Model name? EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005 Stoichiometric species (literal list of strings)? ['Al', 'Mg'] Prototype label? A14B13_cI54_229_ef_ah Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Query result (literal list of dicts)? [{'instance-id': 2, 'a.si-value': 1.02232e-09, 'parameter-names.source-value': ['x2', 'x3', 'y4'], 'parameter-values.source-value': [0.30727607, 0.82899424, 0.66267945], 'meta.uuid': 'TE_600340390354_002-and-MO_658278549784_005-1710527999-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Mg', 'Mg'] representative atom coordinates = [[0.30727607 0. 0. ] [0.32899424 0.32899424 0.32899424] [0. 0. 0. ] [0. 0.66267945 0.66267945]] spacegroup = 229 cell = [[10.2232, 0, 0], [0, 10.2232, 0], [0, 0, 10.2232]] ========================================= E L A S T I C C O N S T A N T C A L C U L A T I O N S Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.60662439e-02 5.13990868e-13 -5.94305963e-12] [ 6.60662439e-02 1.97925010e-13 -3.52728957e-12] [-3.48235503e-12 2.38584921e-02 -5.64016975e-12] [ 5.60571034e-12 -2.38584921e-02 2.67905143e-12] [-5.51307654e-12 1.71131121e-12 2.38584922e-02] [ 5.24580379e-14 1.04125042e-12 -2.38584922e-02] [-6.60662439e-02 1.60410314e-12 -2.94622229e-12] [ 6.60662439e-02 -1.55290321e-12 -1.57400672e-12] [-3.62968076e-12 2.38584921e-02 -3.69786011e-12] [-1.53061374e-12 -2.38584922e-02 -5.09548408e-12] [ 4.14897587e-12 -6.31169475e-12 2.38584921e-02] [ 1.62176045e-12 -8.61308447e-12 -2.38584922e-02] [-7.32290154e-03 -5.82447796e-02 -5.82447796e-02] [ 7.32290155e-03 5.82447796e-02 -5.82447796e-02] [ 7.32290152e-03 -5.82447796e-02 5.82447796e-02] [-7.32290154e-03 5.82447796e-02 5.82447796e-02] [-7.32290153e-03 -5.82447796e-02 5.82447796e-02] [ 7.32290153e-03 5.82447796e-02 5.82447796e-02] [-7.32290154e-03 5.82447796e-02 -5.82447796e-02] [ 7.32290152e-03 -5.82447796e-02 -5.82447796e-02] [-7.32290155e-03 -5.82447796e-02 -5.82447796e-02] [ 7.32290154e-03 5.82447796e-02 -5.82447796e-02] [ 7.32290154e-03 -5.82447796e-02 5.82447796e-02] [-7.32290155e-03 5.82447796e-02 5.82447796e-02] [-7.32290155e-03 -5.82447796e-02 5.82447796e-02] [ 7.32290154e-03 5.82447796e-02 5.82447796e-02] [-7.32290155e-03 5.82447796e-02 -5.82447796e-02] [ 7.32290155e-03 -5.82447796e-02 -5.82447796e-02] [ 2.02568518e-11 2.90403812e-11 1.55142010e-11] [ 1.00903773e-11 1.10042089e-13 1.26653047e-11] [-7.42206296e-12 -2.80953391e-02 -2.80953390e-02] [-1.51396881e-11 2.80953391e-02 -2.80953391e-02] [-1.65097727e-11 -2.80953390e-02 2.80953391e-02] [-5.79663054e-13 2.80953391e-02 2.80953391e-02] [-1.37723151e-02 -9.52815604e-12 -2.37967945e-02] [-1.37723151e-02 -5.84252438e-12 2.37967945e-02] [ 1.37723151e-02 -1.51169060e-11 -2.37967946e-02] [ 1.37723151e-02 -1.58624470e-13 2.37967946e-02] [-1.37723151e-02 -2.37967946e-02 2.36323183e-11] [ 1.37723150e-02 -2.37967946e-02 2.30605864e-11] [-1.37723151e-02 2.37967945e-02 1.04229342e-11] [ 1.37723151e-02 2.37967945e-02 1.39915588e-11] [ 1.08616054e-12 -2.80953391e-02 -2.80953391e-02] [ 5.64127149e-12 2.80953391e-02 -2.80953390e-02] [ 3.93395253e-12 -2.80953391e-02 2.80953391e-02] [ 7.14900795e-12 2.80953392e-02 2.80953390e-02] [-1.37723151e-02 7.87304976e-12 -2.37967946e-02] [-1.37723151e-02 3.79346761e-11 2.37967946e-02] [ 1.37723151e-02 6.97963388e-12 -2.37967946e-02] [ 1.37723151e-02 7.56250878e-12 2.37967945e-02] [-1.37723151e-02 -2.37967946e-02 -4.98167782e-12] [ 1.37723151e-02 -2.37967946e-02 -6.30916928e-12] [-1.37723151e-02 2.37967946e-02 -6.49316717e-12] [ 1.37723151e-02 2.37967945e-02 -1.93576921e-11]] Final stress: [-7.48567056e-04 -8.84655562e-04 -8.84655562e-04 2.25351214e-14 -4.03410600e-15 -8.64023692e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.88279870e-03 2.80804026e-14 4.10171029e-14] [-1.88279870e-03 2.05252482e-13 -2.05946371e-14] [-5.43662337e-15 1.88279870e-03 -7.60676244e-15] [-1.16129328e-13 -1.88279870e-03 -4.05231404e-14] [-6.53791257e-14 7.09193988e-14 5.91096771e-04] [-1.03084208e-13 -1.40720768e-14 -5.91096772e-04] [ 1.88279870e-03 1.12504190e-13 -9.42826046e-14] [-1.88279870e-03 7.32326526e-14 -5.51462065e-14] [-3.04057994e-14 1.88279870e-03 -8.65278287e-14] [ 2.85505126e-14 -1.88279870e-03 1.63578841e-13] [ 1.19882403e-14 -2.38501947e-15 5.91096771e-04] [-3.85117285e-14 4.95560258e-14 -5.91096771e-04] [-1.77524031e-05 -1.77524030e-05 6.80725812e-04] [ 1.77524029e-05 1.77524029e-05 6.80725812e-04] [ 1.77524029e-05 -1.77524031e-05 -6.80725812e-04] [-1.77524029e-05 1.77524028e-05 -6.80725812e-04] [-1.77524030e-05 -1.77524029e-05 -6.80725812e-04] [ 1.77524028e-05 1.77524029e-05 -6.80725812e-04] [-1.77524029e-05 1.77524029e-05 6.80725812e-04] [ 1.77524030e-05 -1.77524030e-05 6.80725812e-04] [-1.77524029e-05 -1.77524033e-05 6.80725812e-04] [ 1.77524030e-05 1.77524031e-05 6.80725812e-04] [ 1.77524030e-05 -1.77524031e-05 -6.80725812e-04] [-1.77524030e-05 1.77524029e-05 -6.80725812e-04] [-1.77524030e-05 -1.77524031e-05 -6.80725812e-04] [ 1.77524028e-05 1.77524029e-05 -6.80725813e-04] [-1.77524030e-05 1.77524030e-05 6.80725812e-04] [ 1.77524030e-05 -1.77524030e-05 6.80725812e-04] [ 2.62317945e-13 3.82721632e-13 1.69642078e-13] [-1.15665724e-13 2.22024254e-13 2.86060268e-13] [-2.73669976e-13 1.11007843e-04 -1.05567671e-05] [-1.32394096e-13 -1.11007844e-04 -1.05567685e-05] [-4.28483637e-13 1.11007842e-04 1.05567660e-05] [-2.02438760e-13 -1.11007843e-04 1.05567675e-05] [ 1.11007846e-04 2.47468712e-13 -1.05567705e-05] [ 1.11007845e-04 -2.17716470e-13 1.05567689e-05] [-1.11007847e-04 -2.73501707e-13 -1.05567712e-05] [-1.11007845e-04 -6.31146177e-13 1.05567697e-05] [-4.24106418e-04 -4.24106416e-04 -7.72271136e-13] [ 4.24106417e-04 -4.24106416e-04 -3.89686547e-13] [-4.24106418e-04 4.24106416e-04 -4.61623795e-13] [ 4.24106417e-04 4.24106417e-04 -4.08581155e-13] [ 5.82969437e-13 1.11007844e-04 -1.05567690e-05] [-4.28129754e-15 -1.11007844e-04 -1.05567688e-05] [ 6.09739256e-13 1.11007846e-04 1.05567700e-05] [ 2.37874824e-13 -1.11007846e-04 1.05567705e-05] [ 1.11007843e-04 1.32720654e-13 -1.05567672e-05] [ 1.11007844e-04 1.82811665e-13 1.05567682e-05] [-1.11007843e-04 2.96773890e-13 -1.05567668e-05] [-1.11007844e-04 3.50331743e-13 1.05567682e-05] [-4.24106416e-04 -4.24106418e-04 6.57570355e-13] [ 4.24106416e-04 -4.24106418e-04 6.90568171e-13] [-4.24106414e-04 4.24106420e-04 6.09251229e-13] [ 4.24106415e-04 4.24106419e-04 5.48170016e-13]] Final stress: [ 2.39910439e-05 2.39910439e-05 1.04392900e-04 -2.01125972e-16 -2.49329718e-17 -3.65683586e-17] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.41632668e-03 3.20550878e-14 9.39144595e-14] [ 2.41632668e-03 -3.25017790e-14 1.30173650e-13] [-2.73154329e-13 -2.41632668e-03 4.29599932e-14] [-1.60954583e-13 2.41632668e-03 1.61815006e-13] [-1.69965604e-13 -2.55481400e-14 -7.39425969e-04] [-3.43836071e-13 -1.18322019e-13 7.39425969e-04] [-2.41632668e-03 -1.54259418e-13 9.45825534e-14] [ 2.41632668e-03 2.25210042e-13 8.56045953e-15] [ 8.71811304e-14 -2.41632668e-03 3.28687181e-14] [-6.34518479e-14 2.41632668e-03 -1.02174029e-13] [-6.67738434e-15 -1.41909504e-13 -7.39425969e-04] [ 6.58761240e-14 -1.43166063e-13 7.39425969e-04] [ 2.41290533e-05 2.41290530e-05 -8.46788151e-04] [-2.41290528e-05 -2.41290524e-05 -8.46788151e-04] [-2.41290527e-05 2.41290531e-05 8.46788152e-04] [ 2.41290528e-05 -2.41290525e-05 8.46788151e-04] [ 2.41290530e-05 2.41290531e-05 8.46788151e-04] [-2.41290525e-05 -2.41290524e-05 8.46788151e-04] [ 2.41290530e-05 -2.41290527e-05 -8.46788151e-04] [-2.41290529e-05 2.41290533e-05 -8.46788151e-04] [ 2.41290531e-05 2.41290530e-05 -8.46788152e-04] [-2.41290525e-05 -2.41290530e-05 -8.46788151e-04] [-2.41290528e-05 2.41290530e-05 8.46788151e-04] [ 2.41290533e-05 -2.41290527e-05 8.46788151e-04] [ 2.41290530e-05 2.41290531e-05 8.46788151e-04] [-2.41290528e-05 -2.41290530e-05 8.46788151e-04] [ 2.41290534e-05 -2.41290525e-05 -8.46788151e-04] [-2.41290525e-05 2.41290532e-05 -8.46788151e-04] [-1.13770104e-13 -1.70252701e-13 3.74672515e-13] [-4.54912150e-13 -8.62476194e-13 -3.75414746e-13] [-1.06581410e-14 -8.31548392e-05 1.06547629e-04] [-1.22900995e-12 8.31548360e-05 1.06547625e-04] [ 3.97383515e-13 -8.31548391e-05 -1.06547629e-04] [-8.74213896e-13 8.31548362e-05 -1.06547626e-04] [-8.31548371e-05 -1.92723615e-12 1.06547626e-04] [-8.31548361e-05 -2.39164764e-12 -1.06547626e-04] [ 8.31548371e-05 -6.78748724e-13 1.06547627e-04] [ 8.31548361e-05 -8.88976392e-13 -1.06547626e-04] [ 6.27319525e-04 6.27319524e-04 2.26929586e-13] [-6.27319526e-04 6.27319524e-04 -3.51385587e-14] [ 6.27319526e-04 -6.27319524e-04 6.57356114e-13] [-6.27319526e-04 -6.27319523e-04 1.42458961e-13] [-1.14309170e-13 -8.31548366e-05 1.06547626e-04] [ 3.80220161e-13 8.31548371e-05 1.06547627e-04] [-1.87633329e-13 -8.31548380e-05 -1.06547628e-04] [ 2.24289771e-13 8.31548381e-05 -1.06547628e-04] [-8.31548364e-05 4.33540303e-13 1.06547626e-04] [-8.31548360e-05 2.62226438e-13 -1.06547626e-04] [ 8.31548368e-05 -9.46638601e-14 1.06547627e-04] [ 8.31548368e-05 1.04648495e-13 -1.06547627e-04] [ 6.27319524e-04 6.27319525e-04 -2.02201663e-13] [-6.27319523e-04 6.27319526e-04 9.27741702e-14] [ 6.27319527e-04 -6.27319523e-04 -1.16193730e-13] [-6.27319529e-04 -6.27319521e-04 -1.02436722e-13]] Final stress: [-2.05583356e-05 -2.05583356e-05 -1.15071565e-04 6.65145253e-17 1.66286313e-16 -5.78676370e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.60135223e-03 1.13885897e-13 -1.47517415e-13] [-1.60135223e-03 -1.10800258e-13 -3.69149156e-14] [ 3.08125921e-14 4.64062319e-04 1.15656616e-13] [ 5.87307980e-14 -4.64062318e-04 9.05664432e-14] [-7.00151742e-14 6.30294428e-14 1.60135223e-03] [-7.22200078e-14 -9.40358902e-14 -1.60135223e-03] [ 1.60135223e-03 1.05955175e-13 9.88407246e-14] [-1.60135223e-03 1.19994726e-13 -1.29734583e-13] [-2.31190934e-14 4.64062318e-04 6.84573870e-14] [-6.17912839e-14 -4.64062319e-04 2.61962331e-14] [-4.38460032e-14 2.18821756e-14 1.60135223e-03] [ 1.97928479e-13 5.08719385e-14 -1.60135223e-03] [-1.37790518e-05 6.00293884e-04 -1.37790518e-05] [ 1.37790515e-05 -6.00293885e-04 -1.37790518e-05] [ 1.37790518e-05 6.00293885e-04 1.37790517e-05] [-1.37790515e-05 -6.00293885e-04 1.37790513e-05] [-1.37790517e-05 6.00293884e-04 1.37790515e-05] [ 1.37790515e-05 -6.00293885e-04 1.37790515e-05] [-1.37790519e-05 -6.00293885e-04 -1.37790516e-05] [ 1.37790517e-05 6.00293884e-04 -1.37790518e-05] [-1.37790515e-05 6.00293885e-04 -1.37790517e-05] [ 1.37790517e-05 -6.00293885e-04 -1.37790516e-05] [ 1.37790515e-05 6.00293884e-04 1.37790516e-05] [-1.37790519e-05 -6.00293885e-04 1.37790519e-05] [-1.37790518e-05 6.00293884e-04 1.37790517e-05] [ 1.37790516e-05 -6.00293885e-04 1.37790519e-05] [-1.37790518e-05 -6.00293885e-04 -1.37790521e-05] [ 1.37790515e-05 6.00293885e-04 -1.37790514e-05] [ 8.95700181e-13 -2.36338726e-13 -2.25708341e-13] [ 3.42850314e-13 6.30754452e-13 6.13932838e-13] [-1.14119825e-12 -4.68257616e-06 1.45016223e-04] [-1.18390020e-12 4.68257697e-06 1.45016224e-04] [ 1.94042699e-13 -4.68257496e-06 -1.45016222e-04] [ 3.16186313e-13 4.68257551e-06 -1.45016222e-04] [-3.54824211e-04 6.40154596e-13 -3.54824211e-04] [-3.54824212e-04 5.63823294e-13 3.54824211e-04] [ 3.54824211e-04 6.27197946e-13 -3.54824212e-04] [ 3.54824212e-04 5.55014368e-13 3.54824211e-04] [ 1.45016221e-04 -4.68257422e-06 1.32571731e-12] [-1.45016223e-04 -4.68257607e-06 -2.50303250e-14] [ 1.45016222e-04 4.68257576e-06 1.18346305e-12] [-1.45016223e-04 4.68257695e-06 2.03777967e-14] [ 2.84997720e-13 -4.68257627e-06 1.45016223e-04] [ 6.95802357e-13 4.68257544e-06 1.45016222e-04] [ 2.54341253e-13 -4.68257649e-06 -1.45016223e-04] [ 5.95923050e-13 4.68257547e-06 -1.45016222e-04] [-3.54824211e-04 -2.99504345e-13 -3.54824212e-04] [-3.54824211e-04 -3.31693223e-13 3.54824212e-04] [ 3.54824211e-04 -4.17742230e-13 -3.54824212e-04] [ 3.54824214e-04 -7.00792722e-13 3.54824209e-04] [ 1.45016223e-04 -4.68257620e-06 -3.48269025e-14] [-1.45016223e-04 -4.68257614e-06 -1.17684813e-13] [ 1.45016222e-04 4.68257563e-06 2.34811526e-14] [-1.45016222e-04 4.68257537e-06 1.26234960e-13]] Final stress: [ 2.62274857e-05 9.92482195e-05 2.62274857e-05 2.11099161e-16 -0.00000000e+00 1.82841793e-16] Minimization converged after 37 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.55809195e-03 1.37436503e-13 -1.13097465e-13] [ 2.55809195e-03 1.17433840e-13 4.06064071e-14] [-8.82935218e-14 -8.30499578e-04 4.28394299e-14] [-1.92235117e-13 8.30499578e-04 3.74700271e-15] [ 5.56854909e-14 3.52599894e-14 -2.55809195e-03] [-1.42247325e-13 1.00114361e-13 2.55809195e-03] [-2.55809195e-03 -1.25104354e-13 4.41515848e-14] [ 2.55809195e-03 -1.09261124e-13 -1.97455768e-13] [ 4.12560611e-14 -8.30499579e-04 5.56385254e-14] [-4.48963783e-14 8.30499578e-04 1.26980756e-13] [-2.26030999e-13 -8.65779201e-14 -2.55809195e-03] [ 1.47485756e-13 2.50139236e-14 2.55809195e-03] [ 2.36879697e-05 -8.85182512e-04 2.36879698e-05] [-2.36879702e-05 8.85182512e-04 2.36879702e-05] [-2.36879701e-05 -8.85182512e-04 -2.36879703e-05] [ 2.36879702e-05 8.85182512e-04 -2.36879701e-05] [ 2.36879700e-05 -8.85182511e-04 -2.36879702e-05] [-2.36879703e-05 8.85182512e-04 -2.36879703e-05] [ 2.36879702e-05 8.85182512e-04 2.36879700e-05] [-2.36879700e-05 -8.85182512e-04 2.36879701e-05] [ 2.36879705e-05 -8.85182511e-04 2.36879701e-05] [-2.36879700e-05 8.85182511e-04 2.36879704e-05] [-2.36879702e-05 -8.85182512e-04 -2.36879699e-05] [ 2.36879699e-05 8.85182512e-04 -2.36879701e-05] [ 2.36879699e-05 -8.85182512e-04 -2.36879701e-05] [-2.36879698e-05 8.85182511e-04 -2.36879697e-05] [ 2.36879704e-05 8.85182512e-04 2.36879699e-05] [-2.36879702e-05 -8.85182512e-04 2.36879703e-05] [ 1.10522702e-13 -1.28452804e-13 -5.54639668e-13] [ 3.63076322e-13 2.10195143e-13 2.43090845e-13] [-2.21378471e-13 -3.49049537e-05 3.77822367e-05] [-1.05233010e-12 3.49049547e-05 3.77822376e-05] [ 1.15152332e-12 -3.49049522e-05 -3.77822352e-05] [ 6.39436420e-13 3.49049536e-05 -3.77822366e-05] [ 6.62280567e-04 4.09450251e-13 6.62280568e-04] [ 6.62280567e-04 5.24158841e-13 -6.62280568e-04] [-6.62280565e-04 1.00327038e-12 6.62280569e-04] [-6.62280567e-04 1.60518300e-12 -6.62280568e-04] [ 3.77822389e-05 -3.49049563e-05 1.63991043e-12] [-3.77822385e-05 -3.49049557e-05 -4.12569284e-14] [ 3.77822404e-05 3.49049575e-05 1.15232129e-12] [-3.77822400e-05 3.49049569e-05 -1.03739933e-13] [ 1.95243127e-14 -3.49049565e-05 3.77822395e-05] [ 3.20567791e-13 3.49049544e-05 3.77822375e-05] [-5.33027181e-13 -3.49049572e-05 -3.77822398e-05] [-6.44412041e-13 3.49049558e-05 -3.77822389e-05] [ 6.62280569e-04 -7.73709029e-13 6.62280566e-04] [ 6.62280569e-04 -3.88279686e-13 -6.62280566e-04] [-6.62280571e-04 -5.09616221e-13 6.62280564e-04] [-6.62280568e-04 -4.32796594e-13 -6.62280567e-04] [ 3.77822378e-05 -3.49049546e-05 -9.41355746e-13] [-3.77822374e-05 -3.49049542e-05 1.98851887e-13] [ 3.77822355e-05 3.49049525e-05 -8.97233141e-13] [-3.77822369e-05 3.49049538e-05 -1.35080315e-13]] Final stress: [-1.93570461e-05 -1.16704951e-04 -1.93570461e-05 -3.29246900e-16 3.32572626e-17 1.62960587e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.44504425e-03 -3.51927688e-14 1.14106207e-13] [-7.44504425e-03 -1.40026879e-13 9.73388037e-14] [ 2.97502040e-13 2.71322756e-03 4.36721228e-03] [-1.15463195e-13 -2.71322756e-03 -4.36721228e-03] [-7.74918324e-14 4.36721228e-03 2.71322756e-03] [-2.91877633e-13 -4.36721228e-03 -2.71322756e-03] [ 7.44504425e-03 3.45016116e-13 1.28935382e-13] [-7.44504425e-03 2.69749934e-13 -5.07300726e-14] [-1.87109009e-13 2.71322756e-03 4.36721228e-03] [-3.82673927e-13 -2.71322756e-03 -4.36721228e-03] [-4.47913408e-13 4.36721228e-03 2.71322756e-03] [ 3.22704537e-13 -4.36721228e-03 -2.71322756e-03] [ 6.22010475e-03 6.38508129e-04 6.38508128e-04] [ 8.58009151e-03 -2.79817715e-03 2.79817715e-03] [ 8.58009151e-03 2.79817715e-03 -2.79817715e-03] [ 6.22010475e-03 -6.38508129e-04 -6.38508129e-04] [-8.58009151e-03 2.79817715e-03 -2.79817715e-03] [-6.22010475e-03 -6.38508129e-04 -6.38508129e-04] [-8.58009151e-03 -2.79817715e-03 2.79817715e-03] [-6.22010475e-03 6.38508129e-04 6.38508128e-04] [ 6.22010475e-03 6.38508129e-04 6.38508128e-04] [ 8.58009151e-03 -2.79817715e-03 2.79817715e-03] [ 8.58009151e-03 2.79817715e-03 -2.79817715e-03] [ 6.22010475e-03 -6.38508128e-04 -6.38508129e-04] [-8.58009151e-03 2.79817715e-03 -2.79817715e-03] [-6.22010475e-03 -6.38508129e-04 -6.38508129e-04] [-8.58009151e-03 -2.79817715e-03 2.79817715e-03] [-6.22010475e-03 6.38508128e-04 6.38508129e-04] [ 1.72312165e-12 7.58282326e-13 -2.27595720e-13] [ 2.06975062e-13 -4.38919202e-13 1.49338498e-12] [-9.65449942e-13 7.16593345e-03 7.16593344e-03] [-4.97492672e-13 2.26250969e-03 -2.26250970e-03] [ 1.16894862e-12 -2.26250969e-03 2.26250970e-03] [ 6.78767806e-13 -7.16593345e-03 -7.16593344e-03] [ 1.22724187e-03 3.81515875e-03 -8.62173935e-04] [ 1.22724187e-03 -3.81515875e-03 8.62173935e-04] [-1.22724187e-03 3.81515875e-03 -8.62173936e-04] [-1.22724187e-03 -3.81515875e-03 8.62173936e-04] [ 1.22724187e-03 -8.62173942e-04 3.81515876e-03] [-1.22724187e-03 -8.62173943e-04 3.81515875e-03] [ 1.22724188e-03 8.62173944e-04 -3.81515875e-03] [-1.22724188e-03 8.62173946e-04 -3.81515875e-03] [ 8.11628976e-13 7.16593344e-03 7.16593345e-03] [ 7.75213661e-13 2.26250970e-03 -2.26250969e-03] [ 2.64491987e-13 -2.26250970e-03 2.26250969e-03] [ 2.85486045e-13 -7.16593344e-03 -7.16593345e-03] [ 1.22724188e-03 3.81515875e-03 -8.62173944e-04] [ 1.22724188e-03 -3.81515875e-03 8.62173945e-04] [-1.22724188e-03 3.81515875e-03 -8.62173945e-04] [-1.22724187e-03 -3.81515875e-03 8.62173941e-04] [ 1.22724187e-03 -8.62173935e-04 3.81515875e-03] [-1.22724187e-03 -8.62173935e-04 3.81515875e-03] [ 1.22724187e-03 8.62173935e-04 -3.81515876e-03] [-1.22724187e-03 8.62173936e-04 -3.81515875e-03]] Final stress: [-2.00518407e-04 8.78304239e-05 8.78304239e-05 9.08996999e-05 -8.97676752e-17 3.90655624e-16] Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.71819870e-04 -5.58364119e-15 -1.71997833e-15] [ 5.71819870e-04 2.22877272e-14 5.68989300e-15] [ 1.48444625e-14 -1.28949374e-04 -1.26181888e-04] [ 3.71924713e-15 1.28949374e-04 1.26181888e-04] [-5.66300479e-15 -1.26181888e-04 -1.28949374e-04] [-9.74220704e-15 1.26181888e-04 1.28949374e-04] [-5.71819870e-04 1.75202734e-14 1.18701191e-14] [ 5.71819870e-04 1.86135829e-15 -1.12319180e-14] [-4.93745669e-15 -1.28949374e-04 -1.26181888e-04] [ 1.83100063e-15 1.28949374e-04 1.26181888e-04] [-1.94939551e-14 -1.26181888e-04 -1.28949374e-04] [-6.18125343e-15 1.26181888e-04 1.28949374e-04] [ 4.59653399e-04 -1.19066490e-04 -1.19066490e-04] [ 1.74677455e-04 2.13596931e-04 -2.13596931e-04] [ 1.74677455e-04 -2.13596931e-04 2.13596931e-04] [ 4.59653399e-04 1.19066490e-04 1.19066490e-04] [-1.74677455e-04 -2.13596931e-04 2.13596931e-04] [-4.59653399e-04 1.19066490e-04 1.19066490e-04] [-1.74677455e-04 2.13596931e-04 -2.13596931e-04] [-4.59653399e-04 -1.19066490e-04 -1.19066490e-04] [ 4.59653399e-04 -1.19066490e-04 -1.19066490e-04] [ 1.74677455e-04 2.13596931e-04 -2.13596931e-04] [ 1.74677455e-04 -2.13596931e-04 2.13596931e-04] [ 4.59653399e-04 1.19066490e-04 1.19066490e-04] [-1.74677455e-04 -2.13596931e-04 2.13596931e-04] [-4.59653399e-04 1.19066490e-04 1.19066490e-04] [-1.74677455e-04 2.13596931e-04 -2.13596931e-04] [-4.59653399e-04 -1.19066490e-04 -1.19066490e-04] [ 1.41192613e-13 -2.47302179e-14 -4.03288514e-14] [ 1.45248397e-14 1.44753732e-14 2.95597546e-14] [-1.15463195e-14 1.26443008e-04 1.26443008e-04] [ 2.64163691e-14 7.15005322e-04 -7.15005323e-04] [ 1.03545644e-14 -7.15005322e-04 7.15005323e-04] [ 9.96598637e-14 -1.26443008e-04 -1.26443008e-04] [ 1.47758974e-04 1.83690242e-04 -1.35020500e-04] [ 1.47758974e-04 -1.83690242e-04 1.35020500e-04] [-1.47758974e-04 1.83690242e-04 -1.35020500e-04] [-1.47758975e-04 -1.83690242e-04 1.35020500e-04] [ 1.47758975e-04 -1.35020500e-04 1.83690242e-04] [-1.47758975e-04 -1.35020500e-04 1.83690242e-04] [ 1.47758975e-04 1.35020501e-04 -1.83690242e-04] [-1.47758975e-04 1.35020501e-04 -1.83690242e-04] [ 5.07979075e-14 1.26443008e-04 1.26443008e-04] [ 4.93663270e-14 7.15005323e-04 -7.15005323e-04] [ 7.41286373e-14 -7.15005323e-04 7.15005322e-04] [-2.24256377e-15 -1.26443008e-04 -1.26443008e-04] [ 1.47758975e-04 1.83690242e-04 -1.35020501e-04] [ 1.47758975e-04 -1.83690242e-04 1.35020500e-04] [-1.47758975e-04 1.83690242e-04 -1.35020501e-04] [-1.47758975e-04 -1.83690242e-04 1.35020500e-04] [ 1.47758974e-04 -1.35020500e-04 1.83690242e-04] [-1.47758974e-04 -1.35020500e-04 1.83690242e-04] [ 1.47758974e-04 1.35020500e-04 -1.83690242e-04] [-1.47758974e-04 1.35020500e-04 -1.83690242e-04]] Final stress: [ 6.73119364e-06 -3.84283555e-05 -3.84283555e-05 4.50260874e-05 -4.98809058e-18 1.49642718e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.70592057e-04 -8.40039843e-16 1.08606700e-14] [ 5.70592057e-04 -8.54871729e-15 -1.79856130e-14] [ 3.79037080e-16 -1.31311668e-04 1.23224083e-04] [-9.79771819e-15 1.31311668e-04 -1.23224083e-04] [-1.90095335e-14 1.23224083e-04 -1.31311668e-04] [-5.55111512e-16 -1.23224083e-04 1.31311668e-04] [-5.70592058e-04 -9.29768415e-15 -1.02306753e-14] [ 5.70592057e-04 7.01001757e-15 2.25079600e-14] [ 6.56419363e-15 -1.31311668e-04 1.23224083e-04] [-9.65980768e-15 1.31311668e-04 -1.23224083e-04] [ 9.59432186e-15 1.23224083e-04 -1.31311668e-04] [-6.54381063e-15 -1.23224083e-04 1.31311668e-04] [-1.76348797e-04 -2.12751030e-04 -2.12751030e-04] [-4.61053617e-04 1.19054465e-04 -1.19054465e-04] [-4.61053617e-04 -1.19054465e-04 1.19054465e-04] [-1.76348797e-04 2.12751030e-04 2.12751030e-04] [ 4.61053617e-04 -1.19054465e-04 1.19054465e-04] [ 1.76348797e-04 2.12751030e-04 2.12751030e-04] [ 4.61053617e-04 1.19054465e-04 -1.19054465e-04] [ 1.76348797e-04 -2.12751030e-04 -2.12751030e-04] [-1.76348797e-04 -2.12751030e-04 -2.12751030e-04] [-4.61053617e-04 1.19054465e-04 -1.19054465e-04] [-4.61053617e-04 -1.19054465e-04 1.19054465e-04] [-1.76348797e-04 2.12751030e-04 2.12751030e-04] [ 4.61053617e-04 -1.19054465e-04 1.19054465e-04] [ 1.76348797e-04 2.12751030e-04 2.12751030e-04] [ 4.61053617e-04 1.19054465e-04 -1.19054465e-04] [ 1.76348797e-04 -2.12751030e-04 -2.12751030e-04] [ 4.96824804e-15 -4.86555241e-14 1.11299858e-13] [ 9.21983843e-14 3.49386587e-14 -1.26028874e-13] [ 1.42885703e-13 -7.15618874e-04 -7.15618874e-04] [ 7.50129125e-14 -1.25688784e-04 1.25688784e-04] [ 8.79452761e-14 1.25688784e-04 -1.25688784e-04] [ 1.20806143e-14 7.15618874e-04 7.15618873e-04] [ 1.68232004e-04 -1.82432745e-04 -1.53330607e-04] [ 1.68232005e-04 1.82432745e-04 1.53330607e-04] [-1.68232004e-04 -1.82432745e-04 -1.53330607e-04] [-1.68232004e-04 1.82432745e-04 1.53330607e-04] [ 1.68232004e-04 -1.53330607e-04 -1.82432745e-04] [-1.68232004e-04 -1.53330607e-04 -1.82432745e-04] [ 1.68232004e-04 1.53330607e-04 1.82432745e-04] [-1.68232004e-04 1.53330607e-04 1.82432745e-04] [-6.60855919e-14 -7.15618874e-04 -7.15618874e-04] [-6.17513853e-14 -1.25688784e-04 1.25688784e-04] [ 3.74839049e-14 1.25688784e-04 -1.25688784e-04] [ 3.04066668e-14 7.15618874e-04 7.15618874e-04] [ 1.68232004e-04 -1.82432745e-04 -1.53330607e-04] [ 1.68232004e-04 1.82432745e-04 1.53330607e-04] [-1.68232004e-04 -1.82432745e-04 -1.53330607e-04] [-1.68232004e-04 1.82432745e-04 1.53330607e-04] [ 1.68232005e-04 -1.53330607e-04 -1.82432745e-04] [-1.68232005e-04 -1.53330607e-04 -1.82432745e-04] [ 1.68232004e-04 1.53330607e-04 1.82432745e-04] [-1.68232005e-04 1.53330607e-04 1.82432745e-04]] Final stress: [ 6.64255305e-06 -3.84020439e-05 -3.84020439e-05 -4.50548733e-05 6.65078745e-18 6.65078745e-18] Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.31616786e-03 -4.95779633e-14 -1.67430910e-04] [-2.31616786e-03 2.18991492e-14 1.67430911e-04] [-5.82988519e-14 3.46660749e-04 -1.05302919e-13] [ 6.98330282e-14 -3.46660749e-04 6.83619827e-14] [-1.72877299e-04 -6.36799641e-14 3.58800173e-04] [ 1.72877299e-04 -6.50035581e-14 -3.58800174e-04] [ 2.31616786e-03 5.48762424e-14 -1.67430910e-04] [-2.31616786e-03 5.95899198e-14 1.67430910e-04] [-3.55188969e-14 3.46660749e-04 -6.07571863e-15] [-4.60417295e-14 -3.46660749e-04 9.61901431e-14] [-1.72877300e-04 2.82166859e-14 3.58800173e-04] [ 1.72877299e-04 -1.33100831e-14 -3.58800174e-04] [-2.56735864e-04 -9.01147144e-04 7.80267978e-04] [ 4.51595533e-04 -2.25042563e-03 5.80224647e-04] [ 2.56735864e-04 -9.01147144e-04 -7.80267978e-04] [-4.51595533e-04 -2.25042563e-03 -5.80224647e-04] [-4.51595533e-04 2.25042563e-03 -5.80224647e-04] [ 2.56735864e-04 9.01147144e-04 -7.80267978e-04] [-2.56735864e-04 9.01147144e-04 7.80267978e-04] [ 4.51595533e-04 2.25042563e-03 5.80224647e-04] [-2.56735864e-04 -9.01147144e-04 7.80267978e-04] [ 4.51595533e-04 -2.25042563e-03 5.80224647e-04] [ 2.56735864e-04 -9.01147144e-04 -7.80267978e-04] [-4.51595533e-04 -2.25042563e-03 -5.80224647e-04] [-4.51595533e-04 2.25042563e-03 -5.80224647e-04] [ 2.56735864e-04 9.01147144e-04 -7.80267978e-04] [-2.56735864e-04 9.01147144e-04 7.80267978e-04] [ 4.51595533e-04 2.25042563e-03 5.80224647e-04] [ 4.29267732e-13 -4.17693657e-13 5.59136071e-13] [-1.67196118e-13 -3.12384487e-13 4.13182334e-13] [-1.32294380e-03 1.08465754e-03 1.08682380e-03] [-1.32294380e-03 -1.08465754e-03 1.08682379e-03] [ 1.32294380e-03 1.08465754e-03 -1.08682380e-03] [ 1.32294380e-03 -1.08465754e-03 -1.08682379e-03] [-1.36814682e-03 3.21964677e-15 -1.54779638e-03] [ 1.93516634e-03 -3.61724539e-13 -1.75575600e-03] [-1.93516634e-03 3.12614518e-14 1.75575600e-03] [ 1.36814682e-03 -4.41603351e-13 1.54779638e-03] [ 2.82295397e-04 1.00659200e-04 -1.31569580e-03] [-2.82295397e-04 1.00659200e-04 1.31569580e-03] [ 2.82295398e-04 -1.00659199e-04 -1.31569580e-03] [-2.82295398e-04 -1.00659199e-04 1.31569580e-03] [-1.32294380e-03 1.08465754e-03 1.08682379e-03] [-1.32294380e-03 -1.08465754e-03 1.08682379e-03] [ 1.32294380e-03 1.08465754e-03 -1.08682379e-03] [ 1.32294380e-03 -1.08465754e-03 -1.08682379e-03] [-1.36814682e-03 8.43098553e-15 -1.54779638e-03] [ 1.93516634e-03 -1.35016998e-13 -1.75575600e-03] [-1.93516634e-03 -7.38142186e-14 1.75575600e-03] [ 1.36814682e-03 -6.10810881e-13 1.54779638e-03] [ 2.82295397e-04 1.00659199e-04 -1.31569580e-03] [-2.82295396e-04 1.00659200e-04 1.31569580e-03] [ 2.82295398e-04 -1.00659198e-04 -1.31569580e-03] [-2.82295398e-04 -1.00659199e-04 1.31569580e-03]] Final stress: [-6.82767075e-05 4.93832237e-05 4.95147481e-05 -2.69303026e-16 -4.69603679e-05 -2.49354653e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.61732801e-03 6.04117451e-14 2.88264323e-03] [ 4.61732801e-03 6.73350264e-14 -2.88264323e-03] [ 9.23362949e-14 -1.77386898e-03 6.40117299e-14] [ 1.05498943e-13 1.77386898e-03 4.99600361e-14] [ 2.90160419e-03 -1.73523088e-13 -1.74136410e-03] [-2.90160419e-03 9.24260668e-15 1.74136410e-03] [-4.61732801e-03 8.63488968e-14 2.88264323e-03] [ 4.61732801e-03 7.99980741e-14 -2.88264323e-03] [-6.75536016e-14 -1.77386898e-03 2.35728721e-14] [-6.42359430e-14 1.77386898e-03 -1.42991171e-15] [ 2.90160419e-03 6.88064914e-14 -1.74136410e-03] [-2.90160419e-03 1.13467101e-13 1.74136410e-03] [ 3.19368707e-04 3.56499780e-03 -1.73234366e-03] [-1.58704215e-03 5.79121516e-03 -4.50048619e-04] [-3.19368707e-04 3.56499780e-03 1.73234366e-03] [ 1.58704215e-03 5.79121516e-03 4.50048619e-04] [ 1.58704215e-03 -5.79121516e-03 4.50048619e-04] [-3.19368707e-04 -3.56499780e-03 1.73234366e-03] [ 3.19368707e-04 -3.56499780e-03 -1.73234366e-03] [-1.58704215e-03 -5.79121516e-03 -4.50048619e-04] [ 3.19368706e-04 3.56499780e-03 -1.73234366e-03] [-1.58704215e-03 5.79121516e-03 -4.50048619e-04] [-3.19368707e-04 3.56499780e-03 1.73234366e-03] [ 1.58704215e-03 5.79121516e-03 4.50048619e-04] [ 1.58704215e-03 -5.79121516e-03 4.50048619e-04] [-3.19368707e-04 -3.56499780e-03 1.73234366e-03] [ 3.19368707e-04 -3.56499780e-03 -1.73234366e-03] [-1.58704215e-03 -5.79121516e-03 -4.50048619e-04] [ 1.45797263e-12 -4.22162305e-14 8.38079606e-13] [-3.78084283e-13 -6.73626943e-13 -1.51610650e-13] [ 2.08035233e-03 -1.32059153e-03 -1.31648130e-03] [ 2.08035233e-03 1.32059153e-03 -1.31648130e-03] [-2.08035234e-03 -1.32059153e-03 1.31648130e-03] [-2.08035233e-03 1.32059153e-03 1.31648130e-03] [ 2.30406894e-03 1.79856130e-14 4.12838804e-03] [-3.77264247e-03 1.32173786e-13 1.96972211e-03] [ 3.77264246e-03 -2.46080933e-13 -1.96972212e-03] [-2.30406894e-03 -3.57738145e-13 -4.12838804e-03] [-7.36937242e-04 1.07191646e-03 2.10672543e-03] [ 7.36937242e-04 1.07191646e-03 -2.10672543e-03] [-7.36937242e-04 -1.07191646e-03 2.10672543e-03] [ 7.36937242e-04 -1.07191646e-03 -2.10672543e-03] [ 2.08035233e-03 -1.32059153e-03 -1.31648130e-03] [ 2.08035233e-03 1.32059153e-03 -1.31648130e-03] [-2.08035233e-03 -1.32059153e-03 1.31648130e-03] [-2.08035233e-03 1.32059153e-03 1.31648130e-03] [ 2.30406894e-03 -3.01534943e-13 4.12838804e-03] [-3.77264247e-03 -2.86382029e-13 1.96972211e-03] [ 3.77264247e-03 8.64126479e-14 -1.96972211e-03] [-2.30406894e-03 1.47327463e-13 -4.12838804e-03] [-7.36937241e-04 1.07191646e-03 2.10672543e-03] [ 7.36937242e-04 1.07191646e-03 -2.10672543e-03] [-7.36937240e-04 -1.07191646e-03 2.10672543e-03] [ 7.36937243e-04 -1.07191646e-03 -2.10672543e-03]] Final stress: [ 1.19073865e-04 -7.37084603e-05 -7.32406807e-05 -3.65793310e-17 7.49759886e-05 -4.98809058e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.11407167e-03 2.50438992e-13 -1.08105733e-03] [ 6.11407167e-03 -7.61335439e-14 1.08105733e-03] [-2.46740562e-13 -8.79100685e-04 -5.42855691e-14] [ 3.89965837e-14 8.79100685e-04 5.80924198e-14] [-1.11096753e-03 1.47338738e-13 -8.18440060e-04] [ 1.11096753e-03 -1.50102153e-13 8.18440058e-04] [-6.11407167e-03 -7.66144960e-14 -1.08105733e-03] [ 6.11407167e-03 -2.10712524e-14 1.08105733e-03] [ 1.05429988e-13 -8.79100685e-04 1.92939246e-13] [ 8.45716726e-14 8.79100686e-04 -1.42126432e-13] [-1.11096753e-03 -3.58253927e-13 -8.18440059e-04] [ 1.11096753e-03 3.68486405e-13 8.18440059e-04] [ 1.60043709e-03 -6.75818632e-03 -1.36501761e-03] [-5.06121353e-04 -2.92312878e-03 -2.40254792e-03] [-1.60043709e-03 -6.75818632e-03 1.36501761e-03] [ 5.06121352e-04 -2.92312878e-03 2.40254792e-03] [ 5.06121353e-04 2.92312878e-03 2.40254792e-03] [-1.60043709e-03 6.75818632e-03 1.36501761e-03] [ 1.60043709e-03 6.75818632e-03 -1.36501761e-03] [-5.06121353e-04 2.92312878e-03 -2.40254792e-03] [ 1.60043709e-03 -6.75818632e-03 -1.36501761e-03] [-5.06121353e-04 -2.92312878e-03 -2.40254792e-03] [-1.60043709e-03 -6.75818632e-03 1.36501761e-03] [ 5.06121353e-04 -2.92312878e-03 2.40254792e-03] [ 5.06121353e-04 2.92312878e-03 2.40254792e-03] [-1.60043709e-03 6.75818632e-03 1.36501761e-03] [ 1.60043709e-03 6.75818632e-03 -1.36501761e-03] [-5.06121353e-04 2.92312878e-03 -2.40254792e-03] [-1.33940081e-12 -1.11299858e-13 9.71833725e-13] [ 6.85395751e-13 -1.06531965e-12 3.58626847e-15] [-3.95496547e-03 -2.61101131e-03 -2.59080623e-03] [-3.95496547e-03 2.61101131e-03 -2.59080623e-03] [ 3.95496547e-03 -2.61101131e-03 2.59080623e-03] [ 3.95496547e-03 2.61101131e-03 2.59080623e-03] [-5.19475655e-03 -8.60089777e-13 -4.46876702e-03] [ 3.87861336e-03 1.10281576e-12 -4.66013116e-03] [-3.87861336e-03 -1.73475991e-12 4.66013116e-03] [ 5.19475654e-03 3.84844934e-13 4.46876703e-03] [-6.56347826e-04 7.54904870e-05 -4.06170536e-03] [ 6.56347822e-04 7.54904822e-05 4.06170536e-03] [-6.56347825e-04 -7.54904858e-05 -4.06170536e-03] [ 6.56347822e-04 -7.54904828e-05 4.06170536e-03] [-3.95496547e-03 -2.61101131e-03 -2.59080622e-03] [-3.95496547e-03 2.61101131e-03 -2.59080623e-03] [ 3.95496547e-03 -2.61101131e-03 2.59080623e-03] [ 3.95496547e-03 2.61101131e-03 2.59080622e-03] [-5.19475654e-03 6.01997077e-13 -4.46876703e-03] [ 3.87861336e-03 3.28211633e-13 -4.66013115e-03] [-3.87861336e-03 -3.78519698e-13 4.66013116e-03] [ 5.19475654e-03 -1.05925902e-12 4.46876703e-03] [-6.56347827e-04 7.54904874e-05 -4.06170536e-03] [ 6.56347828e-04 7.54904892e-05 4.06170536e-03] [-6.56347825e-04 -7.54904858e-05 -4.06170536e-03] [ 6.56347829e-04 -7.54904897e-05 4.06170536e-03]] Final stress: [ 2.01715180e-04 -8.04385198e-05 -7.96930223e-05 -5.98570870e-17 -5.59441664e-05 9.97618117e-17] Minimization converged after 46 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.85645936e-03 -6.50151963e-04 7.58997899e-14] [-2.85645936e-03 6.50151963e-04 9.42301792e-14] [-6.53888131e-04 6.18678346e-04 9.32934285e-15] [ 6.53888131e-04 -6.18678345e-04 1.94289029e-15] [-4.69168975e-14 2.06943837e-14 6.02560255e-04] [-1.27647892e-13 7.37743200e-14 -6.02560256e-04] [ 2.85645936e-03 -6.50151963e-04 -5.84402620e-14] [-2.85645936e-03 6.50151963e-04 -8.91990360e-14] [-6.53888131e-04 6.18678346e-04 -3.17679405e-14] [ 6.53888131e-04 -6.18678346e-04 -6.77692681e-14] [-2.91724110e-14 1.74406263e-14 6.02560256e-04] [-1.81478096e-13 -1.28323870e-14 -6.02560255e-04] [-2.55309171e-04 9.83377471e-04 -1.39778801e-03] [ 2.55309171e-04 -9.83377471e-04 -1.39778801e-03] [ 6.46465773e-04 5.88074753e-04 -2.95322566e-03] [-6.46465773e-04 -5.88074754e-04 -2.95322566e-03] [-2.55309171e-04 9.83377471e-04 1.39778801e-03] [ 2.55309172e-04 -9.83377471e-04 1.39778801e-03] [-6.46465773e-04 -5.88074754e-04 2.95322566e-03] [ 6.46465773e-04 5.88074754e-04 2.95322566e-03] [-2.55309172e-04 9.83377471e-04 -1.39778801e-03] [ 2.55309171e-04 -9.83377471e-04 -1.39778801e-03] [ 6.46465773e-04 5.88074754e-04 -2.95322566e-03] [-6.46465773e-04 -5.88074754e-04 -2.95322566e-03] [-2.55309171e-04 9.83377471e-04 1.39778801e-03] [ 2.55309171e-04 -9.83377471e-04 1.39778801e-03] [-6.46465773e-04 -5.88074754e-04 2.95322566e-03] [ 6.46465773e-04 5.88074754e-04 2.95322566e-03] [ 1.41803236e-13 -4.76840789e-13 7.96668287e-13] [-4.20953203e-13 -1.01209064e-13 7.50687584e-14] [-1.54324031e-03 1.21274045e-03 1.20993080e-03] [ 1.54324031e-03 -1.21274044e-03 1.20993080e-03] [-1.54324031e-03 1.21274044e-03 -1.20993080e-03] [ 1.54324031e-03 -1.21274044e-03 -1.20993080e-03] [ 4.52262091e-04 -1.53177329e-03 -1.00073047e-04] [ 4.52262089e-04 -1.53177329e-03 1.00073045e-04] [-4.52262092e-04 1.53177329e-03 -1.00073048e-04] [-4.52262090e-04 1.53177329e-03 1.00073047e-04] [-1.52054868e-03 -2.06845875e-03 -9.40914013e-13] [-2.42948271e-03 1.87809369e-03 -3.04511624e-13] [ 2.42948271e-03 -1.87809369e-03 -6.64298477e-13] [ 1.52054868e-03 2.06845875e-03 -1.62592162e-13] [-1.54324031e-03 1.21274044e-03 1.20993080e-03] [ 1.54324031e-03 -1.21274044e-03 1.20993080e-03] [-1.54324031e-03 1.21274044e-03 -1.20993080e-03] [ 1.54324031e-03 -1.21274044e-03 -1.20993080e-03] [ 4.52262091e-04 -1.53177329e-03 -1.00073047e-04] [ 4.52262092e-04 -1.53177329e-03 1.00073047e-04] [-4.52262091e-04 1.53177329e-03 -1.00073047e-04] [-4.52262092e-04 1.53177329e-03 1.00073049e-04] [-1.52054869e-03 -2.06845875e-03 6.91684329e-13] [-2.42948270e-03 1.87809369e-03 6.76060350e-13] [ 2.42948270e-03 -1.87809369e-03 4.88218671e-13] [ 1.52054869e-03 2.06845875e-03 8.13400562e-13]] Final stress: [-8.19336424e-05 5.40119592e-05 5.38122632e-05 -1.28002055e-16 5.31956594e-17 -5.16236629e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[-2.63047809e-02 5.52824822e-02 -7.57530771e-11] [ 2.63047808e-02 -5.52824822e-02 -9.35759803e-11] [ 2.72757316e-02 -2.34933608e-03 1.99959937e-10] [-2.72757312e-02 2.34933606e-03 -8.22845680e-11] [ 1.31009309e-11 2.31869056e-10 -8.57872438e-02] [ 1.82994286e-10 -1.86602622e-10 8.57872439e-02] [-2.63047807e-02 5.52824823e-02 6.66567433e-11] [ 2.63047805e-02 -5.52824822e-02 5.38571907e-11] [ 2.72757313e-02 -2.34933557e-03 -2.43142065e-11] [-2.72757312e-02 2.34933575e-03 1.00854251e-10] [ 1.90643149e-10 -1.56632308e-10 -8.57872436e-02] [ 8.93337839e-11 1.20500633e-10 8.57872439e-02] [-1.04769536e-02 -1.95379753e-02 -7.17171783e-04] [ 1.04769542e-02 1.95379747e-02 -7.17171878e-04] [-1.94672107e-02 -3.38327090e-02 -5.36024332e-02] [ 1.94672102e-02 3.38327089e-02 -5.36024333e-02] [-1.04769539e-02 -1.95379753e-02 7.17171757e-04] [ 1.04769546e-02 1.95379749e-02 7.17171805e-04] [ 1.94672107e-02 3.38327090e-02 5.36024332e-02] [-1.94672105e-02 -3.38327089e-02 5.36024333e-02] [-1.04769541e-02 -1.95379758e-02 -7.17171754e-04] [ 1.04769540e-02 1.95379754e-02 -7.17171838e-04] [-1.94672104e-02 -3.38327090e-02 -5.36024333e-02] [ 1.94672112e-02 3.38327089e-02 -5.36024333e-02] [-1.04769546e-02 -1.95379750e-02 7.17171555e-04] [ 1.04769536e-02 1.95379753e-02 7.17171634e-04] [ 1.94672102e-02 3.38327088e-02 5.36024335e-02] [-1.94672104e-02 -3.38327088e-02 5.36024330e-02] [ 6.14407691e-11 4.05398742e-10 4.51152810e-10] [ 9.03196023e-11 -1.90567205e-10 -1.77201390e-10] [-1.12358376e-02 -1.44937037e-02 -5.36094333e-02] [ 1.12358377e-02 1.44937040e-02 -5.36094333e-02] [-1.12358373e-02 -1.44937036e-02 5.36094338e-02] [ 1.12358374e-02 1.44937037e-02 5.36094332e-02] [ 3.18767912e-03 4.47133312e-02 8.37208521e-03] [ 3.18767954e-03 4.47133309e-02 -8.37208481e-03] [-3.18767965e-03 -4.47133309e-02 8.37208541e-03] [-3.18767961e-03 -4.47133308e-02 -8.37208506e-03] [-5.94239751e-02 -5.41485723e-03 2.74628653e-10] [ 3.83567653e-02 -3.63929673e-02 3.29150202e-10] [-3.83567653e-02 3.63929677e-02 8.93350324e-12] [ 5.94239752e-02 5.41485760e-03 5.92288613e-11] [-1.12358376e-02 -1.44936994e-02 -5.36094371e-02] [ 1.12358377e-02 1.44936989e-02 -5.36094378e-02] [-1.12358374e-02 -1.44937000e-02 5.36094365e-02] [ 1.12358373e-02 1.44936998e-02 5.36094376e-02] [ 3.18767668e-03 4.47133309e-02 8.37208791e-03] [ 3.18767635e-03 4.47133305e-02 -8.37208821e-03] [-3.18767696e-03 -4.47133310e-02 8.37208802e-03] [-3.18767674e-03 -4.47133302e-02 -8.37208857e-03] [-5.94239726e-02 -5.41486026e-03 -1.09306701e-10] [ 3.83567622e-02 -3.63929706e-02 -2.54764404e-10] [-3.83567624e-02 3.63929704e-02 8.92161782e-11] [ 5.94239726e-02 5.41486005e-03 -1.04882210e-11]] Final stress: [-7.90913576e-04 -2.05043995e-03 -1.52896612e-03 4.68666027e-13 -5.61146889e-13 -1.12348908e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.82236458e-03 -1.00476618e-03 1.05869740e-13] [ 5.82236457e-03 1.00476618e-03 -1.42663659e-13] [-1.02994098e-03 -7.72315132e-04 9.03448323e-14] [ 1.02994098e-03 7.72315132e-04 -1.48020485e-13] [-5.19358861e-14 1.47259809e-13 -8.28069000e-04] [-1.89293026e-14 1.50823798e-13 8.28068999e-04] [-5.82236457e-03 -1.00476618e-03 2.60504616e-13] [ 5.82236457e-03 1.00476618e-03 9.56694504e-14] [-1.02994098e-03 -7.72315131e-04 -1.41242198e-13] [ 1.02994098e-03 7.72315132e-04 -9.10198852e-14] [ 9.27144646e-14 -7.22720303e-14 -8.28069000e-04] [-5.93665742e-14 4.70620478e-14 8.28068999e-04] [ 1.50961294e-03 -1.30472469e-03 -6.40615499e-03] [-1.50961294e-03 1.30472469e-03 -6.40615499e-03] [-4.81412957e-04 -2.28178703e-03 -2.75807897e-03] [ 4.81412956e-04 2.28178703e-03 -2.75807897e-03] [ 1.50961294e-03 -1.30472469e-03 6.40615499e-03] [-1.50961294e-03 1.30472469e-03 6.40615499e-03] [ 4.81412957e-04 2.28178703e-03 2.75807897e-03] [-4.81412957e-04 -2.28178703e-03 2.75807897e-03] [ 1.50961294e-03 -1.30472469e-03 -6.40615499e-03] [-1.50961294e-03 1.30472469e-03 -6.40615499e-03] [-4.81412957e-04 -2.28178703e-03 -2.75807897e-03] [ 4.81412956e-04 2.28178702e-03 -2.75807897e-03] [ 1.50961294e-03 -1.30472469e-03 6.40615499e-03] [-1.50961294e-03 1.30472469e-03 6.40615499e-03] [ 4.81412956e-04 2.28178703e-03 2.75807897e-03] [-4.81412957e-04 -2.28178703e-03 2.75807897e-03] [-2.20989893e-13 8.15181256e-13 4.98240338e-13] [-8.95879725e-13 -7.36278412e-13 8.87987254e-13] [-3.76409302e-03 -2.48228811e-03 -2.50043898e-03] [ 3.76409302e-03 2.48228811e-03 -2.50043898e-03] [-3.76409302e-03 -2.48228812e-03 2.50043898e-03] [ 3.76409302e-03 2.48228812e-03 2.50043898e-03] [-6.31372684e-04 -3.85933944e-03 5.39511599e-05] [-6.31372682e-04 -3.85933943e-03 -5.39511580e-05] [ 6.31372683e-04 3.85933944e-03 5.39511581e-05] [ 6.31372681e-04 3.85933944e-03 -5.39511560e-05] [-4.94397192e-03 -4.26320083e-03 3.60267371e-13] [-3.67886238e-03 4.40797455e-03 3.49387186e-13] [ 3.67886238e-03 -4.40797455e-03 5.81999726e-14] [ 4.94397191e-03 4.26320083e-03 1.92540428e-13] [-3.76409302e-03 -2.48228811e-03 -2.50043898e-03] [ 3.76409302e-03 2.48228811e-03 -2.50043898e-03] [-3.76409302e-03 -2.48228812e-03 2.50043898e-03] [ 3.76409302e-03 2.48228812e-03 2.50043898e-03] [-6.31372681e-04 -3.85933943e-03 5.39511566e-05] [-6.31372678e-04 -3.85933944e-03 -5.39511540e-05] [ 6.31372683e-04 3.85933944e-03 5.39511582e-05] [ 6.31372680e-04 3.85933944e-03 -5.39511557e-05] [-4.94397192e-03 -4.26320083e-03 7.10752590e-13] [-3.67886238e-03 4.40797455e-03 6.68295951e-13] [ 3.67886238e-03 -4.40797455e-03 5.28561549e-13] [ 4.94397192e-03 4.26320083e-03 4.59836162e-13]] Final stress: [ 1.91798584e-04 -7.73078587e-05 -7.79885363e-05 1.76245867e-16 3.59142522e-16 -5.51732547e-05] Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.39828446e-02 -1.12740264e-11 -1.53642767e-12] [-2.39828446e-02 -1.34991185e-11 -3.26888516e-12] [ 3.00653892e-12 -6.60995345e-02 -8.59259593e-12] [-1.38491996e-12 6.60995345e-02 -4.14260293e-12] [-5.51713709e-12 2.11539120e-12 2.39828446e-02] [-5.58009194e-12 -5.73446846e-12 -2.39828446e-02] [ 2.39828446e-02 4.27590472e-12 4.29298147e-12] [-2.39828446e-02 1.11442523e-11 4.18663338e-12] [ 8.35493393e-12 -6.60995345e-02 3.34890040e-12] [-6.76559113e-12 6.60995345e-02 8.70195483e-12] [ 7.31810489e-12 7.75127826e-12 2.39828446e-02] [ 6.74573362e-12 -2.28271707e-12 -2.39828445e-02] [-5.83093444e-02 -7.51910382e-03 -5.83093444e-02] [ 5.83093444e-02 7.51910381e-03 -5.83093445e-02] [ 5.83093444e-02 -7.51910383e-03 5.83093444e-02] [-5.83093445e-02 7.51910382e-03 5.83093444e-02] [-5.83093444e-02 -7.51910383e-03 5.83093444e-02] [ 5.83093444e-02 7.51910381e-03 5.83093444e-02] [-5.83093444e-02 7.51910382e-03 -5.83093444e-02] [ 5.83093444e-02 -7.51910381e-03 -5.83093445e-02] [-5.83093445e-02 -7.51910380e-03 -5.83093444e-02] [ 5.83093444e-02 7.51910382e-03 -5.83093444e-02] [ 5.83093445e-02 -7.51910383e-03 5.83093444e-02] [-5.83093445e-02 7.51910383e-03 5.83093444e-02] [-5.83093445e-02 -7.51910382e-03 5.83093444e-02] [ 5.83093444e-02 7.51910383e-03 5.83093444e-02] [-5.83093444e-02 7.51910381e-03 -5.83093445e-02] [ 5.83093444e-02 -7.51910382e-03 -5.83093444e-02] [ 1.77670656e-11 5.34064459e-12 -8.89865959e-12] [ 3.94149036e-12 3.77766601e-12 -1.32059996e-12] [ 1.27903244e-11 -1.39167482e-02 -2.38771383e-02] [-2.44079999e-11 1.39167482e-02 -2.38771383e-02] [ 2.47764457e-11 -1.39167481e-02 2.38771384e-02] [-1.33659237e-11 1.39167482e-02 2.38771383e-02] [-2.79989772e-02 5.98388006e-12 -2.79989771e-02] [-2.79989772e-02 -2.27377180e-11 2.79989772e-02] [ 2.79989772e-02 3.74855546e-11 -2.79989771e-02] [ 2.79989772e-02 3.40361246e-12 2.79989772e-02] [-2.38771383e-02 -1.39167482e-02 -1.40998324e-14] [ 2.38771383e-02 -1.39167482e-02 -1.83468084e-12] [-2.38771383e-02 1.39167482e-02 1.83615050e-11] [ 2.38771383e-02 1.39167482e-02 1.75524905e-11] [-1.41129686e-11 -1.39167482e-02 -2.38771383e-02] [-4.37924350e-12 1.39167482e-02 -2.38771383e-02] [ 1.11507678e-12 -1.39167482e-02 2.38771382e-02] [ 1.54783109e-11 1.39167482e-02 2.38771383e-02] [-2.79989772e-02 -6.62314857e-12 -2.79989772e-02] [-2.79989772e-02 1.32571926e-11 2.79989772e-02] [ 2.79989772e-02 -1.43442526e-11 -2.79989772e-02] [ 2.79989772e-02 8.83363695e-13 2.79989772e-02] [-2.38771383e-02 -1.39167482e-02 3.84061177e-12] [ 2.38771383e-02 -1.39167481e-02 2.39503686e-12] [-2.38771384e-02 1.39167482e-02 -1.46037221e-11] [ 2.38771383e-02 1.39167482e-02 -1.00206492e-11]] Final stress: [-8.85689776e-04 -7.48536390e-04 -8.85689776e-04 -1.17963512e-14 1.72655081e-14 2.53852688e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.57678314e-04 -1.27415439e-15 1.51735829e-13] [-5.57678314e-04 1.45716772e-14 2.91155988e-14] [ 7.37066658e-14 1.74352087e-03 -3.20533530e-15] [ 3.92741395e-14 -1.74352087e-03 3.84137167e-14] [-4.94695430e-14 1.54425084e-13 1.74352087e-03] [ 6.07847106e-15 9.44799794e-14 -1.74352087e-03] [ 5.57678313e-04 7.07463602e-14 -1.02215460e-13] [-5.57678313e-04 -9.71748723e-15 5.48851889e-14] [ 2.22070626e-14 1.74352087e-03 4.75229749e-14] [ 2.85153845e-14 -1.74352087e-03 -1.93605951e-13] [-3.75047216e-14 -3.02708132e-13 1.74352087e-03] [-8.60314424e-14 1.13917711e-14 -1.74352087e-03] [ 6.47904257e-04 -5.81381493e-06 -5.81381503e-06] [-6.47904257e-04 5.81381499e-06 -5.81381496e-06] [-6.47904257e-04 -5.81381493e-06 5.81381511e-06] [ 6.47904257e-04 5.81381500e-06 5.81381488e-06] [ 6.47904257e-04 -5.81381472e-06 5.81381506e-06] [-6.47904257e-04 5.81381496e-06 5.81381504e-06] [ 6.47904257e-04 5.81381511e-06 -5.81381493e-06] [-6.47904257e-04 -5.81381505e-06 -5.81381509e-06] [ 6.47904257e-04 -5.81381522e-06 -5.81381513e-06] [-6.47904257e-04 5.81381501e-06 -5.81381486e-06] [-6.47904257e-04 -5.81381504e-06 5.81381483e-06] [ 6.47904257e-04 5.81381494e-06 5.81381499e-06] [ 6.47904257e-04 -5.81381528e-06 5.81381498e-06] [-6.47904257e-04 5.81381473e-06 5.81381472e-06] [ 6.47904257e-04 5.81381516e-06 -5.81381506e-06] [-6.47904257e-04 -5.81381503e-06 -5.81381512e-06] [ 3.73506781e-13 5.20194998e-13 3.47027962e-13] [-4.52572008e-14 -8.27157136e-14 2.60441804e-13] [-5.21471755e-13 -3.81586678e-04 -3.81586678e-04] [-5.74349596e-13 3.81586677e-04 -3.81586680e-04] [-9.29846478e-13 -3.81586680e-04 3.81586677e-04] [-8.01390204e-13 3.81586679e-04 3.81586678e-04] [ 2.70791628e-04 -6.05959727e-13 -7.42516240e-05] [ 2.70791630e-04 2.99437558e-13 7.42516261e-05] [-2.70791630e-04 -5.99322675e-13 -7.42516270e-05] [-2.70791632e-04 1.48540902e-13 7.42516282e-05] [ 2.70791630e-04 -7.42516260e-05 6.11399820e-13] [-2.70791632e-04 -7.42516278e-05 9.83846685e-13] [ 2.70791630e-04 7.42516262e-05 -7.34221711e-14] [-2.70791631e-04 7.42516274e-05 -8.64568833e-14] [ 8.43696640e-13 -3.81586678e-04 -3.81586678e-04] [ 7.15294577e-13 3.81586678e-04 -3.81586679e-04] [ 1.03040493e-12 -3.81586679e-04 3.81586678e-04] [ 1.30066270e-12 3.81586680e-04 3.81586677e-04] [ 2.70791631e-04 5.72577837e-13 -7.42516268e-05] [ 2.70791631e-04 2.22499102e-13 7.42516273e-05] [-2.70791629e-04 4.86768178e-13 -7.42516251e-05] [-2.70791630e-04 2.12792457e-13 7.42516260e-05] [ 2.70791631e-04 -7.42516271e-05 3.96250928e-14] [-2.70791629e-04 -7.42516249e-05 -3.05513932e-13] [ 2.70791632e-04 7.42516278e-05 3.94518887e-13] [-2.70791630e-04 7.42516256e-05 -2.00143721e-14]] Final stress: [ 1.00634363e-04 2.45705010e-05 2.45705010e-05 -4.32171511e-17 -5.98391323e-17 8.64343022e-17] Minimization converged after 37 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-8.23365216e-04 7.62280863e-15 -6.68601459e-14] [ 8.23365216e-04 -2.83939539e-14 -1.83464355e-13] [-2.38169727e-13 -2.52447932e-03 -2.25380044e-13] [-5.48172618e-14 2.52447932e-03 -1.81299420e-13] [ 3.61329890e-14 1.15792792e-13 -2.52447932e-03] [ 5.93969318e-14 1.41442413e-13 2.52447932e-03] [-8.23365215e-04 2.36954553e-14 1.00934930e-13] [ 8.23365216e-04 2.57151071e-14 -6.40968209e-14] [ 9.99261437e-14 -2.52447932e-03 -4.33750258e-14] [ 6.74703349e-14 2.52447932e-03 -1.60532364e-13] [ 2.68665298e-15 -2.88443165e-14 -2.52447932e-03] [-1.11393967e-13 4.37505934e-14 2.52447932e-03] [-8.76195174e-04 2.17953699e-05 2.17953700e-05] [ 8.76195174e-04 -2.17953697e-05 2.17953697e-05] [ 8.76195174e-04 2.17953695e-05 -2.17953697e-05] [-8.76195174e-04 -2.17953697e-05 -2.17953697e-05] [-8.76195174e-04 2.17953700e-05 -2.17953696e-05] [ 8.76195174e-04 -2.17953694e-05 -2.17953698e-05] [-8.76195174e-04 -2.17953696e-05 2.17953699e-05] [ 8.76195174e-04 2.17953697e-05 2.17953697e-05] [-8.76195174e-04 2.17953696e-05 2.17953696e-05] [ 8.76195174e-04 -2.17953699e-05 2.17953697e-05] [ 8.76195174e-04 2.17953698e-05 -2.17953700e-05] [-8.76195174e-04 -2.17953697e-05 -2.17953697e-05] [-8.76195174e-04 2.17953696e-05 -2.17953698e-05] [ 8.76195174e-04 -2.17953700e-05 -2.17953697e-05] [-8.76195174e-04 -2.17953695e-05 2.17953696e-05] [ 8.76195174e-04 2.17953698e-05 2.17953696e-05] [ 7.15288939e-13 -2.33146835e-13 4.99600361e-14] [-4.39835668e-13 -2.73889114e-13 -4.34807766e-13] [ 3.29514194e-13 6.50235508e-04 6.50235507e-04] [-1.64883732e-13 -6.50235508e-04 6.50235507e-04] [ 5.06188841e-13 6.50235508e-04 -6.50235507e-04] [ 5.63287264e-13 -6.50235508e-04 -6.50235507e-04] [-7.82453796e-05 -7.03215264e-13 6.14740596e-05] [-7.82453767e-05 -1.30359265e-13 -6.14740570e-05] [ 7.82453804e-05 -6.59854116e-13 6.14740606e-05] [ 7.82453777e-05 1.46844342e-13 -6.14740581e-05] [-7.82453758e-05 6.14740562e-05 1.34781075e-12] [ 7.82453761e-05 6.14740564e-05 1.01356597e-12] [-7.82453758e-05 -6.14740560e-05 5.54898141e-13] [ 7.82453766e-05 -6.14740569e-05 4.84196017e-13] [-4.71555954e-13 6.50235508e-04 6.50235508e-04] [-2.86985279e-13 -6.50235508e-04 6.50235508e-04] [-3.52733467e-13 6.50235505e-04 -6.50235509e-04] [-1.05369272e-13 -6.50235504e-04 -6.50235510e-04] [-7.82453770e-05 1.93689430e-13 6.14740574e-05] [-7.82453766e-05 2.95743681e-13 -6.14740572e-05] [ 7.82453756e-05 1.59845227e-13 6.14740562e-05] [ 7.82453769e-05 -3.02737869e-13 -6.14740563e-05] [-7.82453792e-05 6.14740593e-05 -7.56893224e-13] [ 7.82453784e-05 6.14740587e-05 -3.05719707e-13] [-7.82453782e-05 -6.14740588e-05 -1.99713493e-13] [ 7.82453775e-05 -6.14740580e-05 -2.58691939e-13]] Final stress: [-1.15848667e-04 -1.95148469e-05 -1.95148469e-05 -1.66286313e-18 3.02641090e-16 -2.64395238e-16] Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 8.48089226e-04 9.92391933e-15 -1.82949576e-13] [-8.48089227e-04 -1.85490512e-13 -9.89763826e-14] [-5.85156923e-14 3.21801285e-03 -1.10394037e-03] [ 3.42226247e-14 -3.21801285e-03 1.10394037e-03] [ 9.18861341e-14 -1.10555284e-03 8.66946486e-04] [ 5.54833957e-14 1.10555284e-03 -8.66946486e-04] [ 8.48089226e-04 4.57880261e-15 2.54143820e-14] [-8.48089227e-04 2.50490600e-13 -1.78944251e-14] [-7.02914289e-14 3.21801285e-03 -1.10394037e-03] [-9.23484379e-14 -3.21801285e-03 1.10394037e-03] [-6.99310401e-14 -1.10555284e-03 8.66946485e-04] [-1.04454639e-13 1.10555284e-03 -8.66946486e-04] [-1.82089395e-03 -2.52253718e-04 1.11455225e-03] [-3.47665572e-03 8.04312055e-04 5.61107430e-04] [-3.47665572e-03 -8.04312054e-04 -5.61107430e-04] [-1.82089395e-03 2.52253718e-04 -1.11455225e-03] [ 3.47665572e-03 -8.04312054e-04 -5.61107430e-04] [ 1.82089395e-03 2.52253718e-04 -1.11455225e-03] [ 3.47665572e-03 8.04312055e-04 5.61107430e-04] [ 1.82089395e-03 -2.52253718e-04 1.11455225e-03] [-1.82089395e-03 -2.52253717e-04 1.11455225e-03] [-3.47665572e-03 8.04312054e-04 5.61107430e-04] [-3.47665572e-03 -8.04312054e-04 -5.61107430e-04] [-1.82089395e-03 2.52253718e-04 -1.11455225e-03] [ 3.47665572e-03 -8.04312055e-04 -5.61107430e-04] [ 1.82089395e-03 2.52253718e-04 -1.11455225e-03] [ 3.47665572e-03 8.04312055e-04 5.61107430e-04] [ 1.82089395e-03 -2.52253718e-04 1.11455225e-03] [ 6.36074526e-13 -4.28823643e-14 -2.91155988e-13] [ 5.15959237e-13 -4.18372142e-13 5.20171390e-13] [ 9.14157638e-13 -1.63731428e-03 -2.43167218e-03] [ 3.23199800e-13 -2.71600627e-03 1.91520687e-03] [ 1.00751699e-12 2.71600627e-03 -1.91520687e-03] [ 5.58190646e-13 1.63731428e-03 2.43167218e-03] [ 1.25598566e-03 -1.63466285e-03 1.25904503e-03] [ 1.25598566e-03 1.63466285e-03 -1.25904503e-03] [-1.25598566e-03 -1.63466285e-03 1.25904504e-03] [-1.25598566e-03 1.63466285e-03 -1.25904503e-03] [-2.64224870e-04 5.36230396e-04 -1.62090208e-03] [ 2.64224870e-04 5.36230396e-04 -1.62090208e-03] [-2.64224870e-04 -5.36230396e-04 1.62090208e-03] [ 2.64224871e-04 -5.36230397e-04 1.62090208e-03] [-5.29880393e-13 -1.63731428e-03 -2.43167218e-03] [ 2.59679864e-13 -2.71600627e-03 1.91520687e-03] [-7.27127560e-13 2.71600627e-03 -1.91520687e-03] [-4.02130586e-13 1.63731428e-03 2.43167218e-03] [ 1.25598566e-03 -1.63466285e-03 1.25904504e-03] [ 1.25598566e-03 1.63466285e-03 -1.25904504e-03] [-1.25598566e-03 -1.63466285e-03 1.25904503e-03] [-1.25598566e-03 1.63466285e-03 -1.25904503e-03] [-2.64224870e-04 5.36230396e-04 -1.62090208e-03] [ 2.64224869e-04 5.36230395e-04 -1.62090208e-03] [-2.64224870e-04 -5.36230396e-04 1.62090208e-03] [ 2.64224868e-04 -5.36230395e-04 1.62090208e-03]] Final stress: [ 5.70777479e-05 -8.91731455e-05 5.73332147e-05 -5.60832598e-05 2.46029925e-16 -4.48838376e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-2.92189963e-02 2.65055360e-11 -1.97150733e-11] [ 2.92189964e-02 -1.38688228e-11 6.17214890e-11] [-2.92973791e-11 -2.54351192e-02 2.05391228e-02] [ 5.58408597e-11 2.54351192e-02 -2.05391228e-02] [ 7.17974291e-12 2.81193633e-02 1.51364887e-02] [ 2.61184407e-11 -2.81193634e-02 -1.51364888e-02] [-2.92189963e-02 9.18700012e-12 2.15254700e-11] [ 2.92189963e-02 -1.16739447e-12 -2.01617004e-11] [ 2.24215945e-11 -2.54351191e-02 2.05391229e-02] [ 1.81905793e-12 2.54351192e-02 -2.05391228e-02] [-7.63432859e-11 2.81193632e-02 1.51364886e-02] [ 1.85728461e-11 -2.81193631e-02 -1.51364887e-02] [-9.87158533e-03 1.19468304e-02 -5.48815566e-03] [-1.84498609e-02 -5.01159448e-03 -2.79007524e-02] [-1.84498608e-02 5.01159457e-03 2.79007524e-02] [-9.87158534e-03 -1.19468306e-02 5.48815565e-03] [ 1.84498608e-02 5.01159465e-03 2.79007524e-02] [ 9.87158531e-03 -1.19468306e-02 5.48815560e-03] [ 1.84498608e-02 -5.01159447e-03 -2.79007524e-02] [ 9.87158534e-03 1.19468306e-02 -5.48815568e-03] [-9.87158538e-03 1.19468306e-02 -5.48815560e-03] [-1.84498607e-02 -5.01159460e-03 -2.79007524e-02] [-1.84498607e-02 5.01159448e-03 2.79007523e-02] [-9.87158545e-03 -1.19468306e-02 5.48815559e-03] [ 1.84498608e-02 5.01159447e-03 2.79007523e-02] [ 9.87158543e-03 -1.19468306e-02 5.48815562e-03] [ 1.84498608e-02 -5.01159455e-03 -2.79007523e-02] [ 9.87158535e-03 1.19468306e-02 -5.48815553e-03] [-5.54884194e-11 -7.00711711e-11 -9.22726617e-11] [ 3.99627683e-11 -3.71527676e-11 9.70929489e-12] [-2.08270068e-11 -1.91202894e-02 -2.19247015e-02] [-8.91010564e-11 1.63047785e-02 -1.91390339e-02] [ 4.85198826e-11 -1.63047783e-02 1.91390340e-02] [ 3.93856445e-12 1.91202892e-02 2.19247016e-02] [-6.45677642e-03 3.55536212e-03 1.54935054e-03] [-6.45677623e-03 -3.55536206e-03 -1.54935049e-03] [ 6.45677635e-03 3.55536227e-03 1.54935049e-03] [ 6.45677620e-03 -3.55536204e-03 -1.54935044e-03] [-3.40560318e-03 5.65491385e-03 7.84329382e-03] [ 3.40560304e-03 5.65491365e-03 7.84329374e-03] [-3.40560307e-03 -5.65491380e-03 -7.84329366e-03] [ 3.40560306e-03 -5.65491371e-03 -7.84329369e-03] [-2.02785930e-11 -1.91202816e-02 -2.19247091e-02] [-5.10456915e-11 1.63047705e-02 -1.91390417e-02] [-7.67819515e-11 -1.63047707e-02 1.91390417e-02] [ 1.01415490e-10 1.91202817e-02 2.19247091e-02] [-6.45678728e-03 3.55536218e-03 1.54936151e-03] [-6.45678733e-03 -3.55536215e-03 -1.54936146e-03] [ 6.45678723e-03 3.55536227e-03 1.54936149e-03] [ 6.45678746e-03 -3.55536243e-03 -1.54936164e-03] [-3.40559532e-03 5.65490593e-03 7.84329365e-03] [ 3.40559542e-03 5.65490602e-03 7.84329366e-03] [-3.40559543e-03 -5.65490597e-03 -7.84329375e-03] [ 3.40559531e-03 -5.65490597e-03 -7.84329367e-03]] Final stress: [-1.20174046e-03 -4.35300147e-04 -1.65660630e-03 4.72022460e-05 -5.01003818e-14 -9.36730158e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.70211982e-03 -5.04174827e-13 -2.94292368e-13] [ 2.70211982e-03 -5.35460565e-13 -2.66148215e-13] [ 3.36588396e-14 -1.22926019e-02 -3.73763836e-03] [-2.82357471e-13 1.22926019e-02 3.73763836e-03] [-7.95370714e-15 -3.99248073e-03 -2.48312278e-03] [-3.20105054e-13 3.99248073e-03 2.48312278e-03] [-2.70211982e-03 2.60561971e-13 1.82124372e-13] [ 2.70211982e-03 6.16831239e-13 -4.69334647e-14] [-5.59438780e-13 -1.22926019e-02 -3.73763836e-03] [ 1.36869682e-15 1.22926019e-02 3.73763836e-03] [ 6.40338477e-14 -3.99248073e-03 -2.48312278e-03] [-9.58113797e-14 3.99248073e-03 2.48312278e-03] [-1.51804551e-02 3.95952059e-03 -2.47424980e-03] [-7.40556153e-03 -1.21119635e-03 -5.01816365e-03] [-7.40556153e-03 1.21119635e-03 5.01816365e-03] [-1.51804551e-02 -3.95952059e-03 2.47424980e-03] [ 7.40556153e-03 1.21119635e-03 5.01816365e-03] [ 1.51804551e-02 -3.95952059e-03 2.47424980e-03] [ 7.40556153e-03 -1.21119635e-03 -5.01816365e-03] [ 1.51804551e-02 3.95952058e-03 -2.47424980e-03] [-1.51804551e-02 3.95952059e-03 -2.47424980e-03] [-7.40556153e-03 -1.21119635e-03 -5.01816365e-03] [-7.40556153e-03 1.21119635e-03 5.01816365e-03] [-1.51804551e-02 -3.95952058e-03 2.47424980e-03] [ 7.40556153e-03 1.21119635e-03 5.01816365e-03] [ 1.51804551e-02 -3.95952058e-03 2.47424980e-03] [ 7.40556153e-03 -1.21119635e-03 -5.01816365e-03] [ 1.51804551e-02 3.95952059e-03 -2.47424980e-03] [ 2.67905143e-12 -2.36016762e-12 -2.79415380e-12] [-2.16601216e-12 1.18809700e-12 7.32189412e-13] [ 1.32005518e-12 -8.58962507e-03 -1.03346868e-02] [-6.39807651e-13 -1.06082824e-02 9.15277567e-03] [-9.07789469e-13 1.06082824e-02 -9.15277566e-03] [-3.97654132e-13 8.58962507e-03 1.03346868e-02] [-4.60655497e-03 -7.55960163e-03 -4.51674350e-03] [-4.60655497e-03 7.55960163e-03 4.51674351e-03] [ 4.60655497e-03 -7.55960163e-03 -4.51674351e-03] [ 4.60655496e-03 7.55960163e-03 4.51674351e-03] [-6.49784846e-04 1.05607336e-03 -8.05608130e-03] [ 6.49784844e-04 1.05607336e-03 -8.05608130e-03] [-6.49784840e-04 -1.05607335e-03 8.05608130e-03] [ 6.49784837e-04 -1.05607335e-03 8.05608130e-03] [ 3.36372813e-12 -8.58962506e-03 -1.03346868e-02] [ 2.04417559e-12 -1.06082824e-02 9.15277565e-03] [ 2.86173038e-12 1.06082824e-02 -9.15277566e-03] [ 2.64366220e-12 8.58962506e-03 1.03346868e-02] [-4.60655497e-03 -7.55960163e-03 -4.51674350e-03] [-4.60655498e-03 7.55960162e-03 4.51674350e-03] [ 4.60655497e-03 -7.55960163e-03 -4.51674350e-03] [ 4.60655498e-03 7.55960163e-03 4.51674350e-03] [-6.49784830e-04 1.05607334e-03 -8.05608130e-03] [ 6.49784833e-04 1.05607335e-03 -8.05608130e-03] [-6.49784832e-04 -1.05607335e-03 8.05608130e-03] [ 6.49784835e-04 -1.05607335e-03 8.05608130e-03]] Final stress: [-1.38389027e-04 3.91581237e-04 -1.35796556e-04 -8.46923494e-05 -1.13063387e-16 -1.23704647e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.57066234e-04 -6.73159445e-15 1.18490834e-03] [-7.57066234e-04 -4.58799665e-14 -1.18490834e-03] [-4.76715022e-14 1.87172718e-03 -6.15436521e-15] [ 9.85322934e-14 -1.87172718e-03 8.63198402e-15] [ 1.18490834e-03 -4.29265998e-14 7.57066234e-04] [-1.18490834e-03 -2.18991492e-14 -7.57066234e-04] [ 7.57066234e-04 2.57402606e-14 1.18490834e-03] [-7.57066234e-04 2.78705010e-14 -1.18490834e-03] [ 1.01433618e-14 1.87172718e-03 -3.22525908e-14] [-3.22185854e-14 -1.87172718e-03 1.39470204e-14] [ 1.18490834e-03 4.15024776e-14 7.57066234e-04] [-1.18490834e-03 -6.52157034e-16 -7.57066234e-04] [ 1.69824796e-04 1.55090630e-03 1.69824796e-04] [-6.68369938e-04 2.32151265e-03 6.68369938e-04] [-1.69824796e-04 1.55090630e-03 -1.69824796e-04] [ 6.68369938e-04 2.32151265e-03 -6.68369938e-04] [ 6.68369937e-04 -2.32151265e-03 -6.68369937e-04] [-1.69824796e-04 -1.55090630e-03 -1.69824796e-04] [ 1.69824796e-04 -1.55090630e-03 1.69824796e-04] [-6.68369937e-04 -2.32151265e-03 6.68369937e-04] [ 1.69824796e-04 1.55090630e-03 1.69824796e-04] [-6.68369937e-04 2.32151265e-03 6.68369937e-04] [-1.69824796e-04 1.55090630e-03 -1.69824796e-04] [ 6.68369938e-04 2.32151265e-03 -6.68369938e-04] [ 6.68369938e-04 -2.32151265e-03 -6.68369938e-04] [-1.69824796e-04 -1.55090630e-03 -1.69824796e-04] [ 1.69824796e-04 -1.55090630e-03 1.69824796e-04] [-6.68369938e-04 -2.32151265e-03 6.68369938e-04] [-2.03892458e-13 -2.52547983e-13 2.08028039e-13] [ 2.96151992e-13 3.75720284e-13 2.07845589e-13] [ 8.25973391e-04 8.65159468e-05 -2.35103069e-04] [ 8.25973391e-04 -8.65159466e-05 -2.35103069e-04] [-8.25973391e-04 8.65159471e-05 2.35103069e-04] [-8.25973391e-04 -8.65159469e-05 2.35103069e-04] [ 1.76650291e-03 3.28070904e-13 1.76650291e-03] [-6.41938419e-04 2.30650568e-13 6.41938419e-04] [ 6.41938419e-04 4.60353977e-13 -6.41938420e-04] [-1.76650291e-03 9.11042075e-14 -1.76650291e-03] [-2.35103071e-04 8.65159490e-05 8.25973390e-04] [ 2.35103072e-04 8.65159491e-05 -8.25973391e-04] [-2.35103070e-04 -8.65159479e-05 8.25973391e-04] [ 2.35103071e-04 -8.65159488e-05 -8.25973390e-04] [ 8.25973391e-04 8.65159481e-05 -2.35103070e-04] [ 8.25973391e-04 -8.65159488e-05 -2.35103071e-04] [-8.25973391e-04 8.65159481e-05 2.35103070e-04] [-8.25973390e-04 -8.65159491e-05 2.35103071e-04] [ 1.76650291e-03 -1.48854454e-13 1.76650291e-03] [-6.41938421e-04 -9.55964908e-14 6.41938418e-04] [ 6.41938420e-04 -5.22361668e-13 -6.41938419e-04] [-1.76650291e-03 -5.33971305e-13 -1.76650291e-03] [-2.35103069e-04 8.65159467e-05 8.25973391e-04] [ 2.35103069e-04 8.65159472e-05 -8.25973391e-04] [-2.35103069e-04 -8.65159470e-05 8.25973391e-04] [ 2.35103070e-04 -8.65159475e-05 -8.25973391e-04]] Final stress: [ 4.90413325e-05 -3.85112345e-05 4.90413325e-05 -8.31182178e-18 5.83533738e-05 6.64945742e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.31202037e-04 -2.26802084e-14 -7.22339392e-05] [-4.31202036e-04 7.46624984e-15 7.22339392e-05] [ 5.01573609e-14 9.14410190e-04 -2.22296140e-14] [-1.26842981e-14 -9.14410190e-04 -1.47659662e-14] [-7.22339393e-05 -8.49407350e-15 4.31202037e-04] [ 7.22339393e-05 -1.51267887e-14 -4.31202037e-04] [ 4.31202037e-04 2.53065797e-14 -7.22339393e-05] [-4.31202037e-04 -7.60372668e-15 7.22339392e-05] [-3.62561543e-14 9.14410190e-04 1.39618082e-16] [ 1.57248346e-14 -9.14410190e-04 -5.90765329e-14] [-7.22339393e-05 -1.29059991e-14 4.31202037e-04] [ 7.22339392e-05 5.29301849e-15 -4.31202037e-04] [ 1.88663411e-04 -9.24880272e-04 1.88663411e-04] [-2.78900184e-04 -5.10348355e-04 2.78900184e-04] [-1.88663411e-04 -9.24880273e-04 -1.88663411e-04] [ 2.78900184e-04 -5.10348355e-04 -2.78900184e-04] [ 2.78900184e-04 5.10348355e-04 -2.78900184e-04] [-1.88663411e-04 9.24880273e-04 -1.88663411e-04] [ 1.88663411e-04 9.24880273e-04 1.88663411e-04] [-2.78900184e-04 5.10348355e-04 2.78900184e-04] [ 1.88663411e-04 -9.24880273e-04 1.88663411e-04] [-2.78900184e-04 -5.10348355e-04 2.78900184e-04] [-1.88663411e-04 -9.24880273e-04 -1.88663411e-04] [ 2.78900184e-04 -5.10348355e-04 -2.78900184e-04] [ 2.78900184e-04 5.10348355e-04 -2.78900184e-04] [-1.88663411e-04 9.24880273e-04 -1.88663411e-04] [ 1.88663411e-04 9.24880273e-04 1.88663411e-04] [-2.78900184e-04 5.10348355e-04 2.78900184e-04] [-1.16046062e-13 -2.22322161e-14 2.35672593e-13] [-4.99210048e-15 -5.67523114e-14 -3.12495607e-14] [-2.41361067e-04 -8.41801937e-04 7.52626823e-04] [-2.41361067e-04 8.41801937e-04 7.52626823e-04] [ 2.41361067e-04 -8.41801937e-04 -7.52626823e-04] [ 2.41361067e-04 8.41801937e-04 -7.52626823e-04] [-2.90638460e-04 -5.20694599e-14 -2.90638458e-04] [ 1.17011587e-03 4.01016026e-14 -1.17011587e-03] [-1.17011587e-03 -1.69570955e-13 1.17011587e-03] [ 2.90638459e-04 -1.83689869e-14 2.90638459e-04] [ 7.52626824e-04 -8.41801937e-04 -2.41361067e-04] [-7.52626824e-04 -8.41801937e-04 2.41361067e-04] [ 7.52626823e-04 8.41801937e-04 -2.41361067e-04] [-7.52626824e-04 8.41801937e-04 2.41361067e-04] [-2.41361067e-04 -8.41801937e-04 7.52626823e-04] [-2.41361067e-04 8.41801937e-04 7.52626823e-04] [ 2.41361067e-04 -8.41801938e-04 -7.52626824e-04] [ 2.41361067e-04 8.41801938e-04 -7.52626824e-04] [-2.90638458e-04 -7.77451645e-14 -2.90638459e-04] [ 1.17011587e-03 -5.56460260e-14 -1.17011587e-03] [-1.17011587e-03 1.73841410e-13 1.17011587e-03] [ 2.90638459e-04 7.85656262e-14 2.90638459e-04] [ 7.52626823e-04 -8.41801937e-04 -2.41361067e-04] [-7.52626823e-04 -8.41801936e-04 2.41361067e-04] [ 7.52626823e-04 8.41801937e-04 -2.41361067e-04] [-7.52626823e-04 8.41801936e-04 2.41361067e-04]] Final stress: [ 3.97717120e-05 -1.41145954e-05 3.97717120e-05 4.65462020e-17 -4.68481290e-05 -1.66236436e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.15305140e-04 -8.69530142e-16 -1.31301456e-04] [ 1.15305140e-04 5.41233725e-15 1.31301456e-04] [-1.64195914e-14 -5.72390405e-04 3.14483682e-14] [ 2.30371278e-15 5.72390405e-04 8.27116153e-15] [-1.31301456e-04 -2.20145083e-14 -1.15305140e-04] [ 1.31301456e-04 1.46271883e-14 1.15305140e-04] [-1.15305140e-04 -6.84348411e-16 -1.31301456e-04] [ 1.15305140e-04 1.63263500e-14 1.31301456e-04] [ 1.80940332e-14 -5.72390405e-04 -1.41416982e-14] [-1.51051047e-15 5.72390405e-04 4.02315657e-15] [-1.31301456e-04 3.10202918e-14 -1.15305140e-04] [ 1.31301456e-04 -1.15995156e-14 1.15305140e-04] [-1.22833432e-04 4.53921152e-04 -1.22833432e-04] [ 2.13083722e-04 1.71135736e-04 -2.13083722e-04] [ 1.22833432e-04 4.53921152e-04 1.22833432e-04] [-2.13083722e-04 1.71135736e-04 2.13083722e-04] [-2.13083722e-04 -1.71135736e-04 2.13083722e-04] [ 1.22833432e-04 -4.53921152e-04 1.22833432e-04] [-1.22833432e-04 -4.53921152e-04 -1.22833432e-04] [ 2.13083722e-04 -1.71135736e-04 -2.13083722e-04] [-1.22833432e-04 4.53921152e-04 -1.22833432e-04] [ 2.13083722e-04 1.71135736e-04 -2.13083722e-04] [ 1.22833432e-04 4.53921152e-04 1.22833432e-04] [-2.13083722e-04 1.71135736e-04 2.13083722e-04] [-2.13083722e-04 -1.71135736e-04 2.13083722e-04] [ 1.22833432e-04 -4.53921152e-04 1.22833432e-04] [-1.22833432e-04 -4.53921152e-04 -1.22833432e-04] [ 2.13083722e-04 -1.71135736e-04 -2.13083722e-04] [ 4.35207426e-14 -1.23595578e-13 -3.20854454e-14] [-1.32576242e-14 1.87132778e-14 4.43855906e-14] [ 1.94632025e-04 9.84702439e-05 -9.35531380e-05] [ 1.94632024e-04 -9.84702440e-05 -9.35531379e-05] [-1.94632025e-04 9.84702440e-05 9.35531380e-05] [-1.94632025e-04 -9.84702439e-05 9.35531378e-05] [ 1.24341242e-04 -6.66133815e-16 1.24341241e-04] [-7.10752255e-04 -1.11275572e-13 7.10752255e-04] [ 7.10752254e-04 5.02878988e-14 -7.10752255e-04] [-1.24341241e-04 3.56797925e-14 -1.24341241e-04] [-9.35531384e-05 9.84702444e-05 1.94632024e-04] [ 9.35531384e-05 9.84702444e-05 -1.94632025e-04] [-9.35531382e-05 -9.84702442e-05 1.94632025e-04] [ 9.35531382e-05 -9.84702442e-05 -1.94632024e-04] [ 1.94632025e-04 9.84702443e-05 -9.35531383e-05] [ 1.94632025e-04 -9.84702443e-05 -9.35531383e-05] [-1.94632024e-04 9.84702444e-05 9.35531384e-05] [-1.94632025e-04 -9.84702446e-05 9.35531386e-05] [ 1.24341241e-04 -1.39023309e-13 1.24341241e-04] [-7.10752255e-04 3.37577188e-15 7.10752255e-04] [ 7.10752255e-04 -1.36015765e-13 -7.10752255e-04] [-1.24341241e-04 -1.12465159e-13 -1.24341241e-04] [-9.35531377e-05 9.84702437e-05 1.94632025e-04] [ 9.35531380e-05 9.84702440e-05 -1.94632024e-04] [-9.35531378e-05 -9.84702438e-05 1.94632025e-04] [ 9.35531379e-05 -9.84702439e-05 -1.94632025e-04]] Final stress: [-3.84716080e-05 6.97510152e-06 -3.84716080e-05 1.66269686e-18 4.49828804e-05 -4.65555121e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.25335614e-04 1.97671740e-15 1.26100634e-04] [ 1.25335614e-04 1.13242749e-14 -1.26100634e-04] [ 2.29382485e-14 -5.71194813e-04 8.23733443e-15] [ 6.49480469e-15 5.71194813e-04 -2.77555756e-17] [ 1.26100634e-04 -8.80285428e-15 -1.25335614e-04] [-1.26100634e-04 1.60982339e-15 1.25335614e-04] [-1.25335614e-04 1.33747180e-15 1.26100634e-04] [ 1.25335614e-04 4.18415302e-15 -1.26100634e-04] [-2.08990811e-15 -5.71194813e-04 -3.96360666e-15] [ 5.25014060e-15 5.71194813e-04 -7.54934594e-15] [ 1.26100634e-04 -3.38003537e-15 -1.25335614e-04] [-1.26100634e-04 8.35049176e-15 1.25335614e-04] [-2.12814220e-04 -1.74478044e-04 -2.12814220e-04] [ 1.20511499e-04 -4.58423859e-04 -1.20511499e-04] [ 2.12814220e-04 -1.74478044e-04 2.12814220e-04] [-1.20511499e-04 -4.58423859e-04 1.20511499e-04] [-1.20511499e-04 4.58423859e-04 1.20511499e-04] [ 2.12814220e-04 1.74478044e-04 2.12814220e-04] [-2.12814220e-04 1.74478044e-04 -2.12814220e-04] [ 1.20511499e-04 4.58423859e-04 -1.20511499e-04] [-2.12814220e-04 -1.74478044e-04 -2.12814220e-04] [ 1.20511499e-04 -4.58423859e-04 -1.20511499e-04] [ 2.12814220e-04 -1.74478044e-04 2.12814220e-04] [-1.20511499e-04 -4.58423859e-04 1.20511499e-04] [-1.20511499e-04 4.58423859e-04 1.20511499e-04] [ 2.12814220e-04 1.74478044e-04 2.12814220e-04] [-2.12814220e-04 1.74478044e-04 -2.12814220e-04] [ 1.20511499e-04 4.58423859e-04 -1.20511499e-04] [ 1.53682622e-13 -5.80369086e-14 -1.07247544e-13] [ 9.74697753e-15 -2.69645934e-14 -4.33701670e-14] [-1.87036408e-04 1.42989888e-04 -1.31764142e-04] [-1.87036408e-04 -1.42989888e-04 -1.31764142e-04] [ 1.87036408e-04 1.42989888e-04 1.31764142e-04] [ 1.87036408e-04 -1.42989887e-04 1.31764142e-04] [-7.13803189e-04 -1.11022302e-14 -7.13803189e-04] [ 1.25112255e-04 5.84636506e-14 -1.25112255e-04] [-1.25112255e-04 -5.64392283e-14 1.25112256e-04] [ 7.13803189e-04 -2.98337743e-14 7.13803189e-04] [-1.31764142e-04 1.42989887e-04 -1.87036408e-04] [ 1.31764142e-04 1.42989887e-04 1.87036408e-04] [-1.31764141e-04 -1.42989887e-04 -1.87036408e-04] [ 1.31764141e-04 -1.42989887e-04 1.87036408e-04] [-1.87036408e-04 1.42989887e-04 -1.31764142e-04] [-1.87036408e-04 -1.42989887e-04 -1.31764142e-04] [ 1.87036408e-04 1.42989887e-04 1.31764142e-04] [ 1.87036408e-04 -1.42989887e-04 1.31764142e-04] [-7.13803189e-04 -7.06415691e-14 -7.13803189e-04] [ 1.25112256e-04 -2.60952284e-14 -1.25112255e-04] [-1.25112256e-04 -4.43044039e-14 1.25112255e-04] [ 7.13803188e-04 1.93968105e-14 7.13803189e-04] [-1.31764142e-04 1.42989888e-04 -1.87036408e-04] [ 1.31764142e-04 1.42989887e-04 1.87036408e-04] [-1.31764142e-04 -1.42989888e-04 -1.87036408e-04] [ 1.31764142e-04 -1.42989888e-04 1.87036408e-04]] Final stress: [-3.84267861e-05 6.76386872e-06 -3.84267861e-05 -2.99285435e-17 -4.50294231e-05 1.66269686e-18] Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.11122308e-03 -1.22241479e-03 -3.86626495e-15] [-1.11122308e-03 1.22241479e-03 3.24740235e-15] [-1.22153774e-03 3.20335946e-03 -1.19426604e-13] [ 1.22153774e-03 -3.20335946e-03 -6.66411371e-14] [ 8.27736317e-14 -1.13996052e-13 1.09286105e-03] [ 1.82076576e-14 -4.99600361e-14 -1.09286105e-03] [ 1.11122308e-03 -1.22241479e-03 2.70277072e-14] [-1.11122308e-03 1.22241479e-03 -1.03092116e-13] [-1.22153774e-03 3.20335946e-03 6.37751307e-15] [ 1.22153774e-03 -3.20335946e-03 -1.46989751e-13] [ 5.29784550e-14 9.23315612e-14 1.09286105e-03] [ 8.34610159e-14 2.53026635e-15 -1.09286105e-03] [ 1.04101750e-03 -3.12959892e-04 -1.94738287e-03] [-1.04101750e-03 3.12959892e-04 -1.94738287e-03] [-5.61001119e-04 -7.92824225e-04 -3.52980052e-03] [ 5.61001119e-04 7.92824225e-04 -3.52980052e-03] [ 1.04101750e-03 -3.12959892e-04 1.94738287e-03] [-1.04101750e-03 3.12959892e-04 1.94738287e-03] [ 5.61001119e-04 7.92824225e-04 3.52980052e-03] [-5.61001119e-04 -7.92824225e-04 3.52980052e-03] [ 1.04101750e-03 -3.12959892e-04 -1.94738287e-03] [-1.04101750e-03 3.12959893e-04 -1.94738287e-03] [-5.61001119e-04 -7.92824225e-04 -3.52980052e-03] [ 5.61001119e-04 7.92824225e-04 -3.52980052e-03] [ 1.04101750e-03 -3.12959892e-04 1.94738287e-03] [-1.04101750e-03 3.12959892e-04 1.94738287e-03] [ 5.61001119e-04 7.92824225e-04 3.52980052e-03] [-5.61001119e-04 -7.92824225e-04 3.52980052e-03] [-2.12524442e-13 -6.97220059e-13 5.62522251e-13] [-3.50758485e-13 1.30899435e-13 6.95008180e-14] [-1.40851622e-03 -1.30972827e-04 2.54215614e-04] [ 1.40851622e-03 1.30972827e-04 2.54215614e-04] [-1.40851622e-03 -1.30972828e-04 -2.54215614e-04] [ 1.40851622e-03 1.30972829e-04 -2.54215616e-04] [ 1.24424353e-03 -1.42105450e-03 1.24096135e-03] [ 1.24424353e-03 -1.42105450e-03 -1.24096135e-03] [-1.24424353e-03 1.42105450e-03 1.24096135e-03] [-1.24424353e-03 1.42105450e-03 -1.24096135e-03] [-1.95300801e-03 -2.34249435e-03 4.72177852e-13] [-2.47368474e-03 2.08653889e-03 2.87610213e-13] [ 2.47368474e-03 -2.08653889e-03 5.23742508e-13] [ 1.95300801e-03 2.34249435e-03 -2.79790080e-13] [-1.40851622e-03 -1.30972826e-04 2.54215613e-04] [ 1.40851622e-03 1.30972826e-04 2.54215613e-04] [-1.40851622e-03 -1.30972826e-04 -2.54215613e-04] [ 1.40851622e-03 1.30972826e-04 -2.54215613e-04] [ 1.24424353e-03 -1.42105450e-03 1.24096135e-03] [ 1.24424353e-03 -1.42105450e-03 -1.24096135e-03] [-1.24424353e-03 1.42105450e-03 1.24096135e-03] [-1.24424353e-03 1.42105450e-03 -1.24096135e-03] [-1.95300801e-03 -2.34249435e-03 7.52244178e-13] [-2.47368475e-03 2.08653889e-03 1.06554806e-12] [ 2.47368474e-03 -2.08653889e-03 4.99290977e-13] [ 1.95300801e-03 2.34249435e-03 8.05246061e-13]] Final stress: [ 5.69262752e-05 -8.43627697e-05 5.66668459e-05 1.56262249e-16 9.97418613e-18 -5.71588190e-05] Minimization converged after 67 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.01988725e-03 -1.58702775e-03 -2.14829456e-13] [ 1.01988726e-03 1.58702775e-03 -2.46969112e-13] [-1.52658091e-03 -7.54111150e-03 5.13520650e-13] [ 1.52658091e-03 7.54111151e-03 -2.16299201e-13] [-2.93090205e-14 -4.20569395e-13 -1.10779476e-03] [-2.16354712e-13 2.86271007e-13 1.10779476e-03] [-1.01988726e-03 -1.58702775e-03 2.70759747e-13] [ 1.01988725e-03 1.58702775e-03 -2.16368894e-13] [-1.52658091e-03 -7.54111150e-03 -2.15621900e-13] [ 1.52658091e-03 7.54111151e-03 -6.16392871e-14] [ 8.28291429e-14 3.04295192e-13 -1.10779476e-03] [-5.66517319e-14 -3.95556689e-14 1.10779476e-03] [-1.63615994e-03 2.08886011e-03 -8.54783384e-03] [ 1.63615993e-03 -2.08886011e-03 -8.54783384e-03] [ 3.03015040e-03 6.07693319e-04 -3.77974485e-03] [-3.03015040e-03 -6.07693318e-04 -3.77974485e-03] [-1.63615993e-03 2.08886011e-03 8.54783384e-03] [ 1.63615993e-03 -2.08886011e-03 8.54783384e-03] [-3.03015039e-03 -6.07693318e-04 3.77974485e-03] [ 3.03015039e-03 6.07693319e-04 3.77974485e-03] [-1.63615994e-03 2.08886011e-03 -8.54783384e-03] [ 1.63615994e-03 -2.08886011e-03 -8.54783384e-03] [ 3.03015039e-03 6.07693318e-04 -3.77974485e-03] [-3.03015039e-03 -6.07693317e-04 -3.77974485e-03] [-1.63615994e-03 2.08886011e-03 8.54783384e-03] [ 1.63615994e-03 -2.08886011e-03 8.54783384e-03] [-3.03015039e-03 -6.07693317e-04 3.77974485e-03] [ 3.03015039e-03 6.07693318e-04 3.77974485e-03] [-2.14633866e-13 -2.06221151e-12 6.34048369e-13] [ 2.16064146e-13 -3.29859136e-13 3.38827686e-13] [-5.10647252e-03 -7.44244733e-04 1.84691556e-04] [ 5.10647252e-03 7.44244726e-04 1.84691550e-04] [-5.10647252e-03 -7.44244731e-04 -1.84691554e-04] [ 5.10647252e-03 7.44244730e-04 -1.84691554e-04] [-3.10335023e-03 -4.93378893e-03 -3.13514468e-03] [-3.10335023e-03 -4.93378893e-03 3.13514467e-03] [ 3.10335023e-03 4.93378892e-03 -3.13514468e-03] [ 3.10335023e-03 4.93378892e-03 3.13514467e-03] [-5.47291045e-03 -6.38848952e-03 -1.57762692e-13] [-5.90105389e-03 4.88854054e-03 -9.73396710e-13] [ 5.90105389e-03 -4.88854054e-03 6.59196656e-13] [ 5.47291045e-03 6.38848952e-03 -3.84721768e-13] [-5.10647252e-03 -7.44244725e-04 1.84691549e-04] [ 5.10647252e-03 7.44244728e-04 1.84691552e-04] [-5.10647252e-03 -7.44244723e-04 -1.84691546e-04] [ 5.10647252e-03 7.44244726e-04 -1.84691550e-04] [-3.10335023e-03 -4.93378892e-03 -3.13514467e-03] [-3.10335023e-03 -4.93378892e-03 3.13514467e-03] [ 3.10335023e-03 4.93378892e-03 -3.13514467e-03] [ 3.10335023e-03 4.93378892e-03 3.13514467e-03] [-5.47291044e-03 -6.38848952e-03 2.41533179e-12] [-5.90105389e-03 4.88854054e-03 2.95433436e-12] [ 5.90105389e-03 -4.88854054e-03 1.06865810e-13] [ 5.47291044e-03 6.38848953e-03 6.62085404e-13]] Final stress: [-9.18188423e-05 2.50055894e-04 -9.29179275e-05 -2.82658466e-16 1.24369725e-15 -6.06092552e-05] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.39844990e-02 -5.68321475e-12 -6.92051451e-13] [-2.39844990e-02 -1.21836985e-11 -6.60471677e-12] [ 3.10838551e-12 2.39844990e-02 1.29016194e-11] [ 9.18071175e-12 -2.39844990e-02 7.22502613e-12] [-2.92510515e-12 -1.30529079e-11 -6.60982250e-02] [ 1.07823195e-11 -3.82038845e-12 6.60982250e-02] [ 2.39844990e-02 -4.05229756e-12 2.99437372e-12] [-2.39844990e-02 -2.05209764e-12 4.45539035e-12] [-1.04602568e-12 2.39844990e-02 -1.90930234e-12] [-3.27784524e-12 -2.39844990e-02 -1.16406485e-12] [-2.16459923e-12 -4.94398801e-12 -6.60982250e-02] [-3.19889254e-12 -7.16945454e-13 6.60982250e-02] [-5.83094275e-02 -5.83094275e-02 -7.51962678e-03] [ 5.83094274e-02 5.83094275e-02 -7.51962678e-03] [ 5.83094275e-02 -5.83094275e-02 7.51962679e-03] [-5.83094274e-02 5.83094275e-02 7.51962677e-03] [-5.83094275e-02 -5.83094275e-02 7.51962678e-03] [ 5.83094275e-02 5.83094275e-02 7.51962678e-03] [-5.83094275e-02 5.83094275e-02 -7.51962678e-03] [ 5.83094275e-02 -5.83094275e-02 -7.51962679e-03] [-5.83094275e-02 -5.83094275e-02 -7.51962680e-03] [ 5.83094275e-02 5.83094275e-02 -7.51962680e-03] [ 5.83094275e-02 -5.83094275e-02 7.51962679e-03] [-5.83094275e-02 5.83094275e-02 7.51962680e-03] [-5.83094275e-02 -5.83094275e-02 7.51962680e-03] [ 5.83094275e-02 5.83094275e-02 7.51962679e-03] [-5.83094275e-02 5.83094275e-02 -7.51962680e-03] [ 5.83094275e-02 -5.83094275e-02 -7.51962680e-03] [ 3.76901288e-12 4.15978363e-12 5.10358422e-12] [-2.76802956e-11 9.81861741e-12 6.45217881e-12] [-3.06259462e-11 -2.38770775e-02 -1.39182186e-02] [-2.17900368e-11 2.38770775e-02 -1.39182186e-02] [-2.65192625e-11 -2.38770775e-02 1.39182186e-02] [-2.37889410e-11 2.38770776e-02 1.39182186e-02] [-2.38770775e-02 5.63482594e-12 -1.39182186e-02] [-2.38770775e-02 5.01969473e-12 1.39182186e-02] [ 2.38770775e-02 -4.70725802e-12 -1.39182186e-02] [ 2.38770775e-02 2.18820079e-12 1.39182186e-02] [-2.79999772e-02 -2.79999771e-02 -5.54423174e-12] [ 2.79999772e-02 -2.79999772e-02 1.67659810e-12] [-2.79999772e-02 2.79999772e-02 -1.99797748e-11] [ 2.79999772e-02 2.79999772e-02 -1.48080888e-11] [-1.32673109e-11 -2.38770775e-02 -1.39182186e-02] [ 9.47926633e-14 2.38770775e-02 -1.39182187e-02] [ 1.33273080e-12 -2.38770775e-02 1.39182186e-02] [ 4.65499514e-12 2.38770775e-02 1.39182187e-02] [-2.38770776e-02 -3.55046687e-12 -1.39182186e-02] [-2.38770775e-02 -1.03902200e-12 1.39182187e-02] [ 2.38770776e-02 -1.74285356e-11 -1.39182186e-02] [ 2.38770776e-02 -6.13665369e-12 1.39182186e-02] [-2.79999772e-02 -2.79999772e-02 1.13925261e-11] [ 2.79999772e-02 -2.79999772e-02 -6.02405556e-12] [-2.79999772e-02 2.79999772e-02 6.69651333e-13] [ 2.79999772e-02 2.79999772e-02 -1.40767133e-11]] Final stress: [-8.85682836e-04 -8.85682837e-04 -7.48528087e-04 -8.31431574e-15 6.57662375e-15 6.54502935e-15] Minimization converged after 53 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.38121881e-03 -6.74287015e-15 1.02700400e-13] [-2.38121881e-03 1.04111164e-13 1.21680443e-13] [ 1.13502523e-13 2.43297819e-03 -3.77646909e-03] [-7.48012763e-14 -2.43297819e-03 3.77646909e-03] [ 8.54351312e-17 -3.80166912e-03 6.14439762e-03] [-9.34530231e-14 3.80166912e-03 -6.14439763e-03] [ 2.38121881e-03 1.80216085e-14 -3.16368364e-14] [-2.38121881e-03 2.18224310e-13 -3.86073710e-14] [-3.28953444e-13 2.43297819e-03 -3.77646909e-03] [-1.40467932e-13 -2.43297819e-03 3.77646909e-03] [-2.97353288e-14 -3.80166912e-03 6.14439762e-03] [-1.52013818e-13 3.80166912e-03 -6.14439762e-03] [-4.57130865e-03 2.15401052e-03 -2.47049807e-04] [-7.26305762e-03 -6.03279025e-04 -1.81619710e-03] [-7.26305762e-03 6.03279024e-04 1.81619710e-03] [-4.57130865e-03 -2.15401052e-03 2.47049807e-04] [ 7.26305762e-03 6.03279024e-04 1.81619710e-03] [ 4.57130865e-03 -2.15401052e-03 2.47049807e-04] [ 7.26305762e-03 -6.03279024e-04 -1.81619710e-03] [ 4.57130865e-03 2.15401052e-03 -2.47049807e-04] [-4.57130865e-03 2.15401052e-03 -2.47049808e-04] [-7.26305762e-03 -6.03279024e-04 -1.81619710e-03] [-7.26305762e-03 6.03279025e-04 1.81619710e-03] [-4.57130865e-03 -2.15401052e-03 2.47049807e-04] [ 7.26305762e-03 6.03279025e-04 1.81619710e-03] [ 4.57130865e-03 -2.15401052e-03 2.47049806e-04] [ 7.26305762e-03 -6.03279024e-04 -1.81619710e-03] [ 4.57130865e-03 2.15401052e-03 -2.47049807e-04] [ 1.26915145e-12 8.22092394e-13 1.67391101e-12] [-7.68981233e-14 -4.84862764e-13 -1.51286355e-13] [ 4.95381514e-13 -4.89734105e-03 -2.82362516e-03] [-3.05588888e-14 -2.93298914e-03 5.05707942e-03] [-1.52638319e-14 2.93298914e-03 -5.05707943e-03] [-1.50900126e-13 4.89734106e-03 2.82362516e-03] [-1.00470200e-03 -2.66543502e-03 1.10118905e-03] [-1.00470200e-03 2.66543502e-03 -1.10118905e-03] [ 1.00470200e-03 -2.66543502e-03 1.10118905e-03] [ 1.00470200e-03 2.66543502e-03 -1.10118905e-03] [ 1.95555274e-03 1.96384879e-03 -2.71663488e-03] [-1.95555274e-03 1.96384879e-03 -2.71663488e-03] [ 1.95555274e-03 -1.96384879e-03 2.71663487e-03] [-1.95555274e-03 -1.96384879e-03 2.71663488e-03] [ 5.68519190e-13 -4.89734105e-03 -2.82362516e-03] [-7.20174788e-14 -2.93298914e-03 5.05707942e-03] [ 6.35226680e-13 2.93298914e-03 -5.05707942e-03] [-2.99755880e-14 4.89734105e-03 2.82362517e-03] [-1.00470200e-03 -2.66543502e-03 1.10118905e-03] [-1.00470200e-03 2.66543502e-03 -1.10118905e-03] [ 1.00470200e-03 -2.66543502e-03 1.10118905e-03] [ 1.00470200e-03 2.66543502e-03 -1.10118905e-03] [ 1.95555274e-03 1.96384879e-03 -2.71663487e-03] [-1.95555274e-03 1.96384879e-03 -2.71663487e-03] [ 1.95555274e-03 -1.96384879e-03 2.71663488e-03] [-1.95555274e-03 -1.96384879e-03 2.71663488e-03]] Final stress: [ 7.96597377e-05 8.06564415e-05 -1.59909639e-04 -8.16643751e-05 1.01404226e-16 -4.22240546e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 30 steps. Final forces: [[-4.20486268e-02 7.33619780e-11 -2.31007973e-11] [ 4.20486267e-02 -1.44781798e-10 1.01724462e-10] [-4.10147524e-11 1.67634544e-02 4.28882360e-02] [-4.47638593e-11 -1.67634546e-02 -4.28882361e-02] [-5.59811419e-11 3.03179224e-02 -4.79360438e-02] [-1.30622485e-10 -3.03179224e-02 4.79360441e-02] [-4.20486268e-02 4.40259981e-11 7.14670426e-11] [ 4.20486268e-02 1.45232283e-10 -3.45668998e-11] [ 1.19916803e-10 1.67634544e-02 4.28882363e-02] [ 2.21431701e-11 -1.67634545e-02 -4.28882361e-02] [ 5.85684144e-11 3.03179226e-02 -4.79360441e-02] [ 3.88897048e-11 -3.03179224e-02 4.79360439e-02] [-7.91438634e-03 -1.67624547e-03 1.74574111e-02] [-2.30045508e-02 3.77372969e-02 1.13613397e-02] [-2.30045509e-02 -3.77372969e-02 -1.13613396e-02] [-7.91438633e-03 1.67624548e-03 -1.74574111e-02] [ 2.30045510e-02 -3.77372971e-02 -1.13613398e-02] [ 7.91438622e-03 1.67624543e-03 -1.74574111e-02] [ 2.30045507e-02 3.77372970e-02 1.13613400e-02] [ 7.91438619e-03 -1.67624528e-03 1.74574109e-02] [-7.91438620e-03 -1.67624548e-03 1.74574110e-02] [-2.30045509e-02 3.77372969e-02 1.13613397e-02] [-2.30045508e-02 -3.77372969e-02 -1.13613398e-02] [-7.91438641e-03 1.67624548e-03 -1.74574111e-02] [ 2.30045507e-02 -3.77372969e-02 -1.13613399e-02] [ 7.91438635e-03 1.67624557e-03 -1.74574112e-02] [ 2.30045510e-02 3.77372970e-02 1.13613398e-02] [ 7.91438620e-03 -1.67624544e-03 1.74574112e-02] [ 1.06465115e-11 -1.63682456e-10 -2.34288977e-10] [ 2.32117867e-11 -5.29411405e-11 5.48976437e-11] [ 5.06608089e-11 -2.77505366e-02 -5.31460011e-02] [ 5.43915503e-11 1.49803560e-02 -3.62510632e-02] [ 4.53925317e-11 -1.49803557e-02 3.62510635e-02] [-1.02337936e-10 2.77505363e-02 5.31460015e-02] [ 3.08886814e-03 1.27155025e-02 1.12985876e-03] [ 3.08886845e-03 -1.27155028e-02 -1.12985891e-03] [-3.08886765e-03 1.27155028e-02 1.12985915e-03] [-3.08886831e-03 -1.27155027e-02 -1.12985899e-03] [-4.95641186e-03 1.86442807e-02 9.42115583e-04] [ 4.95641172e-03 1.86442803e-02 9.42115431e-04] [-4.95641139e-03 -1.86442804e-02 -9.42115143e-04] [ 4.95641138e-03 -1.86442801e-02 -9.42115127e-04] [-1.33358517e-10 -2.77505328e-02 -5.31460050e-02] [ 1.80544014e-10 1.49803525e-02 -3.62510669e-02] [ 2.61370699e-11 -1.49803528e-02 3.62510664e-02] [-5.00573038e-11 2.77505329e-02 5.31460047e-02] [ 3.08886478e-03 1.27155023e-02 1.12986222e-03] [ 3.08886433e-03 -1.27155025e-02 -1.12986225e-03] [-3.08886465e-03 1.27155024e-02 1.12986241e-03] [-3.08886422e-03 -1.27155026e-02 -1.12986258e-03] [-4.95640696e-03 1.86442756e-02 9.42115489e-04] [ 4.95640683e-03 1.86442752e-02 9.42115232e-04] [-4.95640660e-03 -1.86442758e-02 -9.42115638e-04] [ 4.95640629e-03 -1.86442751e-02 -9.42115583e-04]] Final stress: [-1.28855929e-03 -1.87132010e-03 -5.40475213e-04 9.21509261e-05 -2.21072175e-13 4.51388944e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.81779133e-04 -6.71077777e-14 1.77957041e-13] [ 8.81779133e-04 2.05807593e-13 1.83131288e-13] [ 4.18242264e-13 -8.21086115e-04 -1.11416139e-03] [-6.70852263e-14 8.21086117e-04 1.11416139e-03] [-1.20653054e-13 -1.08419956e-03 -6.11676347e-03] [-3.50552920e-14 1.08419956e-03 6.11676347e-03] [-8.81779134e-04 3.59528813e-13 -2.66282751e-13] [ 8.81779134e-04 -3.22276927e-13 1.58970726e-13] [-3.65398250e-13 -8.21086116e-04 -1.11416139e-03] [ 1.39474370e-13 8.21086116e-04 1.11416139e-03] [-1.79192598e-13 -1.08419956e-03 -6.11676347e-03] [ 6.93473057e-14 1.08419956e-03 6.11676347e-03] [-6.76212876e-03 -1.36500447e-03 1.60153557e-03] [-2.92649972e-03 2.40308076e-03 5.06714555e-04] [-2.92649972e-03 -2.40308076e-03 -5.06714555e-04] [-6.76212876e-03 1.36500447e-03 -1.60153557e-03] [ 2.92649972e-03 -2.40308076e-03 -5.06714555e-04] [ 6.76212876e-03 1.36500447e-03 -1.60153557e-03] [ 2.92649972e-03 2.40308076e-03 5.06714554e-04] [ 6.76212876e-03 -1.36500447e-03 1.60153557e-03] [-6.76212876e-03 -1.36500447e-03 1.60153557e-03] [-2.92649972e-03 2.40308076e-03 5.06714554e-04] [-2.92649972e-03 -2.40308076e-03 -5.06714555e-04] [-6.76212876e-03 1.36500447e-03 -1.60153557e-03] [ 2.92649972e-03 -2.40308076e-03 -5.06714555e-04] [ 6.76212876e-03 1.36500447e-03 -1.60153557e-03] [ 2.92649972e-03 2.40308076e-03 5.06714554e-04] [ 6.76212876e-03 -1.36500447e-03 1.60153557e-03] [ 7.43377582e-13 -2.96568325e-13 1.36721190e-12] [ 2.45394850e-13 -5.94389371e-13 1.06920021e-13] [-2.88657986e-14 -4.46835641e-03 -5.19740912e-03] [ 5.60025984e-13 -4.66409613e-03 3.87944394e-03] [-9.63774199e-13 4.66409613e-03 -3.87944394e-03] [ 5.66385480e-13 4.46835642e-03 5.19740912e-03] [ 7.76704660e-05 -4.06138641e-03 -6.57257583e-04] [ 7.76704626e-05 4.06138642e-03 6.57257581e-04] [-7.76704678e-05 -4.06138641e-03 -6.57257585e-04] [-7.76704635e-05 4.06138641e-03 6.57257582e-04] [-2.61093334e-03 -2.59072129e-03 -3.95460689e-03] [ 2.61093334e-03 -2.59072128e-03 -3.95460689e-03] [-2.61093334e-03 2.59072129e-03 3.95460689e-03] [ 2.61093334e-03 2.59072129e-03 3.95460689e-03] [ 7.08799772e-13 -4.46835642e-03 -5.19740912e-03] [-9.04645716e-13 -4.66409613e-03 3.87944394e-03] [ 4.26839120e-13 4.66409613e-03 -3.87944394e-03] [-1.10572359e-12 4.46835641e-03 5.19740912e-03] [ 7.76704615e-05 -4.06138642e-03 -6.57257580e-04] [ 7.76704668e-05 4.06138641e-03 6.57257584e-04] [-7.76704632e-05 -4.06138641e-03 -6.57257581e-04] [-7.76704681e-05 4.06138641e-03 6.57257585e-04] [-2.61093334e-03 -2.59072129e-03 -3.95460689e-03] [ 2.61093334e-03 -2.59072129e-03 -3.95460689e-03] [-2.61093334e-03 2.59072129e-03 3.95460689e-03] [ 2.61093334e-03 2.59072129e-03 3.95460689e-03]] Final stress: [-8.04678010e-05 -7.97217055e-05 2.01754620e-04 -5.59763918e-05 -5.73630417e-16 3.85745672e-16] Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 6.21135526e-04 5.18205270e-14 -6.56965947e-04] [-6.21135526e-04 -4.92661467e-14 6.56965947e-04] [ 1.43184076e-14 6.05010499e-04 -8.60422844e-15] [ 1.45550239e-13 -6.05010499e-04 -7.91033905e-15] [-6.53243358e-04 1.61329283e-15 2.85785245e-03] [ 6.53243359e-04 1.02584607e-13 -2.85785245e-03] [ 6.21135526e-04 2.81042550e-14 -6.56965947e-04] [-6.21135526e-04 9.14390091e-14 6.56965947e-04] [ 7.63911503e-14 6.05010498e-04 -1.29640103e-13] [-5.15737626e-14 -6.05010498e-04 1.24357036e-13] [-6.53243358e-04 -7.72736022e-15 2.85785245e-03] [ 6.53243358e-04 1.41070126e-14 -2.85785245e-03] [ 9.83574659e-04 -1.40055710e-03 -2.55543922e-04] [-5.87774895e-04 -2.95587849e-03 -6.47222611e-04] [-9.83574659e-04 -1.40055710e-03 2.55543922e-04] [ 5.87774895e-04 -2.95587849e-03 6.47222612e-04] [ 5.87774895e-04 2.95587849e-03 6.47222611e-04] [-9.83574659e-04 1.40055710e-03 2.55543922e-04] [ 9.83574659e-04 1.40055710e-03 -2.55543922e-04] [-5.87774895e-04 2.95587849e-03 -6.47222611e-04] [ 9.83574659e-04 -1.40055710e-03 -2.55543922e-04] [-5.87774895e-04 -2.95587849e-03 -6.47222612e-04] [-9.83574659e-04 -1.40055710e-03 2.55543922e-04] [ 5.87774895e-04 -2.95587849e-03 6.47222612e-04] [ 5.87774895e-04 2.95587849e-03 6.47222612e-04] [-9.83574659e-04 1.40055710e-03 2.55543922e-04] [ 9.83574659e-04 1.40055710e-03 -2.55543922e-04] [-5.87774895e-04 2.95587849e-03 -6.47222612e-04] [ 3.11944914e-13 -8.98447983e-14 6.72017997e-13] [ 3.15913094e-13 -1.67991261e-13 -1.47806067e-13] [-1.53091419e-03 -9.87331687e-05 4.49610919e-04] [-1.53091419e-03 9.87331681e-05 4.49610918e-04] [ 1.53091419e-03 -9.87331698e-05 -4.49610919e-04] [ 1.53091419e-03 9.87331693e-05 -4.49610919e-04] [-2.06800264e-03 -6.03961325e-14 -1.52408105e-03] [ 1.88032553e-03 -7.55139007e-13 -2.42771952e-03] [-1.88032553e-03 -9.28736255e-14 2.42771951e-03] [ 2.06800264e-03 -2.93081531e-14 1.52408105e-03] [ 1.21263773e-03 1.20982726e-03 -1.54238010e-03] [-1.21263773e-03 1.20982726e-03 1.54238010e-03] [ 1.21263773e-03 -1.20982726e-03 -1.54238010e-03] [-1.21263773e-03 -1.20982726e-03 1.54238010e-03] [-1.53091419e-03 -9.87331707e-05 4.49610921e-04] [-1.53091419e-03 9.87331706e-05 4.49610921e-04] [ 1.53091419e-03 -9.87331711e-05 -4.49610921e-04] [ 1.53091419e-03 9.87331708e-05 -4.49610921e-04] [-2.06800264e-03 1.35288654e-13 -1.52408105e-03] [ 1.88032553e-03 9.89210883e-14 -2.42771951e-03] [-1.88032553e-03 -2.46233589e-13 2.42771951e-03] [ 2.06800264e-03 -1.69750065e-13 1.52408105e-03] [ 1.21263773e-03 1.20982726e-03 -1.54238010e-03] [-1.21263773e-03 1.20982726e-03 1.54238010e-03] [ 1.21263773e-03 -1.20982726e-03 -1.54238010e-03] [-1.21263773e-03 -1.20982726e-03 1.54238010e-03]] Final stress: [ 5.40256251e-05 5.38257040e-05 -8.19315695e-05 -3.84006166e-16 -5.16541066e-05 7.64687604e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.74332811e-03 2.44864892e-14 2.90326662e-03] [ 1.74332811e-03 1.13187237e-13 -2.90326662e-03] [-2.63526180e-14 -1.77584638e-03 -1.14019905e-13] [ 1.54570801e-13 1.77584638e-03 1.56846758e-13] [ 2.88429142e-03 2.99742436e-13 -4.61902478e-03] [-2.88429142e-03 -2.20962137e-13 4.61902477e-03] [-1.74332811e-03 5.21570634e-14 2.90326662e-03] [ 1.74332811e-03 6.33577392e-14 -2.90326662e-03] [-8.51428303e-14 -1.77584638e-03 -2.85063492e-14] [-5.39832935e-14 1.77584638e-03 -1.31614387e-13] [ 2.88429142e-03 -1.59380470e-13 -4.61902477e-03] [-2.88429142e-03 1.61995944e-13 4.61902477e-03] [-1.73241618e-03 3.56697435e-03 3.19966273e-04] [ 4.50199022e-04 5.79343787e-03 1.58754145e-03] [ 1.73241618e-03 3.56697435e-03 -3.19966274e-04] [-4.50199022e-04 5.79343787e-03 -1.58754145e-03] [-4.50199022e-04 -5.79343787e-03 -1.58754145e-03] [ 1.73241618e-03 -3.56697435e-03 -3.19966274e-04] [-1.73241618e-03 -3.56697435e-03 3.19966273e-04] [ 4.50199022e-04 -5.79343786e-03 1.58754145e-03] [-1.73241618e-03 3.56697435e-03 3.19966273e-04] [ 4.50199022e-04 5.79343787e-03 1.58754145e-03] [ 1.73241618e-03 3.56697435e-03 -3.19966274e-04] [-4.50199022e-04 5.79343787e-03 -1.58754145e-03] [-4.50199022e-04 -5.79343787e-03 -1.58754145e-03] [ 1.73241618e-03 -3.56697435e-03 -3.19966274e-04] [-1.73241618e-03 -3.56697435e-03 3.19966273e-04] [ 4.50199022e-04 -5.79343786e-03 1.58754145e-03] [ 2.36893838e-13 -5.79813975e-14 1.46677115e-12] [ 9.34457806e-13 -9.54852461e-13 -7.33762959e-13] [ 2.10607267e-03 1.07349206e-03 -7.37699908e-04] [ 2.10607267e-03 -1.07349206e-03 -7.37699907e-04] [-2.10607267e-03 1.07349206e-03 7.37699908e-04] [-2.10607267e-03 -1.07349206e-03 7.37699908e-04] [ 4.13115858e-03 -5.28910249e-13 2.30448121e-03] [-1.96933614e-03 5.41129641e-14 3.77457886e-03] [ 1.96933614e-03 -3.62097505e-13 -3.77457886e-03] [-4.13115858e-03 1.16372190e-13 -2.30448120e-03] [-1.31641392e-03 -1.32052549e-03 2.07968810e-03] [ 1.31641392e-03 -1.32052549e-03 -2.07968810e-03] [-1.31641392e-03 1.32052549e-03 2.07968810e-03] [ 1.31641392e-03 1.32052549e-03 -2.07968810e-03] [ 2.10607266e-03 1.07349206e-03 -7.37699908e-04] [ 2.10607267e-03 -1.07349206e-03 -7.37699909e-04] [-2.10607266e-03 1.07349206e-03 7.37699908e-04] [-2.10607266e-03 -1.07349206e-03 7.37699908e-04] [ 4.13115858e-03 -2.37609661e-14 2.30448120e-03] [-1.96933614e-03 -3.04373280e-13 3.77457886e-03] [ 1.96933614e-03 -1.01906331e-13 -3.77457886e-03] [-4.13115858e-03 -1.14602858e-12 -2.30448121e-03] [-1.31641392e-03 -1.32052549e-03 2.07968810e-03] [ 1.31641392e-03 -1.32052549e-03 -2.07968810e-03] [-1.31641392e-03 1.32052549e-03 2.07968810e-03] [ 1.31641392e-03 1.32052549e-03 -2.07968810e-03]] Final stress: [-7.32581443e-05 -7.37262199e-05 1.19095762e-04 8.81229337e-17 7.49923711e-05 -3.39190160e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 31 steps. Final forces: [[ 5.45223649e-03 -2.40889635e-11 -4.49400982e-02] [-5.45223639e-03 -9.95711846e-11 4.49400985e-02] [ 1.93379032e-10 -6.81236085e-02 3.14679407e-11] [-6.78396228e-11 6.81236083e-02 -2.58904287e-11] [-4.67511607e-02 3.59953490e-11 -9.23457737e-02] [ 4.67511607e-02 3.26654592e-10 9.23457732e-02] [ 5.45223676e-03 2.46286264e-10 -4.49400984e-02] [-5.45223653e-03 1.20690599e-11 4.49400982e-02] [-1.20815685e-10 -6.81236084e-02 1.76184463e-10] [-5.19608617e-11 6.81236086e-02 1.83508174e-11] [-4.67511605e-02 8.35903736e-11 -9.23457736e-02] [ 4.67511605e-02 -1.13253285e-10 9.23457734e-02] [-6.09135803e-02 4.01631980e-02 2.91891932e-02] [-2.82728303e-03 1.71897924e-02 3.64775431e-02] [ 6.09135804e-02 4.01631980e-02 -2.91891933e-02] [ 2.82728330e-03 1.71897924e-02 -3.64775433e-02] [ 2.82728353e-03 -1.71897921e-02 -3.64775430e-02] [ 6.09135803e-02 -4.01631979e-02 -2.91891929e-02] [-6.09135805e-02 -4.01631981e-02 2.91891933e-02] [-2.82728344e-03 -1.71897919e-02 3.64775430e-02] [-6.09135806e-02 4.01631978e-02 2.91891930e-02] [-2.82728321e-03 1.71897921e-02 3.64775433e-02] [ 6.09135806e-02 4.01631976e-02 -2.91891933e-02] [ 2.82728295e-03 1.71897921e-02 -3.64775431e-02] [ 2.82728304e-03 -1.71897921e-02 -3.64775430e-02] [ 6.09135804e-02 -4.01631981e-02 -2.91891933e-02] [-6.09135801e-02 -4.01631981e-02 2.91891928e-02] [-2.82728317e-03 -1.71897921e-02 3.64775431e-02] [ 1.13867027e-10 2.37476788e-10 -9.26099752e-11] [-1.84981514e-10 -5.14442925e-10 3.94637014e-11] [-3.51061351e-02 -9.11705861e-03 2.95860373e-03] [-3.51061350e-02 9.11705849e-03 2.95860412e-03] [ 3.51061348e-02 -9.11705878e-03 -2.95860405e-03] [ 3.51061349e-02 9.11705905e-03 -2.95860409e-03] [-4.66596608e-02 1.55048419e-10 -4.10452061e-02] [-6.35686731e-02 5.13814841e-11 9.10756860e-02] [ 6.35686728e-02 8.77318235e-11 -9.10756867e-02] [ 4.66596610e-02 -1.44301456e-10 4.10452063e-02] [ 2.85732552e-02 8.58061984e-03 -8.53265779e-04] [-2.85732549e-02 8.58062000e-03 8.53265091e-04] [ 2.85732550e-02 -8.58061950e-03 -8.53265259e-04] [-2.85732548e-02 -8.58061986e-03 8.53265135e-04] [-3.51061350e-02 -9.11705683e-03 2.95860224e-03] [-3.51061352e-02 9.11705709e-03 2.95860218e-03] [ 3.51061348e-02 -9.11705646e-03 -2.95860209e-03] [ 3.51061351e-02 9.11705609e-03 -2.95860185e-03] [-4.66596632e-02 -1.26129939e-10 -4.10452039e-02] [-6.35686748e-02 -1.77624557e-10 9.10756849e-02] [ 6.35686752e-02 -3.19475492e-11 -9.10756843e-02] [ 4.66596625e-02 -2.00811945e-11 4.10452047e-02] [ 2.85732577e-02 8.58061664e-03 -8.53264832e-04] [-2.85732576e-02 8.58061716e-03 8.53265571e-04] [ 2.85732580e-02 -8.58061703e-03 -8.53265140e-04] [-2.85732576e-02 -8.58061731e-03 8.53265101e-04]] Final stress: [-2.05253050e-03 -1.58703199e-03 -8.59925427e-04 1.11766483e-13 5.43186892e-05 6.72062071e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.02186024e-03 1.91638032e-03 2.91816050e-13] [-3.02186024e-03 -1.91638033e-03 1.60427227e-13] [ 1.91638032e-03 3.02186024e-03 1.77531601e-14] [-1.91638032e-03 -3.02186024e-03 2.26846320e-13] [-1.23612492e-13 2.92293099e-13 6.80867066e-03] [-9.76996262e-15 -6.86950496e-14 -6.80867066e-03] [ 3.02186024e-03 1.91638033e-03 -1.70632333e-13] [-3.02186024e-03 -1.91638032e-03 9.69598137e-14] [ 1.91638033e-03 3.02186024e-03 1.07216933e-13] [-1.91638032e-03 -3.02186024e-03 -2.70070255e-13] [-1.74725685e-14 -4.11165145e-13 6.80867066e-03] [-2.88141472e-13 1.70691329e-13 -6.80867066e-03] [ 1.42983533e-03 1.42983533e-03 4.97798102e-03] [-1.42983533e-03 -1.42983533e-03 4.97798102e-03] [-2.01757322e-03 2.01757322e-03 6.91672873e-03] [ 2.01757322e-03 -2.01757322e-03 6.91672873e-03] [ 1.42983533e-03 1.42983533e-03 -4.97798102e-03] [-1.42983533e-03 -1.42983533e-03 -4.97798102e-03] [ 2.01757322e-03 -2.01757322e-03 -6.91672873e-03] [-2.01757322e-03 2.01757322e-03 -6.91672873e-03] [ 1.42983533e-03 1.42983533e-03 4.97798102e-03] [-1.42983533e-03 -1.42983533e-03 4.97798102e-03] [-2.01757322e-03 2.01757322e-03 6.91672873e-03] [ 2.01757322e-03 -2.01757322e-03 6.91672873e-03] [ 1.42983533e-03 1.42983533e-03 -4.97798102e-03] [-1.42983533e-03 -1.42983533e-03 -4.97798102e-03] [ 2.01757322e-03 -2.01757322e-03 -6.91672873e-03] [-2.01757322e-03 2.01757322e-03 -6.91672873e-03] [-2.88796764e-13 -3.43919337e-13 1.52855506e-12] [ 1.35347289e-12 -2.26761509e-12 6.73389575e-13] [ 2.98131871e-03 5.64928226e-03 -5.17601664e-03] [-2.98131870e-03 -5.64928226e-03 -5.17601664e-03] [ 2.98131871e-03 5.64928225e-03 5.17601664e-03] [-2.98131871e-03 -5.64928225e-03 5.17601664e-03] [ 5.64928226e-03 2.98131870e-03 -5.17601664e-03] [ 5.64928225e-03 2.98131871e-03 5.17601664e-03] [-5.64928225e-03 -2.98131871e-03 -5.17601664e-03] [-5.64928225e-03 -2.98131871e-03 5.17601663e-03] [ 8.35983479e-03 8.35983478e-03 -1.62425629e-12] [ 2.00680136e-03 -2.00680136e-03 -2.83467694e-13] [-2.00680136e-03 2.00680136e-03 -3.17536275e-12] [-8.35983478e-03 -8.35983478e-03 -2.23433771e-12] [ 2.98131870e-03 5.64928225e-03 -5.17601664e-03] [-2.98131871e-03 -5.64928225e-03 -5.17601664e-03] [ 2.98131870e-03 5.64928226e-03 5.17601664e-03] [-2.98131871e-03 -5.64928225e-03 5.17601664e-03] [ 5.64928225e-03 2.98131871e-03 -5.17601663e-03] [ 5.64928226e-03 2.98131870e-03 5.17601664e-03] [-5.64928225e-03 -2.98131871e-03 -5.17601664e-03] [-5.64928226e-03 -2.98131871e-03 5.17601664e-03] [ 8.35983478e-03 8.35983479e-03 3.00269220e-12] [ 2.00680136e-03 -2.00680136e-03 1.54473028e-12] [-2.00680136e-03 2.00680136e-03 2.76308610e-12] [-8.35983479e-03 -8.35983478e-03 3.15108313e-12]] Final stress: [ 7.10577091e-05 7.10577091e-05 -1.87112694e-04 -3.32472871e-18 -4.82085663e-17 6.40486574e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.55178707e-04 6.64030008e-06 -3.64291930e-16] [-1.55178707e-04 -6.64030007e-06 -1.27953204e-14] [ 6.64030012e-06 1.55178707e-04 -2.59341160e-16] [-6.64030008e-06 -1.55178707e-04 1.77635684e-15] [-1.71763645e-14 -1.31448671e-14 6.03098521e-04] [-9.15933995e-15 -1.32949207e-14 -6.03098521e-04] [ 1.55178707e-04 6.64030012e-06 6.80045960e-15] [-1.55178707e-04 -6.64030010e-06 2.34155198e-14] [ 6.64030009e-06 1.55178707e-04 8.03015326e-15] [-6.64030010e-06 -1.55178707e-04 -1.34880433e-14] [ 1.56125113e-14 -5.60811303e-15 6.03098521e-04] [-1.03142321e-14 2.01374366e-14 -6.03098521e-04] [ 1.43524231e-04 1.43524231e-04 -5.55030729e-04] [-1.43524231e-04 -1.43524231e-04 -5.55030729e-04] [-1.84626965e-04 1.84626965e-04 -2.45603402e-04] [ 1.84626965e-04 -1.84626965e-04 -2.45603402e-04] [ 1.43524231e-04 1.43524231e-04 5.55030729e-04] [-1.43524231e-04 -1.43524231e-04 5.55030729e-04] [ 1.84626965e-04 -1.84626965e-04 2.45603402e-04] [-1.84626965e-04 1.84626965e-04 2.45603402e-04] [ 1.43524231e-04 1.43524231e-04 -5.55030729e-04] [-1.43524231e-04 -1.43524231e-04 -5.55030729e-04] [-1.84626965e-04 1.84626965e-04 -2.45603402e-04] [ 1.84626965e-04 -1.84626965e-04 -2.45603402e-04] [ 1.43524231e-04 1.43524231e-04 5.55030729e-04] [-1.43524231e-04 -1.43524231e-04 5.55030729e-04] [ 1.84626965e-04 -1.84626965e-04 2.45603402e-04] [-1.84626965e-04 1.84626965e-04 2.45603402e-04] [ 2.85882429e-14 -1.53488333e-14 0.00000000e+00] [-3.87762739e-14 -4.75094192e-14 8.62566965e-14] [-1.95625131e-04 1.89181664e-06 -3.70151909e-05] [ 1.95625131e-04 -1.89181675e-06 -3.70151910e-05] [-1.95625131e-04 1.89181674e-06 3.70151910e-05] [ 1.95625131e-04 -1.89181675e-06 3.70151910e-05] [ 1.89181679e-06 -1.95625131e-04 -3.70151911e-05] [ 1.89181676e-06 -1.95625131e-04 3.70151911e-05] [-1.89181683e-06 1.95625131e-04 -3.70151911e-05] [-1.89181682e-06 1.95625131e-04 3.70151912e-05] [-1.46906424e-04 -1.46906424e-04 9.21485110e-15] [-6.91722545e-04 6.91722545e-04 1.51755344e-13] [ 6.91722545e-04 -6.91722545e-04 -1.44016743e-14] [ 1.46906424e-04 1.46906424e-04 2.70217876e-14] [-1.95625131e-04 1.89181673e-06 -3.70151910e-05] [ 1.95625131e-04 -1.89181687e-06 -3.70151912e-05] [-1.95625131e-04 1.89181683e-06 3.70151912e-05] [ 1.95625131e-04 -1.89181675e-06 3.70151911e-05] [ 1.89181679e-06 -1.95625131e-04 -3.70151911e-05] [ 1.89181660e-06 -1.95625131e-04 3.70151909e-05] [-1.89181678e-06 1.95625131e-04 -3.70151910e-05] [-1.89181676e-06 1.95625131e-04 3.70151910e-05] [-1.46906424e-04 -1.46906424e-04 2.79691643e-14] [-6.91722545e-04 6.91722545e-04 -5.19217644e-16] [ 6.91722545e-04 -6.91722545e-04 -3.64239075e-15] [ 1.46906424e-04 1.46906424e-04 -4.62737487e-16]] Final stress: [ 3.87134958e-05 3.87134958e-05 -7.12611844e-06 -1.66236436e-17 8.31182178e-18 -4.62651294e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.19231679e-04 -1.30207297e-04 -2.13761300e-15] [ 1.19231679e-04 1.30207297e-04 1.16573418e-14] [-1.30207297e-04 -1.19231679e-04 1.23937319e-14] [ 1.30207297e-04 1.19231679e-04 -1.21014310e-14] [-1.60071609e-15 -1.29818031e-14 -5.72434326e-04] [-7.82707232e-15 1.55153668e-14 5.72434326e-04] [-1.19231679e-04 -1.30207297e-04 -3.22891753e-15] [ 1.19231679e-04 1.30207297e-04 -1.85888019e-14] [-1.30207297e-04 -1.19231679e-04 -2.29288427e-14] [ 1.30207297e-04 1.19231679e-04 1.60772411e-14] [-2.61847835e-14 1.09698348e-14 -5.72434326e-04] [-3.36666459e-15 -2.79817983e-14 5.72434326e-04] [-1.21632845e-04 -1.21632845e-04 4.55497305e-04] [ 1.21632845e-04 1.21632845e-04 4.55497305e-04] [ 2.13402869e-04 -2.13402869e-04 1.71962192e-04] [-2.13402869e-04 2.13402869e-04 1.71962192e-04] [-1.21632845e-04 -1.21632845e-04 -4.55497305e-04] [ 1.21632845e-04 1.21632845e-04 -4.55497305e-04] [-2.13402869e-04 2.13402869e-04 -1.71962192e-04] [ 2.13402869e-04 -2.13402869e-04 -1.71962192e-04] [-1.21632845e-04 -1.21632845e-04 4.55497305e-04] [ 1.21632845e-04 1.21632845e-04 4.55497305e-04] [ 2.13402869e-04 -2.13402869e-04 1.71962192e-04] [-2.13402869e-04 2.13402869e-04 1.71962192e-04] [-1.21632845e-04 -1.21632845e-04 -4.55497305e-04] [ 1.21632845e-04 1.21632845e-04 -4.55497305e-04] [-2.13402869e-04 2.13402869e-04 -1.71962192e-04] [ 2.13402869e-04 -2.13402869e-04 -1.71962192e-04] [ 4.94604357e-14 -5.77315973e-15 1.38028478e-13] [ 6.13593377e-14 -5.13608136e-14 -4.03052034e-14] [ 1.91367879e-04 -1.03449957e-04 1.10469402e-04] [-1.91367879e-04 1.03449957e-04 1.10469402e-04] [ 1.91367879e-04 -1.03449957e-04 -1.10469402e-04] [-1.91367879e-04 1.03449958e-04 -1.10469402e-04] [-1.03449958e-04 1.91367879e-04 1.10469402e-04] [-1.03449958e-04 1.91367879e-04 -1.10469402e-04] [ 1.03449958e-04 -1.91367879e-04 1.10469402e-04] [ 1.03449958e-04 -1.91367879e-04 -1.10469402e-04] [ 1.25151095e-04 1.25151095e-04 -2.90878432e-14] [ 7.12000598e-04 -7.12000598e-04 -8.92636659e-14] [-7.12000598e-04 7.12000598e-04 1.03502276e-13] [-1.25151095e-04 -1.25151095e-04 3.64153152e-14] [ 1.91367879e-04 -1.03449958e-04 1.10469402e-04] [-1.91367879e-04 1.03449958e-04 1.10469402e-04] [ 1.91367879e-04 -1.03449958e-04 -1.10469402e-04] [-1.91367879e-04 1.03449958e-04 -1.10469402e-04] [-1.03449958e-04 1.91367879e-04 1.10469402e-04] [-1.03449957e-04 1.91367879e-04 -1.10469402e-04] [ 1.03449958e-04 -1.91367879e-04 1.10469402e-04] [ 1.03449958e-04 -1.91367879e-04 -1.10469402e-04] [ 1.25151095e-04 1.25151095e-04 8.33485164e-14] [ 7.12000598e-04 -7.12000598e-04 1.00934913e-13] [-7.12000598e-04 7.12000598e-04 3.02852937e-14] [-1.25151095e-04 -1.25151095e-04 -4.87760873e-15]] Final stress: [-3.84626134e-05 -3.84626134e-05 6.91346060e-06 1.66269686e-18 -4.98809058e-18 4.49914144e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.14156974e-04 1.25766823e-04 -1.44263941e-14] [ 1.14156974e-04 -1.25766823e-04 -1.21014310e-14] [ 1.25766823e-04 -1.14156974e-04 1.28889954e-15] [-1.25766823e-04 1.14156974e-04 -5.82867088e-16] [ 9.53013710e-15 2.14325085e-15 -5.69210040e-04] [ 7.88258347e-15 3.83026943e-15 5.69210040e-04] [-1.14156974e-04 1.25766823e-04 1.24661681e-14] [ 1.14156974e-04 -1.25766823e-04 -3.54502439e-15] [ 1.25766823e-04 -1.14156974e-04 -1.53445416e-14] [-1.25766823e-04 1.14156974e-04 3.22451551e-15] [-2.01843750e-14 -1.50778964e-15 -5.69210040e-04] [-3.26631083e-14 1.13061788e-15 5.69210040e-04] [-2.10354245e-04 -2.10354245e-04 -1.73899384e-04] [ 2.10354245e-04 2.10354245e-04 -1.73899384e-04] [ 1.25004105e-04 -1.25004105e-04 -4.54631657e-04] [-1.25004105e-04 1.25004105e-04 -4.54631657e-04] [-2.10354245e-04 -2.10354245e-04 1.73899384e-04] [ 2.10354245e-04 2.10354245e-04 1.73899384e-04] [-1.25004105e-04 1.25004105e-04 4.54631657e-04] [ 1.25004105e-04 -1.25004105e-04 4.54631657e-04] [-2.10354245e-04 -2.10354245e-04 -1.73899384e-04] [ 2.10354245e-04 2.10354245e-04 -1.73899384e-04] [ 1.25004105e-04 -1.25004105e-04 -4.54631657e-04] [-1.25004105e-04 1.25004105e-04 -4.54631657e-04] [-2.10354245e-04 -2.10354245e-04 1.73899384e-04] [ 2.10354245e-04 2.10354245e-04 1.73899384e-04] [-1.25004105e-04 1.25004105e-04 4.54631657e-04] [ 1.25004105e-04 -1.25004105e-04 4.54631657e-04] [ 1.14963594e-13 -5.43454171e-14 6.18394225e-14] [-3.07514431e-14 4.93866344e-14 8.94600694e-14] [-1.97407107e-04 -1.22130660e-04 1.28711042e-04] [ 1.97407107e-04 1.22130660e-04 1.28711042e-04] [-1.97407107e-04 -1.22130660e-04 -1.28711042e-04] [ 1.97407107e-04 1.22130660e-04 -1.28711042e-04] [-1.22130659e-04 -1.97407107e-04 1.28711041e-04] [-1.22130659e-04 -1.97407107e-04 -1.28711041e-04] [ 1.22130659e-04 1.97407107e-04 1.28711041e-04] [ 1.22130659e-04 1.97407107e-04 -1.28711041e-04] [-7.10071275e-04 -7.10071274e-04 7.99360578e-14] [-1.20949799e-04 1.20949800e-04 1.04598621e-13] [ 1.20949800e-04 -1.20949799e-04 1.34028205e-13] [ 7.10071275e-04 7.10071275e-04 7.09918235e-14] [-1.97407107e-04 -1.22130660e-04 1.28711042e-04] [ 1.97407107e-04 1.22130659e-04 1.28711041e-04] [-1.97407107e-04 -1.22130660e-04 -1.28711042e-04] [ 1.97407107e-04 1.22130659e-04 -1.28711041e-04] [-1.22130660e-04 -1.97407107e-04 1.28711042e-04] [-1.22130660e-04 -1.97407107e-04 -1.28711042e-04] [ 1.22130659e-04 1.97407107e-04 1.28711042e-04] [ 1.22130660e-04 1.97407107e-04 -1.28711042e-04] [-7.10071275e-04 -7.10071275e-04 7.69146843e-15] [-1.20949800e-04 1.20949799e-04 -6.97377133e-15] [ 1.20949800e-04 -1.20949799e-04 -1.31708270e-14] [ 7.10071275e-04 7.10071275e-04 -6.08467270e-14]] Final stress: [-3.84211502e-05 -3.84211502e-05 6.86285568e-06 1.49642718e-17 2.66031498e-17 -4.50405919e-05] Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.54023284e-02 -4.69181985e-13 4.35474573e-13] [ 2.54023284e-02 -2.65121258e-13 4.87637708e-13] [ 5.16483991e-13 -1.86397690e-02 -3.50381182e-13] [ 3.96349620e-14 1.86397690e-02 4.53775906e-13] [ 2.53629583e-14 -4.59560775e-13 -1.86397690e-02] [-2.15633067e-13 -1.09678933e-12 1.86397690e-02] [-2.54023284e-02 -1.56191032e-13 3.41732363e-13] [ 2.54023284e-02 -2.03081475e-13 3.54018011e-13] [ 2.00464211e-13 -1.86397690e-02 6.60464362e-15] [ 2.34505124e-13 1.86397690e-02 -1.51911530e-13] [ 6.90487598e-13 -3.90962958e-13 -1.86397690e-02] [-1.35782878e-13 -2.86401548e-13 1.86397690e-02] [ 8.62432113e-03 -8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 -8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 -8.72503555e-03 8.72503555e-03] [-8.62432113e-03 8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 -8.72503555e-03 -8.72503555e-03] [ 8.62432113e-03 -8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 -8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 -8.72503555e-03 8.72503555e-03] [-8.62432113e-03 8.72503555e-03 8.72503555e-03] [ 8.62432113e-03 8.72503555e-03 -8.72503555e-03] [-8.62432113e-03 -8.72503555e-03 -8.72503555e-03] [-6.60915767e-13 2.36755060e-14 -1.28183575e-12] [-2.62035185e-13 6.14245450e-13 1.64140632e-12] [ 5.53446178e-13 -1.84630463e-02 -1.84630463e-02] [-3.10598769e-13 1.84630463e-02 -1.84630463e-02] [-8.26845536e-13 -1.84630463e-02 1.84630463e-02] [-1.14348635e-12 1.84630463e-02 1.84630463e-02] [-8.38138964e-04 4.02566869e-13 9.08736615e-04] [-8.38138964e-04 5.13278656e-13 -9.08736615e-04] [ 8.38138962e-04 5.38364492e-13 9.08736615e-04] [ 8.38138963e-04 4.59686109e-13 -9.08736616e-04] [-8.38138964e-04 9.08736616e-04 -1.62525549e-12] [ 8.38138965e-04 9.08736618e-04 7.31671668e-13] [-8.38138965e-04 -9.08736615e-04 -7.92118107e-13] [ 8.38138965e-04 -9.08736617e-04 -4.66659697e-13] [-2.66917998e-13 -1.84630463e-02 -1.84630463e-02] [-9.98031952e-13 1.84630463e-02 -1.84630463e-02] [-4.12893244e-13 -1.84630463e-02 1.84630463e-02] [-3.39548702e-13 1.84630463e-02 1.84630463e-02] [-8.38138964e-04 1.65929327e-12 9.08736615e-04] [-8.38138965e-04 -2.22560251e-13 -9.08736616e-04] [ 8.38138964e-04 1.18983165e-12 9.08736616e-04] [ 8.38138963e-04 1.66210795e-13 -9.08736615e-04] [-8.38138962e-04 9.08736615e-04 -8.12261720e-13] [ 8.38138963e-04 9.08736617e-04 -1.09670997e-12] [-8.38138963e-04 -9.08736615e-04 -2.03285902e-13] [ 8.38138963e-04 -9.08736615e-04 -4.24152033e-13]] Final stress: [ 8.12675508e-04 -1.37004944e-04 -1.37004944e-04 1.67936580e-16 7.83149795e-16 -4.80531403e-16] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.82933313e-02 -2.13921198e-12 4.44970233e-12] [-7.82933313e-02 -6.83675339e-13 5.02986541e-12] [ 2.02352284e-12 -6.92159956e-02 3.83485648e-12] [ 3.60225738e-12 6.92159957e-02 3.51879637e-12] [ 2.78025042e-12 -1.58088820e-13 7.40741594e-04] [ 2.75968137e-12 1.02695630e-15 -7.40741589e-04] [ 7.82933313e-02 -5.72148665e-13 4.95584275e-13] [-7.82933313e-02 4.87940417e-13 -5.84387539e-15] [-4.38151685e-12 -6.92159956e-02 -1.54814634e-12] [-2.74691381e-12 6.92159956e-02 -8.87227915e-13] [-2.14543704e-12 1.08893293e-13 7.40741584e-04] [-1.45524001e-12 -5.15299943e-13 -7.40741585e-04] [ 9.97022673e-03 -8.79239100e-03 -1.42545861e-03] [-9.97022673e-03 8.79239100e-03 -1.42545861e-03] [-9.97022673e-03 -8.79239100e-03 1.42545861e-03] [ 9.97022673e-03 8.79239100e-03 1.42545861e-03] [ 9.97022673e-03 -8.79239100e-03 1.42545861e-03] [-9.97022672e-03 8.79239100e-03 1.42545861e-03] [ 9.97022673e-03 8.79239100e-03 -1.42545861e-03] [-9.97022673e-03 -8.79239100e-03 -1.42545861e-03] [ 9.97022673e-03 -8.79239101e-03 -1.42545862e-03] [-9.97022673e-03 8.79239100e-03 -1.42545862e-03] [-9.97022673e-03 -8.79239100e-03 1.42545861e-03] [ 9.97022673e-03 8.79239100e-03 1.42545861e-03] [ 9.97022673e-03 -8.79239101e-03 1.42545861e-03] [-9.97022673e-03 8.79239100e-03 1.42545860e-03] [ 9.97022673e-03 8.79239100e-03 -1.42545862e-03] [-9.97022673e-03 -8.79239101e-03 -1.42545862e-03] [ 5.53940227e-12 -1.77174941e-12 1.28852484e-11] [-6.04177906e-12 -5.89292719e-12 -7.36573241e-12] [-6.42097486e-12 2.08190397e-02 -8.31468474e-03] [-2.23152920e-12 -2.08190397e-02 -8.31468473e-03] [-2.50383048e-13 2.08190397e-02 8.31468474e-03] [ 1.42528350e-13 -2.08190397e-02 8.31468472e-03] [-1.07546480e-02 -3.18189919e-13 2.11243706e-02] [-1.07546480e-02 -1.63184050e-12 -2.11243706e-02] [ 1.07546480e-02 -3.68566115e-12 2.11243706e-02] [ 1.07546480e-02 -7.08636622e-12 -2.11243706e-02] [-2.98352607e-02 3.03607550e-02 3.08253423e-12] [ 2.98352607e-02 3.03607550e-02 -1.07432986e-12] [-2.98352607e-02 -3.03607550e-02 1.88461573e-12] [ 2.98352607e-02 -3.03607550e-02 -2.75338780e-13] [-2.39438851e-12 2.08190397e-02 -8.31468472e-03] [-1.14916106e-12 -2.08190397e-02 -8.31468472e-03] [-1.24866220e-12 2.08190397e-02 8.31468474e-03] [-2.64327969e-12 -2.08190397e-02 8.31468474e-03] [-1.07546480e-02 -5.28468786e-12 2.11243706e-02] [-1.07546480e-02 -4.66505285e-12 -2.11243706e-02] [ 1.07546480e-02 -8.41456462e-12 2.11243706e-02] [ 1.07546480e-02 -5.58346468e-12 -2.11243706e-02] [-2.98352607e-02 3.03607550e-02 6.83411927e-12] [ 2.98352607e-02 3.03607550e-02 4.61709318e-12] [-2.98352607e-02 -3.03607550e-02 -2.20862655e-14] [ 2.98352607e-02 -3.03607550e-02 2.65387842e-12]] Final stress: [-7.12227232e-04 5.06121937e-04 -6.78916976e-05 5.30347256e-16 7.69751659e-16 -5.37828643e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.92159958e-02 -1.95180287e-12 3.49562740e-12] [ 6.92159958e-02 -1.54704027e-12 2.32355801e-12] [ 1.28621636e-12 7.82933315e-02 3.46107691e-12] [ 4.67043071e-13 -7.82933315e-02 3.78225229e-12] [ 5.15522521e-13 -8.87434657e-13 7.40741588e-04] [ 5.23192600e-13 -1.64757097e-12 -7.40741589e-04] [-6.92159958e-02 -1.04464137e-12 -1.58659821e-12] [ 6.92159958e-02 -2.26441088e-12 -2.11821421e-12] [-2.21185266e-12 7.82933316e-02 9.45751561e-13] [-1.69142087e-12 -7.82933315e-02 1.01601346e-12] [-6.60591373e-14 -2.55463332e-12 7.40741587e-04] [ 2.82510560e-13 -3.42105725e-12 -7.40741587e-04] [-8.79239102e-03 9.97022676e-03 -1.42545861e-03] [ 8.79239103e-03 -9.97022676e-03 -1.42545862e-03] [ 8.79239103e-03 9.97022676e-03 1.42545862e-03] [-8.79239103e-03 -9.97022675e-03 1.42545862e-03] [-8.79239102e-03 9.97022676e-03 1.42545862e-03] [ 8.79239103e-03 -9.97022675e-03 1.42545862e-03] [-8.79239102e-03 -9.97022676e-03 -1.42545862e-03] [ 8.79239102e-03 9.97022676e-03 -1.42545862e-03] [-8.79239103e-03 9.97022676e-03 -1.42545863e-03] [ 8.79239102e-03 -9.97022676e-03 -1.42545863e-03] [ 8.79239102e-03 9.97022677e-03 1.42545862e-03] [-8.79239103e-03 -9.97022676e-03 1.42545861e-03] [-8.79239103e-03 9.97022677e-03 1.42545861e-03] [ 8.79239102e-03 -9.97022676e-03 1.42545861e-03] [-8.79239103e-03 -9.97022676e-03 -1.42545863e-03] [ 8.79239102e-03 9.97022676e-03 -1.42545863e-03] [ 2.05516160e-12 -5.69264080e-12 1.72376557e-11] [-1.91173596e-12 -7.84913397e-12 -7.51562265e-12] [-2.31337172e-12 -1.07546480e-02 2.11243706e-02] [ 1.57885510e-12 1.07546480e-02 2.11243706e-02] [ 1.33865141e-12 -1.07546480e-02 -2.11243706e-02] [ 2.17799910e-12 1.07546480e-02 -2.11243707e-02] [ 2.08190397e-02 -7.35689287e-12 -8.31468474e-03] [ 2.08190397e-02 -8.56546431e-12 8.31468473e-03] [-2.08190398e-02 -9.06414006e-12 -8.31468475e-03] [-2.08190397e-02 -6.63967319e-12 8.31468474e-03] [ 3.03607551e-02 -2.98352608e-02 1.31450406e-12] [-3.03607551e-02 -2.98352608e-02 -2.60541241e-12] [ 3.03607551e-02 2.98352608e-02 1.32123132e-12] [-3.03607551e-02 2.98352608e-02 -1.43426070e-12] [-5.67750317e-12 -1.07546480e-02 2.11243707e-02] [-2.96385963e-12 1.07546480e-02 2.11243707e-02] [-1.65890695e-12 -1.07546480e-02 -2.11243706e-02] [-2.25675771e-12 1.07546480e-02 -2.11243707e-02] [ 2.08190397e-02 -2.42684767e-12 -8.31468474e-03] [ 2.08190398e-02 -3.19566899e-12 8.31468475e-03] [-2.08190397e-02 -4.11895821e-12 -8.31468475e-03] [-2.08190397e-02 -1.67506243e-12 8.31468475e-03] [ 3.03607551e-02 -2.98352607e-02 6.44351942e-12] [-3.03607551e-02 -2.98352607e-02 5.18524067e-12] [ 3.03607551e-02 2.98352608e-02 5.90242363e-12] [-3.03607551e-02 2.98352607e-02 3.79786003e-12]] Final stress: [ 5.06121938e-04 -7.12227234e-04 -6.78916979e-05 2.64841122e-15 9.01091575e-16 1.98339898e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.42840629e-04 -8.41418948e-14 -2.14897544e-14] [ 6.42840628e-04 1.43468570e-13 -3.05866443e-14] [-2.98407132e-14 -6.42840628e-04 -5.91107024e-14] [-2.16521245e-13 6.42840629e-04 -3.78586051e-14] [-6.70860936e-15 -4.42120299e-14 -1.87921969e-05] [-1.42386103e-14 -3.76643161e-14 1.87921965e-05] [-6.42840628e-04 3.57214258e-14 4.10148606e-14] [ 6.42840629e-04 -1.16096369e-15 2.26730259e-14] [ 7.91016558e-14 -6.42840628e-04 3.47881890e-14] [ 5.60766711e-14 6.42840628e-04 1.44807371e-14] [-3.39030019e-14 4.31932518e-14 -1.87921965e-05] [-2.81237707e-14 5.26876868e-14 1.87921969e-05] [-3.97479839e-05 -3.97479839e-05 -3.29413447e-04] [ 3.97479839e-05 3.97479840e-05 -3.29413447e-04] [ 3.97479841e-05 -3.97479843e-05 3.29413447e-04] [-3.97479840e-05 3.97479840e-05 3.29413447e-04] [-3.97479842e-05 -3.97479841e-05 3.29413447e-04] [ 3.97479841e-05 3.97479841e-05 3.29413447e-04] [-3.97479839e-05 3.97479839e-05 -3.29413447e-04] [ 3.97479841e-05 -3.97479841e-05 -3.29413447e-04] [-3.97479838e-05 -3.97479843e-05 -3.29413447e-04] [ 3.97479841e-05 3.97479841e-05 -3.29413447e-04] [ 3.97479840e-05 -3.97479838e-05 3.29413447e-04] [-3.97479841e-05 3.97479841e-05 3.29413447e-04] [-3.97479838e-05 -3.97479843e-05 3.29413447e-04] [ 3.97479841e-05 3.97479841e-05 3.29413447e-04] [-3.97479839e-05 3.97479842e-05 -3.29413447e-04] [ 3.97479840e-05 -3.97479838e-05 -3.29413447e-04] [ 3.34676731e-13 -2.51465515e-13 4.37427872e-14] [-3.29336385e-13 1.12205257e-13 -1.72541363e-13] [-3.34510197e-13 -1.53421295e-04 -1.13650383e-04] [-9.58851054e-14 1.53421295e-04 -1.13650382e-04] [-2.66954861e-13 -1.53421296e-04 1.13650382e-04] [-9.58660235e-14 1.53421296e-04 1.13650382e-04] [-1.53421296e-04 1.30895295e-13 -1.13650383e-04] [-1.53421296e-04 4.31290420e-13 1.13650382e-04] [ 1.53421295e-04 -4.09880463e-14 -1.13650383e-04] [ 1.53421296e-04 1.06801720e-13 1.13650382e-04] [ 8.44596278e-05 8.44596285e-05 -7.72715225e-14] [-8.44596276e-05 8.44596285e-05 4.34808439e-14] [ 8.44596283e-05 -8.44596281e-05 -3.98483330e-14] [-8.44596288e-05 -8.44596276e-05 -1.35053427e-13] [ 3.44213373e-13 -1.53421296e-04 -1.13650382e-04] [-1.18832895e-14 1.53421295e-04 -1.13650383e-04] [ 2.72697663e-13 -1.53421296e-04 1.13650382e-04] [-4.92618099e-14 1.53421295e-04 1.13650383e-04] [-1.53421296e-04 -3.92091934e-13 -1.13650382e-04] [-1.53421295e-04 -5.42142720e-13 1.13650383e-04] [ 1.53421296e-04 -2.88979344e-13 -1.13650382e-04] [ 1.53421296e-04 -1.48014413e-13 1.13650383e-04] [ 8.44596282e-05 8.44596281e-05 4.65160468e-13] [-8.44596282e-05 8.44596283e-05 4.76973299e-13] [ 8.44596280e-05 -8.44596283e-05 5.08367315e-13] [-8.44596276e-05 -8.44596286e-05 6.32820185e-13]] Final stress: [-1.70066261e-05 -1.70066261e-05 -5.51124792e-05 -1.34681811e-16 -5.81958444e-17 5.65331060e-17] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.82933318e-02 -8.85942361e-13 4.72874300e-12] [-7.82933318e-02 1.03725362e-12 3.61366492e-12] [ 4.70956737e-12 7.40741596e-04 1.39398042e-14] [ 4.96278019e-12 -7.40741586e-04 1.11255449e-12] [ 3.55196992e-12 -2.08393632e-13 -6.92159960e-02] [ 4.15148471e-12 2.59237076e-13 6.92159960e-02] [ 7.82933318e-02 -1.07915499e-12 -4.38593883e-14] [-7.82933318e-02 -2.07451677e-13 -3.19082766e-13] [-3.74989102e-13 7.40741594e-04 -1.13711463e-12] [-1.17806676e-12 -7.40741589e-04 -1.45321546e-12] [-2.22790102e-13 -7.43223961e-13 -6.92159960e-02] [-1.49887481e-12 -1.54112860e-12 6.92159960e-02] [ 9.97022680e-03 -1.42545863e-03 -8.79239105e-03] [-9.97022679e-03 1.42545863e-03 -8.79239105e-03] [-9.97022680e-03 -1.42545862e-03 8.79239105e-03] [ 9.97022680e-03 1.42545863e-03 8.79239105e-03] [ 9.97022680e-03 -1.42545863e-03 8.79239105e-03] [-9.97022679e-03 1.42545863e-03 8.79239105e-03] [ 9.97022680e-03 1.42545863e-03 -8.79239105e-03] [-9.97022679e-03 -1.42545863e-03 -8.79239105e-03] [ 9.97022679e-03 -1.42545863e-03 -8.79239105e-03] [-9.97022680e-03 1.42545863e-03 -8.79239105e-03] [-9.97022680e-03 -1.42545863e-03 8.79239105e-03] [ 9.97022679e-03 1.42545863e-03 8.79239105e-03] [ 9.97022679e-03 -1.42545863e-03 8.79239105e-03] [-9.97022680e-03 1.42545863e-03 8.79239105e-03] [ 9.97022679e-03 1.42545863e-03 -8.79239106e-03] [-9.97022680e-03 -1.42545863e-03 -8.79239105e-03] [ 5.73141534e-12 -4.67192951e-12 4.96180874e-12] [-4.19604239e-12 -1.92952912e-12 1.15288401e-12] [ 2.22100116e-12 -8.31468476e-03 2.08190398e-02] [ 4.46299595e-12 8.31468475e-03 2.08190398e-02] [-1.67953498e-12 -8.31468476e-03 -2.08190398e-02] [-2.27934685e-12 8.31468476e-03 -2.08190398e-02] [-2.98352609e-02 -7.10653758e-12 3.03607552e-02] [-2.98352609e-02 -9.43988637e-12 -3.03607552e-02] [ 2.98352609e-02 -6.34915905e-12 3.03607552e-02] [ 2.98352609e-02 -9.30328384e-12 -3.03607552e-02] [-1.07546480e-02 2.11243708e-02 -3.09696713e-12] [ 1.07546480e-02 2.11243708e-02 1.16639857e-12] [-1.07546480e-02 -2.11243708e-02 -1.90381218e-12] [ 1.07546480e-02 -2.11243708e-02 4.26742669e-12] [-5.50422121e-13 -8.31468476e-03 2.08190398e-02] [-2.72471585e-12 8.31468478e-03 2.08190398e-02] [ 3.80188979e-12 -8.31468477e-03 -2.08190398e-02] [-3.87973941e-13 8.31468478e-03 -2.08190399e-02] [-2.98352609e-02 -3.53565056e-12 3.03607552e-02] [-2.98352609e-02 -2.03645737e-12 -3.03607552e-02] [ 2.98352609e-02 -1.19592183e-12 3.03607552e-02] [ 2.98352609e-02 -1.00894987e-13 -3.03607552e-02] [-1.07546480e-02 2.11243708e-02 3.35412356e-12] [ 1.07546480e-02 2.11243708e-02 -1.83768152e-12] [-1.07546480e-02 -2.11243708e-02 -1.88213604e-12] [ 1.07546480e-02 -2.11243708e-02 -3.25564922e-12]] Final stress: [-7.12227236e-04 -6.78916984e-05 5.06121939e-04 5.10396889e-16 2.55364697e-15 1.25188553e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.92159960e-02 -1.88257613e-12 -3.42241643e-13] [ 6.92159960e-02 -1.73291936e-12 -1.49419366e-12] [ 2.87438909e-13 7.40741592e-04 1.05376905e-12] [ 5.50587353e-13 -7.40741586e-04 5.76400039e-13] [ 2.32122698e-12 2.38246055e-13 7.82933318e-02] [ 4.01212397e-12 1.56491486e-12 -7.82933318e-02] [-6.92159960e-02 -1.79314246e-12 -2.84836751e-12] [ 6.92159960e-02 -2.17052548e-12 -2.04509304e-12] [-2.46661198e-12 7.40741595e-04 -2.47370677e-12] [ 4.98024365e-13 -7.40741592e-04 -2.38371554e-12] [-1.48266642e-12 6.63888583e-13 7.82933318e-02] [-8.83996435e-13 -8.92472162e-13 -7.82933318e-02] [-8.79239105e-03 -1.42545862e-03 9.97022680e-03] [ 8.79239106e-03 1.42545863e-03 9.97022680e-03] [ 8.79239106e-03 -1.42545863e-03 -9.97022680e-03] [-8.79239105e-03 1.42545863e-03 -9.97022680e-03] [-8.79239105e-03 -1.42545862e-03 -9.97022680e-03] [ 8.79239106e-03 1.42545863e-03 -9.97022680e-03] [-8.79239105e-03 1.42545863e-03 9.97022680e-03] [ 8.79239105e-03 -1.42545863e-03 9.97022680e-03] [-8.79239106e-03 -1.42545863e-03 9.97022680e-03] [ 8.79239105e-03 1.42545863e-03 9.97022680e-03] [ 8.79239105e-03 -1.42545863e-03 -9.97022680e-03] [-8.79239106e-03 1.42545863e-03 -9.97022680e-03] [-8.79239106e-03 -1.42545863e-03 -9.97022680e-03] [ 8.79239105e-03 1.42545863e-03 -9.97022680e-03] [-8.79239106e-03 1.42545863e-03 9.97022680e-03] [ 8.79239105e-03 -1.42545863e-03 9.97022680e-03] [ 3.89779875e-12 -2.19280150e-12 8.27196645e-12] [-3.70146145e-12 -2.20947909e-12 -5.03056359e-12] [-1.58528746e-12 2.11243708e-02 -1.07546480e-02] [-6.12343509e-13 -2.11243708e-02 -1.07546480e-02] [-3.51926821e-13 2.11243708e-02 1.07546480e-02] [-1.80646817e-12 -2.11243708e-02 1.07546480e-02] [ 3.03607552e-02 -3.98681088e-12 -2.98352609e-02] [ 3.03607552e-02 -3.18228603e-12 2.98352609e-02] [-3.03607552e-02 -3.56798618e-12 -2.98352609e-02] [-3.03607552e-02 -2.69945004e-12 2.98352609e-02] [ 2.08190398e-02 -8.31468475e-03 6.17939033e-12] [-2.08190398e-02 -8.31468476e-03 2.94001976e-12] [ 2.08190398e-02 8.31468476e-03 4.85977925e-12] [-2.08190398e-02 8.31468476e-03 2.98465593e-12] [-4.36372943e-12 2.11243708e-02 -1.07546480e-02] [-3.24082514e-12 -2.11243708e-02 -1.07546480e-02] [ 7.79560878e-13 2.11243708e-02 1.07546480e-02] [-8.19898836e-13 -2.11243708e-02 1.07546480e-02] [ 3.03607552e-02 -5.96558640e-12 -2.98352609e-02] [ 3.03607552e-02 -5.53302239e-12 2.98352609e-02] [-3.03607552e-02 -6.38921121e-12 -2.98352609e-02] [-3.03607552e-02 -5.31839937e-12 2.98352609e-02] [ 2.08190398e-02 -8.31468477e-03 3.02529084e-12] [-2.08190398e-02 -8.31468477e-03 -3.73970251e-12] [ 2.08190398e-02 8.31468477e-03 -3.34711757e-13] [-2.08190399e-02 8.31468477e-03 -4.23882804e-12]] Final stress: [ 5.06121939e-04 -6.78916984e-05 -7.12227236e-04 2.42729465e-16 -2.72488762e-15 -2.18789025e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.75860798e-04 1.25138615e-13 -8.78203760e-15] [ 5.75860797e-04 -3.87467836e-14 -1.91791028e-14] [-4.72508317e-14 1.83503517e-04 9.90930428e-14] [-1.90403249e-14 -1.83503517e-04 -3.23074900e-14] [ 6.10666032e-15 2.11740347e-14 -5.75860798e-04] [-1.01418873e-13 7.13595849e-14 5.75860797e-04] [-5.75860797e-04 -1.52404131e-14 -9.89168406e-14] [ 5.75860798e-04 -3.59321947e-14 -2.53078296e-14] [-5.97915814e-15 1.83503517e-04 -2.35820409e-14] [-5.93114967e-14 -1.83503517e-04 -5.65389769e-14] [-1.57204978e-14 6.65622522e-14 -5.75860797e-04] [ 3.79253920e-14 9.64118930e-14 5.75860797e-04] [-6.07017211e-05 -3.71940488e-04 -6.07017211e-05] [ 6.07017210e-05 3.71940488e-04 -6.07017212e-05] [ 6.07017213e-05 -3.71940488e-04 6.07017212e-05] [-6.07017212e-05 3.71940488e-04 6.07017211e-05] [-6.07017211e-05 -3.71940488e-04 6.07017211e-05] [ 6.07017212e-05 3.71940488e-04 6.07017214e-05] [-6.07017211e-05 3.71940488e-04 -6.07017211e-05] [ 6.07017212e-05 -3.71940488e-04 -6.07017211e-05] [-6.07017211e-05 -3.71940488e-04 -6.07017214e-05] [ 6.07017211e-05 3.71940488e-04 -6.07017210e-05] [ 6.07017210e-05 -3.71940488e-04 6.07017210e-05] [-6.07017210e-05 3.71940488e-04 6.07017211e-05] [-6.07017210e-05 -3.71940488e-04 6.07017212e-05] [ 6.07017210e-05 3.71940488e-04 6.07017210e-05] [-6.07017212e-05 3.71940488e-04 -6.07017212e-05] [ 6.07017211e-05 -3.71940488e-04 -6.07017210e-05] [ 3.26239036e-13 1.35336187e-13 3.57880392e-13] [-3.61945716e-13 -2.64655787e-14 -1.49770763e-13] [-3.48832074e-13 -1.29543690e-04 -1.66813397e-04] [-1.45911061e-13 1.29543689e-04 -1.66813397e-04] [-5.12680176e-14 -1.29543690e-04 1.66813397e-04] [-3.68299141e-14 1.29543690e-04 1.66813397e-04] [ 8.23251094e-05 -5.16586773e-13 8.23251093e-05] [ 8.23251086e-05 -2.55824875e-13 -8.23251098e-05] [-8.23251094e-05 -3.10553666e-13 8.23251091e-05] [-8.23251090e-05 -1.01656530e-13 -8.23251093e-05] [-1.66813398e-04 -1.29543690e-04 8.68194405e-14] [ 1.66813397e-04 -1.29543690e-04 1.38916656e-14] [-1.66813398e-04 1.29543689e-04 -9.39248679e-14] [ 1.66813398e-04 1.29543690e-04 -2.63374392e-13] [ 1.14652211e-14 -1.29543690e-04 -1.66813397e-04] [ 5.47352094e-13 1.29543690e-04 -1.66813397e-04] [-8.20034145e-14 -1.29543689e-04 1.66813398e-04] [ 4.17666336e-13 1.29543690e-04 1.66813397e-04] [ 8.23251092e-05 1.60013490e-14 8.23251094e-05] [ 8.23251096e-05 1.28364550e-13 -8.23251091e-05] [-8.23251090e-05 -2.31167949e-13 8.23251096e-05] [-8.23251092e-05 1.36835855e-13 -8.23251096e-05] [-1.66813398e-04 -1.29543690e-04 1.47158763e-13] [ 1.66813398e-04 -1.29543689e-04 3.69845278e-13] [-1.66813397e-04 1.29543690e-04 1.25993135e-14] [ 1.66813397e-04 1.29543690e-04 4.19716779e-13]] Final stress: [-1.56164997e-05 -5.68177130e-05 -1.56164997e-05 7.14977517e-17 4.15684603e-17 1.24705381e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.30741114e-04 5.41233725e-15 2.38216565e-14] [-5.30741114e-04 -6.27276009e-15 -2.49800181e-16] [ 6.32393443e-15 1.15009310e-04 -2.28613995e-04] [ 1.80688797e-14 -1.15009310e-04 2.28613995e-04] [-2.14151613e-15 -2.28613995e-04 1.15009310e-04] [ 3.31124017e-14 2.28613995e-04 -1.15009310e-04] [ 5.30741114e-04 6.95147065e-15 -6.03219934e-15] [-5.30741114e-04 -1.27471818e-14 2.53515012e-14] [-1.07643928e-14 1.15009310e-04 -2.28613995e-04] [ 1.59273636e-14 -1.15009310e-04 2.28613995e-04] [-1.93946421e-14 -2.28613995e-04 1.15009310e-04] [-2.46851151e-14 2.28613995e-04 -1.15009310e-04] [ 1.26263490e-04 2.32804438e-04 2.32804438e-04] [ 3.53634910e-04 -7.82868849e-05 7.82868849e-05] [ 3.53634910e-04 7.82868849e-05 -7.82868850e-05] [ 1.26263490e-04 -2.32804438e-04 -2.32804438e-04] [-3.53634910e-04 7.82868850e-05 -7.82868850e-05] [-1.26263490e-04 -2.32804438e-04 -2.32804438e-04] [-3.53634910e-04 -7.82868849e-05 7.82868849e-05] [-1.26263490e-04 2.32804438e-04 2.32804438e-04] [ 1.26263490e-04 2.32804438e-04 2.32804438e-04] [ 3.53634910e-04 -7.82868850e-05 7.82868849e-05] [ 3.53634910e-04 7.82868850e-05 -7.82868850e-05] [ 1.26263490e-04 -2.32804438e-04 -2.32804438e-04] [-3.53634910e-04 7.82868849e-05 -7.82868850e-05] [-1.26263490e-04 -2.32804438e-04 -2.32804438e-04] [-3.53634910e-04 -7.82868849e-05 7.82868849e-05] [-1.26263490e-04 2.32804438e-04 2.32804438e-04] [ 5.34017275e-14 5.43731726e-14 8.84292639e-14] [-3.86006331e-14 -1.93337242e-14 3.86931963e-14] [-1.87627691e-14 6.85530988e-04 6.85530988e-04] [ 9.48338630e-14 1.59572904e-04 -1.59572903e-04] [-1.16233412e-13 -1.59572904e-04 1.59572903e-04] [ 9.91949578e-14 -6.85530988e-04 -6.85530989e-04] [ 1.39765118e-04 1.67647670e-04 -8.22394741e-05] [ 1.39765118e-04 -1.67647670e-04 8.22394744e-05] [-1.39765118e-04 1.67647670e-04 -8.22394741e-05] [-1.39765118e-04 -1.67647670e-04 8.22394742e-05] [ 1.39765118e-04 -8.22394741e-05 1.67647671e-04] [-1.39765118e-04 -8.22394740e-05 1.67647671e-04] [ 1.39765118e-04 8.22394739e-05 -1.67647670e-04] [-1.39765118e-04 8.22394738e-05 -1.67647670e-04] [-9.65638160e-14 6.85530988e-04 6.85530988e-04] [-7.44942302e-14 1.59572903e-04 -1.59572904e-04] [-2.23289269e-14 -1.59572903e-04 1.59572904e-04] [ 1.71425374e-14 -6.85530988e-04 -6.85530988e-04] [ 1.39765118e-04 1.67647670e-04 -8.22394738e-05] [ 1.39765118e-04 -1.67647670e-04 8.22394739e-05] [-1.39765118e-04 1.67647670e-04 -8.22394739e-05] [-1.39765118e-04 -1.67647670e-04 8.22394740e-05] [ 1.39765118e-04 -8.22394744e-05 1.67647670e-04] [-1.39765118e-04 -8.22394745e-05 1.67647670e-04] [ 1.39765118e-04 8.22394743e-05 -1.67647670e-04] [-1.39765118e-04 8.22394741e-05 -1.67647670e-04]] Final stress: [-1.10937446e-05 2.48078713e-05 2.48078713e-05 2.64860415e-05 -4.48855204e-17 -5.65225071e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.99949966e-04 -2.54752816e-14 -2.69116326e-14] [-4.99949966e-04 -4.52138327e-14 -2.99760217e-14] [ 5.31610346e-14 1.66304371e-05 1.36619983e-04] [ 4.18554080e-14 -1.66304370e-05 -1.36619983e-04] [ 5.10030386e-14 1.36619983e-04 1.66304370e-05] [ 4.69069228e-14 -1.36619983e-04 -1.66304371e-05] [ 4.99949967e-04 2.10747218e-14 -4.12055366e-14] [-4.99949967e-04 5.61573357e-15 1.79279681e-14] [-3.45140583e-14 1.66304370e-05 1.36619983e-04] [-3.09964727e-14 -1.66304369e-05 -1.36619983e-04] [-5.31224370e-14 1.36619983e-04 1.66304371e-05] [-7.74506327e-14 -1.36619983e-04 -1.66304371e-05] [-3.60010661e-04 1.46521275e-04 1.46521275e-04] [-1.68910780e-04 -1.77170356e-04 1.77170356e-04] [-1.68910780e-04 1.77170356e-04 -1.77170356e-04] [-3.60010661e-04 -1.46521275e-04 -1.46521275e-04] [ 1.68910780e-04 1.77170356e-04 -1.77170356e-04] [ 3.60010661e-04 -1.46521275e-04 -1.46521275e-04] [ 1.68910780e-04 -1.77170356e-04 1.77170356e-04] [ 3.60010661e-04 1.46521275e-04 1.46521275e-04] [-3.60010661e-04 1.46521275e-04 1.46521275e-04] [-1.68910780e-04 -1.77170356e-04 1.77170356e-04] [-1.68910780e-04 1.77170356e-04 -1.77170356e-04] [-3.60010661e-04 -1.46521275e-04 -1.46521275e-04] [ 1.68910780e-04 1.77170356e-04 -1.77170356e-04] [ 3.60010661e-04 -1.46521275e-04 -1.46521275e-04] [ 1.68910780e-04 -1.77170356e-04 1.77170356e-04] [ 3.60010661e-04 1.46521275e-04 1.46521275e-04] [ 4.86277685e-14 -2.83106871e-13 5.57887070e-15] [-1.72308782e-13 2.14204142e-14 -1.48981191e-13] [ 3.27515792e-13 -1.00562900e-04 -1.00562900e-04] [ 4.10272510e-13 -6.39042318e-04 6.39042318e-04] [ 1.39926265e-13 6.39042318e-04 -6.39042318e-04] [ 9.73734982e-14 1.00562899e-04 1.00562900e-04] [ 4.51724852e-05 -2.89161317e-04 3.11172180e-05] [ 4.51724851e-05 2.89161317e-04 -3.11172180e-05] [-4.51724849e-05 -2.89161317e-04 3.11172181e-05] [-4.51724847e-05 2.89161317e-04 -3.11172184e-05] [ 4.51724854e-05 3.11172176e-05 -2.89161318e-04] [-4.51724848e-05 3.11172181e-05 -2.89161317e-04] [ 4.51724856e-05 -3.11172175e-05 2.89161317e-04] [-4.51724849e-05 -3.11172182e-05 2.89161318e-04] [-2.60668657e-13 -1.00562900e-04 -1.00562899e-04] [-2.87984480e-13 -6.39042318e-04 6.39042318e-04] [-1.70916233e-13 6.39042318e-04 -6.39042318e-04] [-8.30520548e-14 1.00562900e-04 1.00562899e-04] [ 4.51724852e-05 -2.89161318e-04 3.11172179e-05] [ 4.51724847e-05 2.89161317e-04 -3.11172184e-05] [-4.51724855e-05 -2.89161318e-04 3.11172175e-05] [-4.51724855e-05 2.89161318e-04 -3.11172174e-05] [ 4.51724847e-05 3.11172183e-05 -2.89161317e-04] [-4.51724851e-05 3.11172180e-05 -2.89161317e-04] [ 4.51724848e-05 -3.11172182e-05 2.89161317e-04] [-4.51724851e-05 -3.11172180e-05 2.89161317e-04]] Final stress: [-1.11064750e-05 2.45526940e-05 2.45526940e-05 -2.75197473e-05 -5.81849338e-17 5.48600804e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.59222742e-04 -1.08103630e-14 2.13223536e-14] [ 5.59222742e-04 -4.40758541e-14 1.50712776e-14] [-3.26223423e-14 -3.33804814e-05 -1.45613402e-04] [-1.05193632e-14 3.33804814e-05 1.45613402e-04] [ 1.13077950e-14 -1.45613402e-04 -3.33804816e-05] [ 3.13915560e-14 1.45613402e-04 3.33804814e-05] [-5.59222742e-04 1.63220132e-14 4.88569027e-14] [ 5.59222742e-04 3.98977726e-14 -3.41076913e-14] [-1.61463724e-14 -3.33804815e-05 -1.45613402e-04] [-2.40736250e-14 3.33804816e-05 1.45613402e-04] [-6.11650487e-14 -1.45613402e-04 -3.33804815e-05] [-2.48538169e-14 1.45613402e-04 3.33804815e-05] [ 4.17964915e-04 -1.62316519e-04 -1.62316519e-04] [ 2.21192231e-04 1.93408512e-04 -1.93408512e-04] [ 2.21192231e-04 -1.93408512e-04 1.93408512e-04] [ 4.17964915e-04 1.62316519e-04 1.62316519e-04] [-2.21192231e-04 -1.93408512e-04 1.93408512e-04] [-4.17964915e-04 1.62316519e-04 1.62316519e-04] [-2.21192231e-04 1.93408512e-04 -1.93408512e-04] [-4.17964915e-04 -1.62316519e-04 -1.62316519e-04] [ 4.17964915e-04 -1.62316519e-04 -1.62316519e-04] [ 2.21192231e-04 1.93408512e-04 -1.93408512e-04] [ 2.21192231e-04 -1.93408512e-04 1.93408512e-04] [ 4.17964915e-04 1.62316519e-04 1.62316519e-04] [-2.21192231e-04 -1.93408512e-04 1.93408512e-04] [-4.17964915e-04 1.62316519e-04 1.62316519e-04] [-2.21192231e-04 1.93408512e-04 -1.93408512e-04] [-4.17964915e-04 -1.62316519e-04 -1.62316519e-04] [ 3.30013794e-14 -8.82904860e-14 2.27706742e-13] [-1.24150256e-13 -1.08309715e-13 -7.96875032e-14] [ 1.29896094e-14 1.35709017e-04 1.35709018e-04] [-7.18002047e-15 7.11300335e-04 -7.11300335e-04] [ 5.33600941e-14 -7.11300335e-04 7.11300335e-04] [ 2.13544460e-14 -1.35709017e-04 -1.35709018e-04] [-5.47359129e-05 3.40401500e-04 -3.34517296e-05] [-5.47359132e-05 -3.40401500e-04 3.34517294e-05] [ 5.47359129e-05 3.40401500e-04 -3.34517297e-05] [ 5.47359131e-05 -3.40401500e-04 3.34517294e-05] [-5.47359140e-05 -3.34517286e-05 3.40401500e-04] [ 5.47359138e-05 -3.34517288e-05 3.40401500e-04] [-5.47359138e-05 3.34517287e-05 -3.40401500e-04] [ 5.47359137e-05 3.34517289e-05 -3.40401500e-04] [ 1.26116565e-13 1.35709018e-04 1.35709017e-04] [ 6.32961565e-14 7.11300335e-04 -7.11300336e-04] [ 2.61982276e-14 -7.11300335e-04 7.11300336e-04] [ 8.18086918e-14 -1.35709018e-04 -1.35709017e-04] [-5.47359137e-05 3.40401500e-04 -3.34517289e-05] [-5.47359136e-05 -3.40401500e-04 3.34517289e-05] [ 5.47359138e-05 3.40401499e-04 -3.34517288e-05] [ 5.47359138e-05 -3.40401500e-04 3.34517288e-05] [-5.47359132e-05 -3.34517294e-05 3.40401500e-04] [ 5.47359131e-05 -3.34517294e-05 3.40401500e-04] [-5.47359131e-05 3.34517294e-05 -3.40401500e-04] [ 5.47359131e-05 3.34517295e-05 -3.40401500e-04]] Final stress: [ 1.23793170e-05 -2.50507041e-05 -2.50507041e-05 2.74766672e-05 5.65295729e-17 -2.66021519e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.75821102e-04 -4.09715664e-14 3.09227470e-14] [ 5.75821102e-04 -6.96664948e-15 2.63955524e-14] [ 1.55851894e-14 -5.16216565e-05 1.54838036e-04] [ 1.12410081e-14 5.16216566e-05 -1.54838036e-04] [ 1.51658200e-15 1.54838036e-04 -5.16216567e-05] [ 1.33504319e-14 -1.54838036e-04 5.16216563e-05] [-5.75821102e-04 -9.64809829e-15 -4.72146756e-14] [ 5.75821102e-04 8.82410464e-15 2.24306500e-14] [-6.18645760e-15 -5.16216566e-05 1.54838036e-04] [ 3.62557206e-16 5.16216566e-05 -1.54838036e-04] [-6.00283712e-14 1.54838036e-04 -5.16216565e-05] [-5.29437605e-14 -1.54838036e-04 5.16216566e-05] [-2.24227548e-04 -2.03453903e-04 -2.03453903e-04] [-4.29782242e-04 1.56753874e-04 -1.56753874e-04] [-4.29782241e-04 -1.56753874e-04 1.56753874e-04] [-2.24227548e-04 2.03453903e-04 2.03453903e-04] [ 4.29782241e-04 -1.56753874e-04 1.56753873e-04] [ 2.24227548e-04 2.03453903e-04 2.03453903e-04] [ 4.29782242e-04 1.56753874e-04 -1.56753874e-04] [ 2.24227548e-04 -2.03453903e-04 -2.03453903e-04] [-2.24227548e-04 -2.03453903e-04 -2.03453903e-04] [-4.29782241e-04 1.56753874e-04 -1.56753874e-04] [-4.29782242e-04 -1.56753873e-04 1.56753873e-04] [-2.24227548e-04 2.03453903e-04 2.03453903e-04] [ 4.29782242e-04 -1.56753874e-04 1.56753873e-04] [ 2.24227548e-04 2.03453903e-04 2.03453903e-04] [ 4.29782242e-04 1.56753874e-04 -1.56753874e-04] [ 2.24227548e-04 -2.03453903e-04 -2.03453903e-04] [ 1.59094959e-13 -7.32469640e-14 2.86576318e-13] [-8.77219304e-14 -1.04310975e-13 -7.49483347e-14] [-2.59792188e-14 -7.31721514e-04 -7.31721515e-04] [ 1.68285524e-14 -1.48525512e-04 1.48525511e-04] [-5.24112004e-14 1.48525512e-04 -1.48525511e-04] [-6.85441287e-14 7.31721515e-04 7.31721515e-04] [-6.53775710e-05 -3.30008952e-04 -2.09066560e-05] [-6.53775712e-05 3.30008952e-04 2.09066557e-05] [ 6.53775706e-05 -3.30008952e-04 -2.09066562e-05] [ 6.53775711e-05 3.30008952e-04 2.09066559e-05] [-6.53775703e-05 -2.09066566e-05 -3.30008952e-04] [ 6.53775705e-05 -2.09066564e-05 -3.30008952e-04] [-6.53775702e-05 2.09066566e-05 3.30008952e-04] [ 6.53775704e-05 2.09066565e-05 3.30008952e-04] [ 2.57996749e-15 -7.31721515e-04 -7.31721514e-04] [-9.54908895e-14 -1.48525511e-04 1.48525512e-04] [ 5.58685043e-14 1.48525511e-04 -1.48525512e-04] [ 3.92537565e-14 7.31721515e-04 7.31721515e-04] [-6.53775705e-05 -3.30008952e-04 -2.09066564e-05] [-6.53775703e-05 3.30008952e-04 2.09066565e-05] [ 6.53775705e-05 -3.30008952e-04 -2.09066565e-05] [ 6.53775700e-05 3.30008952e-04 2.09066567e-05] [-6.53775708e-05 -2.09066560e-05 -3.30008952e-04] [ 6.53775711e-05 -2.09066558e-05 -3.30008952e-04] [-6.53775709e-05 2.09066560e-05 3.30008952e-04] [ 6.53775712e-05 2.09066556e-05 3.30008952e-04]] Final stress: [ 1.27385244e-05 -2.51620428e-05 -2.51620428e-05 -2.73654537e-05 -1.16384415e-16 -3.82405934e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.02069330e-04 2.30193468e-14 -1.54864403e-04] [-6.02069330e-04 5.41511280e-14 1.54864403e-04] [ 2.64211396e-14 6.75514420e-05 4.06016366e-14] [ 3.08086889e-15 -6.75514419e-05 4.02455846e-15] [-1.53427062e-04 -1.28556020e-14 6.89290794e-05] [ 1.53427062e-04 2.84494650e-14 -6.89290794e-05] [ 6.02069330e-04 -5.55241617e-15 -1.54864403e-04] [-6.02069330e-04 5.15889415e-14 1.54864403e-04] [-1.29948136e-14 6.75514420e-05 -2.20205993e-14] [-2.44179676e-14 -6.75514420e-05 -3.28519499e-14] [-1.53427062e-04 1.24580582e-14 6.89290793e-05] [ 1.53427062e-04 -6.84373160e-15 -6.89290794e-05] [-8.08508522e-05 5.33771182e-04 2.11924534e-04] [ 1.35700257e-04 1.65804516e-04 1.57230226e-04] [ 8.08508522e-05 5.33771182e-04 -2.11924534e-04] [-1.35700257e-04 1.65804516e-04 -1.57230226e-04] [-1.35700257e-04 -1.65804516e-04 -1.57230226e-04] [ 8.08508522e-05 -5.33771182e-04 -2.11924534e-04] [-8.08508522e-05 -5.33771182e-04 2.11924534e-04] [ 1.35700257e-04 -1.65804516e-04 1.57230226e-04] [-8.08508523e-05 5.33771182e-04 2.11924534e-04] [ 1.35700257e-04 1.65804516e-04 1.57230226e-04] [ 8.08508522e-05 5.33771182e-04 -2.11924534e-04] [-1.35700257e-04 1.65804516e-04 -1.57230226e-04] [-1.35700257e-04 -1.65804516e-04 -1.57230226e-04] [ 8.08508522e-05 -5.33771182e-04 -2.11924534e-04] [-8.08508522e-05 -5.33771182e-04 2.11924534e-04] [ 1.35700257e-04 -1.65804516e-04 1.57230226e-04] [ 5.35960165e-14 -2.44249065e-15 1.75914838e-13] [ 8.43942971e-14 1.15763204e-14 1.41047166e-13] [ 3.33636587e-04 3.01388684e-04 3.01445247e-04] [ 3.33636587e-04 -3.01388684e-04 3.01445247e-04] [-3.33636587e-04 3.01388684e-04 -3.01445247e-04] [-3.33636587e-04 -3.01388684e-04 -3.01445247e-04] [ 5.26729359e-04 1.44328993e-15 4.92299743e-04] [-4.04160569e-04 4.70526396e-14 4.39972465e-04] [ 4.04160569e-04 -8.98586761e-15 -4.39972465e-04] [-5.26729359e-04 2.39409187e-14 -4.92299742e-04] [ 6.11993366e-05 2.60241767e-05 3.34199812e-04] [-6.11993365e-05 2.60241767e-05 -3.34199812e-04] [ 6.11993370e-05 -2.60241763e-05 3.34199812e-04] [-6.11993369e-05 -2.60241764e-05 -3.34199812e-04] [ 3.33636587e-04 3.01388684e-04 3.01445248e-04] [ 3.33636587e-04 -3.01388684e-04 3.01445248e-04] [-3.33636587e-04 3.01388684e-04 -3.01445248e-04] [-3.33636587e-04 -3.01388684e-04 -3.01445248e-04] [ 5.26729360e-04 -1.81137546e-13 4.92299742e-04] [-4.04160569e-04 -1.11758042e-13 4.39972465e-04] [ 4.04160568e-04 -2.16939314e-13 -4.39972466e-04] [-5.26729360e-04 -6.33755201e-14 -4.92299742e-04] [ 6.11993361e-05 2.60241770e-05 3.34199812e-04] [-6.11993359e-05 2.60241773e-05 -3.34199812e-04] [ 6.11993362e-05 -2.60241770e-05 3.34199812e-04] [-6.11993358e-05 -2.60241774e-05 -3.34199812e-04]] Final stress: [-1.37273458e-05 2.50277851e-05 2.50369472e-05 1.82866935e-17 2.73438632e-05 -7.81340540e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.94932552e-04 -1.67101576e-14 1.52651770e-04] [-5.94932552e-04 -6.91113833e-15 -1.52651770e-04] [-5.60489155e-15 5.88275808e-05 3.03593956e-14] [-4.08006962e-15 -5.88275807e-05 4.27713420e-14] [ 1.51231099e-04 3.38756800e-14 6.02056204e-05] [-1.51231099e-04 1.93456362e-14 -6.02056204e-05] [ 5.94932552e-04 6.92748810e-14 1.52651770e-04] [-5.94932552e-04 2.47185085e-14 -1.52651770e-04] [-4.48360966e-14 5.88275809e-05 -2.51320679e-15] [ 1.51627842e-14 -5.88275806e-05 -3.38152068e-14] [ 1.51231099e-04 -2.63365832e-14 6.02056205e-05] [-1.51231099e-04 5.47768394e-14 -6.02056204e-05] [-1.30556037e-04 -1.62313293e-04 1.59576540e-04] [ 8.19968804e-05 -5.28687167e-04 2.07989632e-04] [ 1.30556037e-04 -1.62313293e-04 -1.59576540e-04] [-8.19968805e-05 -5.28687167e-04 -2.07989632e-04] [-8.19968804e-05 5.28687167e-04 -2.07989632e-04] [ 1.30556037e-04 1.62313293e-04 -1.59576540e-04] [-1.30556037e-04 1.62313293e-04 1.59576540e-04] [ 8.19968804e-05 5.28687167e-04 2.07989632e-04] [-1.30556037e-04 -1.62313293e-04 1.59576540e-04] [ 8.19968804e-05 -5.28687167e-04 2.07989632e-04] [ 1.30556037e-04 -1.62313293e-04 -1.59576540e-04] [-8.19968804e-05 -5.28687167e-04 -2.07989632e-04] [-8.19968804e-05 5.28687167e-04 -2.07989632e-04] [ 1.30556037e-04 1.62313293e-04 -1.59576540e-04] [-1.30556037e-04 1.62313293e-04 1.59576540e-04] [ 8.19968805e-05 5.28687167e-04 2.07989632e-04] [-6.45039577e-14 2.48134846e-14 1.98646655e-13] [-6.81655253e-14 -2.12604798e-13 -1.00012815e-13] [-3.38657651e-04 2.99969699e-04 3.00023262e-04] [-3.38657651e-04 -2.99969699e-04 3.00023262e-04] [ 3.38657651e-04 2.99969699e-04 -3.00023262e-04] [ 3.38657651e-04 -2.99969699e-04 -3.00023262e-04] [-3.99658000e-04 -1.93178806e-13 -4.28757730e-04] [ 5.16977816e-04 3.83547361e-15 -4.89299089e-04] [-5.16977817e-04 -1.27321764e-13 4.89299089e-04] [ 3.99658000e-04 2.87825319e-14 4.28757731e-04] [ 5.85769247e-05 3.01362469e-05 -3.39238137e-04] [-5.85769246e-05 3.01362470e-05 3.39238137e-04] [ 5.85769246e-05 -3.01362470e-05 -3.39238137e-04] [-5.85769246e-05 -3.01362470e-05 3.39238137e-04] [-3.38657651e-04 2.99969699e-04 3.00023262e-04] [-3.38657651e-04 -2.99969699e-04 3.00023262e-04] [ 3.38657651e-04 2.99969699e-04 -3.00023262e-04] [ 3.38657651e-04 -2.99969699e-04 -3.00023262e-04] [-3.99658001e-04 -1.27393270e-13 -4.28757730e-04] [ 5.16977816e-04 -2.56222994e-14 -4.89299089e-04] [-5.16977816e-04 2.69628070e-14 4.89299090e-04] [ 3.99658000e-04 3.16751833e-14 4.28757730e-04] [ 5.85769253e-05 3.01362464e-05 -3.39238137e-04] [-5.85769250e-05 3.01362467e-05 3.39238137e-04] [ 5.85769252e-05 -3.01362464e-05 -3.39238137e-04] [-5.85769251e-05 -3.01362466e-05 3.39238137e-04]] Final stress: [-1.35921655e-05 2.49772754e-05 2.49862360e-05 -1.06395308e-16 -2.73738911e-05 -1.01408027e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.78914074e-04 1.26890685e-14 -1.61987610e-04] [ 5.78914074e-04 -4.49640325e-15 1.61987610e-04] [ 2.42483984e-14 -6.28538461e-05 -2.27682456e-14] [-9.40914013e-15 6.28538463e-05 4.32986980e-15] [-1.63344024e-04 -2.82673190e-15 -6.15690503e-05] [ 1.63344024e-04 -2.24265051e-14 6.15690501e-05] [-5.78914074e-04 3.89978848e-14 -1.61987610e-04] [ 5.78914074e-04 3.73043610e-14 1.61987610e-04] [-4.98021763e-14 -6.28538463e-05 -1.19780785e-14] [-4.30957353e-14 6.28538463e-05 -1.05747656e-14] [-1.63344024e-04 3.18266034e-15 -6.15690502e-05] [ 1.63344024e-04 -8.21626426e-15 6.15690503e-05] [ 1.34275335e-04 1.46562105e-04 -1.50787890e-04] [-7.63809944e-05 5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 1.46562105e-04 1.50787890e-04] [ 7.63809944e-05 5.07292774e-04 2.08823347e-04] [ 7.63809944e-05 -5.07292774e-04 2.08823347e-04] [-1.34275335e-04 -1.46562105e-04 1.50787890e-04] [ 1.34275335e-04 -1.46562105e-04 -1.50787890e-04] [-7.63809944e-05 -5.07292774e-04 -2.08823347e-04] [ 1.34275335e-04 1.46562105e-04 -1.50787890e-04] [-7.63809943e-05 5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 1.46562105e-04 1.50787890e-04] [ 7.63809943e-05 5.07292774e-04 2.08823347e-04] [ 7.63809944e-05 -5.07292774e-04 2.08823347e-04] [-1.34275335e-04 -1.46562105e-04 1.50787890e-04] [ 1.34275335e-04 -1.46562105e-04 -1.50787890e-04] [-7.63809943e-05 -5.07292774e-04 -2.08823347e-04] [ 5.05984143e-14 -1.66394676e-13 1.68531855e-13] [-6.91625576e-14 -7.25454405e-14 -2.13517655e-13] [ 3.19391459e-04 -2.91528221e-04 -2.91491078e-04] [ 3.19391459e-04 2.91528220e-04 -2.91491078e-04] [-3.19391459e-04 -2.91528221e-04 2.91491078e-04] [-3.19391459e-04 2.91528221e-04 2.91491078e-04] [ 3.73065454e-04 7.54951657e-15 4.33578408e-04] [-5.18282169e-04 3.33014866e-14 4.56418658e-04] [ 5.18282169e-04 -4.67681449e-14 -4.56418658e-04] [-3.73065454e-04 -6.35498598e-14 -4.33578408e-04] [-7.26825594e-05 -1.15305069e-05 3.18803580e-04] [ 7.26825594e-05 -1.15305068e-05 -3.18803580e-04] [-7.26825592e-05 1.15305069e-05 3.18803580e-04] [ 7.26825592e-05 1.15305069e-05 -3.18803580e-04] [ 3.19391460e-04 -2.91528221e-04 -2.91491078e-04] [ 3.19391459e-04 2.91528221e-04 -2.91491078e-04] [-3.19391459e-04 -2.91528221e-04 2.91491078e-04] [-3.19391459e-04 2.91528221e-04 2.91491078e-04] [ 3.73065455e-04 -1.13949895e-13 4.33578408e-04] [-5.18282169e-04 -9.38830177e-14 4.56418659e-04] [ 5.18282169e-04 -1.20545934e-14 -4.56418659e-04] [-3.73065455e-04 -4.27821840e-14 -4.33578408e-04] [-7.26825598e-05 -1.15305065e-05 3.18803580e-04] [ 7.26825599e-05 -1.15305063e-05 -3.18803580e-04] [-7.26825596e-05 1.15305066e-05 3.18803580e-04] [ 7.26825598e-05 1.15305063e-05 -3.18803580e-04]] Final stress: [ 1.27781143e-05 -2.52056544e-05 -2.51976190e-05 -1.82889795e-17 2.72946599e-05 2.82647864e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.78914075e-04 2.27881949e-14 1.61987612e-04] [ 5.78914075e-04 2.67841305e-14 -1.61987612e-04] [ 4.73085113e-14 -6.28538449e-05 3.10875457e-14] [ 5.25135491e-14 6.28538450e-05 1.49047441e-14] [ 1.63344026e-04 1.44103479e-14 -6.15690490e-05] [-1.63344026e-04 -1.50990331e-14 6.15690488e-05] [-5.78914074e-04 -3.38271078e-17 1.61987612e-04] [ 5.78914075e-04 -3.53992009e-14 -1.61987612e-04] [-5.12649818e-14 -6.28538448e-05 1.30518407e-15] [-1.75107324e-14 6.28538450e-05 -1.48052858e-14] [ 1.63344026e-04 -1.86556499e-14 -6.15690489e-05] [-1.63344026e-04 7.47427525e-14 6.15690490e-05] [ 7.63809941e-05 -5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 -1.46562104e-04 -1.50787890e-04] [-7.63809940e-05 -5.07292774e-04 2.08823347e-04] [ 1.34275335e-04 -1.46562104e-04 1.50787890e-04] [ 1.34275335e-04 1.46562104e-04 1.50787890e-04] [-7.63809940e-05 5.07292774e-04 2.08823347e-04] [ 7.63809942e-05 5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 1.46562104e-04 -1.50787890e-04] [ 7.63809940e-05 -5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 -1.46562104e-04 -1.50787890e-04] [-7.63809942e-05 -5.07292774e-04 2.08823347e-04] [ 1.34275335e-04 -1.46562104e-04 1.50787890e-04] [ 1.34275335e-04 1.46562104e-04 1.50787890e-04] [-7.63809941e-05 5.07292774e-04 2.08823347e-04] [ 7.63809940e-05 5.07292774e-04 -2.08823347e-04] [-1.34275335e-04 1.46562104e-04 -1.50787890e-04] [ 1.68004499e-13 -9.53404022e-14 2.27956543e-13] [-2.07039681e-13 -3.94381479e-14 -5.89747859e-14] [-3.19391461e-04 -2.91528222e-04 -2.91491078e-04] [-3.19391461e-04 2.91528222e-04 -2.91491078e-04] [ 3.19391460e-04 -2.91528222e-04 2.91491078e-04] [ 3.19391461e-04 2.91528222e-04 2.91491078e-04] [-5.18282171e-04 -1.27342581e-13 -4.56418658e-04] [ 3.73065453e-04 1.10342291e-13 -4.33578409e-04] [-3.73065453e-04 -2.47465243e-13 4.33578408e-04] [ 5.18282171e-04 -4.62564015e-14 4.56418658e-04] [-7.26825616e-05 -1.15305056e-05 -3.18803581e-04] [ 7.26825614e-05 -1.15305057e-05 3.18803581e-04] [-7.26825616e-05 1.15305056e-05 -3.18803582e-04] [ 7.26825613e-05 1.15305058e-05 3.18803581e-04] [-3.19391461e-04 -2.91528221e-04 -2.91491079e-04] [-3.19391461e-04 2.91528221e-04 -2.91491079e-04] [ 3.19391461e-04 -2.91528221e-04 2.91491079e-04] [ 3.19391461e-04 2.91528221e-04 2.91491079e-04] [-5.18282171e-04 -1.33101203e-13 -4.56418658e-04] [ 3.73065453e-04 -7.15144090e-14 -4.33578409e-04] [-3.73065453e-04 -7.67168447e-14 4.33578409e-04] [ 5.18282171e-04 -6.90298513e-14 4.56418658e-04] [-7.26825609e-05 -1.15305063e-05 -3.18803581e-04] [ 7.26825608e-05 -1.15305062e-05 3.18803581e-04] [-7.26825607e-05 1.15305065e-05 -3.18803581e-04] [ 7.26825610e-05 1.15305061e-05 3.18803582e-04]] Final stress: [ 1.27781143e-05 -2.52056544e-05 -2.51976190e-05 -2.16142485e-17 -2.72946598e-05 2.32768829e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.04300757e-04 -1.55556194e-04 -1.65601040e-14] [-6.04300756e-04 1.55556194e-04 2.32869279e-14] [-1.54113628e-04 7.16566412e-05 -1.00787434e-14] [ 1.54113628e-04 -7.16566411e-05 2.36477504e-14] [ 2.55698240e-15 -1.13624388e-16 7.02791036e-05] [-1.98729921e-14 -1.72639680e-14 -7.02791037e-05] [ 6.04300757e-04 -1.55556194e-04 -1.25222482e-14] [-6.04300757e-04 1.55556194e-04 -8.44607568e-15] [-1.54113628e-04 7.16566412e-05 -3.90835514e-15] [ 1.54113628e-04 -7.16566412e-05 -6.63041696e-14] [-1.22298005e-16 -2.50611185e-14 7.02791036e-05] [ 2.20739226e-14 3.98361994e-14 -7.02791036e-05] [-8.04924771e-05 2.13154834e-04 5.35360760e-04] [ 8.04924770e-05 -2.13154834e-04 5.35360760e-04] [ 1.37308634e-04 1.56496625e-04 1.66896090e-04] [-1.37308634e-04 -1.56496624e-04 1.66896090e-04] [-8.04924771e-05 2.13154834e-04 -5.35360759e-04] [ 8.04924771e-05 -2.13154834e-04 -5.35360760e-04] [-1.37308634e-04 -1.56496625e-04 -1.66896090e-04] [ 1.37308634e-04 1.56496625e-04 -1.66896090e-04] [-8.04924771e-05 2.13154834e-04 5.35360759e-04] [ 8.04924771e-05 -2.13154834e-04 5.35360760e-04] [ 1.37308634e-04 1.56496625e-04 1.66896090e-04] [-1.37308634e-04 -1.56496625e-04 1.66896090e-04] [-8.04924772e-05 2.13154834e-04 -5.35360760e-04] [ 8.04924771e-05 -2.13154834e-04 -5.35360760e-04] [-1.37308634e-04 -1.56496625e-04 -1.66896090e-04] [ 1.37308634e-04 1.56496625e-04 -1.66896090e-04] [ 1.52655666e-14 -1.14908083e-14 7.69384556e-14] [ 1.89518540e-16 -1.22431847e-14 -9.26337275e-14] [ 3.32066705e-04 3.01889892e-04 3.01832373e-04] [-3.32066705e-04 -3.01889892e-04 3.01832373e-04] [ 3.32066705e-04 3.01889892e-04 -3.01832373e-04] [-3.32066705e-04 -3.01889892e-04 -3.01832373e-04] [ 6.20193448e-05 3.32624506e-04 2.47385144e-05] [ 6.20193450e-05 3.32624507e-04 -2.47385143e-05] [-6.20193450e-05 -3.32624507e-04 2.47385143e-05] [-6.20193449e-05 -3.32624507e-04 -2.47385144e-05] [ 5.29778370e-04 4.93237947e-04 1.78967952e-13] [ 4.05568274e-04 -4.43478825e-04 6.25038216e-14] [-4.05568274e-04 4.43478825e-04 -2.80418050e-14] [-5.29778370e-04 -4.93237947e-04 1.34579847e-14] [ 3.32066705e-04 3.01889892e-04 3.01832373e-04] [-3.32066705e-04 -3.01889892e-04 3.01832373e-04] [ 3.32066705e-04 3.01889892e-04 -3.01832373e-04] [-3.32066705e-04 -3.01889892e-04 -3.01832373e-04] [ 6.20193451e-05 3.32624507e-04 2.47385142e-05] [ 6.20193451e-05 3.32624507e-04 -2.47385142e-05] [-6.20193451e-05 -3.32624507e-04 2.47385141e-05] [-6.20193451e-05 -3.32624507e-04 -2.47385142e-05] [ 5.29778370e-04 4.93237947e-04 6.10284682e-14] [ 4.05568275e-04 -4.43478825e-04 -8.86468802e-14] [-4.05568274e-04 4.43478825e-04 1.38134363e-13] [-5.29778370e-04 -4.93237947e-04 1.00914069e-13]] Final stress: [-1.37696128e-05 2.50528024e-05 2.50435768e-05 -3.32485336e-18 -4.48855204e-17 2.73344746e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.01323197e-04 1.54633084e-04 -1.27588912e-15] [-6.01323197e-04 -1.54633083e-04 4.30211422e-14] [ 1.53197488e-04 6.80170509e-05 1.51038036e-14] [-1.53197488e-04 -6.80170507e-05 2.83106871e-15] [-1.11230469e-14 -5.19935657e-14 6.66393772e-05] [-7.18314297e-14 -5.35682609e-15 -6.66393774e-05] [ 6.01323197e-04 1.54633084e-04 4.59014819e-14] [-6.01323197e-04 -1.54633083e-04 -2.40478650e-14] [ 1.53197488e-04 6.80170508e-05 -7.19754682e-14] [-1.53197488e-04 -6.80170508e-05 -1.05028035e-14] [-5.18816760e-14 -1.92342787e-14 6.66393773e-05] [-4.50191100e-14 8.40083513e-15 -6.66393773e-05] [-1.35162449e-04 1.57475528e-04 -1.65439518e-04] [ 1.35162449e-04 -1.57475528e-04 -1.65439518e-04] [ 8.09706791e-05 2.11513151e-04 -5.33239665e-04] [-8.09706790e-05 -2.11513151e-04 -5.33239665e-04] [-1.35162449e-04 1.57475528e-04 1.65439518e-04] [ 1.35162449e-04 -1.57475528e-04 1.65439519e-04] [-8.09706790e-05 -2.11513151e-04 5.33239665e-04] [ 8.09706790e-05 2.11513151e-04 5.33239665e-04] [-1.35162449e-04 1.57475528e-04 -1.65439518e-04] [ 1.35162449e-04 -1.57475528e-04 -1.65439518e-04] [ 8.09706789e-05 2.11513151e-04 -5.33239665e-04] [-8.09706789e-05 -2.11513151e-04 -5.33239665e-04] [-1.35162449e-04 1.57475528e-04 1.65439518e-04] [ 1.35162449e-04 -1.57475528e-04 1.65439518e-04] [-8.09706790e-05 -2.11513151e-04 5.33239665e-04] [ 8.09706790e-05 2.11513151e-04 5.33239665e-04] [ 7.95752353e-14 -2.14467333e-13 1.35141898e-13] [-7.12069292e-14 -8.26805213e-14 -7.39207131e-14] [-3.34161525e-04 3.01296575e-04 3.01240329e-04] [ 3.34161525e-04 -3.01296575e-04 3.01240329e-04] [-3.34161525e-04 3.01296575e-04 -3.01240329e-04] [ 3.34161525e-04 -3.01296575e-04 -3.01240329e-04] [ 6.09251535e-05 -3.34726560e-04 2.64540765e-05] [ 6.09251534e-05 -3.34726560e-04 -2.64540766e-05] [-6.09251537e-05 3.34726560e-04 2.64540762e-05] [-6.09251537e-05 3.34726560e-04 -2.64540762e-05] [-4.03689857e-04 -4.38800013e-04 2.33146835e-15] [-5.25709850e-04 4.91986032e-04 -1.21305743e-13] [ 5.25709851e-04 -4.91986032e-04 -8.63198402e-15] [ 4.03689857e-04 4.38800013e-04 -1.48631107e-14] [-3.34161525e-04 3.01296575e-04 3.01240329e-04] [ 3.34161525e-04 -3.01296575e-04 3.01240329e-04] [-3.34161525e-04 3.01296575e-04 -3.01240329e-04] [ 3.34161525e-04 -3.01296575e-04 -3.01240329e-04] [ 6.09251536e-05 -3.34726560e-04 2.64540764e-05] [ 6.09251539e-05 -3.34726560e-04 -2.64540762e-05] [-6.09251536e-05 3.34726560e-04 2.64540765e-05] [-6.09251537e-05 3.34726560e-04 -2.64540765e-05] [-4.03689857e-04 -4.38800013e-04 8.38475549e-14] [-5.25709850e-04 4.91986032e-04 2.79159437e-13] [ 5.25709851e-04 -4.91986032e-04 -2.66991731e-14] [ 4.03689857e-04 4.38800013e-04 8.63541010e-14]] Final stress: [-1.37132129e-05 2.50316455e-05 2.50225047e-05 -1.16369868e-16 9.80831741e-17 -2.73470025e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.76463719e-04 -1.60540243e-04 -2.07759157e-14] [ 5.76463719e-04 1.60540243e-04 3.04756220e-14] [-1.61890608e-04 -5.89110263e-05 -2.62645808e-14] [ 1.61890608e-04 5.89110264e-05 -4.19386748e-14] [-1.35859206e-14 6.11923706e-16 -6.01959033e-05] [ 1.07414078e-14 7.41073869e-15 6.01959032e-05] [-5.76463719e-04 -1.60540243e-04 -5.92433187e-14] [ 5.76463719e-04 1.60540243e-04 -8.00577411e-15] [-1.61890608e-04 -5.89110264e-05 2.81810397e-14] [ 1.61890608e-04 5.89110263e-05 2.54397397e-14] [ 9.98767041e-16 2.95845077e-16 -6.01959034e-05] [-3.10355040e-14 -4.51796781e-15 6.01959032e-05] [ 1.32466740e-04 -1.51617591e-04 1.45851007e-04] [-1.32466740e-04 1.51617591e-04 1.45851007e-04] [-7.69044252e-05 -2.07316636e-04 5.05906253e-04] [ 7.69044253e-05 2.07316636e-04 5.05906253e-04] [ 1.32466740e-04 -1.51617591e-04 -1.45851007e-04] [-1.32466740e-04 1.51617591e-04 -1.45851007e-04] [ 7.69044252e-05 2.07316636e-04 -5.05906253e-04] [-7.69044251e-05 -2.07316636e-04 -5.05906253e-04] [ 1.32466740e-04 -1.51617591e-04 1.45851007e-04] [-1.32466740e-04 1.51617591e-04 1.45851007e-04] [-7.69044252e-05 -2.07316636e-04 5.05906253e-04] [ 7.69044251e-05 2.07316636e-04 5.05906253e-04] [ 1.32466740e-04 -1.51617591e-04 -1.45851007e-04] [-1.32466740e-04 1.51617591e-04 -1.45851007e-04] [ 7.69044251e-05 2.07316636e-04 -5.05906253e-04] [-7.69044252e-05 -2.07316636e-04 -5.05906253e-04] [ 8.46545056e-14 -1.90403249e-14 1.17600374e-13] [-3.78568704e-14 7.79652397e-14 4.39115292e-14] [ 3.20913090e-04 -2.90916733e-04 -2.90952998e-04] [-3.20913090e-04 2.90916733e-04 -2.90952998e-04] [ 3.20913090e-04 -2.90916733e-04 2.90952999e-04] [-3.20913090e-04 2.90916733e-04 2.90952998e-04] [-7.10252567e-05 3.20318715e-04 -1.34370425e-05] [-7.10252567e-05 3.20318715e-04 1.34370424e-05] [ 7.10252565e-05 -3.20318715e-04 -1.34370428e-05] [ 7.10252567e-05 -3.20318715e-04 1.34370426e-05] [ 3.72267605e-04 4.29208090e-04 1.19126931e-13] [ 5.14170982e-04 -4.55864479e-04 7.24229704e-14] [-5.14170982e-04 4.55864479e-04 9.70439007e-14] [-3.72267605e-04 -4.29208090e-04 -3.37490452e-14] [ 3.20913090e-04 -2.90916733e-04 -2.90952998e-04] [-3.20913090e-04 2.90916733e-04 -2.90952998e-04] [ 3.20913090e-04 -2.90916733e-04 2.90952998e-04] [-3.20913090e-04 2.90916733e-04 2.90952998e-04] [-7.10252564e-05 3.20318715e-04 -1.34370428e-05] [-7.10252564e-05 3.20318715e-04 1.34370428e-05] [ 7.10252562e-05 -3.20318715e-04 -1.34370429e-05] [ 7.10252565e-05 -3.20318715e-04 1.34370428e-05] [ 3.72267605e-04 4.29208091e-04 2.16528372e-13] [ 5.14170983e-04 -4.55864479e-04 1.49579005e-14] [-5.14170982e-04 4.55864479e-04 2.69173891e-14] [-3.72267605e-04 -4.29208091e-04 -7.70980502e-14]] Final stress: [ 1.27240910e-05 -2.51812725e-05 -2.51892439e-05 8.47943593e-17 -8.14690903e-17 2.73119195e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.78914075e-04 1.61987615e-04 2.54830879e-14] [ 5.78914075e-04 -1.61987615e-04 1.35169653e-14] [ 1.63344029e-04 -6.15690462e-05 1.01741532e-15] [-1.63344029e-04 6.15690463e-05 -1.79578574e-14] [-7.96368180e-15 -3.33951616e-14 -6.28538424e-05] [ 4.57411886e-14 -4.15778523e-14 6.28538422e-05] [-5.78914075e-04 1.61987615e-04 -4.38473493e-14] [ 5.78914075e-04 -1.61987615e-04 -4.03623089e-14] [ 1.63344029e-04 -6.15690461e-05 2.09199092e-14] [-1.63344029e-04 6.15690463e-05 -4.89185118e-14] [-1.03476255e-14 2.08113425e-14 -6.28538423e-05] [-4.95857695e-14 2.63672730e-14 6.28538423e-05] [ 7.63809937e-05 -2.08823348e-04 -5.07292773e-04] [-7.63809936e-05 2.08823348e-04 -5.07292773e-04] [-1.34275335e-04 -1.50787891e-04 -1.46562102e-04] [ 1.34275335e-04 1.50787891e-04 -1.46562102e-04] [ 7.63809937e-05 -2.08823348e-04 5.07292773e-04] [-7.63809936e-05 2.08823348e-04 5.07292773e-04] [ 1.34275335e-04 1.50787891e-04 1.46562102e-04] [-1.34275335e-04 -1.50787891e-04 1.46562102e-04] [ 7.63809936e-05 -2.08823348e-04 -5.07292773e-04] [-7.63809936e-05 2.08823348e-04 -5.07292773e-04] [-1.34275335e-04 -1.50787891e-04 -1.46562102e-04] [ 1.34275335e-04 1.50787891e-04 -1.46562102e-04] [ 7.63809936e-05 -2.08823348e-04 5.07292773e-04] [-7.63809937e-05 2.08823348e-04 5.07292773e-04] [ 1.34275334e-04 1.50787891e-04 1.46562102e-04] [-1.34275335e-04 -1.50787891e-04 1.46562102e-04] [ 6.25055563e-14 -1.43662859e-13 2.52659005e-13] [-8.44897069e-14 -1.53502160e-13 -4.64717014e-14] [-3.19391463e-04 -2.91491080e-04 -2.91528222e-04] [ 3.19391463e-04 2.91491080e-04 -2.91528222e-04] [-3.19391463e-04 -2.91491080e-04 2.91528222e-04] [ 3.19391463e-04 2.91491080e-04 2.91528222e-04] [-7.26825645e-05 -3.18803584e-04 -1.15305046e-05] [-7.26825644e-05 -3.18803584e-04 1.15305047e-05] [ 7.26825644e-05 3.18803584e-04 -1.15305048e-05] [ 7.26825646e-05 3.18803584e-04 1.15305046e-05] [-5.18282175e-04 -4.56418657e-04 9.85878046e-14] [-3.73065450e-04 4.33578411e-04 5.71244441e-14] [ 3.73065450e-04 -4.33578411e-04 -8.67517863e-14] [ 5.18282175e-04 4.56418657e-04 6.65752176e-14] [-3.19391463e-04 -2.91491079e-04 -2.91528223e-04] [ 3.19391463e-04 2.91491079e-04 -2.91528223e-04] [-3.19391463e-04 -2.91491079e-04 2.91528223e-04] [ 3.19391463e-04 2.91491079e-04 2.91528223e-04] [-7.26825651e-05 -3.18803584e-04 -1.15305041e-05] [-7.26825651e-05 -3.18803584e-04 1.15305041e-05] [ 7.26825651e-05 3.18803584e-04 -1.15305040e-05] [ 7.26825652e-05 3.18803584e-04 1.15305039e-05] [-5.18282175e-04 -4.56418657e-04 5.95230156e-14] [-3.73065450e-04 4.33578410e-04 1.76297778e-14] [ 3.73065450e-04 -4.33578410e-04 1.05678588e-13] [ 5.18282175e-04 4.56418657e-04 -8.70948279e-14]] Final stress: [ 1.27781144e-05 -2.51976190e-05 -2.52056543e-05 1.59612912e-16 -5.48669384e-17 -2.72946598e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.94542737e-03 -7.54175368e-14 -7.42982065e-14] [-5.94542737e-03 3.02535774e-15 -8.31834601e-14] [-1.39211559e-16 6.51366120e-03 -4.67082970e-14] [-2.78665979e-14 -6.51366120e-03 -5.99520433e-15] [-1.39790523e-13 8.02222871e-15 5.94542737e-03] [-4.37705427e-14 -3.00037772e-14 -5.94542737e-03] [ 5.94542737e-03 6.02625588e-14 -5.66418234e-14] [-5.94542737e-03 8.17145830e-14 8.39110919e-15] [ 1.39688608e-15 6.51366120e-03 6.29488176e-15] [ 9.91030175e-14 -6.51366120e-03 1.61786038e-14] [-6.74993915e-14 -2.44851119e-14 5.94542737e-03] [-6.84200960e-14 2.19509653e-14 -5.94542737e-03] [ 1.12782299e-03 -1.42771983e-03 1.12782299e-03] [-1.12782299e-03 1.42771983e-03 1.12782299e-03] [-1.12782299e-03 -1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 -1.42771983e-03 -1.12782299e-03] [-1.12782299e-03 1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 1.42771983e-03 1.12782299e-03] [-1.12782299e-03 -1.42771983e-03 1.12782299e-03] [ 1.12782299e-03 -1.42771983e-03 1.12782299e-03] [-1.12782299e-03 1.42771983e-03 1.12782299e-03] [-1.12782299e-03 -1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 -1.42771983e-03 -1.12782299e-03] [-1.12782299e-03 1.42771983e-03 -1.12782299e-03] [ 1.12782299e-03 1.42771983e-03 1.12782299e-03] [-1.12782299e-03 -1.42771983e-03 1.12782299e-03] [ 8.43769499e-14 -6.36990460e-14 4.39315251e-13] [ 1.07665613e-14 1.49020805e-14 -2.24551286e-13] [-2.10942375e-14 -3.76929116e-03 2.89254211e-03] [ 2.04055522e-13 3.76929116e-03 2.89254211e-03] [-9.18102400e-14 -3.76929116e-03 -2.89254211e-03] [-1.50993801e-13 3.76929116e-03 -2.89254211e-03] [ 2.27553156e-03 2.15383267e-14 2.27553156e-03] [ 2.27553156e-03 2.55254151e-13 -2.27553156e-03] [-2.27553156e-03 -7.89091015e-14 2.27553156e-03] [-2.27553156e-03 5.03104503e-14 -2.27553156e-03] [ 2.89254211e-03 -3.76929116e-03 -2.08832951e-13] [-2.89254211e-03 -3.76929116e-03 6.94930224e-15] [ 2.89254211e-03 3.76929116e-03 -4.27807095e-13] [-2.89254211e-03 3.76929116e-03 -3.78792483e-13] [ 1.33006019e-13 -3.76929116e-03 2.89254211e-03] [-1.09558630e-13 3.76929116e-03 2.89254211e-03] [ 1.82191068e-13 -3.76929116e-03 -2.89254211e-03] [ 1.86207386e-13 3.76929116e-03 -2.89254211e-03] [ 2.27553156e-03 1.12434154e-13 2.27553156e-03] [ 2.27553156e-03 -8.06817720e-14 -2.27553156e-03] [-2.27553156e-03 1.90377228e-13 2.27553156e-03] [-2.27553156e-03 6.06971071e-14 -2.27553156e-03] [ 2.89254211e-03 -3.76929116e-03 7.63265364e-13] [-2.89254211e-03 -3.76929116e-03 3.30036261e-13] [ 2.89254211e-03 3.76929116e-03 6.65469016e-13] [-2.89254211e-03 3.76929116e-03 4.55722699e-13]] Final stress: [ 8.22931321e-05 -1.32719902e-04 8.22931321e-05 -6.98175570e-17 -1.34648146e-16 -2.85919519e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.86528646e-02 -2.52809926e-13 -4.02917283e-13] [ 1.86528646e-02 9.06774655e-14 2.08638662e-13] [ 3.50561594e-14 -2.53916862e-02 -3.02707078e-14] [ 3.41976447e-13 2.53916862e-02 2.25292007e-13] [ 3.20783330e-13 -1.75266052e-13 -1.86528646e-02] [ 4.97379915e-13 -7.44376782e-13 1.86528646e-02] [-1.86528646e-02 -5.93651430e-13 -2.75772351e-13] [ 1.86528646e-02 -5.81021342e-13 -1.54120675e-13] [-1.54429421e-14 -2.53916862e-02 -4.90316972e-13] [-8.74808039e-14 2.53916862e-02 -3.20009196e-14] [ 4.44764885e-13 -2.29005399e-13 -1.86528646e-02] [ 8.39250544e-14 -3.44161491e-14 1.86528646e-02] [-8.72490393e-03 8.62288331e-03 -8.72490392e-03] [ 8.72490392e-03 -8.62288331e-03 -8.72490393e-03] [ 8.72490392e-03 8.62288331e-03 8.72490392e-03] [-8.72490392e-03 -8.62288331e-03 8.72490393e-03] [-8.72490392e-03 8.62288331e-03 8.72490392e-03] [ 8.72490392e-03 -8.62288331e-03 8.72490393e-03] [-8.72490393e-03 -8.62288331e-03 -8.72490393e-03] [ 8.72490393e-03 8.62288331e-03 -8.72490392e-03] [-8.72490393e-03 8.62288331e-03 -8.72490393e-03] [ 8.72490393e-03 -8.62288331e-03 -8.72490393e-03] [ 8.72490393e-03 8.62288331e-03 8.72490393e-03] [-8.72490392e-03 -8.62288331e-03 8.72490393e-03] [-8.72490393e-03 8.62288331e-03 8.72490393e-03] [ 8.72490393e-03 -8.62288331e-03 8.72490393e-03] [-8.72490393e-03 -8.62288331e-03 -8.72490393e-03] [ 8.72490393e-03 8.62288331e-03 -8.72490393e-03] [-6.59389210e-13 1.21519461e-12 -8.99225139e-13] [ 4.20993535e-13 3.55165966e-13 -8.87007965e-15] [ 5.00155473e-13 -7.19483378e-04 7.91924517e-04] [ 1.24049382e-12 7.19483379e-04 7.91924517e-04] [-3.05436232e-13 -7.19483379e-04 -7.91924518e-04] [ 1.78974890e-13 7.19483380e-04 -7.91924517e-04] [-1.84809907e-02 1.43163259e-12 -1.84809907e-02] [-1.84809907e-02 -7.95620514e-13 1.84809907e-02] [ 1.84809907e-02 1.18244997e-12 -1.84809907e-02] [ 1.84809907e-02 -1.16970669e-13 1.84809907e-02] [ 7.91924517e-04 -7.19483379e-04 -1.19815269e-12] [-7.91924517e-04 -7.19483379e-04 -1.32666447e-13] [ 7.91924516e-04 7.19483379e-04 -9.76989323e-13] [-7.91924516e-04 7.19483378e-04 2.85993451e-13] [-1.75506311e-14 -7.19483380e-04 7.91924518e-04] [-1.87851470e-13 7.19483380e-04 7.91924519e-04] [-1.42750395e-13 -7.19483379e-04 -7.91924517e-04] [-1.01480196e-12 7.19483379e-04 -7.91924517e-04] [-1.84809907e-02 1.40860678e-12 -1.84809907e-02] [-1.84809907e-02 4.74669999e-13 1.84809907e-02] [ 1.84809907e-02 1.28305049e-12 -1.84809907e-02] [ 1.84809907e-02 1.14184053e-12 1.84809907e-02] [ 7.91924518e-04 -7.19483380e-04 -9.06568364e-13] [-7.91924520e-04 -7.19483381e-04 -7.91310146e-13] [ 7.91924517e-04 7.19483380e-04 -1.02697516e-12] [-7.91924518e-04 7.19483380e-04 -9.23425832e-13]] Final stress: [-1.36670878e-04 8.12450316e-04 -1.36670878e-04 3.02618392e-16 1.99528610e-16 -1.08410545e-15] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.40741595e-04 -1.44216800e-12 3.76244175e-13] [-7.40741585e-04 -1.58639768e-12 1.32877043e-12] [ 5.98389437e-12 7.82933316e-02 5.87327929e-13] [ 7.04783454e-12 -7.82933316e-02 1.70632952e-12] [ 5.17747217e-12 -1.22668802e-12 -6.92159958e-02] [ 6.07300321e-12 -5.91388050e-13 6.92159958e-02] [ 7.40741589e-04 -2.03077832e-12 -5.16579077e-13] [-7.40741586e-04 -1.60021302e-12 -9.56861128e-13] [-2.31800907e-12 7.82933316e-02 7.48219478e-13] [-3.56182531e-13 -7.82933316e-02 -2.57434208e-13] [-1.32934462e-12 -1.52872250e-12 -6.92159959e-02] [-2.00175900e-12 -2.46114175e-12 6.92159959e-02] [-1.42545862e-03 9.97022677e-03 -8.79239103e-03] [ 1.42545862e-03 -9.97022676e-03 -8.79239103e-03] [ 1.42545862e-03 9.97022677e-03 8.79239103e-03] [-1.42545862e-03 -9.97022676e-03 8.79239103e-03] [-1.42545862e-03 9.97022677e-03 8.79239103e-03] [ 1.42545862e-03 -9.97022676e-03 8.79239103e-03] [-1.42545862e-03 -9.97022677e-03 -8.79239103e-03] [ 1.42545862e-03 9.97022677e-03 -8.79239103e-03] [-1.42545863e-03 9.97022677e-03 -8.79239103e-03] [ 1.42545862e-03 -9.97022677e-03 -8.79239103e-03] [ 1.42545861e-03 9.97022677e-03 8.79239103e-03] [-1.42545863e-03 -9.97022676e-03 8.79239103e-03] [-1.42545863e-03 9.97022677e-03 8.79239103e-03] [ 1.42545862e-03 -9.97022677e-03 8.79239102e-03] [-1.42545863e-03 -9.97022677e-03 -8.79239103e-03] [ 1.42545862e-03 9.97022677e-03 -8.79239103e-03] [ 1.41885392e-11 -5.81493187e-12 7.22708005e-12] [-9.06415004e-12 -6.72648220e-12 -4.95595617e-13] [-3.83693077e-13 -2.98352608e-02 3.03607551e-02] [-3.03704978e-13 2.98352608e-02 3.03607551e-02] [ 5.83626897e-13 -2.98352608e-02 -3.03607551e-02] [-9.68945410e-13 2.98352608e-02 -3.03607551e-02] [-8.31468474e-03 -8.57391935e-12 2.08190398e-02] [-8.31468476e-03 -1.12881943e-11 -2.08190398e-02] [ 8.31468474e-03 -7.20100715e-12 2.08190398e-02] [ 8.31468476e-03 -8.86681353e-12 -2.08190398e-02] [ 2.11243707e-02 -1.07546480e-02 -2.18181029e-12] [-2.11243707e-02 -1.07546480e-02 -1.56806686e-12] [ 2.11243707e-02 1.07546480e-02 3.18091907e-12] [-2.11243707e-02 1.07546480e-02 2.12777365e-12] [-3.27959014e-12 -2.98352608e-02 3.03607551e-02] [ 4.93525359e-13 2.98352608e-02 3.03607551e-02] [-3.60163028e-12 -2.98352608e-02 -3.03607551e-02] [-1.19697047e-12 2.98352608e-02 -3.03607551e-02] [-8.31468474e-03 -1.16144417e-12 2.08190398e-02] [-8.31468474e-03 -6.21091611e-13 -2.08190398e-02] [ 8.31468474e-03 -5.38818296e-12 2.08190398e-02] [ 8.31468475e-03 -9.75422000e-13 -2.08190398e-02] [ 2.11243707e-02 -1.07546480e-02 3.49289689e-12] [-2.11243707e-02 -1.07546480e-02 1.75905990e-12] [ 2.11243707e-02 1.07546480e-02 1.02545138e-12] [-2.11243707e-02 1.07546480e-02 -2.88543061e-13]] Final stress: [-6.78916980e-05 -7.12227234e-04 5.06121938e-04 3.64094197e-16 -5.10396889e-16 -5.53622684e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.40741595e-04 -3.77292642e-12 1.09974313e-12] [-7.40741590e-04 -3.52712304e-12 -1.36693434e-12] [ 3.24399015e-12 -6.92159959e-02 1.01303948e-12] [ 4.71742090e-12 6.92159959e-02 3.04645198e-13] [ 5.84873166e-12 1.13306413e-12 7.82933317e-02] [ 6.82928714e-12 -1.18738352e-12 -7.82933317e-02] [ 7.40741592e-04 -1.02294041e-12 -3.26620378e-12] [-7.40741586e-04 7.45988341e-13 -9.24633381e-13] [-2.29634671e-12 -6.92159959e-02 -1.53626137e-12] [-2.39504337e-12 6.92159959e-02 -2.45403983e-12] [ 2.00241690e-12 -1.83334549e-12 7.82933317e-02] [ 1.72302277e-13 -7.29684188e-13 -7.82933317e-02] [-1.42545862e-03 -8.79239104e-03 9.97022678e-03] [ 1.42545863e-03 8.79239105e-03 9.97022678e-03] [ 1.42545862e-03 -8.79239105e-03 -9.97022677e-03] [-1.42545862e-03 8.79239104e-03 -9.97022679e-03] [-1.42545862e-03 -8.79239104e-03 -9.97022678e-03] [ 1.42545862e-03 8.79239104e-03 -9.97022678e-03] [-1.42545862e-03 8.79239104e-03 9.97022678e-03] [ 1.42545862e-03 -8.79239104e-03 9.97022678e-03] [-1.42545863e-03 -8.79239104e-03 9.97022678e-03] [ 1.42545862e-03 8.79239104e-03 9.97022678e-03] [ 1.42545862e-03 -8.79239104e-03 -9.97022678e-03] [-1.42545863e-03 8.79239104e-03 -9.97022678e-03] [-1.42545863e-03 -8.79239104e-03 -9.97022678e-03] [ 1.42545862e-03 8.79239104e-03 -9.97022678e-03] [-1.42545864e-03 8.79239104e-03 9.97022678e-03] [ 1.42545862e-03 -8.79239104e-03 9.97022678e-03] [ 1.45617685e-11 -5.04102315e-12 4.54838944e-12] [-1.07657845e-11 6.16473240e-12 -3.82064801e-12] [-3.72657460e-12 3.03607551e-02 -2.98352608e-02] [-5.38261449e-12 -3.03607551e-02 -2.98352608e-02] [-5.47360768e-13 3.03607552e-02 2.98352608e-02] [-2.85158355e-12 -3.03607551e-02 2.98352608e-02] [ 2.11243707e-02 -1.34781075e-13 -1.07546480e-02] [ 2.11243707e-02 -2.23949678e-12 1.07546480e-02] [-2.11243707e-02 4.10031210e-12 -1.07546480e-02] [-2.11243707e-02 4.20510848e-13 1.07546480e-02] [-8.31468477e-03 2.08190398e-02 1.02393649e-11] [ 8.31468476e-03 2.08190398e-02 4.22103325e-13] [-8.31468476e-03 -2.08190398e-02 4.03279146e-12] [ 8.31468475e-03 -2.08190398e-02 1.74301892e-12] [-7.70384624e-13 3.03607551e-02 -2.98352608e-02] [ 1.02296080e-12 -3.03607551e-02 -2.98352608e-02] [ 1.63960512e-12 3.03607551e-02 2.98352608e-02] [ 4.38799257e-12 -3.03607551e-02 2.98352608e-02] [ 2.11243707e-02 -8.65899716e-12 -1.07546480e-02] [ 2.11243707e-02 -6.04719768e-12 1.07546480e-02] [-2.11243707e-02 -8.18118013e-12 -1.07546480e-02] [-2.11243707e-02 -7.62103141e-12 1.07546480e-02] [-8.31468475e-03 2.08190398e-02 -2.83351188e-13] [ 8.31468476e-03 2.08190398e-02 -3.02638328e-12] [-8.31468476e-03 -2.08190398e-02 -2.27662310e-12] [ 8.31468475e-03 -2.08190398e-02 -6.73759009e-12]] Final stress: [-6.78916982e-05 5.06121938e-04 -7.12227235e-04 -1.64590528e-16 2.46054526e-15 -3.48133904e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.87382915e-04 1.42615954e-13 -5.06031848e-14] [ 5.87382914e-04 8.74300632e-14 1.20237154e-13] [-2.77814230e-13 -1.85087751e-03 8.89132518e-15] [-3.77753384e-14 1.85087751e-03 -1.59233737e-13] [ 7.31749730e-14 5.87568189e-14 -1.85087751e-03] [-6.71684930e-15 9.38138456e-14 1.85087751e-03] [-5.87382915e-04 -1.79409872e-13 -5.52706086e-15] [ 5.87382915e-04 2.34161648e-14 -9.00972587e-14] [ 1.64127826e-13 -1.85087751e-03 -9.21660795e-14] [-1.18872360e-13 1.85087751e-03 2.50439281e-14] [-4.14516511e-14 -3.04587085e-14 -1.85087751e-03] [-2.10495683e-14 -8.19264768e-14 1.85087751e-03] [-7.13832494e-04 -7.43979046e-05 -7.43979049e-05] [ 7.13832494e-04 7.43979050e-05 -7.43979049e-05] [ 7.13832494e-04 -7.43979050e-05 7.43979047e-05] [-7.13832494e-04 7.43979047e-05 7.43979049e-05] [-7.13832494e-04 -7.43979046e-05 7.43979049e-05] [ 7.13832494e-04 7.43979051e-05 7.43979049e-05] [-7.13832494e-04 7.43979045e-05 -7.43979047e-05] [ 7.13832494e-04 -7.43979047e-05 -7.43979050e-05] [-7.13832494e-04 -7.43979052e-05 -7.43979052e-05] [ 7.13832494e-04 7.43979048e-05 -7.43979049e-05] [ 7.13832494e-04 -7.43979046e-05 7.43979045e-05] [-7.13832494e-04 7.43979050e-05 7.43979049e-05] [-7.13832495e-04 -7.43979048e-05 7.43979048e-05] [ 7.13832494e-04 7.43979046e-05 7.43979048e-05] [-7.13832494e-04 7.43979051e-05 -7.43979049e-05] [ 7.13832494e-04 -7.43979048e-05 -7.43979047e-05] [ 9.34780031e-13 -1.45411461e-13 4.77007323e-13] [-3.13839666e-13 3.13713701e-13 -1.51880424e-13] [-2.63455924e-13 2.33563214e-04 2.33563214e-04] [ 6.45317133e-16 -2.33563214e-04 2.33563214e-04] [ 3.02709247e-15 2.33563214e-04 -2.33563214e-04] [-1.50799512e-14 -2.33563212e-04 -2.33563216e-04] [-1.90209308e-04 2.08388862e-13 -2.87949803e-04] [-1.90209309e-04 4.28823643e-15 2.87949802e-04] [ 1.90209307e-04 1.52199434e-13 -2.87949803e-04] [ 1.90209309e-04 2.77259118e-13 2.87949802e-04] [-1.90209309e-04 -2.87949802e-04 -4.88498131e-15] [ 1.90209308e-04 -2.87949803e-04 -1.43584797e-13] [-1.90209309e-04 2.87949802e-04 -4.81125556e-14] [ 1.90209308e-04 2.87949803e-04 -2.66018110e-13] [ 6.62894219e-13 2.33563213e-04 2.33563214e-04] [ 5.24131953e-13 -2.33563214e-04 2.33563214e-04] [ 5.06473335e-13 2.33563214e-04 -2.33563213e-04] [ 4.89123932e-13 -2.33563214e-04 -2.33563214e-04] [-1.90209308e-04 -5.33478123e-13 -2.87949802e-04] [-1.90209308e-04 -3.27047851e-13 2.87949802e-04] [ 1.90209309e-04 -5.70463815e-13 -2.87949802e-04] [ 1.90209309e-04 -3.52283307e-14 2.87949802e-04] [-1.90209308e-04 -2.87949803e-04 8.63977423e-13] [ 1.90209307e-04 -2.87949803e-04 1.02037814e-12] [-1.90209308e-04 2.87949803e-04 6.95473457e-13] [ 1.90209309e-04 2.87949802e-04 4.55628157e-13]] Final stress: [-7.15313972e-05 -3.00409718e-06 -3.00409718e-06 2.90979222e-16 -2.51073500e-16 -1.84563964e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.61995308e-05 2.20136409e-15 3.11508631e-14] [-4.61995310e-05 1.91513472e-15 1.88737914e-14] [-2.60763633e-14 5.84601853e-04 -1.49448724e-04] [-2.41751064e-14 -5.84601853e-04 1.49448724e-04] [ 1.25108257e-14 -1.48052068e-04 4.75783770e-05] [ 2.95874436e-14 1.48052068e-04 -4.75783772e-05] [ 4.61995309e-05 -6.65483293e-15 2.92297331e-14] [-4.61995309e-05 -3.97494537e-14 3.75325283e-15] [-4.56631261e-14 5.84601853e-04 -1.49448724e-04] [-1.27857794e-14 -5.84601853e-04 1.49448724e-04] [-3.02462048e-14 -1.48052069e-04 4.75783773e-05] [-2.66280054e-14 1.48052069e-04 -4.75783771e-05] [ 5.21327739e-04 -8.36553594e-05 2.02293651e-04] [ 1.57259524e-04 1.23109205e-04 1.62973021e-04] [ 1.57259524e-04 -1.23109205e-04 -1.62973021e-04] [ 5.21327739e-04 8.36553596e-05 -2.02293651e-04] [-1.57259524e-04 -1.23109205e-04 -1.62973021e-04] [-5.21327739e-04 8.36553595e-05 -2.02293651e-04] [-1.57259524e-04 1.23109205e-04 1.62973021e-04] [-5.21327739e-04 -8.36553594e-05 2.02293651e-04] [ 5.21327739e-04 -8.36553595e-05 2.02293651e-04] [ 1.57259524e-04 1.23109205e-04 1.62973021e-04] [ 1.57259524e-04 -1.23109205e-04 -1.62973021e-04] [ 5.21327739e-04 8.36553594e-05 -2.02293651e-04] [-1.57259524e-04 -1.23109205e-04 -1.62973021e-04] [-5.21327739e-04 8.36553594e-05 -2.02293651e-04] [-1.57259524e-04 1.23109205e-04 1.62973021e-04] [-5.21327739e-04 -8.36553594e-05 2.02293651e-04] [ 1.21069821e-13 -3.79418719e-14 1.42608148e-13] [-1.76122138e-14 -5.27564372e-14 -1.51201520e-13] [ 6.92779167e-14 5.02862485e-04 4.84955593e-04] [ 7.42947370e-14 3.93139563e-04 -4.12523131e-04] [ 1.67213465e-13 -3.93139563e-04 4.12523130e-04] [ 8.94076480e-15 -5.02862484e-04 -4.84955593e-04] [ 2.97915870e-04 3.45926159e-04 2.97965244e-04] [ 2.97915870e-04 -3.45926159e-04 -2.97965243e-04] [-2.97915870e-04 3.45926159e-04 2.97965244e-04] [-2.97915870e-04 -3.45926159e-04 -2.97965244e-04] [ 3.60889656e-05 5.47815277e-05 3.46531405e-04] [-3.60889656e-05 5.47815276e-05 3.46531405e-04] [ 3.60889655e-05 -5.47815279e-05 -3.46531405e-04] [-3.60889654e-05 -5.47815279e-05 -3.46531405e-04] [-4.56188906e-15 5.02862485e-04 4.84955593e-04] [ 2.15717201e-14 3.93139563e-04 -4.12523131e-04] [-5.33657320e-14 -3.93139563e-04 4.12523131e-04] [ 1.10773803e-13 -5.02862485e-04 -4.84955593e-04] [ 2.97915870e-04 3.45926159e-04 2.97965244e-04] [ 2.97915870e-04 -3.45926159e-04 -2.97965244e-04] [-2.97915870e-04 3.45926159e-04 2.97965244e-04] [-2.97915870e-04 -3.45926159e-04 -2.97965244e-04] [ 3.60889659e-05 5.47815275e-05 3.46531404e-04] [-3.60889659e-05 5.47815275e-05 3.46531404e-04] [ 3.60889660e-05 -5.47815275e-05 -3.46531404e-04] [-3.60889663e-05 -5.47815271e-05 -3.46531404e-04]] Final stress: [ 2.49041530e-05 -1.33964956e-05 2.49128264e-05 2.74173585e-05 3.32485336e-18 4.15606670e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.37160428e-05 3.24050682e-14 6.57546934e-15] [-5.37160429e-05 2.54241073e-14 -1.60427227e-14] [ 4.61393077e-15 5.90750929e-04 1.51355280e-04] [-3.58879593e-14 -5.90750928e-04 -1.51355280e-04] [-1.99926881e-14 1.49944347e-04 5.50943769e-05] [ 4.67959005e-14 -1.49944347e-04 -5.50943771e-05] [ 5.37160428e-05 -1.13984343e-14 -8.01712598e-15] [-5.37160428e-05 2.34638697e-14 -1.93188446e-14] [ 1.53089347e-16 5.90750928e-04 1.51355280e-04] [-1.07548519e-14 -5.90750928e-04 -1.51355280e-04] [-1.72331767e-14 1.49944347e-04 5.50943769e-05] [ 3.17020715e-16 -1.49944347e-04 -5.50943770e-05] [-1.60267664e-04 -1.27541795e-04 1.60951338e-04] [-5.25708268e-04 8.26682552e-05 2.05684047e-04] [-5.25708268e-04 -8.26682553e-05 -2.05684047e-04] [-1.60267664e-04 1.27541795e-04 -1.60951338e-04] [ 5.25708268e-04 -8.26682552e-05 -2.05684046e-04] [ 1.60267664e-04 1.27541795e-04 -1.60951338e-04] [ 5.25708268e-04 8.26682552e-05 2.05684047e-04] [ 1.60267664e-04 -1.27541795e-04 1.60951338e-04] [-1.60267664e-04 -1.27541795e-04 1.60951338e-04] [-5.25708268e-04 8.26682553e-05 2.05684046e-04] [-5.25708268e-04 -8.26682553e-05 -2.05684047e-04] [-1.60267664e-04 1.27541795e-04 -1.60951338e-04] [ 5.25708268e-04 -8.26682553e-05 -2.05684047e-04] [ 1.60267664e-04 1.27541795e-04 -1.60951338e-04] [ 5.25708268e-04 8.26682553e-05 2.05684046e-04] [ 1.60267664e-04 -1.27541795e-04 1.60951338e-04] [ 3.46944695e-14 -7.81319454e-14 2.32175390e-13] [ 1.86630225e-14 -7.25867198e-15 1.86085959e-14] [ 2.45359288e-14 -3.97019609e-04 -4.22186481e-04] [ 1.64391070e-13 -5.11264218e-04 4.87540939e-04] [ 1.42569984e-13 5.11264218e-04 -4.87540939e-04] [ 1.24549676e-13 3.97019609e-04 4.22186481e-04] [ 2.99138330e-04 -3.41599721e-04 2.99190176e-04] [ 2.99138330e-04 3.41599721e-04 -2.99190176e-04] [-2.99138330e-04 -3.41599721e-04 2.99190176e-04] [-2.99138329e-04 3.41599721e-04 -2.99190176e-04] [ 3.25457144e-05 5.70405489e-05 -3.42190261e-04] [-3.25457142e-05 5.70405490e-05 -3.42190261e-04] [ 3.25457146e-05 -5.70405487e-05 3.42190261e-04] [-3.25457146e-05 -5.70405487e-05 3.42190261e-04] [ 2.42969707e-14 -3.97019610e-04 -4.22186480e-04] [-7.11457802e-14 -5.11264217e-04 4.87540940e-04] [-4.78367346e-14 5.11264217e-04 -4.87540940e-04] [-5.87767682e-15 3.97019609e-04 4.22186480e-04] [ 2.99138331e-04 -3.41599721e-04 2.99190175e-04] [ 2.99138331e-04 3.41599720e-04 -2.99190175e-04] [-2.99138331e-04 -3.41599721e-04 2.99190175e-04] [-2.99138331e-04 3.41599721e-04 -2.99190175e-04] [ 3.25457133e-05 5.70405499e-05 -3.42190261e-04] [-3.25457135e-05 5.70405497e-05 -3.42190261e-04] [ 3.25457134e-05 -5.70405498e-05 3.42190261e-04] [-3.25457135e-05 -5.70405498e-05 3.42190262e-04]] Final stress: [ 2.49476784e-05 -1.35129619e-05 2.49565220e-05 -2.73914855e-05 -0.00000000e+00 2.99236802e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.28538415e-05 -1.94336734e-14 -1.44433077e-14] [ 6.28538414e-05 -3.32789352e-14 3.70536934e-14] [ 4.19759713e-15 -5.78914077e-04 -1.61987617e-04] [ 1.18238752e-14 5.78914077e-04 1.61987617e-04] [ 1.01437955e-14 -1.63344031e-04 -6.15690456e-05] [ 2.04003481e-14 1.63344031e-04 6.15690453e-05] [-6.28538413e-05 6.95233801e-15 2.63333058e-14] [ 6.28538415e-05 1.38096999e-14 -1.17798666e-14] [-3.80212355e-14 -5.78914077e-04 -1.61987617e-04] [-1.96604885e-14 5.78914077e-04 1.61987617e-04] [-4.00985668e-14 -1.63344031e-04 -6.15690453e-05] [-1.18529318e-14 1.63344031e-04 6.15690455e-05] [ 1.46562102e-04 1.34275335e-04 -1.50787891e-04] [ 5.07292775e-04 -7.63809936e-05 -2.08823349e-04] [ 5.07292775e-04 7.63809936e-05 2.08823349e-04] [ 1.46562102e-04 -1.34275335e-04 1.50787891e-04] [-5.07292775e-04 7.63809936e-05 2.08823349e-04] [-1.46562102e-04 -1.34275335e-04 1.50787892e-04] [-5.07292775e-04 -7.63809937e-05 -2.08823349e-04] [-1.46562102e-04 1.34275335e-04 -1.50787892e-04] [ 1.46562102e-04 1.34275335e-04 -1.50787892e-04] [ 5.07292775e-04 -7.63809936e-05 -2.08823349e-04] [ 5.07292775e-04 7.63809936e-05 2.08823349e-04] [ 1.46562102e-04 -1.34275335e-04 1.50787892e-04] [-5.07292775e-04 7.63809937e-05 2.08823349e-04] [-1.46562102e-04 -1.34275335e-04 1.50787892e-04] [-5.07292775e-04 -7.63809935e-05 -2.08823349e-04] [-1.46562102e-04 1.34275335e-04 -1.50787892e-04] [ 2.28650432e-13 -5.91748872e-14 2.13856710e-13] [-1.73252038e-13 -9.69542790e-14 -8.03009357e-14] [ 3.89688282e-14 3.73065451e-04 4.33578412e-04] [-9.06844044e-14 5.18282178e-04 -4.56418659e-04] [ 7.76618353e-14 -5.18282178e-04 4.56418659e-04] [-1.39402379e-14 -3.73065451e-04 -4.33578413e-04] [-2.91528224e-04 3.19391466e-04 -2.91491081e-04] [-2.91528224e-04 -3.19391466e-04 2.91491081e-04] [ 2.91528223e-04 3.19391466e-04 -2.91491081e-04] [ 2.91528224e-04 -3.19391466e-04 2.91491081e-04] [-1.15305051e-05 -7.26825655e-05 3.18803586e-04] [ 1.15305051e-05 -7.26825655e-05 3.18803586e-04] [-1.15305052e-05 7.26825654e-05 -3.18803587e-04] [ 1.15305052e-05 7.26825654e-05 -3.18803587e-04] [ 1.62226135e-13 3.73065451e-04 4.33578412e-04] [ 5.09869924e-14 5.18282178e-04 -4.56418660e-04] [-5.22212482e-14 -5.18282177e-04 4.56418660e-04] [ 1.15894707e-13 -3.73065451e-04 -4.33578412e-04] [-2.91528224e-04 3.19391466e-04 -2.91491081e-04] [-2.91528224e-04 -3.19391466e-04 2.91491081e-04] [ 2.91528224e-04 3.19391466e-04 -2.91491081e-04] [ 2.91528224e-04 -3.19391466e-04 2.91491081e-04] [-1.15305046e-05 -7.26825660e-05 3.18803587e-04] [ 1.15305047e-05 -7.26825658e-05 3.18803587e-04] [-1.15305048e-05 7.26825658e-05 -3.18803586e-04] [ 1.15305046e-05 7.26825658e-05 -3.18803586e-04]] Final stress: [-2.52056544e-05 1.27781145e-05 -2.51976190e-05 2.72946598e-05 -6.81680144e-17 -3.15900554e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.28538444e-05 1.74773390e-14 5.17593780e-14] [ 6.28538443e-05 -6.88338275e-15 5.89805982e-14] [ 5.56655416e-14 -5.78914075e-04 1.61987613e-04] [ 4.89608354e-14 5.78914075e-04 -1.61987613e-04] [ 2.33446075e-14 1.63344027e-04 -6.15690484e-05] [ 3.83304499e-14 -1.63344027e-04 6.15690483e-05] [-6.28538443e-05 2.59488611e-14 -2.63655003e-14] [ 6.28538444e-05 3.96909068e-14 -2.60409489e-14] [-1.64395407e-14 -5.78914075e-04 1.61987613e-04] [-7.41945567e-14 5.78914075e-04 -1.61987613e-04] [-8.57213606e-15 1.63344027e-04 -6.15690483e-05] [-3.78399569e-14 -1.63344027e-04 6.15690484e-05] [-5.07292774e-04 7.63809941e-05 -2.08823347e-04] [-1.46562104e-04 -1.34275335e-04 -1.50787890e-04] [-1.46562104e-04 1.34275335e-04 1.50787890e-04] [-5.07292774e-04 -7.63809940e-05 2.08823347e-04] [ 1.46562104e-04 1.34275335e-04 1.50787890e-04] [ 5.07292774e-04 -7.63809939e-05 2.08823348e-04] [ 1.46562104e-04 -1.34275335e-04 -1.50787890e-04] [ 5.07292774e-04 7.63809940e-05 -2.08823348e-04] [-5.07292774e-04 7.63809940e-05 -2.08823348e-04] [-1.46562104e-04 -1.34275335e-04 -1.50787890e-04] [-1.46562104e-04 1.34275335e-04 1.50787890e-04] [-5.07292774e-04 -7.63809940e-05 2.08823348e-04] [ 1.46562104e-04 1.34275335e-04 1.50787890e-04] [ 5.07292774e-04 -7.63809941e-05 2.08823347e-04] [ 1.46562104e-04 -1.34275335e-04 -1.50787890e-04] [ 5.07292774e-04 7.63809940e-05 -2.08823348e-04] [ 1.89764870e-13 -1.75248704e-13 1.32061029e-13] [-1.85088056e-13 -1.34679512e-13 -7.29011417e-15] [ 3.51940699e-14 -5.18282172e-04 -4.56418658e-04] [-1.72518250e-14 -3.73065453e-04 4.33578409e-04] [ 2.45133774e-14 3.73065452e-04 -4.33578409e-04] [-8.89045781e-15 5.18282172e-04 4.56418658e-04] [-2.91528222e-04 -3.19391461e-04 -2.91491079e-04] [-2.91528222e-04 3.19391461e-04 2.91491079e-04] [ 2.91528221e-04 -3.19391461e-04 -2.91491079e-04] [ 2.91528222e-04 3.19391461e-04 2.91491079e-04] [-1.15305058e-05 -7.26825618e-05 -3.18803582e-04] [ 1.15305058e-05 -7.26825618e-05 -3.18803582e-04] [-1.15305057e-05 7.26825619e-05 3.18803582e-04] [ 1.15305057e-05 7.26825619e-05 3.18803582e-04] [ 1.07560228e-13 -5.18282172e-04 -4.56418658e-04] [ 4.05344161e-14 -3.73065452e-04 4.33578409e-04] [ 6.43395927e-14 3.73065453e-04 -4.33578409e-04] [ 1.47500935e-13 5.18282172e-04 4.56418658e-04] [-2.91528222e-04 -3.19391461e-04 -2.91491079e-04] [-2.91528222e-04 3.19391461e-04 2.91491079e-04] [ 2.91528222e-04 -3.19391461e-04 -2.91491079e-04] [ 2.91528221e-04 3.19391461e-04 2.91491079e-04] [-1.15305057e-05 -7.26825619e-05 -3.18803582e-04] [ 1.15305058e-05 -7.26825618e-05 -3.18803582e-04] [-1.15305057e-05 7.26825620e-05 3.18803582e-04] [ 1.15305057e-05 7.26825619e-05 3.18803582e-04]] Final stress: [-2.52056544e-05 1.27781143e-05 -2.51976190e-05 -2.72946598e-05 6.65053799e-18 1.11396511e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.30800090e-05 -4.09767706e-14 -1.34822148e-04] [-5.30800092e-05 6.21724894e-15 1.34822148e-04] [ 2.33389696e-14 5.12116752e-04 9.90570473e-15] [-4.66848782e-14 -5.12116752e-04 7.42184092e-14] [-1.34822148e-04 -2.93289698e-14 5.30800091e-05] [ 1.34822148e-04 -9.80882042e-14 -5.30800091e-05] [ 5.30800091e-05 2.11657948e-14 -1.34822148e-04] [-5.30800091e-05 -2.35761931e-14 1.34822148e-04] [-3.58545658e-14 5.12116752e-04 -3.50199181e-14] [ 1.47360422e-14 -5.12116752e-04 -7.23033125e-14] [-1.34822148e-04 6.50207571e-15 5.30800091e-05] [ 1.34822148e-04 5.62942269e-14 -5.30800091e-05] [ 1.85655702e-04 1.73060938e-04 1.85655702e-04] [-1.32555718e-04 3.77742275e-04 1.32555718e-04] [-1.85655702e-04 1.73060938e-04 -1.85655702e-04] [ 1.32555718e-04 3.77742275e-04 -1.32555718e-04] [ 1.32555718e-04 -3.77742275e-04 -1.32555718e-04] [-1.85655702e-04 -1.73060938e-04 -1.85655702e-04] [ 1.85655702e-04 -1.73060938e-04 1.85655702e-04] [-1.32555718e-04 -3.77742275e-04 1.32555718e-04] [ 1.85655702e-04 1.73060938e-04 1.85655702e-04] [-1.32555718e-04 3.77742275e-04 1.32555718e-04] [-1.85655702e-04 1.73060938e-04 -1.85655702e-04] [ 1.32555718e-04 3.77742275e-04 -1.32555718e-04] [ 1.32555718e-04 -3.77742275e-04 -1.32555718e-04] [-1.85655702e-04 -1.73060938e-04 -1.85655702e-04] [ 1.85655702e-04 -1.73060938e-04 1.85655702e-04] [-1.32555718e-04 -3.77742275e-04 1.32555718e-04] [ 1.75220949e-13 -1.69309011e-15 1.06858966e-13] [-1.69786060e-14 -8.79868668e-14 -1.14183621e-13] [ 2.55710689e-04 4.67816706e-05 1.57862234e-05] [ 2.55710689e-04 -4.67816710e-05 1.57862230e-05] [-2.55710689e-04 4.67816702e-05 -1.57862238e-05] [-2.55710689e-04 -4.67816705e-05 -1.57862236e-05] [ 6.49396160e-04 -9.40358902e-14 6.49396161e-04] [-1.18598187e-04 -1.32702876e-13 1.18598187e-04] [ 1.18598187e-04 -3.44575063e-13 -1.18598187e-04] [-6.49396161e-04 -1.63808203e-13 -6.49396161e-04] [ 1.57862241e-05 4.67816699e-05 2.55710688e-04] [-1.57862239e-05 4.67816700e-05 -2.55710689e-04] [ 1.57862239e-05 -4.67816701e-05 2.55710688e-04] [-1.57862241e-05 -4.67816699e-05 -2.55710688e-04] [ 2.55710689e-04 4.67816701e-05 1.57862239e-05] [ 2.55710689e-04 -4.67816701e-05 1.57862240e-05] [-2.55710688e-04 4.67816701e-05 -1.57862239e-05] [-2.55710689e-04 -4.67816699e-05 -1.57862242e-05] [ 6.49396161e-04 -1.22545432e-14 6.49396160e-04] [-1.18598187e-04 -6.18515655e-15 1.18598188e-04] [ 1.18598187e-04 9.42644400e-14 -1.18598187e-04] [-6.49396161e-04 1.18443883e-13 -6.49396160e-04] [ 1.57862234e-05 4.67816706e-05 2.55710689e-04] [-1.57862231e-05 4.67816709e-05 -2.55710689e-04] [ 1.57862238e-05 -4.67816701e-05 2.55710689e-04] [-1.57862235e-05 -4.67816705e-05 -2.55710689e-04]] Final stress: [ 2.46783056e-05 -1.09640024e-05 2.46783056e-05 -0.00000000e+00 2.75149609e-05 -3.32485336e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.38777721e-05 -2.76640690e-14 2.40536234e-04] [-9.38777723e-05 -5.99520433e-15 -2.40536234e-04] [ 3.47937824e-14 5.23923401e-04 3.87363752e-15] [ 7.68829445e-15 -5.23923401e-04 1.84852134e-14] [ 2.40536234e-04 -1.81204877e-14 9.38777721e-05] [-2.40536234e-04 -2.69506639e-14 -9.38777721e-05] [ 9.38777722e-05 3.84579521e-14 2.40536234e-04] [-9.38777720e-05 -2.21047139e-15 -2.40536234e-04] [-2.34742781e-14 5.23923400e-04 -1.93460317e-14] [ 3.13898213e-15 -5.23923400e-04 -1.28399972e-14] [ 2.40536234e-04 1.23968296e-14 9.38777722e-05] [-2.40536234e-04 2.52490468e-14 -9.38777721e-05] [ 8.30835087e-05 -3.37613840e-04 8.30835087e-05] [-2.31668494e-04 -1.18013686e-04 2.31668494e-04] [-8.30835086e-05 -3.37613841e-04 -8.30835086e-05] [ 2.31668494e-04 -1.18013686e-04 -2.31668494e-04] [ 2.31668494e-04 1.18013686e-04 -2.31668494e-04] [-8.30835086e-05 3.37613841e-04 -8.30835086e-05] [ 8.30835087e-05 3.37613841e-04 8.30835087e-05] [-2.31668494e-04 1.18013686e-04 2.31668494e-04] [ 8.30835086e-05 -3.37613841e-04 8.30835086e-05] [-2.31668494e-04 -1.18013686e-04 2.31668494e-04] [-8.30835087e-05 -3.37613840e-04 -8.30835087e-05] [ 2.31668494e-04 -1.18013686e-04 -2.31668494e-04] [ 2.31668494e-04 1.18013686e-04 -2.31668494e-04] [-8.30835087e-05 3.37613841e-04 -8.30835087e-05] [ 8.30835086e-05 3.37613841e-04 8.30835086e-05] [-2.31668494e-04 1.18013686e-04 2.31668494e-04] [ 1.77885484e-13 -1.09606768e-13 6.53366250e-14] [-1.80733900e-13 2.06172343e-14 -1.58424236e-13] [-1.83803931e-04 1.50306203e-04 -8.26240359e-05] [-1.83803931e-04 -1.50306203e-04 -8.26240360e-05] [ 1.83803931e-04 1.50306203e-04 8.26240360e-05] [ 1.83803931e-04 -1.50306203e-04 8.26240359e-05] [-1.50474490e-04 -1.28452804e-13 -1.50474491e-04] [ 6.81975776e-04 -4.73579509e-15 -6.81975776e-04] [-6.81975777e-04 -1.31370609e-14 6.81975776e-04] [ 1.50474491e-04 -3.64881736e-14 1.50474491e-04] [-8.26240363e-05 1.50306203e-04 -1.83803931e-04] [ 8.26240364e-05 1.50306203e-04 1.83803931e-04] [-8.26240363e-05 -1.50306203e-04 -1.83803931e-04] [ 8.26240362e-05 -1.50306203e-04 1.83803931e-04] [-1.83803931e-04 1.50306203e-04 -8.26240361e-05] [-1.83803931e-04 -1.50306203e-04 -8.26240362e-05] [ 1.83803931e-04 1.50306203e-04 8.26240364e-05] [ 1.83803931e-04 -1.50306203e-04 8.26240363e-05] [-1.50474491e-04 -6.89360697e-14 -1.50474491e-04] [ 6.81975776e-04 -2.90045765e-14 -6.81975776e-04] [-6.81975776e-04 -9.15066634e-15 6.81975777e-04] [ 1.50474491e-04 4.68648557e-14 1.50474491e-04] [-8.26240360e-05 1.50306203e-04 -1.83803931e-04] [ 8.26240361e-05 1.50306203e-04 1.83803931e-04] [-8.26240360e-05 -1.50306203e-04 -1.83803931e-04] [ 8.26240360e-05 -1.50306203e-04 1.83803931e-04]] Final stress: [ 2.47300922e-05 -1.12348503e-05 2.47300922e-05 -2.49364002e-17 -2.63740968e-05 1.49618401e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.23830631e-05 2.20387944e-14 -1.50165948e-04] [ 4.23830629e-05 2.08166817e-14 1.50165947e-04] [ 4.47684424e-14 -5.67414369e-04 3.18070223e-14] [ 6.21724894e-15 5.67414369e-04 -1.09912079e-14] [-1.50165947e-04 1.09374315e-15 -4.23830631e-05] [ 1.50165947e-04 -3.72202269e-14 4.23830628e-05] [-4.23830629e-05 1.73220813e-14 -1.50165948e-04] [ 4.23830630e-05 4.12864187e-15 1.50165948e-04] [-1.21942387e-14 -5.67414369e-04 -1.66989913e-14] [ 1.80831912e-14 5.67414369e-04 -4.18961352e-14] [-1.50165948e-04 -3.88665962e-15 -4.23830630e-05] [ 1.50165947e-04 2.43034309e-14 4.23830630e-05] [-1.59571188e-04 4.23796855e-04 -1.59571188e-04] [ 1.98366185e-04 2.22690355e-04 -1.98366185e-04] [ 1.59571188e-04 4.23796855e-04 1.59571188e-04] [-1.98366185e-04 2.22690355e-04 1.98366185e-04] [-1.98366185e-04 -2.22690355e-04 1.98366185e-04] [ 1.59571188e-04 -4.23796855e-04 1.59571188e-04] [-1.59571188e-04 -4.23796855e-04 -1.59571188e-04] [ 1.98366185e-04 -2.22690355e-04 -1.98366185e-04] [-1.59571188e-04 4.23796855e-04 -1.59571188e-04] [ 1.98366185e-04 2.22690355e-04 -1.98366185e-04] [ 1.59571188e-04 4.23796855e-04 1.59571188e-04] [-1.98366185e-04 2.22690355e-04 1.98366185e-04] [-1.98366185e-04 -2.22690355e-04 1.98366185e-04] [ 1.59571188e-04 -4.23796855e-04 1.59571188e-04] [-1.59571188e-04 -4.23796855e-04 -1.59571188e-04] [ 1.98366185e-04 -2.22690355e-04 -1.98366185e-04] [ 2.56322741e-13 -1.04111164e-13 8.97892871e-14] [-1.17143708e-13 -1.27198414e-13 7.80394718e-14] [ 3.35272592e-04 -5.99880369e-05 -2.72606503e-05] [ 3.35272592e-04 5.99880368e-05 -2.72606504e-05] [-3.35272592e-04 -5.99880372e-05 2.72606501e-05] [-3.35272592e-04 5.99880372e-05 2.72606500e-05] [ 1.42033981e-04 -1.48325796e-13 1.42033982e-04] [-7.21378634e-04 4.09221268e-15 7.21378633e-04] [ 7.21378634e-04 -1.85910315e-14 -7.21378634e-04] [-1.42033981e-04 8.73884298e-14 -1.42033982e-04] [-2.72606495e-05 -5.99880376e-05 3.35272591e-04] [ 2.72606493e-05 -5.99880380e-05 -3.35272592e-04] [-2.72606493e-05 5.99880377e-05 3.35272591e-04] [ 2.72606491e-05 5.99880381e-05 -3.35272592e-04] [ 3.35272592e-04 -5.99880381e-05 -2.72606492e-05] [ 3.35272592e-04 5.99880378e-05 -2.72606494e-05] [-3.35272591e-04 -5.99880376e-05 2.72606495e-05] [-3.35272591e-04 5.99880377e-05 2.72606495e-05] [ 1.42033982e-04 -5.51718836e-14 1.42033981e-04] [-7.21378633e-04 -2.59128656e-14 7.21378634e-04] [ 7.21378634e-04 -5.41008210e-14 -7.21378634e-04] [-1.42033982e-04 3.11534652e-14 -1.42033981e-04] [-2.72606500e-05 -5.99880372e-05 3.35272592e-04] [ 2.72606503e-05 -5.99880369e-05 -3.35272592e-04] [-2.72606501e-05 5.99880370e-05 3.35272592e-04] [ 2.72606502e-05 5.99880371e-05 -3.35272591e-04]] Final stress: [-2.51056510e-05 1.25566004e-05 -2.51056510e-05 4.65537659e-17 2.74217810e-05 -1.66263450e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.92282939e-05 1.46813985e-14 1.53627658e-04] [ 4.92282937e-05 4.82947016e-15 -1.53627658e-04] [ 4.01388991e-14 -5.73643206e-04 3.36432271e-14] [ 6.04793993e-14 5.73643206e-04 -1.08246745e-15] [ 1.53627658e-04 2.73800080e-14 -4.92282939e-05] [-1.53627658e-04 2.40363285e-14 4.92282936e-05] [-4.92282939e-05 -1.62491548e-14 1.53627658e-04] [ 4.92282938e-05 5.09921966e-15 -1.53627658e-04] [-1.40451886e-14 -5.73643206e-04 -1.75249528e-14] [ 3.59616850e-14 5.73643206e-04 -2.78272873e-14] [ 1.53627658e-04 3.44511075e-14 -4.92282937e-05] [-1.53627658e-04 -1.04118553e-14 4.92282938e-05] [-2.02135864e-04 -2.23829340e-04 -2.02135864e-04] [ 1.57483732e-04 -4.28231604e-04 -1.57483732e-04] [ 2.02135864e-04 -2.23829340e-04 2.02135864e-04] [-1.57483732e-04 -4.28231604e-04 1.57483732e-04] [-1.57483732e-04 4.28231604e-04 1.57483732e-04] [ 2.02135864e-04 2.23829340e-04 2.02135864e-04] [-2.02135864e-04 2.23829340e-04 -2.02135864e-04] [ 1.57483732e-04 4.28231604e-04 -1.57483732e-04] [-2.02135864e-04 -2.23829340e-04 -2.02135864e-04] [ 1.57483732e-04 -4.28231604e-04 -1.57483732e-04] [ 2.02135864e-04 -2.23829340e-04 2.02135864e-04] [-1.57483732e-04 -4.28231604e-04 1.57483732e-04] [-1.57483732e-04 4.28231604e-04 1.57483732e-04] [ 2.02135864e-04 2.23829340e-04 2.02135864e-04] [-2.02135864e-04 2.23829340e-04 -2.02135864e-04] [ 1.57483732e-04 4.28231604e-04 -1.57483732e-04] [ 2.69451128e-13 1.44051437e-14 2.76112466e-13] [-5.36445888e-14 -6.12072439e-14 -5.67884694e-14] [-3.31372583e-04 -6.39813776e-05 -2.25527895e-05] [-3.31372583e-04 6.39813776e-05 -2.25527895e-05] [ 3.31372583e-04 -6.39813777e-05 2.25527894e-05] [ 3.31372583e-04 6.39813777e-05 2.25527894e-05] [-7.29042035e-04 -1.05915277e-13 -7.29042035e-04] [ 1.46843734e-04 1.32584915e-14 -1.46843733e-04] [-1.46843734e-04 -1.23496699e-13 1.46843733e-04] [ 7.29042035e-04 7.11635612e-14 7.29042036e-04] [-2.25527901e-05 -6.39813769e-05 -3.31372583e-04] [ 2.25527900e-05 -6.39813770e-05 3.31372583e-04] [-2.25527900e-05 6.39813770e-05 -3.31372583e-04] [ 2.25527901e-05 6.39813770e-05 3.31372583e-04] [-3.31372583e-04 -6.39813770e-05 -2.25527900e-05] [-3.31372583e-04 6.39813768e-05 -2.25527902e-05] [ 3.31372583e-04 -6.39813770e-05 2.25527901e-05] [ 3.31372583e-04 6.39813773e-05 2.25527898e-05] [-7.29042036e-04 -6.39379934e-14 -7.29042035e-04] [ 1.46843733e-04 4.27340455e-14 -1.46843734e-04] [-1.46843733e-04 -5.70645961e-14 1.46843734e-04] [ 7.29042036e-04 -9.00560009e-14 7.29042035e-04] [-2.25527895e-05 -6.39813776e-05 -3.31372583e-04] [ 2.25527896e-05 -6.39813775e-05 3.31372583e-04] [-2.25527895e-05 6.39813776e-05 -3.31372583e-04] [ 2.25527895e-05 6.39813776e-05 3.31372583e-04]] Final stress: [-2.51474335e-05 1.26913956e-05 -2.51474335e-05 1.03083339e-16 -2.73800462e-05 -8.31317248e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.69229477e-05 -1.55439185e-04 4.97518693e-14] [-7.69229478e-05 1.55439185e-04 -1.30728761e-14] [-1.56891858e-04 6.08609129e-04 6.57299735e-14] [ 1.56891859e-04 -6.08609129e-04 -1.44606549e-14] [ 4.21971486e-15 -2.56496213e-14 7.55455678e-05] [ 3.93296506e-14 -1.24344979e-14 -7.55455681e-05] [ 7.69229477e-05 -1.55439185e-04 -2.93060079e-14] [-7.69229477e-05 1.55439185e-04 -6.63414470e-15] [-1.56891858e-04 6.08609129e-04 -5.71427271e-14] [ 1.56891858e-04 -6.08609129e-04 -4.23103133e-15] [-5.96397931e-14 -2.11664895e-14 7.55455680e-05] [ 3.54989475e-14 -4.47379344e-14 -7.55455679e-05] [ 2.15530243e-04 -7.98004730e-05 5.38429845e-04] [-2.15530243e-04 7.98004730e-05 5.38429845e-04] [-1.55080238e-04 -1.40413963e-04 1.69003643e-04] [ 1.55080238e-04 1.40413963e-04 1.69003643e-04] [ 2.15530242e-04 -7.98004731e-05 -5.38429845e-04] [-2.15530242e-04 7.98004731e-05 -5.38429845e-04] [ 1.55080238e-04 1.40413963e-04 -1.69003643e-04] [-1.55080238e-04 -1.40413963e-04 -1.69003643e-04] [ 2.15530242e-04 -7.98004731e-05 5.38429845e-04] [-2.15530242e-04 7.98004731e-05 5.38429844e-04] [-1.55080238e-04 -1.40413963e-04 1.69003643e-04] [ 1.55080238e-04 1.40413963e-04 1.69003643e-04] [ 2.15530242e-04 -7.98004730e-05 -5.38429845e-04] [-2.15530243e-04 7.98004730e-05 -5.38429845e-04] [ 1.55080238e-04 1.40413963e-04 -1.69003643e-04] [-1.55080238e-04 -1.40413963e-04 -1.69003643e-04] [ 1.64673830e-13 -1.38056233e-13 2.53741472e-13] [-4.64281391e-14 5.69439249e-15 -1.61990509e-13] [ 3.29583003e-04 6.36026959e-05 2.22562602e-05] [-3.29583003e-04 -6.36026960e-05 2.22562601e-05] [ 3.29583003e-04 6.36026958e-05 -2.22562602e-05] [-3.29583003e-04 -6.36026957e-05 -2.22562604e-05] [ 3.02748459e-04 3.29035709e-04 3.02689071e-04] [ 3.02748459e-04 3.29035709e-04 -3.02689071e-04] [-3.02748459e-04 -3.29035709e-04 3.02689070e-04] [-3.02748459e-04 -3.29035709e-04 -3.02689071e-04] [ 4.95049415e-04 5.35665362e-04 -1.06914477e-13] [ 4.50248644e-04 -4.08286092e-04 -4.62997696e-14] [-4.50248644e-04 4.08286092e-04 7.42895329e-14] [-4.95049415e-04 -5.35665362e-04 -3.82610610e-14] [ 3.29583003e-04 6.36026956e-05 2.22562605e-05] [-3.29583003e-04 -6.36026957e-05 2.22562603e-05] [ 3.29583003e-04 6.36026958e-05 -2.22562604e-05] [-3.29583003e-04 -6.36026960e-05 -2.22562601e-05] [ 3.02748459e-04 3.29035709e-04 3.02689071e-04] [ 3.02748459e-04 3.29035709e-04 -3.02689070e-04] [-3.02748459e-04 -3.29035709e-04 3.02689070e-04] [-3.02748459e-04 -3.29035709e-04 -3.02689070e-04] [ 4.95049415e-04 5.35665362e-04 2.64877468e-13] [ 4.50248644e-04 -4.08286092e-04 1.67713303e-13] [-4.50248644e-04 4.08286092e-04 6.91436112e-14] [-4.95049415e-04 -5.35665362e-04 2.14283018e-13]] Final stress: [ 2.50834146e-05 -1.38512222e-05 2.50740657e-05 2.49364002e-17 -4.98728004e-17 2.73163477e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.36926007e-05 1.49591440e-04 6.64611595e-14] [-5.36926008e-05 -1.49591441e-04 1.97897254e-14] [ 1.50999708e-04 5.89604104e-04 1.49654594e-14] [-1.50999708e-04 -5.89604104e-04 -5.85642645e-15] [ 5.90790437e-14 -4.30298158e-15 5.23141779e-05] [ 5.72597525e-14 -3.23630012e-14 -5.23141782e-05] [ 5.36926005e-05 1.49591441e-04 4.85465729e-15] [-5.36926007e-05 -1.49591441e-04 -8.06560070e-15] [ 1.50999708e-04 5.89604104e-04 3.75001145e-14] [-1.50999708e-04 -5.89604104e-04 -3.86906282e-14] [-4.64025519e-14 7.01984450e-15 5.23141781e-05] [-3.42967842e-14 -1.72321588e-14 -5.23141781e-05] [ 1.61328390e-04 -1.26715110e-04 -1.59706637e-04] [-1.61328390e-04 1.26715110e-04 -1.59706637e-04] [-2.05051727e-04 -8.28523689e-05 -5.24891290e-04] [ 2.05051727e-04 8.28523688e-05 -5.24891290e-04] [ 1.61328390e-04 -1.26715110e-04 1.59706637e-04] [-1.61328390e-04 1.26715110e-04 1.59706637e-04] [ 2.05051727e-04 8.28523689e-05 5.24891290e-04] [-2.05051727e-04 -8.28523688e-05 5.24891290e-04] [ 1.61328390e-04 -1.26715110e-04 -1.59706637e-04] [-1.61328390e-04 1.26715110e-04 -1.59706637e-04] [-2.05051728e-04 -8.28523688e-05 -5.24891290e-04] [ 2.05051727e-04 8.28523688e-05 -5.24891290e-04] [ 1.61328390e-04 -1.26715110e-04 1.59706637e-04] [-1.61328390e-04 1.26715110e-04 1.59706637e-04] [ 2.05051727e-04 8.28523689e-05 5.24891290e-04] [-2.05051727e-04 -8.28523688e-05 5.24891290e-04] [ 9.78384040e-14 -4.47697435e-14 1.84768867e-13] [ 1.16349205e-13 -9.36374932e-14 -4.27637412e-14] [-3.42999906e-04 5.66192146e-05 3.32065347e-05] [ 3.42999906e-04 -5.66192145e-05 3.32065348e-05] [-3.42999906e-04 5.66192146e-05 -3.32065346e-05] [ 3.42999906e-04 -5.66192143e-05 -3.32065349e-05] [ 2.98961713e-04 -3.42406615e-04 2.98910333e-04] [ 2.98961713e-04 -3.42406615e-04 -2.98910333e-04] [-2.98961713e-04 3.42406615e-04 2.98910333e-04] [-2.98961713e-04 3.42406615e-04 -2.98910333e-04] [-4.20384256e-04 -3.96295992e-04 -7.10542736e-14] [-4.87058765e-04 5.09697254e-04 -1.02175213e-15] [ 4.87058765e-04 -5.09697254e-04 1.66897746e-14] [ 4.20384256e-04 3.96295992e-04 7.52124057e-14] [-3.42999906e-04 5.66192143e-05 3.32065348e-05] [ 3.42999906e-04 -5.66192143e-05 3.32065348e-05] [-3.42999906e-04 5.66192144e-05 -3.32065348e-05] [ 3.42999906e-04 -5.66192145e-05 -3.32065346e-05] [ 2.98961713e-04 -3.42406616e-04 2.98910333e-04] [ 2.98961713e-04 -3.42406615e-04 -2.98910333e-04] [-2.98961713e-04 3.42406615e-04 2.98910333e-04] [-2.98961713e-04 3.42406615e-04 -2.98910333e-04] [-4.20384256e-04 -3.96295992e-04 1.78908890e-13] [-4.87058765e-04 5.09697254e-04 4.72684398e-14] [ 4.87058765e-04 -5.09697254e-04 4.47709191e-14] [ 4.20384256e-04 3.96295992e-04 1.22073792e-13]] Final stress: [ 2.49483727e-05 -1.34912404e-05 2.49395610e-05 1.46293548e-16 3.49109603e-17 -2.73963109e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.15690464e-05 -1.63344029e-04 3.55748417e-15] [ 6.15690461e-05 1.63344029e-04 -8.40993941e-15] [-1.61987615e-04 -5.78914075e-04 -1.75679783e-14] [ 1.61987615e-04 5.78914076e-04 8.90953977e-15] [ 6.19469753e-15 1.59772369e-14 -6.28538424e-05] [ 1.67921232e-14 2.12330153e-14 6.28538423e-05] [-6.15690462e-05 -1.63344029e-04 -5.38969241e-14] [ 6.15690463e-05 1.63344029e-04 -5.31212986e-14] [-1.61987615e-04 -5.78914075e-04 6.66989717e-16] [ 1.61987615e-04 5.78914075e-04 -1.28143875e-14] [ 3.12055069e-14 2.83561214e-14 -6.28538424e-05] [ 1.86786350e-15 3.20249828e-14 6.28538423e-05] [-1.50787891e-04 1.34275335e-04 1.46562102e-04] [ 1.50787891e-04 -1.34275335e-04 1.46562102e-04] [ 2.08823348e-04 7.63809936e-05 5.07292774e-04] [-2.08823348e-04 -7.63809937e-05 5.07292774e-04] [-1.50787891e-04 1.34275335e-04 -1.46562102e-04] [ 1.50787891e-04 -1.34275335e-04 -1.46562102e-04] [-2.08823348e-04 -7.63809938e-05 -5.07292774e-04] [ 2.08823348e-04 7.63809937e-05 -5.07292774e-04] [-1.50787891e-04 1.34275335e-04 1.46562102e-04] [ 1.50787891e-04 -1.34275335e-04 1.46562102e-04] [ 2.08823348e-04 7.63809937e-05 5.07292774e-04] [-2.08823348e-04 -7.63809937e-05 5.07292774e-04] [-1.50787891e-04 1.34275335e-04 -1.46562102e-04] [ 1.50787891e-04 -1.34275335e-04 -1.46562102e-04] [-2.08823348e-04 -7.63809936e-05 -5.07292774e-04] [ 2.08823348e-04 7.63809937e-05 -5.07292774e-04] [ 2.20268248e-13 -1.31783473e-13 1.67477143e-13] [-1.73388647e-13 -1.80115288e-14 3.43303005e-14] [ 3.18803584e-04 -7.26825645e-05 -1.15305047e-05] [-3.18803584e-04 7.26825645e-05 -1.15305047e-05] [ 3.18803584e-04 -7.26825646e-05 1.15305048e-05] [-3.18803584e-04 7.26825646e-05 1.15305047e-05] [-2.91491080e-04 3.19391463e-04 -2.91528223e-04] [-2.91491080e-04 3.19391464e-04 2.91528223e-04] [ 2.91491080e-04 -3.19391464e-04 -2.91528223e-04] [ 2.91491080e-04 -3.19391464e-04 2.91528223e-04] [ 4.33578410e-04 3.73065451e-04 9.61453139e-14] [ 4.56418658e-04 -5.18282175e-04 1.17503229e-13] [-4.56418658e-04 5.18282175e-04 1.01783165e-13] [-4.33578411e-04 -3.73065451e-04 -6.41535436e-14] [ 3.18803584e-04 -7.26825644e-05 -1.15305049e-05] [-3.18803584e-04 7.26825643e-05 -1.15305050e-05] [ 3.18803584e-04 -7.26825643e-05 1.15305050e-05] [-3.18803584e-04 7.26825645e-05 1.15305049e-05] [-2.91491080e-04 3.19391464e-04 -2.91528223e-04] [-2.91491080e-04 3.19391464e-04 2.91528223e-04] [ 2.91491080e-04 -3.19391464e-04 -2.91528223e-04] [ 2.91491080e-04 -3.19391464e-04 2.91528222e-04] [ 4.33578411e-04 3.73065451e-04 1.08635430e-13] [ 4.56418658e-04 -5.18282175e-04 8.46515681e-14] [-4.56418658e-04 5.18282175e-04 2.27979799e-14] [-4.33578411e-04 -3.73065451e-04 1.15266303e-13]] Final stress: [-2.51976190e-05 1.27781144e-05 -2.52056544e-05 -1.82889795e-17 8.47943593e-17 2.72946598e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.15690498e-05 1.63344025e-04 3.08273372e-14] [ 6.15690496e-05 -1.63344025e-04 3.99680289e-14] [ 1.61987611e-04 -5.78914074e-04 3.51879983e-14] [-1.61987611e-04 5.78914074e-04 2.43693954e-14] [ 2.98649994e-14 3.32112809e-15 -6.28538459e-05] [ 4.02733402e-14 -1.77635684e-15 6.28538456e-05] [-6.15690497e-05 1.63344025e-04 -6.35298546e-14] [ 6.15690498e-05 -1.63344025e-04 -5.65252456e-14] [ 1.61987611e-04 -5.78914074e-04 -6.75760968e-14] [-1.61987611e-04 5.78914074e-04 -4.49758169e-14] [-7.78322719e-14 1.15190292e-14 -6.28538458e-05] [-6.08233082e-14 7.89983862e-15 6.28538457e-05] [-2.08823347e-04 7.63809944e-05 -5.07292774e-04] [ 2.08823347e-04 -7.63809943e-05 -5.07292774e-04] [ 1.50787890e-04 1.34275335e-04 -1.46562105e-04] [-1.50787890e-04 -1.34275335e-04 -1.46562105e-04] [-2.08823347e-04 7.63809943e-05 5.07292774e-04] [ 2.08823347e-04 -7.63809941e-05 5.07292774e-04] [-1.50787890e-04 -1.34275335e-04 1.46562105e-04] [ 1.50787890e-04 1.34275335e-04 1.46562105e-04] [-2.08823347e-04 7.63809942e-05 -5.07292774e-04] [ 2.08823347e-04 -7.63809942e-05 -5.07292774e-04] [ 1.50787890e-04 1.34275335e-04 -1.46562105e-04] [-1.50787890e-04 -1.34275335e-04 -1.46562105e-04] [-2.08823347e-04 7.63809942e-05 5.07292774e-04] [ 2.08823347e-04 -7.63809943e-05 5.07292774e-04] [-1.50787890e-04 -1.34275335e-04 1.46562105e-04] [ 1.50787890e-04 1.34275335e-04 1.46562105e-04] [ 2.43138842e-13 -1.12243548e-13 2.65509836e-13] [-2.62205622e-13 1.46066970e-14 -8.12012317e-14] [-3.18803581e-04 -7.26825598e-05 -1.15305066e-05] [ 3.18803580e-04 7.26825598e-05 -1.15305065e-05] [-3.18803581e-04 -7.26825601e-05 1.15305065e-05] [ 3.18803580e-04 7.26825604e-05 1.15305061e-05] [-2.91491078e-04 -3.19391460e-04 -2.91528221e-04] [-2.91491078e-04 -3.19391460e-04 2.91528221e-04] [ 2.91491078e-04 3.19391460e-04 -2.91528221e-04] [ 2.91491078e-04 3.19391460e-04 2.91528221e-04] [-4.56418658e-04 -5.18282169e-04 -2.22044605e-14] [-4.33578408e-04 3.73065454e-04 -4.37826858e-14] [ 4.33578408e-04 -3.73065454e-04 -2.35835657e-14] [ 4.56418658e-04 5.18282170e-04 -1.64070146e-14] [-3.18803580e-04 -7.26825601e-05 -1.15305063e-05] [ 3.18803581e-04 7.26825601e-05 -1.15305064e-05] [-3.18803580e-04 -7.26825602e-05 1.15305063e-05] [ 3.18803581e-04 7.26825601e-05 1.15305063e-05] [-2.91491078e-04 -3.19391460e-04 -2.91528221e-04] [-2.91491078e-04 -3.19391460e-04 2.91528221e-04] [ 2.91491078e-04 3.19391460e-04 -2.91528221e-04] [ 2.91491078e-04 3.19391460e-04 2.91528221e-04] [-4.56418658e-04 -5.18282170e-04 2.69282860e-13] [-4.33578408e-04 3.73065454e-04 1.83265986e-13] [ 4.33578408e-04 -3.73065454e-04 1.06980315e-13] [ 4.56418658e-04 5.18282169e-04 2.36638834e-13]] Final stress: [-2.51976190e-05 1.27781143e-05 -2.52056544e-05 8.31317248e-18 -8.64569938e-17 -2.72946599e-05] Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.85713389e-02 -7.41036572e-13 -3.35921395e-13] [ 1.85713389e-02 -3.56464858e-13 -3.70814490e-14] [ 2.28941865e-13 -1.85713389e-02 1.09654907e-13] [ 2.17964535e-13 1.85713389e-02 -1.56485935e-13] [-8.88735700e-14 2.20780859e-13 -2.53289193e-02] [ 1.40221168e-13 -6.24666985e-13 2.53289193e-02] [-1.85713389e-02 -7.41554821e-13 3.00399355e-13] [ 1.85713389e-02 -4.22176183e-13 1.45182489e-13] [-1.07702909e-13 -1.85713389e-02 -1.97451243e-13] [-2.33372783e-13 1.85713389e-02 -4.78586030e-14] [ 3.94944927e-13 -6.76838067e-13 -2.53289193e-02] [-9.51695320e-14 -7.95289034e-13 2.53289193e-02] [-8.73450622e-03 -8.73450622e-03 8.60040982e-03] [ 8.73450622e-03 8.73450622e-03 8.60040982e-03] [ 8.73450622e-03 -8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 -8.73450622e-03 -8.60040982e-03] [ 8.73450622e-03 8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 8.73450622e-03 8.60040982e-03] [ 8.73450622e-03 -8.73450622e-03 8.60040982e-03] [-8.73450622e-03 -8.73450622e-03 8.60040983e-03] [ 8.73450622e-03 8.73450622e-03 8.60040982e-03] [ 8.73450622e-03 -8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 -8.73450622e-03 -8.60040982e-03] [ 8.73450622e-03 8.73450622e-03 -8.60040982e-03] [-8.73450622e-03 8.73450622e-03 8.60040982e-03] [ 8.73450622e-03 -8.73450622e-03 8.60040982e-03] [-1.30484512e-12 -2.23349117e-13 -2.16468510e-12] [ 1.20887154e-12 6.15393615e-13 -4.70903629e-13] [ 2.20090612e-12 6.17317657e-04 -6.02764113e-04] [ 3.07207385e-13 -6.17317656e-04 -6.02764113e-04] [ 8.53050269e-14 6.17317657e-04 6.02764112e-04] [ 9.47788723e-13 -6.17317657e-04 6.02764113e-04] [ 6.17317656e-04 1.97331040e-12 -6.02764112e-04] [ 6.17317656e-04 -8.93509225e-13 6.02764112e-04] [-6.17317655e-04 1.35786347e-12 -6.02764111e-04] [-6.17317656e-04 6.22342455e-13 6.02764111e-04] [-1.85398768e-02 -1.85398768e-02 -7.12208070e-13] [ 1.85398768e-02 -1.85398768e-02 -7.56443519e-13] [-1.85398768e-02 1.85398768e-02 -1.13507120e-12] [ 1.85398768e-02 1.85398768e-02 -1.16226473e-14] [-9.69431133e-13 6.17317655e-04 -6.02764111e-04] [ 3.41212301e-13 -6.17317655e-04 -6.02764111e-04] [-8.80219075e-13 6.17317656e-04 6.02764110e-04] [-1.12855775e-12 -6.17317656e-04 6.02764114e-04] [ 6.17317655e-04 3.27050214e-13 -6.02764112e-04] [ 6.17317656e-04 4.32924421e-13 6.02764112e-04] [-6.17317656e-04 1.95570513e-12 -6.02764112e-04] [-6.17317657e-04 -3.36236681e-13 6.02764113e-04] [-1.85398768e-02 -1.85398768e-02 -9.13063898e-13] [ 1.85398768e-02 -1.85398768e-02 -9.67000721e-13] [-1.85398768e-02 1.85398768e-02 5.16649847e-14] [ 1.85398768e-02 1.85398768e-02 -9.81371234e-13]] Final stress: [-1.35549992e-04 -1.35549992e-04 8.12889270e-04 1.41831587e-15 -1.64611103e-16 -6.06899522e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.55455686e-05 -6.72595660e-15 -2.59670757e-14] [-7.55455686e-05 4.84057239e-14 4.02455846e-15] [ 2.37557370e-14 7.69229485e-05 -1.55439182e-04] [ 2.39808173e-14 -7.69229483e-05 1.55439182e-04] [ 3.72566561e-14 -1.56891855e-04 6.08609122e-04] [ 1.22124533e-14 1.56891855e-04 -6.08609122e-04] [ 7.55455687e-05 -3.31904643e-14 1.43597408e-14] [-7.55455686e-05 3.76781939e-15 -3.55161211e-15] [ 9.95427699e-15 7.69229484e-05 -1.55439182e-04] [-2.48911135e-14 -7.69229484e-05 1.55439182e-04] [-1.18256099e-14 -1.56891855e-04 6.08609122e-04] [-1.40946282e-16 1.56891855e-04 -6.08609122e-04] [ 5.38429839e-04 2.15530240e-04 -7.98004728e-05] [ 1.69003642e-04 -1.55080236e-04 -1.40413963e-04] [ 1.69003642e-04 1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 -2.15530240e-04 7.98004728e-05] [-1.69003642e-04 1.55080236e-04 1.40413963e-04] [-5.38429839e-04 -2.15530240e-04 7.98004728e-05] [-1.69003642e-04 -1.55080236e-04 -1.40413963e-04] [-5.38429839e-04 2.15530240e-04 -7.98004728e-05] [ 5.38429839e-04 2.15530240e-04 -7.98004729e-05] [ 1.69003642e-04 -1.55080236e-04 -1.40413963e-04] [ 1.69003642e-04 1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 -2.15530240e-04 7.98004728e-05] [-1.69003642e-04 1.55080236e-04 1.40413963e-04] [-5.38429839e-04 -2.15530240e-04 7.98004728e-05] [-1.69003642e-04 -1.55080236e-04 -1.40413963e-04] [-5.38429839e-04 2.15530240e-04 -7.98004727e-05] [ 1.73527859e-13 -5.45119505e-14 5.55389068e-14] [-1.27013851e-13 1.41340669e-14 -1.86752215e-13] [-6.69464484e-14 4.95049408e-04 5.35665354e-04] [-6.47051857e-15 4.50248639e-04 -4.08286088e-04] [-3.01720454e-14 -4.50248639e-04 4.08286088e-04] [ 4.57515970e-14 -4.95049408e-04 -5.35665354e-04] [ 2.22562599e-05 3.29582997e-04 6.36026931e-05] [ 2.22562599e-05 -3.29582997e-04 -6.36026931e-05] [-2.22562600e-05 3.29582997e-04 6.36026930e-05] [-2.22562598e-05 -3.29582997e-04 -6.36026932e-05] [ 3.02689066e-04 3.02748455e-04 3.29035703e-04] [-3.02689066e-04 3.02748455e-04 3.29035703e-04] [ 3.02689066e-04 -3.02748455e-04 -3.29035703e-04] [-3.02689067e-04 -3.02748455e-04 -3.29035703e-04] [ 1.07526835e-14 4.95049408e-04 5.35665353e-04] [ 2.53573204e-14 4.50248639e-04 -4.08286089e-04] [ 1.37838525e-13 -4.50248639e-04 4.08286089e-04] [-6.35541966e-14 -4.95049408e-04 -5.35665353e-04] [ 2.22562596e-05 3.29582997e-04 6.36026934e-05] [ 2.22562597e-05 -3.29582997e-04 -6.36026933e-05] [-2.22562595e-05 3.29582997e-04 6.36026934e-05] [-2.22562595e-05 -3.29582997e-04 -6.36026934e-05] [ 3.02689067e-04 3.02748455e-04 3.29035703e-04] [-3.02689067e-04 3.02748455e-04 3.29035703e-04] [ 3.02689067e-04 -3.02748455e-04 -3.29035703e-04] [-3.02689067e-04 -3.02748455e-04 -3.29035703e-04]] Final stress: [ 2.50740657e-05 2.50834146e-05 -1.38512219e-05 2.73163477e-05 2.99236802e-17 -8.64461874e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.55455687e-05 2.82269867e-14 1.43561378e-14] [-7.55455688e-05 1.49324997e-14 3.54438701e-14] [-1.80610735e-14 7.69229485e-05 1.55439182e-04] [-2.99760217e-15 -7.69229485e-05 -1.55439182e-04] [ 2.25678851e-14 1.56891855e-04 6.08609123e-04] [-9.93649607e-15 -1.56891855e-04 -6.08609123e-04] [ 7.55455687e-05 3.44954100e-14 5.33315126e-15] [-7.55455687e-05 1.19279586e-14 -4.87743531e-14] [-2.76996308e-14 7.69229486e-05 1.55439182e-04] [-1.48856621e-14 -7.69229485e-05 -1.55439182e-04] [ 3.13117587e-16 1.56891855e-04 6.08609123e-04] [-3.53983336e-14 -1.56891855e-04 -6.08609123e-04] [-1.69003642e-04 1.55080236e-04 -1.40413963e-04] [-5.38429839e-04 -2.15530240e-04 -7.98004729e-05] [-5.38429839e-04 2.15530240e-04 7.98004728e-05] [-1.69003642e-04 -1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 2.15530240e-04 7.98004728e-05] [ 1.69003642e-04 -1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 -2.15530240e-04 -7.98004728e-05] [ 1.69003642e-04 1.55080236e-04 -1.40413963e-04] [-1.69003642e-04 1.55080236e-04 -1.40413963e-04] [-5.38429839e-04 -2.15530240e-04 -7.98004728e-05] [-5.38429839e-04 2.15530240e-04 7.98004728e-05] [-1.69003642e-04 -1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 2.15530240e-04 7.98004728e-05] [ 1.69003642e-04 -1.55080236e-04 1.40413963e-04] [ 5.38429839e-04 -2.15530240e-04 -7.98004728e-05] [ 1.69003642e-04 1.55080236e-04 -1.40413963e-04] [ 9.70890035e-14 -6.82787160e-14 1.27370337e-13] [-1.23196592e-13 -1.17289321e-13 3.11396443e-14] [ 4.24105195e-14 -4.50248639e-04 -4.08286089e-04] [ 9.50628465e-15 -4.95049409e-04 5.35665354e-04] [ 3.62244956e-14 4.95049409e-04 -5.35665354e-04] [ 6.10865525e-14 4.50248639e-04 4.08286089e-04] [ 2.22562605e-05 -3.29582998e-04 6.36026926e-05] [ 2.22562606e-05 3.29582997e-04 -6.36026925e-05] [-2.22562605e-05 -3.29582998e-04 6.36026927e-05] [-2.22562603e-05 3.29582997e-04 -6.36026928e-05] [ 3.02689067e-04 3.02748456e-04 -3.29035703e-04] [-3.02689067e-04 3.02748456e-04 -3.29035703e-04] [ 3.02689067e-04 -3.02748456e-04 3.29035703e-04] [-3.02689067e-04 -3.02748456e-04 3.29035703e-04] [-6.78654181e-14 -4.50248639e-04 -4.08286090e-04] [-6.79838130e-15 -4.95049409e-04 5.35665354e-04] [ 5.84397981e-14 4.95049409e-04 -5.35665354e-04] [ 2.81892565e-16 4.50248639e-04 4.08286089e-04] [ 2.22562602e-05 -3.29582997e-04 6.36026930e-05] [ 2.22562601e-05 3.29582997e-04 -6.36026931e-05] [-2.22562602e-05 -3.29582997e-04 6.36026931e-05] [-2.22562600e-05 3.29582997e-04 -6.36026932e-05] [ 3.02689067e-04 3.02748455e-04 -3.29035703e-04] [-3.02689067e-04 3.02748455e-04 -3.29035703e-04] [ 3.02689067e-04 -3.02748455e-04 3.29035703e-04] [-3.02689067e-04 -3.02748455e-04 3.29035703e-04]] Final stress: [ 2.50740657e-05 2.50834146e-05 -1.38512219e-05 -2.73163477e-05 1.01408027e-16 3.32485336e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.28538400e-05 7.13968815e-15 4.05847231e-14] [ 6.28538399e-05 3.78308496e-14 1.60427227e-14] [-3.10602238e-14 -6.15690439e-05 -1.63344033e-04] [-1.76247905e-14 6.15690440e-05 1.63344033e-04] [-7.93852831e-15 -1.61987619e-04 -5.78914077e-04] [ 8.18789481e-15 1.61987619e-04 5.78914077e-04] [-6.28538399e-05 5.06283383e-14 2.09096741e-14] [ 6.28538400e-05 4.98550853e-14 1.81150712e-15] [-5.84098742e-14 -6.15690439e-05 -1.63344033e-04] [-2.43420735e-14 6.15690439e-05 1.63344033e-04] [-2.06505819e-14 -1.61987619e-04 -5.78914077e-04] [-1.84717693e-14 1.61987619e-04 5.78914077e-04] [ 1.46562100e-04 -1.50787892e-04 1.34275335e-04] [ 5.07292774e-04 2.08823349e-04 7.63809933e-05] [ 5.07292774e-04 -2.08823349e-04 -7.63809932e-05] [ 1.46562100e-04 1.50787892e-04 -1.34275335e-04] [-5.07292774e-04 -2.08823349e-04 -7.63809933e-05] [-1.46562100e-04 1.50787892e-04 -1.34275334e-04] [-5.07292774e-04 2.08823349e-04 7.63809933e-05] [-1.46562100e-04 -1.50787892e-04 1.34275334e-04] [ 1.46562100e-04 -1.50787892e-04 1.34275334e-04] [ 5.07292774e-04 2.08823349e-04 7.63809933e-05] [ 5.07292774e-04 -2.08823349e-04 -7.63809933e-05] [ 1.46562100e-04 1.50787892e-04 -1.34275334e-04] [-5.07292774e-04 -2.08823349e-04 -7.63809933e-05] [-1.46562100e-04 1.50787892e-04 -1.34275335e-04] [-5.07292774e-04 2.08823349e-04 7.63809932e-05] [-1.46562100e-04 -1.50787892e-04 1.34275335e-04] [ 1.30534472e-13 -8.25728375e-14 1.27453603e-13] [-2.37530915e-13 3.90227056e-14 9.32198388e-14] [-6.68354261e-14 4.33578413e-04 3.73065449e-04] [-1.09912079e-14 4.56418658e-04 -5.18282179e-04] [-5.84879367e-14 -4.56418658e-04 5.18282180e-04] [-1.55446836e-13 -4.33578413e-04 -3.73065449e-04] [-1.15305035e-05 3.18803587e-04 -7.26825679e-05] [-1.15305035e-05 -3.18803587e-04 7.26825680e-05] [ 1.15305031e-05 3.18803587e-04 -7.26825684e-05] [ 1.15305034e-05 -3.18803587e-04 7.26825681e-05] [-2.91528225e-04 -2.91491081e-04 3.19391467e-04] [ 2.91528225e-04 -2.91491081e-04 3.19391467e-04] [-2.91528224e-04 2.91491081e-04 -3.19391467e-04] [ 2.91528224e-04 2.91491081e-04 -3.19391467e-04] [ 4.30645103e-16 4.33578413e-04 3.73065448e-04] [ 5.79991784e-14 4.56418658e-04 -5.18282180e-04] [ 1.70276987e-13 -4.56418658e-04 5.18282180e-04] [ 1.80352261e-13 -4.33578414e-04 -3.73065448e-04] [-1.15305038e-05 3.18803587e-04 -7.26825676e-05] [-1.15305039e-05 -3.18803588e-04 7.26825675e-05] [ 1.15305039e-05 3.18803587e-04 -7.26825675e-05] [ 1.15305038e-05 -3.18803588e-04 7.26825676e-05] [-2.91528224e-04 -2.91491082e-04 3.19391467e-04] [ 2.91528224e-04 -2.91491081e-04 3.19391467e-04] [-2.91528224e-04 2.91491082e-04 -3.19391467e-04] [ 2.91528224e-04 2.91491081e-04 -3.19391467e-04]] Final stress: [-2.52056544e-05 -2.51976190e-05 1.27781145e-05 2.72946598e-05 7.64811868e-17 -3.49153244e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.28538427e-05 -2.58308999e-14 -1.42138905e-14] [ 6.28538426e-05 -4.02178291e-14 8.12405698e-14] [-2.05018294e-14 -6.15690465e-05 1.63344029e-04] [ 2.96707103e-14 6.15690467e-05 -1.63344029e-04] [ 4.35233447e-14 1.61987615e-04 -5.78914075e-04] [ 2.91433544e-15 -1.61987615e-04 5.78914075e-04] [-6.28538427e-05 8.72739381e-15 -4.62542202e-14] [ 6.28538426e-05 3.09821613e-14 -2.87947698e-14] [-4.27977966e-14 -6.15690465e-05 1.63344029e-04] [-3.62270977e-14 6.15690466e-05 -1.63344029e-04] [-6.49241945e-14 1.61987615e-04 -5.78914075e-04] [-1.21430643e-15 -1.61987615e-04 5.78914075e-04] [-5.07292773e-04 -2.08823348e-04 7.63809938e-05] [-1.46562102e-04 1.50787891e-04 1.34275335e-04] [-1.46562102e-04 -1.50787891e-04 -1.34275335e-04] [-5.07292773e-04 2.08823348e-04 -7.63809937e-05] [ 1.46562102e-04 -1.50787891e-04 -1.34275334e-04] [ 5.07292773e-04 2.08823348e-04 -7.63809937e-05] [ 1.46562102e-04 1.50787891e-04 1.34275335e-04] [ 5.07292773e-04 -2.08823348e-04 7.63809937e-05] [-5.07292773e-04 -2.08823348e-04 7.63809938e-05] [-1.46562102e-04 1.50787891e-04 1.34275334e-04] [-1.46562102e-04 -1.50787891e-04 -1.34275335e-04] [-5.07292773e-04 2.08823348e-04 -7.63809938e-05] [ 1.46562102e-04 -1.50787891e-04 -1.34275335e-04] [ 5.07292773e-04 2.08823348e-04 -7.63809938e-05] [ 1.46562102e-04 1.50787891e-04 1.34275334e-04] [ 5.07292773e-04 -2.08823348e-04 7.63809938e-05] [ 2.11719531e-13 -2.15522045e-13 8.89566198e-14] [-2.36555567e-14 -2.42062550e-14 6.02436557e-14] [-9.53681578e-14 -4.56418657e-04 -5.18282174e-04] [-1.10271167e-13 -4.33578411e-04 3.73065450e-04] [ 6.45664078e-14 4.33578411e-04 -3.73065450e-04] [ 1.68719205e-14 4.56418657e-04 5.18282174e-04] [-1.15305048e-05 -3.18803584e-04 -7.26825639e-05] [-1.15305054e-05 3.18803584e-04 7.26825635e-05] [ 1.15305048e-05 -3.18803584e-04 -7.26825641e-05] [ 1.15305051e-05 3.18803584e-04 7.26825640e-05] [-2.91528222e-04 -2.91491079e-04 -3.19391463e-04] [ 2.91528222e-04 -2.91491080e-04 -3.19391463e-04] [-2.91528222e-04 2.91491080e-04 3.19391463e-04] [ 2.91528222e-04 2.91491080e-04 3.19391463e-04] [ 1.63323782e-13 -4.56418658e-04 -5.18282174e-04] [ 2.94679645e-13 -4.33578410e-04 3.73065451e-04] [-7.57545068e-14 4.33578410e-04 -3.73065451e-04] [ 1.28607194e-13 4.56418657e-04 5.18282174e-04] [-1.15305047e-05 -3.18803584e-04 -7.26825642e-05] [-1.15305045e-05 3.18803584e-04 7.26825644e-05] [ 1.15305046e-05 -3.18803584e-04 -7.26825642e-05] [ 1.15305048e-05 3.18803584e-04 7.26825642e-05] [-2.91528222e-04 -2.91491079e-04 -3.19391463e-04] [ 2.91528223e-04 -2.91491079e-04 -3.19391463e-04] [-2.91528222e-04 2.91491079e-04 3.19391463e-04] [ 2.91528223e-04 2.91491079e-04 3.19391463e-04]] Final stress: [-2.52056543e-05 -2.51976190e-05 1.27781144e-05 -2.72946598e-05 -1.96190871e-16 -4.82164004e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.66239515e-05 -2.71969947e-14 -1.55363922e-04] [-7.66239516e-05 1.70141679e-14 1.55363922e-04] [ 6.53917025e-14 7.52465642e-05 -2.10300527e-14] [ 5.41511280e-14 -7.52465641e-05 3.96904731e-14] [-1.56816021e-04 3.26531337e-14 6.08364508e-04] [ 1.56816021e-04 -7.46624984e-15 -6.08364508e-04] [ 7.66239516e-05 5.98006887e-14 -1.55363922e-04] [-7.66239516e-05 1.63454320e-14 1.55363922e-04] [ 2.12533983e-14 7.52465641e-05 -2.50609946e-14] [ 8.05952527e-15 -7.52465641e-05 -5.52005224e-14] [-1.56816021e-04 -6.71169984e-14 6.08364508e-04] [ 1.56816021e-04 4.45849284e-15 -6.08364508e-04] [ 2.15395374e-04 5.38255587e-04 -7.98397637e-05] [-1.55160649e-04 1.68883985e-04 -1.40237658e-04] [-2.15395374e-04 5.38255587e-04 7.98397637e-05] [ 1.55160649e-04 1.68883985e-04 1.40237658e-04] [ 1.55160649e-04 -1.68883985e-04 1.40237659e-04] [-2.15395374e-04 -5.38255587e-04 7.98397637e-05] [ 2.15395374e-04 -5.38255587e-04 -7.98397637e-05] [-1.55160649e-04 -1.68883985e-04 -1.40237659e-04] [ 2.15395374e-04 5.38255587e-04 -7.98397639e-05] [-1.55160649e-04 1.68883985e-04 -1.40237658e-04] [-2.15395374e-04 5.38255588e-04 7.98397636e-05] [ 1.55160649e-04 1.68883985e-04 1.40237659e-04] [ 1.55160649e-04 -1.68883985e-04 1.40237658e-04] [-2.15395374e-04 -5.38255587e-04 7.98397637e-05] [ 2.15395374e-04 -5.38255587e-04 -7.98397637e-05] [-1.55160649e-04 -1.68883985e-04 -1.40237658e-04] [ 1.69114722e-13 -4.28546088e-14 1.40526479e-13] [-1.06087014e-14 -5.48505944e-15 -3.38285276e-14] [ 3.29755674e-04 2.23971885e-05 6.35127923e-05] [ 3.29755674e-04 -2.23971885e-05 6.35127923e-05] [-3.29755674e-04 2.23971880e-05 -6.35127926e-05] [-3.29755674e-04 -2.23971881e-05 -6.35127926e-05] [ 4.94946557e-04 -1.87516669e-13 5.35331110e-04] [-4.49864282e-04 1.25923577e-13 4.08131786e-04] [ 4.49864281e-04 -1.22476682e-13 -4.08131786e-04] [-4.94946557e-04 -5.59014640e-14 -5.35331110e-04] [ 3.02699705e-04 3.02640423e-04 3.29207782e-04] [-3.02699705e-04 3.02640423e-04 -3.29207782e-04] [ 3.02699705e-04 -3.02640424e-04 3.29207782e-04] [-3.02699705e-04 -3.02640423e-04 -3.29207782e-04] [ 3.29755674e-04 2.23971882e-05 6.35127925e-05] [ 3.29755674e-04 -2.23971883e-05 6.35127925e-05] [-3.29755674e-04 2.23971885e-05 -6.35127923e-05] [-3.29755674e-04 -2.23971881e-05 -6.35127927e-05] [ 4.94946557e-04 9.77633869e-14 5.35331110e-04] [-4.49864281e-04 -7.20675689e-14 4.08131787e-04] [ 4.49864282e-04 4.03440302e-14 -4.08131786e-04] [-4.94946557e-04 1.18259135e-13 -5.35331110e-04] [ 3.02699705e-04 3.02640423e-04 3.29207782e-04] [-3.02699705e-04 3.02640423e-04 -3.29207782e-04] [ 3.02699705e-04 -3.02640423e-04 3.29207782e-04] [-3.02699705e-04 -3.02640424e-04 -3.29207782e-04]] Final stress: [ 2.50816766e-05 2.50723347e-05 -1.38465883e-05 -4.98728004e-17 2.73173769e-05 -1.66242668e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.75633130e-05 9.59171978e-15 1.45530364e-04] [-3.75633132e-05 -2.42583731e-14 -1.45530364e-04] [ 3.77202609e-14 3.61836388e-05 3.36857278e-14] [ 5.00433028e-14 -3.61836388e-05 2.16493490e-15] [ 1.46908069e-04 -1.04191829e-14 5.76408076e-04] [-1.46908069e-04 -1.67088565e-14 -5.76408076e-04] [ 3.75633130e-05 -5.90283031e-15 1.45530364e-04] [-3.75633131e-05 -3.23708074e-14 -1.45530364e-04] [-2.50680553e-14 3.61836388e-05 -6.61807853e-14] [-6.26417321e-14 -3.61836387e-05 1.35892357e-14] [ 1.46908069e-04 -4.52794358e-15 5.76408076e-04] [-1.46908069e-04 -1.21815769e-14 -5.76408076e-04] [ 1.65667024e-04 -1.53251039e-04 -1.17202420e-04] [-1.97775819e-04 -5.15490478e-04 -8.49704124e-05] [-1.65667024e-04 -1.53251039e-04 1.17202420e-04] [ 1.97775819e-04 -5.15490478e-04 8.49704125e-05] [ 1.97775819e-04 5.15490478e-04 8.49704123e-05] [-1.65667024e-04 1.53251039e-04 1.17202420e-04] [ 1.65667024e-04 1.53251039e-04 -1.17202420e-04] [-1.97775819e-04 5.15490478e-04 -8.49704124e-05] [ 1.65667024e-04 -1.53251039e-04 -1.17202420e-04] [-1.97775819e-04 -5.15490478e-04 -8.49704123e-05] [-1.65667024e-04 -1.53251039e-04 1.17202420e-04] [ 1.97775819e-04 -5.15490478e-04 8.49704124e-05] [ 1.97775819e-04 5.15490478e-04 8.49704124e-05] [-1.65667024e-04 1.53251039e-04 1.17202420e-04] [ 1.65667024e-04 1.53251039e-04 -1.17202420e-04] [-1.97775819e-04 5.15490478e-04 -8.49704124e-05] [ 2.44831933e-13 3.72202269e-14 1.90514271e-13] [-1.94419134e-14 -1.35940601e-13 -1.05635721e-13] [-3.52316135e-04 4.08106586e-05 5.17717372e-05] [-3.52316135e-04 -4.08106586e-05 5.17717371e-05] [ 3.52316136e-04 4.08106589e-05 -5.17717369e-05] [ 3.52316136e-04 -4.08106587e-05 -5.17717371e-05] [-3.99645913e-04 -2.70894418e-14 -3.87968776e-04] [ 4.81510579e-04 -9.97171096e-14 -4.91667204e-04] [-4.81510578e-04 8.62331040e-15 4.91667204e-04] [ 3.99645913e-04 -7.75959158e-14 3.87968776e-04] [ 2.96333216e-04 2.96287037e-04 -3.51691445e-04] [-2.96333216e-04 2.96287036e-04 3.51691445e-04] [ 2.96333216e-04 -2.96287037e-04 -3.51691445e-04] [-2.96333216e-04 -2.96287036e-04 3.51691445e-04] [-3.52316135e-04 4.08106588e-05 5.17717370e-05] [-3.52316136e-04 -4.08106587e-05 5.17717370e-05] [ 3.52316135e-04 4.08106587e-05 -5.17717371e-05] [ 3.52316136e-04 -4.08106587e-05 -5.17717371e-05] [-3.99645913e-04 -6.38927446e-14 -3.87968776e-04] [ 4.81510578e-04 -1.36696210e-15 -4.91667204e-04] [-4.81510579e-04 -1.27764552e-13 4.91667204e-04] [ 3.99645913e-04 7.18557158e-14 3.87968776e-04] [ 2.96333216e-04 2.96287037e-04 -3.51691445e-04] [-2.96333216e-04 2.96287036e-04 3.51691445e-04] [ 2.96333216e-04 -2.96287037e-04 -3.51691445e-04] [-2.96333216e-04 -2.96287037e-04 3.51691445e-04]] Final stress: [ 2.48545987e-05 2.48461491e-05 -1.32413064e-05 -2.49364002e-17 -2.74518357e-05 1.04732881e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.70565179e-05 1.94007137e-14 -1.55408957e-04] [ 4.70565178e-05 -4.88220575e-14 1.55408957e-04] [-1.74725685e-14 -4.83419381e-05 1.52161270e-14] [ 3.99125177e-14 4.83419382e-05 2.28150832e-14] [-1.54085435e-04 4.10001894e-15 -5.65535596e-04] [ 1.54085435e-04 -4.16333634e-16 5.65535596e-04] [-4.70565179e-05 -3.06586354e-14 -1.55408957e-04] [ 4.70565178e-05 9.14806425e-15 1.55408957e-04] [-2.29525600e-14 -4.83419381e-05 -1.79131360e-14] [-3.63381200e-14 4.83419380e-05 -4.57334642e-14] [-1.54085435e-04 -8.44410240e-16 -5.65535596e-04] [ 1.54085435e-04 1.17140638e-14 5.65535596e-04] [-1.55317793e-04 1.42679698e-04 1.24401100e-04] [ 2.00597122e-04 4.99722742e-04 7.92392169e-05] [ 1.55317793e-04 1.42679698e-04 -1.24401100e-04] [-2.00597122e-04 4.99722742e-04 -7.92392169e-05] [-2.00597122e-04 -4.99722742e-04 -7.92392169e-05] [ 1.55317793e-04 -1.42679698e-04 -1.24401100e-04] [-1.55317793e-04 -1.42679698e-04 1.24401100e-04] [ 2.00597122e-04 -4.99722742e-04 7.92392170e-05] [-1.55317793e-04 1.42679698e-04 1.24401100e-04] [ 2.00597122e-04 4.99722742e-04 7.92392169e-05] [ 1.55317793e-04 1.42679698e-04 -1.24401100e-04] [-2.00597122e-04 4.99722742e-04 -7.92392169e-05] [-2.00597122e-04 -4.99722741e-04 -7.92392169e-05] [ 1.55317793e-04 -1.42679698e-04 -1.24401100e-04] [-1.55317793e-04 -1.42679698e-04 1.24401100e-04] [ 2.00597122e-04 -4.99722741e-04 7.92392169e-05] [ 1.69531056e-13 -1.52655666e-14 1.76941795e-13] [ 1.06926187e-13 2.59045223e-15 2.47185310e-14] [ 3.27075862e-04 -2.19394652e-05 -6.36334470e-05] [ 3.27075862e-04 2.19394654e-05 -6.36334467e-05] [-3.27075862e-04 -2.19394653e-05 6.36334469e-05] [-3.27075862e-04 2.19394656e-05 6.36334466e-05] [ 4.09718161e-04 -5.28466160e-14 3.68710094e-04] [-4.53392878e-04 5.38111222e-15 4.95835598e-04] [ 4.53392878e-04 -2.68934180e-14 -4.95835598e-04] [-4.09718161e-04 8.03367789e-14 -3.68710094e-04] [-2.88354990e-04 -2.88387474e-04 3.27698985e-04] [ 2.88354990e-04 -2.88387474e-04 -3.27698985e-04] [-2.88354990e-04 2.88387474e-04 3.27698985e-04] [ 2.88354990e-04 2.88387474e-04 -3.27698985e-04] [ 3.27075862e-04 -2.19394657e-05 -6.36334465e-05] [ 3.27075862e-04 2.19394656e-05 -6.36334465e-05] [-3.27075862e-04 -2.19394658e-05 6.36334464e-05] [-3.27075862e-04 2.19394658e-05 6.36334462e-05] [ 4.09718161e-04 -1.21988360e-13 3.68710093e-04] [-4.53392878e-04 -6.07784222e-14 4.95835598e-04] [ 4.53392878e-04 -5.39642116e-14 -4.95835598e-04] [-4.09718161e-04 -1.40788856e-13 -3.68710094e-04] [-2.88354990e-04 -2.88387474e-04 3.27698985e-04] [ 2.88354990e-04 -2.88387474e-04 -3.27698985e-04] [-2.88354991e-04 2.88387474e-04 3.27698985e-04] [ 2.88354991e-04 2.88387474e-04 -3.27698985e-04]] Final stress: [-2.51083737e-05 -2.51160638e-05 1.24831494e-05 1.33010760e-17 2.73888921e-05 -3.99032279e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.15690514e-05 -1.92502264e-14 1.63344022e-04] [ 6.15690511e-05 2.93653990e-14 -1.63344023e-04] [ 1.78056354e-14 -6.28538472e-05 1.37975568e-14] [-8.65973959e-15 6.28538476e-05 -1.30173650e-14] [ 1.61987609e-04 -4.24183258e-14 -5.78914073e-04] [-1.61987609e-04 4.93216579e-14 5.78914073e-04] [-6.15690513e-05 6.05574618e-14 1.63344022e-04] [ 6.15690513e-05 -2.37791557e-14 -1.63344022e-04] [-7.65659237e-14 -6.28538472e-05 1.23974170e-14] [-2.42241123e-14 6.28538474e-05 2.11070690e-15] [ 1.61987609e-04 -1.40001196e-14 -5.78914073e-04] [-1.61987609e-04 -5.37366413e-14 5.78914073e-04] [-2.08823346e-04 -5.07292774e-04 7.63809945e-05] [ 1.50787889e-04 -1.46562106e-04 1.34275335e-04] [ 2.08823346e-04 -5.07292774e-04 -7.63809944e-05] [-1.50787889e-04 -1.46562106e-04 -1.34275335e-04] [-1.50787889e-04 1.46562106e-04 -1.34275335e-04] [ 2.08823346e-04 5.07292774e-04 -7.63809944e-05] [-2.08823346e-04 5.07292774e-04 7.63809946e-05] [ 1.50787889e-04 1.46562106e-04 1.34275335e-04] [-2.08823346e-04 -5.07292774e-04 7.63809946e-05] [ 1.50787889e-04 -1.46562106e-04 1.34275335e-04] [ 2.08823346e-04 -5.07292774e-04 -7.63809946e-05] [-1.50787889e-04 -1.46562106e-04 -1.34275335e-04] [-1.50787889e-04 1.46562106e-04 -1.34275335e-04] [ 2.08823346e-04 5.07292774e-04 -7.63809945e-05] [-2.08823346e-04 5.07292774e-04 7.63809945e-05] [ 1.50787889e-04 1.46562106e-04 1.34275335e-04] [ 2.32092123e-13 -2.73336909e-13 3.43336470e-14] [-5.35574189e-14 -1.04404990e-13 -9.61218032e-14] [-3.18803578e-04 -1.15305071e-05 -7.26825579e-05] [-3.18803578e-04 1.15305072e-05 -7.26825576e-05] [ 3.18803578e-04 -1.15305073e-05 7.26825577e-05] [ 3.18803578e-04 1.15305076e-05 7.26825573e-05] [-4.56418657e-04 1.74305015e-13 -5.18282167e-04] [ 4.33578407e-04 9.16714621e-14 -3.73065454e-04] [-4.33578407e-04 1.51788304e-14 3.73065454e-04] [ 4.56418657e-04 3.94493466e-14 5.18282167e-04] [-2.91491077e-04 -2.91528219e-04 -3.19391458e-04] [ 2.91491077e-04 -2.91528219e-04 3.19391457e-04] [-2.91491077e-04 2.91528219e-04 -3.19391458e-04] [ 2.91491077e-04 2.91528220e-04 3.19391458e-04] [-3.18803578e-04 -1.15305067e-05 -7.26825582e-05] [-3.18803578e-04 1.15305065e-05 -7.26825585e-05] [ 3.18803578e-04 -1.15305066e-05 7.26825584e-05] [ 3.18803578e-04 1.15305064e-05 7.26825587e-05] [-4.56418658e-04 -2.91387997e-13 -5.18282166e-04] [ 4.33578406e-04 -2.45506740e-13 -3.73065455e-04] [-4.33578406e-04 -2.51566563e-13 3.73065455e-04] [ 4.56418658e-04 -1.47641014e-13 5.18282166e-04] [-2.91491077e-04 -2.91528220e-04 -3.19391457e-04] [ 2.91491076e-04 -2.91528220e-04 3.19391458e-04] [-2.91491077e-04 2.91528220e-04 -3.19391457e-04] [ 2.91491077e-04 2.91528220e-04 3.19391458e-04]] Final stress: [-2.51976190e-05 -2.52056544e-05 1.27781142e-05 -4.32284969e-17 -2.72946599e-05 -6.65053799e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.95687380e-04 5.61881550e-05 4.49354096e-14] [-2.95687380e-04 -5.61881552e-05 4.61020111e-14] [ 5.61881551e-05 2.95687380e-04 7.64583709e-14] [-5.61881550e-05 -2.95687380e-04 1.66533454e-16] [ 5.91497337e-15 -1.21185180e-13 1.01319118e-03] [ 6.46982468e-14 -5.27355937e-15 -1.01319118e-03] [ 2.95687380e-04 5.61881550e-05 3.52796684e-14] [-2.95687380e-04 -5.61881550e-05 3.03467242e-14] [ 5.61881549e-05 2.95687380e-04 1.08716427e-13] [-5.61881549e-05 -2.95687380e-04 2.64325166e-14] [-6.56961464e-14 1.22878571e-13 1.01319118e-03] [ 1.70106984e-14 4.89398793e-14 -1.01319118e-03] [ 2.94384873e-04 2.94384873e-04 4.73517366e-04] [-2.94384873e-04 -2.94384873e-04 4.73517366e-04] [-2.66931930e-04 2.66931930e-04 8.73643369e-04] [ 2.66931930e-04 -2.66931930e-04 8.73643369e-04] [ 2.94384873e-04 2.94384873e-04 -4.73517366e-04] [-2.94384873e-04 -2.94384873e-04 -4.73517366e-04] [ 2.66931930e-04 -2.66931930e-04 -8.73643369e-04] [-2.66931930e-04 2.66931930e-04 -8.73643369e-04] [ 2.94384874e-04 2.94384873e-04 4.73517366e-04] [-2.94384873e-04 -2.94384873e-04 4.73517366e-04] [-2.66931930e-04 2.66931930e-04 8.73643369e-04] [ 2.66931930e-04 -2.66931930e-04 8.73643369e-04] [ 2.94384874e-04 2.94384873e-04 -4.73517366e-04] [-2.94384873e-04 -2.94384873e-04 -4.73517366e-04] [ 2.66931930e-04 -2.66931930e-04 -8.73643369e-04] [-2.66931930e-04 2.66931930e-04 -8.73643369e-04] [-1.49380508e-13 -2.65454325e-13 9.78939152e-14] [-1.47990127e-13 8.11825961e-14 -3.26372119e-14] [ 3.68036397e-04 1.49500662e-04 -9.14904242e-05] [-3.68036397e-04 -1.49500662e-04 -9.14904243e-05] [ 3.68036397e-04 1.49500661e-04 9.14904240e-05] [-3.68036397e-04 -1.49500661e-04 9.14904241e-05] [ 1.49500661e-04 3.68036397e-04 -9.14904233e-05] [ 1.49500661e-04 3.68036397e-04 9.14904236e-05] [-1.49500662e-04 -3.68036397e-04 -9.14904241e-05] [-1.49500661e-04 -3.68036397e-04 9.14904240e-05] [ 1.21283871e-03 1.21283871e-03 -1.25788269e-13] [ 2.70768490e-04 -2.70768490e-04 -4.40862624e-14] [-2.70768490e-04 2.70768490e-04 4.66189587e-14] [-1.21283871e-03 -1.21283871e-03 -1.30038341e-13] [ 3.68036397e-04 1.49500661e-04 -9.14904240e-05] [-3.68036397e-04 -1.49500661e-04 -9.14904238e-05] [ 3.68036397e-04 1.49500661e-04 9.14904241e-05] [-3.68036397e-04 -1.49500661e-04 9.14904239e-05] [ 1.49500661e-04 3.68036397e-04 -9.14904239e-05] [ 1.49500662e-04 3.68036397e-04 9.14904244e-05] [-1.49500662e-04 -3.68036397e-04 -9.14904242e-05] [-1.49500662e-04 -3.68036397e-04 9.14904245e-05] [ 1.21283871e-03 1.21283871e-03 -6.33384962e-16] [ 2.70768490e-04 -2.70768490e-04 8.98235682e-14] [-2.70768490e-04 2.70768491e-04 6.04327040e-14] [-1.21283871e-03 -1.21283871e-03 -1.11500652e-13]] Final stress: [ 2.84544001e-05 2.84544001e-05 -2.61902428e-05 1.82866935e-17 -3.00899229e-16 2.89875145e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.86386888e-04 -4.87557881e-05 -1.88742251e-14] [-2.86386888e-04 4.87557881e-05 -9.25093335e-14] [-4.87557881e-05 2.86386888e-04 -3.21977688e-14] [ 4.87557882e-05 -2.86386888e-04 -9.91151605e-14] [-5.03551194e-14 -2.33293853e-13 1.02102207e-03] [-3.06421555e-14 -1.90458760e-13 -1.02102207e-03] [ 2.86386888e-04 -4.87557882e-05 5.26647855e-14] [-2.86386888e-04 4.87557881e-05 -1.35969662e-13] [-4.87557881e-05 2.86386888e-04 4.40229620e-14] [ 4.87557879e-05 -2.86386888e-04 6.62670223e-14] [-5.27811302e-14 -3.72301993e-14 1.02102207e-03] [ 1.05897929e-13 4.10941125e-14 -1.02102207e-03] [ 2.72728723e-04 2.72728723e-04 -8.73020932e-04] [-2.72728723e-04 -2.72728723e-04 -8.73020932e-04] [-2.97417882e-04 2.97417882e-04 -4.73794697e-04] [ 2.97417882e-04 -2.97417882e-04 -4.73794697e-04] [ 2.72728723e-04 2.72728723e-04 8.73020932e-04] [-2.72728723e-04 -2.72728723e-04 8.73020932e-04] [ 2.97417882e-04 -2.97417882e-04 4.73794697e-04] [-2.97417882e-04 2.97417882e-04 4.73794697e-04] [ 2.72728724e-04 2.72728723e-04 -8.73020932e-04] [-2.72728723e-04 -2.72728723e-04 -8.73020932e-04] [-2.97417882e-04 2.97417882e-04 -4.73794698e-04] [ 2.97417881e-04 -2.97417882e-04 -4.73794697e-04] [ 2.72728723e-04 2.72728723e-04 8.73020932e-04] [-2.72728723e-04 -2.72728723e-04 8.73020932e-04] [ 2.97417881e-04 -2.97417882e-04 4.73794698e-04] [-2.97417882e-04 2.97417882e-04 4.73794698e-04] [-2.55157007e-13 -9.72111280e-13 -1.28341782e-13] [-1.82264794e-13 -6.57949478e-14 8.35361911e-14] [-3.82144412e-04 1.47955580e-04 -8.17680172e-05] [ 3.82144411e-04 -1.47955579e-04 -8.17680168e-05] [-3.82144411e-04 1.47955580e-04 8.17680175e-05] [ 3.82144411e-04 -1.47955579e-04 8.17680165e-05] [ 1.47955578e-04 -3.82144411e-04 -8.17680160e-05] [ 1.47955579e-04 -3.82144411e-04 8.17680163e-05] [-1.47955579e-04 3.82144411e-04 -8.17680167e-05] [-1.47955579e-04 3.82144411e-04 8.17680170e-05] [-2.68884158e-04 -2.68884158e-04 3.80917520e-13] [-1.22504730e-03 1.22504730e-03 5.97386723e-14] [ 1.22504730e-03 -1.22504730e-03 5.06990283e-13] [ 2.68884157e-04 2.68884158e-04 -1.82368010e-13] [-3.82144411e-04 1.47955579e-04 -8.17680164e-05] [ 3.82144412e-04 -1.47955579e-04 -8.17680167e-05] [-3.82144411e-04 1.47955579e-04 8.17680160e-05] [ 3.82144412e-04 -1.47955579e-04 8.17680164e-05] [ 1.47955580e-04 -3.82144411e-04 -8.17680169e-05] [ 1.47955580e-04 -3.82144411e-04 8.17680174e-05] [-1.47955580e-04 3.82144410e-04 -8.17680172e-05] [-1.47955579e-04 3.82144411e-04 8.17680165e-05] [-2.68884158e-04 -2.68884158e-04 2.24799378e-15] [-1.22504730e-03 1.22504730e-03 -4.43219815e-14] [ 1.22504730e-03 -1.22504730e-03 -1.59068396e-13] [ 2.68884159e-04 2.68884157e-04 -1.54036072e-13]] Final stress: [ 2.84897599e-05 2.84897599e-05 -2.66880889e-05 -1.89516642e-16 2.02816055e-16 -2.89082388e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.79474118e-05 -1.58037179e-04 -8.38478592e-15] [ 5.79474117e-05 1.58037179e-04 -5.05151476e-15] [-1.58037179e-04 -5.79474118e-05 1.75311154e-14] [ 1.58037179e-04 5.79474118e-05 1.36834988e-14] [ 6.38291503e-15 -4.84837864e-14 -5.81577488e-04] [ 3.25850458e-14 2.96984659e-14 5.81577488e-04] [-5.79474119e-05 -1.58037179e-04 -1.89921413e-14] [ 5.79474117e-05 1.58037179e-04 -2.12480535e-14] [-1.58037179e-04 -5.79474119e-05 6.47576777e-15] [ 1.58037179e-04 5.79474117e-05 4.64702473e-15] [-9.00859248e-14 -3.87879307e-14 -5.81577488e-04] [-5.50167550e-14 -9.17844812e-15 5.81577488e-04] [-1.54824825e-04 -1.54824825e-04 4.33880823e-04] [ 1.54824825e-04 1.54824825e-04 4.33880823e-04] [ 2.06937561e-04 -2.06937561e-04 2.25279960e-04] [-2.06937561e-04 2.06937561e-04 2.25279960e-04] [-1.54824825e-04 -1.54824825e-04 -4.33880822e-04] [ 1.54824825e-04 1.54824825e-04 -4.33880823e-04] [-2.06937561e-04 2.06937561e-04 -2.25279960e-04] [ 2.06937561e-04 -2.06937561e-04 -2.25279960e-04] [-1.54824825e-04 -1.54824825e-04 4.33880822e-04] [ 1.54824825e-04 1.54824825e-04 4.33880822e-04] [ 2.06937561e-04 -2.06937561e-04 2.25279960e-04] [-2.06937561e-04 2.06937561e-04 2.25279960e-04] [-1.54824825e-04 -1.54824825e-04 -4.33880823e-04] [ 1.54824825e-04 1.54824825e-04 -4.33880823e-04] [-2.06937561e-04 2.06937561e-04 -2.25279960e-04] [ 2.06937561e-04 -2.06937561e-04 -2.25279960e-04] [ 1.02584607e-13 -5.28188604e-14 2.34090525e-13] [ 2.01208408e-13 9.78557001e-14 4.27021254e-14] [ 3.26404732e-04 -1.65556558e-05 -6.90676796e-05] [-3.26404732e-04 1.65556556e-05 -6.90676797e-05] [ 3.26404732e-04 -1.65556559e-05 6.90676794e-05] [-3.26404732e-04 1.65556560e-05 6.90676793e-05] [-1.65556560e-05 3.26404732e-04 -6.90676793e-05] [-1.65556563e-05 3.26404732e-04 6.90676791e-05] [ 1.65556556e-05 -3.26404732e-04 -6.90676797e-05] [ 1.65556560e-05 -3.26404732e-04 6.90676795e-05] [ 1.52970767e-04 1.52970767e-04 -7.67164110e-14] [ 7.38803613e-04 -7.38803613e-04 -1.03713912e-13] [-7.38803613e-04 7.38803613e-04 6.85042301e-14] [-1.52970767e-04 -1.52970767e-04 -7.99256494e-14] [ 3.26404732e-04 -1.65556559e-05 -6.90676795e-05] [-3.26404732e-04 1.65556562e-05 -6.90676792e-05] [ 3.26404732e-04 -1.65556558e-05 6.90676796e-05] [-3.26404732e-04 1.65556559e-05 6.90676794e-05] [-1.65556560e-05 3.26404732e-04 -6.90676793e-05] [-1.65556556e-05 3.26404732e-04 6.90676797e-05] [ 1.65556558e-05 -3.26404732e-04 -6.90676794e-05] [ 1.65556558e-05 -3.26404732e-04 6.90676795e-05] [ 1.52970767e-04 1.52970767e-04 2.60269310e-13] [ 7.38803614e-04 -7.38803613e-04 2.62689644e-13] [-7.38803613e-04 7.38803614e-04 8.61409028e-14] [-1.52970767e-04 -1.52970767e-04 1.16590331e-13]] Final stress: [-2.52006575e-05 -2.52006575e-05 1.28630857e-05 -1.67926084e-16 -6.65053799e-17 2.73268846e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.16216826e-05 1.54838051e-04 3.10936173e-14] [ 5.16216825e-05 -1.54838051e-04 -3.55271368e-15] [ 1.54838051e-04 -5.16216826e-05 2.29855197e-14] [-1.54838051e-04 5.16216825e-05 1.04083409e-14] [-5.82693616e-15 3.59087760e-14 -5.75821127e-04] [ 1.68198788e-14 3.30846461e-14 5.75821127e-04] [-5.16216825e-05 1.54838051e-04 -1.57066766e-14] [ 5.16216826e-05 -1.54838051e-04 -2.98950009e-14] [ 1.54838051e-04 -5.16216824e-05 -2.17582144e-14] [-1.54838051e-04 5.16216826e-05 -3.25429012e-14] [-2.84169389e-14 -4.19836570e-14 -5.75821127e-04] [-1.59503487e-14 4.13527875e-15 5.75821127e-04] [-2.03453919e-04 -2.03453919e-04 -2.24227552e-04] [ 2.03453919e-04 2.03453919e-04 -2.24227552e-04] [ 1.56753866e-04 -1.56753866e-04 -4.29782259e-04] [-1.56753866e-04 1.56753866e-04 -4.29782259e-04] [-2.03453919e-04 -2.03453919e-04 2.24227552e-04] [ 2.03453919e-04 2.03453919e-04 2.24227552e-04] [-1.56753866e-04 1.56753866e-04 4.29782259e-04] [ 1.56753866e-04 -1.56753866e-04 4.29782259e-04] [-2.03453919e-04 -2.03453919e-04 -2.24227552e-04] [ 2.03453919e-04 2.03453919e-04 -2.24227552e-04] [ 1.56753866e-04 -1.56753866e-04 -4.29782259e-04] [-1.56753866e-04 1.56753866e-04 -4.29782259e-04] [-2.03453919e-04 -2.03453919e-04 2.24227552e-04] [ 2.03453919e-04 2.03453919e-04 2.24227552e-04] [-1.56753866e-04 1.56753866e-04 4.29782259e-04] [ 1.56753866e-04 -1.56753866e-04 4.29782259e-04] [ 8.02691247e-14 4.29933866e-14 1.22096777e-13] [-1.33676056e-13 -1.63734437e-13 1.50684682e-13] [-3.30008938e-04 -2.09066369e-05 -6.53775881e-05] [ 3.30008938e-04 2.09066369e-05 -6.53775881e-05] [-3.30008938e-04 -2.09066371e-05 6.53775880e-05] [ 3.30008938e-04 2.09066371e-05 6.53775880e-05] [-2.09066367e-05 -3.30008938e-04 -6.53775883e-05] [-2.09066370e-05 -3.30008938e-04 6.53775881e-05] [ 2.09066367e-05 3.30008938e-04 -6.53775884e-05] [ 2.09066370e-05 3.30008938e-04 6.53775882e-05] [-7.31721546e-04 -7.31721546e-04 2.23154828e-14] [-1.48525530e-04 1.48525531e-04 4.88619561e-14] [ 1.48525531e-04 -1.48525530e-04 -9.48286588e-14] [ 7.31721547e-04 7.31721546e-04 1.80463283e-14] [-3.30008938e-04 -2.09066369e-05 -6.53775881e-05] [ 3.30008938e-04 2.09066369e-05 -6.53775881e-05] [-3.30008938e-04 -2.09066367e-05 6.53775883e-05] [ 3.30008938e-04 2.09066369e-05 6.53775882e-05] [-2.09066370e-05 -3.30008938e-04 -6.53775880e-05] [-2.09066370e-05 -3.30008938e-04 6.53775880e-05] [ 2.09066369e-05 3.30008938e-04 -6.53775882e-05] [ 2.09066367e-05 3.30008938e-04 6.53775883e-05] [-7.31721546e-04 -7.31721547e-04 1.76993462e-13] [-1.48525531e-04 1.48525530e-04 9.91262262e-14] [ 1.48525531e-04 -1.48525530e-04 1.17619652e-13] [ 7.31721546e-04 7.31721546e-04 1.79841385e-13]] Final stress: [-2.51620430e-05 -2.51620430e-05 1.27385250e-05 -2.32768829e-17 -2.66021519e-17 -2.73654536e-05] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 8.83863926e-03 -4.62490289e-14 -1.11283378e-13] [-8.83863926e-03 -7.98805466e-14 -5.39013278e-14] [ 1.36478068e-13 6.98863618e-03 1.42854478e-13] [ 7.18869408e-14 -6.98863618e-03 1.62231339e-13] [ 1.34186932e-13 -2.30922052e-14 6.98863618e-03] [ 8.64031069e-14 -8.96505092e-14 -6.98863618e-03] [ 8.83863926e-03 -2.61396807e-14 1.33570942e-13] [-8.83863926e-03 -1.02580704e-13 6.19856123e-14] [ 1.32878517e-13 6.98863618e-03 5.86411412e-14] [ 2.51726157e-13 -6.98863618e-03 3.09890432e-14] [ 2.29026867e-15 -5.25687993e-14 6.98863618e-03] [ 7.02563008e-15 -3.66094909e-13 -6.98863618e-03] [-1.28852966e-03 2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 -2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 -2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 2.31134110e-03 -2.31134110e-03] [ 1.28852966e-03 -2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 -2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 2.31134110e-03 2.31134110e-03] [-1.28852966e-03 2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 -2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 -2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 2.31134110e-03 -2.31134110e-03] [ 1.28852966e-03 -2.31134110e-03 -2.31134110e-03] [-1.28852966e-03 -2.31134110e-03 2.31134110e-03] [ 1.28852966e-03 2.31134110e-03 2.31134110e-03] [-2.51743071e-14 -1.79967152e-13 -2.78554957e-13] [-2.74660503e-13 1.41878251e-13 -1.39203680e-13] [-1.42108547e-14 5.58731268e-03 5.58731268e-03] [ 5.89771287e-14 -5.58731268e-03 5.58731268e-03] [-1.40684339e-13 5.58731268e-03 -5.58731268e-03] [-2.71171974e-14 -5.58731268e-03 -5.58731268e-03] [ 1.41331093e-03 -6.60582700e-14 2.16139787e-03] [ 1.41331093e-03 -9.99669098e-14 -2.16139787e-03] [-1.41331093e-03 -1.70349845e-15 2.16139787e-03] [-1.41331093e-03 3.91353616e-14 -2.16139787e-03] [ 1.41331093e-03 2.16139787e-03 -2.58459920e-13] [-1.41331093e-03 2.16139787e-03 -1.13884596e-13] [ 1.41331093e-03 -2.16139787e-03 -9.10365533e-14] [-1.41331093e-03 -2.16139787e-03 1.22093308e-13] [-3.90139310e-15 5.58731268e-03 5.58731268e-03] [-1.12107806e-13 -5.58731268e-03 5.58731268e-03] [-4.47736466e-14 5.58731268e-03 -5.58731268e-03] [-1.84331717e-14 -5.58731268e-03 -5.58731268e-03] [ 1.41331093e-03 6.58353484e-14 2.16139787e-03] [ 1.41331093e-03 3.43106620e-14 -2.16139787e-03] [-1.41331093e-03 3.64447188e-13 2.16139787e-03] [-1.41331093e-03 1.52554185e-13 -2.16139787e-03] [ 1.41331093e-03 2.16139787e-03 -2.08461775e-13] [-1.41331093e-03 2.16139787e-03 3.59677091e-14] [ 1.41331093e-03 -2.16139787e-03 1.27984849e-14] [-1.41331093e-03 -2.16139787e-03 3.33652377e-14]] Final stress: [-3.02220474e-04 4.70262333e-05 4.70262333e-05 3.17518534e-16 6.98208294e-17 -1.18030450e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.98264484e-03 -1.50145955e-13 3.45782430e-14] [ 4.98264484e-03 -9.36750677e-14 -5.35682609e-15] [ 1.27036402e-13 -3.25999670e-03 -4.24773064e-14] [ 1.56236135e-13 3.25999670e-03 6.42819131e-14] [-4.71077170e-14 -5.66395889e-14 -3.25999670e-03] [ 3.69149156e-14 -1.49880108e-13 3.25999670e-03] [-4.98264484e-03 -1.38039320e-13 -1.38655545e-14] [ 4.98264484e-03 -8.16699139e-14 -2.83400834e-14] [ 5.20009383e-14 -3.25999670e-03 -2.90331334e-14] [-1.60158345e-15 3.25999670e-03 3.38360092e-15] [ 7.23800360e-14 -5.06664535e-14 -3.25999670e-03] [ 3.11920628e-14 -6.62750480e-14 3.25999670e-03] [ 9.41356262e-04 -1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 -1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 -1.58958968e-03 1.58958968e-03] [-9.41356262e-04 1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 -1.58958968e-03 -1.58958968e-03] [ 9.41356262e-04 -1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 -1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 -1.58958968e-03 1.58958968e-03] [-9.41356262e-04 1.58958968e-03 1.58958968e-03] [ 9.41356262e-04 1.58958968e-03 -1.58958968e-03] [-9.41356262e-04 -1.58958968e-03 -1.58958968e-03] [-7.62723218e-14 -1.00502939e-13 -6.75015599e-14] [-5.35678273e-14 -6.21418515e-14 -6.06810953e-14] [ 8.80406859e-14 -3.63205003e-03 -3.63205003e-03] [ 5.19011917e-14 3.63205003e-03 -3.63205003e-03] [ 1.37910516e-15 -3.63205003e-03 3.63205003e-03] [ 9.78644249e-14 3.63205003e-03 3.63205003e-03] [-7.76827501e-04 9.43689571e-15 -1.03929207e-03] [-7.76827501e-04 1.88564442e-14 1.03929207e-03] [ 7.76827501e-04 3.08485876e-14 -1.03929207e-03] [ 7.76827501e-04 -4.15535661e-14 1.03929207e-03] [-7.76827501e-04 -1.03929207e-03 -1.78967952e-13] [ 7.76827502e-04 -1.03929207e-03 -9.05907294e-14] [-7.76827501e-04 1.03929207e-03 -3.84987181e-14] [ 7.76827501e-04 1.03929207e-03 3.71976755e-14] [-6.51791988e-14 -3.63205003e-03 -3.63205003e-03] [-2.33428728e-14 3.63205003e-03 -3.63205003e-03] [-1.42793329e-13 -3.63205003e-03 3.63205003e-03] [-3.32646237e-14 3.63205003e-03 3.63205003e-03] [-7.76827502e-04 4.52317364e-14 -1.03929207e-03] [-7.76827501e-04 2.77280369e-14 1.03929207e-03] [ 7.76827501e-04 1.75392686e-13 -1.03929207e-03] [ 7.76827501e-04 5.74236839e-14 1.03929207e-03] [-7.76827501e-04 -1.03929207e-03 -7.42885871e-14] [ 7.76827501e-04 -1.03929207e-03 -9.76547876e-14] [-7.76827501e-04 1.03929207e-03 1.16939492e-13] [ 7.76827501e-04 1.03929207e-03 6.35160327e-14]] Final stress: [ 1.83478648e-04 -3.65226833e-05 -3.65226833e-05 -2.42748429e-16 1.18048893e-16 -9.47716468e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.55078751e-03 -2.52483364e-13 -3.18047238e-13] [-2.55078751e-03 -2.80303558e-13 3.04700709e-13] [ 3.21540537e-13 2.55078751e-03 5.24309329e-13] [ 9.77579129e-13 -2.55078751e-03 7.19951876e-13] [ 3.31991813e-13 -4.44528962e-13 1.09645611e-05] [ 1.27564626e-13 -2.93404190e-13 -1.09645643e-05] [ 2.55078751e-03 -1.40743320e-13 -6.07418028e-13] [-2.55078751e-03 3.15348008e-13 -2.01246558e-13] [-6.97240009e-13 2.55078751e-03 -4.52389065e-13] [-3.17764044e-13 -2.55078751e-03 -9.78809486e-13] [-6.59482885e-13 -3.43896252e-13 1.09645617e-05] [-7.99558336e-13 2.55478532e-13 -1.09645641e-05] [ 1.66216034e-04 1.66216035e-04 1.22994068e-03] [-1.66216034e-04 -1.66216034e-04 1.22994069e-03] [-1.66216032e-04 1.66216034e-04 -1.22994068e-03] [ 1.66216034e-04 -1.66216034e-04 -1.22994068e-03] [ 1.66216034e-04 1.66216034e-04 -1.22994068e-03] [-1.66216034e-04 -1.66216033e-04 -1.22994068e-03] [ 1.66216035e-04 -1.66216033e-04 1.22994069e-03] [-1.66216033e-04 1.66216034e-04 1.22994068e-03] [ 1.66216032e-04 1.66216036e-04 1.22994068e-03] [-1.66216033e-04 -1.66216033e-04 1.22994068e-03] [-1.66216035e-04 1.66216035e-04 -1.22994069e-03] [ 1.66216033e-04 -1.66216033e-04 -1.22994068e-03] [ 1.66216034e-04 1.66216035e-04 -1.22994069e-03] [-1.66216034e-04 -1.66216033e-04 -1.22994068e-03] [ 1.66216032e-04 -1.66216033e-04 1.22994068e-03] [-1.66216034e-04 1.66216036e-04 1.22994068e-03] [ 3.08197912e-13 -3.46764284e-12 2.63367106e-12] [-1.39750624e-13 1.71004254e-12 3.48244708e-13] [ 8.26672064e-13 1.32656779e-03 -8.50768925e-04] [-2.91766611e-13 -1.32656779e-03 -8.50768924e-04] [ 1.33181660e-12 1.32656780e-03 8.50768927e-04] [-1.34227872e-12 -1.32656779e-03 8.50768922e-04] [ 1.32656779e-03 -2.47946108e-12 -8.50768919e-04] [ 1.32656779e-03 -1.45581464e-13 8.50768920e-04] [-1.32656779e-03 -1.38241849e-12 -8.50768923e-04] [-1.32656779e-03 1.71147818e-13 8.50768922e-04] [-2.81085812e-04 -2.81085812e-04 2.51798582e-12] [ 2.81085811e-04 -2.81085814e-04 2.11607641e-12] [-2.81085809e-04 2.81085813e-04 6.56578958e-13] [ 2.81085811e-04 2.81085812e-04 -2.48398524e-13] [ 3.58394737e-13 1.32656779e-03 -8.50768922e-04] [ 6.49003854e-13 -1.32656779e-03 -8.50768922e-04] [-5.22657004e-13 1.32656779e-03 8.50768924e-04] [ 1.32912301e-12 -1.32656779e-03 8.50768919e-04] [ 1.32656779e-03 -1.17755488e-12 -8.50768924e-04] [ 1.32656779e-03 -1.45979366e-13 8.50768923e-04] [-1.32656780e-03 -3.27130770e-12 -8.50768924e-04] [-1.32656779e-03 -1.85068063e-12 8.50768922e-04] [-2.81085812e-04 -2.81085812e-04 2.46296419e-12] [ 2.81085814e-04 -2.81085809e-04 1.59069020e-12] [-2.81085813e-04 2.81085810e-04 4.58550603e-14] [ 2.81085813e-04 2.81085810e-04 3.24203771e-13]] Final stress: [-2.61396776e-05 -2.61396776e-05 8.50233960e-05 -4.83758603e-16 -2.82608119e-17 -1.52608384e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.46061757e-03 -1.08634889e-13 7.55905755e-15] [-2.46061757e-03 -1.08635323e-13 7.77433673e-14] [ 1.51955271e-13 -2.35698091e-03 7.20526069e-14] [ 1.42941214e-13 2.35698091e-03 1.15740750e-13] [-4.48295914e-15 -1.36015765e-13 5.18468906e-05] [-9.21485110e-15 -1.46299639e-13 -5.18468904e-05] [ 2.46061757e-03 -2.61813141e-15 -5.02016414e-14] [-2.46061757e-03 -1.33293550e-13 -1.85393555e-14] [ 6.12743363e-14 -2.35698091e-03 2.97198514e-14] [ 6.29292625e-14 2.35698091e-03 5.66250489e-14] [-5.15559817e-14 -5.44281600e-14 5.18468903e-05] [-1.02595449e-13 -1.10711697e-13 -5.18468904e-05] [ 2.53475726e-04 -2.65906648e-04 -7.18097577e-06] [-2.53475727e-04 2.65906648e-04 -7.18097589e-06] [-2.53475727e-04 -2.65906648e-04 7.18097589e-06] [ 2.53475726e-04 2.65906648e-04 7.18097577e-06] [ 2.53475726e-04 -2.65906648e-04 7.18097564e-06] [-2.53475727e-04 2.65906648e-04 7.18097572e-06] [ 2.53475726e-04 2.65906648e-04 -7.18097591e-06] [-2.53475727e-04 -2.65906648e-04 -7.18097595e-06] [ 2.53475727e-04 -2.65906648e-04 -7.18097588e-06] [-2.53475727e-04 2.65906648e-04 -7.18097597e-06] [-2.53475727e-04 -2.65906648e-04 7.18097583e-06] [ 2.53475726e-04 2.65906648e-04 7.18097573e-06] [ 2.53475726e-04 -2.65906648e-04 7.18097570e-06] [-2.53475726e-04 2.65906648e-04 7.18097562e-06] [ 2.53475727e-04 2.65906648e-04 -7.18097597e-06] [-2.53475727e-04 -2.65906648e-04 -7.18097601e-06] [ 1.17877930e-13 -3.54660745e-13 3.49165141e-14] [-5.42417673e-14 -7.55925905e-14 2.94561368e-14] [ 2.01394457e-13 4.61249774e-04 -3.67001748e-04] [ 2.03356429e-13 -4.61249774e-04 -3.67001748e-04] [ 2.35027275e-13 4.61249774e-04 3.67001748e-04] [ 6.09477746e-14 -4.61249773e-04 3.67001748e-04] [-4.98497433e-04 -1.94955163e-13 3.28502707e-04] [-4.98497433e-04 -3.68174241e-13 -3.28502707e-04] [ 4.98497433e-04 -2.53954843e-13 3.28502707e-04] [ 4.98497433e-04 -2.15376328e-13 -3.28502707e-04] [-8.52534768e-04 8.02702934e-04 -6.92779167e-14] [ 8.52534768e-04 8.02702934e-04 6.97879254e-15] [-8.52534768e-04 -8.02702933e-04 -1.64833425e-14] [ 8.52534768e-04 -8.02702934e-04 1.23380473e-13] [-1.08488305e-13 4.61249774e-04 -3.67001748e-04] [-1.02960175e-14 -4.61249774e-04 -3.67001748e-04] [ 5.12458999e-14 4.61249774e-04 3.67001748e-04] [ 3.94298309e-14 -4.61249774e-04 3.67001748e-04] [-4.98497433e-04 -9.51872193e-14 3.28502707e-04] [-4.98497433e-04 2.41633970e-14 -3.28502707e-04] [ 4.98497432e-04 -1.93537894e-13 3.28502707e-04] [ 4.98497433e-04 -8.22918123e-14 -3.28502707e-04] [-8.52534768e-04 8.02702934e-04 8.74224653e-14] [ 8.52534768e-04 8.02702933e-04 7.28051788e-14] [-8.52534768e-04 -8.02702934e-04 -2.84102474e-14] [ 8.52534767e-04 -8.02702933e-04 -6.63965410e-14]] Final stress: [-2.98739741e-05 3.05122220e-05 3.06016544e-07 -1.99503669e-17 -1.14714610e-16 1.82878364e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.35698091e-03 -2.57029207e-13 1.52727223e-13] [ 2.35698091e-03 -1.59761093e-13 1.90597538e-13] [ 8.38253078e-14 2.46061757e-03 5.24840588e-14] [ 1.40165657e-13 -2.46061757e-03 9.18154441e-14] [ 7.37235793e-14 -1.97971847e-13 5.18468908e-05] [ 1.21236354e-13 -2.44859688e-13 -5.18468905e-05] [-2.35698091e-03 8.65917581e-14 -8.74851407e-14] [ 2.35698091e-03 1.79461480e-14 -1.58670315e-15] [-2.88389104e-14 2.46061757e-03 -6.84570039e-14] [-6.12782394e-14 -2.46061757e-03 -3.31547390e-14] [-2.77204475e-14 1.12793455e-13 5.18468905e-05] [-6.11889012e-14 3.56820059e-14 -5.18468906e-05] [-2.65906649e-04 2.53475727e-04 -7.18097585e-06] [ 2.65906649e-04 -2.53475727e-04 -7.18097586e-06] [ 2.65906649e-04 2.53475727e-04 7.18097595e-06] [-2.65906649e-04 -2.53475727e-04 7.18097601e-06] [-2.65906649e-04 2.53475727e-04 7.18097580e-06] [ 2.65906649e-04 -2.53475727e-04 7.18097574e-06] [-2.65906649e-04 -2.53475727e-04 -7.18097601e-06] [ 2.65906649e-04 2.53475727e-04 -7.18097594e-06] [-2.65906649e-04 2.53475727e-04 -7.18097597e-06] [ 2.65906649e-04 -2.53475727e-04 -7.18097599e-06] [ 2.65906649e-04 2.53475727e-04 7.18097584e-06] [-2.65906649e-04 -2.53475727e-04 7.18097571e-06] [-2.65906649e-04 2.53475727e-04 7.18097582e-06] [ 2.65906649e-04 -2.53475727e-04 7.18097570e-06] [-2.65906649e-04 -2.53475727e-04 -7.18097604e-06] [ 2.65906649e-04 2.53475727e-04 -7.18097597e-06] [-2.37865283e-14 -1.79051218e-13 -5.79813975e-14] [-8.39163808e-14 -2.20929471e-15 1.27113609e-14] [ 1.18904886e-13 -4.98497439e-04 3.28502712e-04] [ 1.52128310e-13 4.98497438e-04 3.28502712e-04] [-1.32610936e-13 -4.98497439e-04 -3.28502712e-04] [ 5.96449973e-14 4.98497439e-04 -3.28502712e-04] [ 4.61249780e-04 -3.07198711e-13 -3.67001752e-04] [ 4.61249779e-04 -3.17749299e-13 3.67001752e-04] [-4.61249780e-04 -3.50610166e-13 -3.67001753e-04] [-4.61249780e-04 -3.84017471e-13 3.67001753e-04] [ 8.02702944e-04 -8.52534779e-04 7.60502772e-14] [-8.02702944e-04 -8.52534779e-04 1.25774391e-13] [ 8.02702944e-04 8.52534779e-04 5.97247946e-14] [-8.02702944e-04 8.52534779e-04 2.38956424e-13] [-1.91110149e-14 -4.98497439e-04 3.28502712e-04] [ 2.34747118e-14 4.98497439e-04 3.28502712e-04] [ 3.73360197e-14 -4.98497439e-04 -3.28502712e-04] [-2.31464153e-14 4.98497440e-04 -3.28502713e-04] [ 4.61249780e-04 -6.93583675e-14 -3.67001753e-04] [ 4.61249780e-04 1.16654299e-13 3.67001753e-04] [-4.61249780e-04 -1.25640817e-13 -3.67001752e-04] [-4.61249780e-04 -5.15126136e-15 3.67001753e-04] [ 8.02702944e-04 -8.52534779e-04 1.39385346e-13] [-8.02702944e-04 -8.52534778e-04 1.85774383e-13] [ 8.02702944e-04 8.52534779e-04 -9.97527324e-15] [-8.02702944e-04 8.52534779e-04 4.81776077e-15]] Final stress: [ 3.05122221e-05 -2.98739741e-05 3.06016544e-07 9.97518347e-18 -1.56277874e-16 1.36327507e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.13036872e-04 2.46492497e-13 -4.55711857e-14] [ 5.13036872e-04 1.75276460e-13 9.54791801e-15] [ 1.46693855e-13 -5.13036872e-04 -1.45329929e-13] [ 3.36036754e-13 5.13036872e-04 -2.83717494e-13] [ 1.44801705e-13 3.17888077e-15 1.11205255e-04] [ 2.57766031e-13 2.31176189e-13 -1.11205255e-04] [-5.13036872e-04 -2.90310311e-14 -2.71931534e-14] [ 5.13036872e-04 2.96941291e-14 -8.70816104e-14] [ 3.58966329e-14 -5.13036872e-04 -1.03121701e-13] [-1.51476054e-13 5.13036872e-04 1.11445226e-13] [ 1.31023664e-14 5.18865250e-14 1.11205254e-04] [-7.08235554e-14 -7.09730221e-14 -1.11205255e-04] [-4.77095821e-05 -4.77095822e-05 -3.00115388e-04] [ 4.77095821e-05 4.77095823e-05 -3.00115388e-04] [ 4.77095819e-05 -4.77095823e-05 3.00115388e-04] [-4.77095820e-05 4.77095820e-05 3.00115388e-04] [-4.77095821e-05 -4.77095824e-05 3.00115388e-04] [ 4.77095820e-05 4.77095821e-05 3.00115388e-04] [-4.77095820e-05 4.77095820e-05 -3.00115388e-04] [ 4.77095825e-05 -4.77095822e-05 -3.00115389e-04] [-4.77095826e-05 -4.77095826e-05 -3.00115388e-04] [ 4.77095821e-05 4.77095821e-05 -3.00115388e-04] [ 4.77095821e-05 -4.77095824e-05 3.00115388e-04] [-4.77095826e-05 4.77095822e-05 3.00115388e-04] [-4.77095827e-05 -4.77095821e-05 3.00115388e-04] [ 4.77095820e-05 4.77095820e-05 3.00115388e-04] [-4.77095825e-05 4.77095820e-05 -3.00115388e-04] [ 4.77095821e-05 -4.77095826e-05 -3.00115388e-04] [ 2.95791169e-13 6.61887212e-13 3.01841885e-13] [-5.23903837e-14 5.29362630e-13 2.75371051e-13] [ 2.28372876e-13 -1.91250516e-04 -2.77483135e-07] [ 1.92913394e-13 1.91250516e-04 -2.77484149e-07] [ 4.38498196e-13 -1.91250517e-04 2.77482957e-07] [ 4.90874702e-14 1.91250517e-04 2.77483056e-07] [-1.91250517e-04 4.77395901e-15 -2.77482549e-07] [-1.91250516e-04 -4.52688234e-13 2.77482990e-07] [ 1.91250517e-04 1.99985861e-13 -2.77483223e-07] [ 1.91250517e-04 6.43773229e-14 2.77482731e-07] [ 7.41976307e-05 7.41976287e-05 -1.54098956e-13] [-7.41976306e-05 7.41976288e-05 -1.41137102e-13] [ 7.41976310e-05 -7.41976283e-05 1.69390543e-13] [-7.41976303e-05 -7.41976287e-05 -1.13554999e-14] [-3.73703238e-13 -1.91250517e-04 -2.77482498e-07] [-1.02803183e-13 1.91250517e-04 -2.77482421e-07] [-6.91404399e-14 -1.91250517e-04 2.77482001e-07] [ 2.51248675e-14 1.91250517e-04 2.77482265e-07] [-1.91250516e-04 1.86601132e-13 -2.77483258e-07] [-1.91250516e-04 4.21926166e-13 2.77484115e-07] [ 1.91250516e-04 -4.33356476e-13 -2.77483648e-07] [ 1.91250515e-04 2.90732282e-13 2.77484338e-07] [ 7.41976292e-05 7.41976295e-05 5.85016464e-13] [-7.41976290e-05 7.41976297e-05 1.44059217e-13] [ 7.41976294e-05 -7.41976291e-05 2.84395954e-13] [-7.41976298e-05 -7.41976290e-05 -2.94907761e-13]] Final stress: [-7.57637030e-06 -7.57637030e-06 -3.90008474e-05 -1.56290084e-16 -6.15184373e-17 5.98557769e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.81018931e-04 9.35939694e-14 -1.04552651e-13] [-3.81018931e-04 5.15421039e-14 -2.22322161e-13] [-6.78550098e-14 -2.47265924e-04 -8.42980200e-14] [ 5.72597525e-14 2.47265924e-04 -1.92013072e-13] [-1.75030563e-13 2.16068483e-14 3.81018931e-04] [-1.45494727e-13 1.38056233e-13 -3.81018931e-04] [ 3.81018931e-04 -6.02460790e-14 1.68759307e-13] [-3.81018930e-04 -3.04357234e-15 3.82182010e-14] [ 1.94787762e-14 -2.47265924e-04 4.17567372e-14] [-7.08474078e-14 2.47265925e-04 1.09688478e-13] [ 7.25730240e-14 1.33271032e-14 3.81018931e-04] [ 8.19045352e-14 -4.80073101e-14 -3.81018931e-04] [ 7.35814149e-05 3.05603079e-04 7.35814148e-05] [-7.35814150e-05 -3.05603079e-04 7.35814148e-05] [-7.35814150e-05 3.05603080e-04 -7.35814151e-05] [ 7.35814150e-05 -3.05603079e-04 -7.35814152e-05] [ 7.35814150e-05 3.05603079e-04 -7.35814153e-05] [-7.35814150e-05 -3.05603079e-04 -7.35814150e-05] [ 7.35814149e-05 -3.05603079e-04 7.35814149e-05] [-7.35814149e-05 3.05603080e-04 7.35814146e-05] [ 7.35814151e-05 3.05603079e-04 7.35814151e-05] [-7.35814147e-05 -3.05603079e-04 7.35814151e-05] [-7.35814147e-05 3.05603079e-04 -7.35814148e-05] [ 7.35814151e-05 -3.05603079e-04 -7.35814147e-05] [ 7.35814151e-05 3.05603080e-04 -7.35814146e-05] [-7.35814147e-05 -3.05603079e-04 -7.35814147e-05] [ 7.35814151e-05 -3.05603079e-04 7.35814150e-05] [-7.35814148e-05 3.05603079e-04 7.35814151e-05] [-4.63656891e-13 -1.95982119e-13 -2.09082751e-13] [-2.46286498e-13 -7.90425209e-14 3.51661720e-13] [-4.38649117e-13 3.01964150e-04 -1.59997291e-06] [-6.17894624e-13 -3.01964149e-04 -1.59997279e-06] [ 1.72074160e-13 3.01964150e-04 1.59997322e-06] [-2.72958739e-13 -3.01964149e-04 1.59997237e-06] [-2.99770677e-05 -1.67754699e-13 -2.99770679e-05] [-2.99770676e-05 -2.81410312e-13 2.99770678e-05] [ 2.99770676e-05 -6.29375024e-14 -2.99770677e-05] [ 2.99770685e-05 6.31560776e-14 2.99770667e-05] [-1.59997349e-06 3.01964150e-04 -2.03614903e-13] [ 1.59997305e-06 3.01964150e-04 -2.54442301e-13] [-1.59997353e-06 -3.01964150e-04 -3.14245158e-14] [ 1.59997309e-06 -3.01964150e-04 -4.39362088e-13] [-3.62344703e-13 3.01964149e-04 -1.59997291e-06] [-3.29151637e-13 -3.01964150e-04 -1.59997274e-06] [ 4.45611430e-14 3.01964150e-04 1.59997372e-06] [ 5.03499152e-14 -3.01964150e-04 1.59997325e-06] [-2.99770681e-05 -1.34396862e-13 -2.99770675e-05] [-2.99770677e-05 -1.19995160e-14 2.99770682e-05] [ 2.99770681e-05 -6.30079322e-13 -2.99770672e-05] [ 2.99770687e-05 1.46649186e-14 2.99770667e-05] [-1.59997314e-06 3.01964150e-04 3.88357173e-13] [ 1.59997319e-06 3.01964150e-04 2.74167858e-13] [-1.59997351e-06 -3.01964150e-04 6.97982118e-14] [ 1.59997309e-06 -3.01964150e-04 -7.74315508e-14]] Final stress: [6.56956031e-06 3.66548415e-05 6.56956030e-06 4.15600174e-17 1.97825683e-16 1.99488084e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.46061757e-03 -6.46145464e-14 1.66828790e-13] [-2.46061757e-03 -1.08135723e-13 8.11573031e-14] [ 1.65208125e-13 5.18468905e-05 4.56045791e-14] [ 1.06054054e-13 -5.18468903e-05 1.44551038e-13] [ 1.08324374e-13 2.27404900e-14 -2.35698091e-03] [ 1.63952185e-13 -1.11605170e-13 2.35698091e-03] [ 2.46061757e-03 -6.97198375e-14 -5.51439920e-14] [-2.46061757e-03 -4.00100959e-14 -4.34148717e-14] [-1.88529747e-14 5.18468906e-05 -7.14820064e-14] [ 8.02279250e-14 -5.18468908e-05 -7.95157338e-14] [ 1.80138023e-14 -1.55131083e-14 -2.35698091e-03] [-6.22973895e-14 3.36759784e-14 2.35698091e-03] [ 2.53475727e-04 -7.18097581e-06 -2.65906648e-04] [-2.53475727e-04 7.18097572e-06 -2.65906648e-04] [-2.53475727e-04 -7.18097575e-06 2.65906649e-04] [ 2.53475727e-04 7.18097609e-06 2.65906649e-04] [ 2.53475727e-04 -7.18097569e-06 2.65906648e-04] [-2.53475727e-04 7.18097576e-06 2.65906648e-04] [ 2.53475727e-04 7.18097565e-06 -2.65906649e-04] [-2.53475727e-04 -7.18097572e-06 -2.65906649e-04] [ 2.53475727e-04 -7.18097583e-06 -2.65906648e-04] [-2.53475727e-04 7.18097583e-06 -2.65906648e-04] [-2.53475727e-04 -7.18097578e-06 2.65906648e-04] [ 2.53475727e-04 7.18097582e-06 2.65906648e-04] [ 2.53475727e-04 -7.18097585e-06 2.65906648e-04] [-2.53475727e-04 7.18097583e-06 2.65906648e-04] [ 2.53475727e-04 7.18097583e-06 -2.65906648e-04] [-2.53475727e-04 -7.18097577e-06 -2.65906649e-04] [ 1.03972386e-13 -1.21125332e-13 2.05391260e-14] [-1.98860026e-14 1.45067785e-14 -9.06053975e-14] [-1.70974346e-14 -3.67001750e-04 4.61249776e-04] [ 9.77377901e-14 3.67001750e-04 4.61249776e-04] [-4.65027322e-14 -3.67001749e-04 -4.61249776e-04] [-4.64420169e-14 3.67001750e-04 -4.61249776e-04] [-8.52534773e-04 -7.74935671e-14 8.02702939e-04] [-8.52534773e-04 -6.82561646e-14 -8.02702939e-04] [ 8.52534772e-04 -4.39946690e-13 8.02702938e-04] [ 8.52534772e-04 -1.62338892e-13 -8.02702938e-04] [-4.98497435e-04 3.28502709e-04 1.44662060e-13] [ 4.98497436e-04 3.28502709e-04 1.64391070e-13] [-4.98497435e-04 -3.28502709e-04 3.58220398e-15] [ 4.98497435e-04 -3.28502709e-04 1.83150370e-13] [-3.39611152e-14 -3.67001750e-04 4.61249777e-04] [ 9.61687327e-15 3.67001750e-04 4.61249776e-04] [ 8.17141493e-14 -3.67001750e-04 -4.61249777e-04] [-9.71054834e-15 3.67001750e-04 -4.61249777e-04] [-8.52534772e-04 -2.08702634e-13 8.02702938e-04] [-8.52534772e-04 -1.94182344e-13 -8.02702938e-04] [ 8.52534772e-04 -1.88719700e-13 8.02702938e-04] [ 8.52534772e-04 -1.21987923e-13 -8.02702938e-04] [-4.98497435e-04 3.28502709e-04 2.56188148e-15] [ 4.98497436e-04 3.28502710e-04 -2.91785740e-14] [-4.98497435e-04 -3.28502709e-04 3.30114286e-14] [ 4.98497436e-04 -3.28502710e-04 -1.13607474e-13]] Final stress: [-2.98739741e-05 3.06016544e-07 3.05122220e-05 7.64764066e-17 6.31761620e-17 1.26352324e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.35698091e-03 -7.91792847e-14 5.67796678e-14] [ 2.35698091e-03 -3.49165141e-14 -2.96984659e-15] [ 1.56227895e-13 5.18468906e-05 5.45900131e-14] [ 1.90736316e-13 -5.18468903e-05 8.16013923e-15] [ 1.43349308e-13 -3.93409263e-14 2.46061757e-03] [ 1.18072219e-13 -5.60662627e-14 -2.46061757e-03] [-2.35698091e-03 2.85878092e-14 -3.29285661e-14] [ 2.35698091e-03 -2.71410498e-14 3.74676317e-14] [-1.29952472e-13 5.18468907e-05 -1.25660383e-14] [-6.20957279e-14 -5.18468908e-05 2.65757345e-14] [-8.71620484e-14 7.59832819e-14 2.46061757e-03] [-1.45928408e-13 1.04659173e-13 -2.46061757e-03] [-2.65906649e-04 -7.18097577e-06 2.53475727e-04] [ 2.65906649e-04 7.18097569e-06 2.53475727e-04] [ 2.65906649e-04 -7.18097572e-06 -2.53475727e-04] [-2.65906649e-04 7.18097583e-06 -2.53475727e-04] [-2.65906649e-04 -7.18097581e-06 -2.53475727e-04] [ 2.65906649e-04 7.18097577e-06 -2.53475727e-04] [-2.65906649e-04 7.18097569e-06 2.53475727e-04] [ 2.65906649e-04 -7.18097569e-06 2.53475727e-04] [-2.65906649e-04 -7.18097575e-06 2.53475727e-04] [ 2.65906649e-04 7.18097583e-06 2.53475727e-04] [ 2.65906649e-04 -7.18097574e-06 -2.53475727e-04] [-2.65906649e-04 7.18097580e-06 -2.53475727e-04] [-2.65906649e-04 -7.18097577e-06 -2.53475727e-04] [ 2.65906649e-04 7.18097583e-06 -2.53475727e-04] [-2.65906649e-04 7.18097582e-06 2.53475727e-04] [ 2.65906649e-04 -7.18097565e-06 2.53475727e-04] [-7.23032745e-14 -2.24292807e-13 8.20732371e-14] [-1.34051624e-13 3.59136238e-14 -7.02700532e-14] [-7.72715225e-14 3.28502711e-04 -4.98497438e-04] [-8.69877087e-14 -3.28502711e-04 -4.98497438e-04] [ 1.40998324e-13 3.28502711e-04 4.98497438e-04] [ 3.83547361e-14 -3.28502711e-04 4.98497438e-04] [ 8.02702942e-04 -1.92290628e-13 -8.52534776e-04] [ 8.02702942e-04 -2.64522779e-13 8.52534776e-04] [-8.02702943e-04 -1.77002510e-13 -8.52534777e-04] [-8.02702942e-04 -2.31835384e-13 8.52534777e-04] [ 4.61249778e-04 -3.67001751e-04 4.88498131e-15] [-4.61249778e-04 -3.67001752e-04 -1.62283381e-13] [ 4.61249778e-04 3.67001751e-04 1.19373261e-13] [-4.61249778e-04 3.67001752e-04 -1.94788630e-13] [ 8.98846969e-15 3.28502711e-04 -4.98497438e-04] [ 1.64187240e-14 -3.28502711e-04 -4.98497438e-04] [ 1.29657569e-14 3.28502711e-04 4.98497438e-04] [ 3.83881295e-14 -3.28502711e-04 4.98497438e-04] [ 8.02702942e-04 -1.03371853e-13 -8.52534776e-04] [ 8.02702942e-04 -1.73653843e-13 8.52534777e-04] [-8.02702943e-04 -1.95419635e-13 -8.52534776e-04] [-8.02702942e-04 -1.96625702e-13 8.52534776e-04] [ 4.61249779e-04 -3.67001752e-04 6.25041461e-14] [-4.61249779e-04 -3.67001752e-04 -4.37883846e-15] [ 4.61249779e-04 3.67001752e-04 5.62126504e-14] [-4.61249779e-04 3.67001752e-04 3.04227130e-15]] Final stress: [ 3.05122220e-05 3.06016545e-07 -2.98739741e-05 -3.32506116e-18 1.01414365e-16 -3.32506116e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.84074595e-04 -2.39127294e-14 -6.19122809e-15] [ 4.84074595e-04 8.79851747e-15 7.09710068e-14] [ 1.05222255e-13 1.38014924e-04 1.32491674e-13] [-5.22915045e-14 -1.38014924e-04 8.49598170e-14] [ 2.74073299e-14 -5.76869282e-14 -4.84074595e-04] [-3.61377595e-14 6.35325126e-14 4.84074595e-04] [-4.84074595e-04 1.12390566e-13 1.70949520e-13] [ 4.84074595e-04 2.58209253e-14 4.04268926e-14] [ 2.01271291e-14 1.38014924e-04 -2.24979209e-14] [ 9.28371963e-14 -1.38014924e-04 1.19691596e-13] [ 5.39455633e-14 1.39545702e-13 -4.84074595e-04] [ 1.33388960e-13 -1.25009378e-13 4.84074595e-04] [-5.42364285e-05 -3.01824604e-04 -5.42364288e-05] [ 5.42364285e-05 3.01824604e-04 -5.42364286e-05] [ 5.42364285e-05 -3.01824604e-04 5.42364284e-05] [-5.42364287e-05 3.01824604e-04 5.42364286e-05] [-5.42364287e-05 -3.01824604e-04 5.42364286e-05] [ 5.42364286e-05 3.01824604e-04 5.42364284e-05] [-5.42364287e-05 3.01824604e-04 -5.42364287e-05] [ 5.42364283e-05 -3.01824604e-04 -5.42364288e-05] [-5.42364287e-05 -3.01824604e-04 -5.42364290e-05] [ 5.42364285e-05 3.01824604e-04 -5.42364288e-05] [ 5.42364285e-05 -3.01824604e-04 5.42364284e-05] [-5.42364288e-05 3.01824604e-04 5.42364285e-05] [-5.42364288e-05 -3.01824604e-04 5.42364286e-05] [ 5.42364283e-05 3.01824604e-04 5.42364284e-05] [-5.42364288e-05 3.01824604e-04 -5.42364293e-05] [ 5.42364285e-05 -3.01824604e-04 -5.42364290e-05] [ 4.86916063e-13 -1.29063427e-13 5.76372283e-13] [ 3.69871234e-13 -2.07401024e-13 2.28384975e-13] [-3.37396777e-13 -7.45448736e-05 -1.48104238e-04] [-3.87868557e-13 7.45448732e-05 -1.48104238e-04] [-4.68403094e-13 -7.45448735e-05 1.48104238e-04] [-3.35894507e-13 7.45448736e-05 1.48104238e-04] [ 6.33778004e-05 2.72226686e-13 6.33778004e-05] [ 6.33777999e-05 -1.54315796e-13 -6.33778006e-05] [-6.33778009e-05 -1.41067713e-14 6.33777994e-05] [-6.33778002e-05 -1.97841743e-13 -6.33777997e-05] [-1.48104239e-04 -7.45448729e-05 -2.55351296e-15] [ 1.48104239e-04 -7.45448732e-05 -3.23525928e-15] [-1.48104239e-04 7.45448732e-05 4.55042254e-13] [ 1.48104238e-04 7.45448741e-05 1.29696601e-13] [ 3.71780298e-13 -7.45448734e-05 -1.48104238e-04] [ 1.28138819e-13 7.45448729e-05 -1.48104239e-04] [ 3.02718788e-13 -7.45448735e-05 1.48104238e-04] [-9.15396231e-14 7.45448728e-05 1.48104239e-04] [ 6.33778004e-05 -4.73664565e-13 6.33777998e-05] [ 6.33778003e-05 -2.57387644e-13 -6.33777998e-05] [-6.33777994e-05 -2.15751896e-13 6.33778006e-05] [-6.33777993e-05 2.50360063e-13 -6.33778005e-05] [-1.48104238e-04 -7.45448739e-05 3.24644120e-13] [ 1.48104239e-04 -7.45448730e-05 3.51311306e-13] [-1.48104238e-04 7.45448739e-05 1.33470675e-14] [ 1.48104239e-04 7.45448732e-05 -1.89561474e-13]] Final stress: [-7.37222239e-06 -3.84266372e-05 -7.37222239e-06 3.15905489e-17 8.64583443e-17 1.92868614e-16] Minimization converged after 33 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.89829698e-04 -2.70660230e-14 -7.38124839e-15] [-4.89829698e-04 -1.68753900e-14 -5.03763697e-14] [ 1.08450141e-13 3.65188500e-05 3.82851537e-05] [ 5.71764858e-14 -3.65188496e-05 -3.82851537e-05] [-1.03380846e-14 3.82851538e-05 3.65188498e-05] [ 8.11850587e-14 -3.82851538e-05 -3.65188498e-05] [ 4.89829699e-04 6.69169581e-15 3.77833949e-15] [-4.89829699e-04 4.78180863e-14 6.02829484e-14] [-8.43470259e-14 3.65188501e-05 3.82851538e-05] [-8.75584327e-14 -3.65188499e-05 -3.82851537e-05] [-4.11571818e-14 3.82851538e-05 3.65188501e-05] [-8.39306923e-14 -3.82851536e-05 -3.65188499e-05] [-4.14260400e-04 1.65091347e-04 1.65091347e-04] [-2.56481028e-04 -1.37735784e-04 1.37735784e-04] [-2.56481028e-04 1.37735784e-04 -1.37735784e-04] [-4.14260400e-04 -1.65091347e-04 -1.65091347e-04] [ 2.56481028e-04 1.37735784e-04 -1.37735784e-04] [ 4.14260400e-04 -1.65091347e-04 -1.65091347e-04] [ 2.56481028e-04 -1.37735784e-04 1.37735784e-04] [ 4.14260400e-04 1.65091347e-04 1.65091347e-04] [-4.14260400e-04 1.65091347e-04 1.65091347e-04] [-2.56481028e-04 -1.37735784e-04 1.37735784e-04] [-2.56481028e-04 1.37735784e-04 -1.37735784e-04] [-4.14260400e-04 -1.65091347e-04 -1.65091347e-04] [ 2.56481028e-04 1.37735784e-04 -1.37735784e-04] [ 4.14260400e-04 -1.65091347e-04 -1.65091347e-04] [ 2.56481028e-04 -1.37735784e-04 1.37735784e-04] [ 4.14260400e-04 1.65091347e-04 1.65091347e-04] [-1.42719170e-13 -5.50753887e-13 -1.63036251e-13] [-2.15921031e-13 -4.17912233e-14 -1.58861802e-13] [ 8.50430837e-14 -1.29211587e-04 -1.29211587e-04] [ 4.42198361e-14 -6.05710439e-04 6.05710440e-04] [ 9.80326931e-14 6.05710440e-04 -6.05710440e-04] [-1.26149091e-13 1.29211587e-04 1.29211587e-04] [ 3.26398551e-05 -3.32703245e-04 4.58124086e-05] [ 3.26398551e-05 3.32703244e-04 -4.58124087e-05] [-3.26398555e-05 -3.32703245e-04 4.58124081e-05] [-3.26398550e-05 3.32703244e-04 -4.58124086e-05] [ 3.26398549e-05 4.58124088e-05 -3.32703244e-04] [-3.26398546e-05 4.58124091e-05 -3.32703245e-04] [ 3.26398544e-05 -4.58124094e-05 3.32703244e-04] [-3.26398542e-05 -4.58124096e-05 3.32703244e-04] [-1.07558060e-13 -1.29211587e-04 -1.29211588e-04] [-9.16450076e-14 -6.05710440e-04 6.05710440e-04] [ 1.23821960e-13 6.05710441e-04 -6.05710439e-04] [ 7.47383926e-14 1.29211587e-04 1.29211587e-04] [ 3.26398547e-05 -3.32703245e-04 4.58124092e-05] [ 3.26398544e-05 3.32703244e-04 -4.58124094e-05] [-3.26398551e-05 -3.32703244e-04 4.58124090e-05] [-3.26398549e-05 3.32703244e-04 -4.58124092e-05] [ 3.26398554e-05 4.58124085e-05 -3.32703244e-04] [-3.26398551e-05 4.58124088e-05 -3.32703245e-04] [ 3.26398551e-05 -4.58124087e-05 3.32703245e-04] [-3.26398552e-05 -4.58124087e-05 3.32703244e-04]] Final stress: [-1.26671780e-05 1.63311758e-05 1.63311758e-05 -1.77058296e-05 -4.98739691e-18 1.01410404e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.73228753e-04 -3.06130989e-14 -2.44010541e-14] [ 4.73228753e-04 -1.73749903e-14 -3.16968674e-14] [ 4.56483809e-14 -4.98841864e-07 -1.07133353e-04] [ 1.22679644e-13 4.98841555e-07 1.07133354e-04] [ 1.06275232e-13 -1.07133354e-04 -4.98841977e-07] [ 8.62920846e-14 1.07133353e-04 4.98841880e-07] [-4.73228753e-04 6.33603413e-14 8.80269519e-14] [ 4.73228753e-04 -3.90703095e-15 -1.59732570e-14] [-9.90665883e-14 -4.98841768e-07 -1.07133354e-04] [-5.24480633e-14 4.98841812e-07 1.07133353e-04] [-6.15414837e-14 -1.07133353e-04 -4.98841991e-07] [-9.12204340e-14 1.07133354e-04 4.98841766e-07] [ 3.51055960e-04 -1.61299792e-04 -1.61299792e-04] [ 2.14811182e-04 1.52317441e-04 -1.52317441e-04] [ 2.14811182e-04 -1.52317441e-04 1.52317441e-04] [ 3.51055961e-04 1.61299792e-04 1.61299792e-04] [-2.14811182e-04 -1.52317441e-04 1.52317441e-04] [-3.51055960e-04 1.61299792e-04 1.61299792e-04] [-2.14811182e-04 1.52317441e-04 -1.52317441e-04] [-3.51055960e-04 -1.61299792e-04 -1.61299792e-04] [ 3.51055960e-04 -1.61299792e-04 -1.61299792e-04] [ 2.14811182e-04 1.52317441e-04 -1.52317441e-04] [ 2.14811182e-04 -1.52317441e-04 1.52317441e-04] [ 3.51055960e-04 1.61299792e-04 1.61299792e-04] [-2.14811182e-04 -1.52317441e-04 1.52317441e-04] [-3.51055961e-04 1.61299792e-04 1.61299792e-04] [-2.14811182e-04 1.52317441e-04 -1.52317441e-04] [-3.51055960e-04 -1.61299792e-04 -1.61299792e-04] [ 3.70870001e-13 5.06816811e-14 6.73072709e-14] [-2.67945822e-13 4.42598229e-14 6.17629846e-14] [-3.63264974e-13 1.10945072e-04 1.10945070e-04] [ 3.88994392e-14 6.10440751e-04 -6.10440752e-04] [ 1.28126676e-13 -6.10440751e-04 6.10440752e-04] [ 2.43841405e-13 -1.10945072e-04 -1.10945071e-04] [-4.46832668e-05 3.46126932e-04 -6.12598080e-05] [-4.46832670e-05 -3.46126931e-04 6.12598080e-05] [ 4.46832673e-05 3.46126931e-04 -6.12598076e-05] [ 4.46832670e-05 -3.46126931e-04 6.12598081e-05] [-4.46832663e-05 -6.12598084e-05 3.46126932e-04] [ 4.46832662e-05 -6.12598089e-05 3.46126932e-04] [-4.46832661e-05 6.12598088e-05 -3.46126932e-04] [ 4.46832658e-05 6.12598092e-05 -3.46126932e-04] [ 1.39794860e-13 1.10945071e-04 1.10945072e-04] [ 1.20883772e-13 6.10440751e-04 -6.10440752e-04] [ 1.27062857e-13 -6.10440752e-04 6.10440751e-04] [-7.57380270e-14 -1.10945071e-04 -1.10945072e-04] [-4.46832663e-05 3.46126932e-04 -6.12598089e-05] [-4.46832655e-05 -3.46126932e-04 6.12598096e-05] [ 4.46832663e-05 3.46126932e-04 -6.12598087e-05] [ 4.46832658e-05 -3.46126931e-04 6.12598090e-05] [-4.46832672e-05 -6.12598076e-05 3.46126931e-04] [ 4.46832665e-05 -6.12598082e-05 3.46126932e-04] [-4.46832673e-05 6.12598077e-05 -3.46126932e-04] [ 4.46832675e-05 6.12598075e-05 -3.46126931e-04]] Final stress: [ 1.26369384e-05 -1.62867872e-05 -1.62867872e-05 1.69910828e-05 2.01174058e-16 -6.15160343e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.73228758e-04 -3.67423106e-14 4.58014703e-14] [ 4.73228758e-04 -3.85247390e-14 2.17603713e-14] [ 1.67699622e-13 -4.98847323e-07 1.07133336e-04] [ 2.55351296e-14 4.98847499e-07 -1.07133336e-04] [-3.46788570e-14 1.07133336e-04 -4.98847528e-07] [ 1.03167475e-13 -1.07133336e-04 4.98847282e-07] [-4.73228758e-04 7.20127083e-14 -6.25410553e-14] [ 4.73228758e-04 1.03207373e-14 -9.11648187e-14] [-1.03511817e-13 -4.98847156e-07 1.07133336e-04] [-1.96140847e-14 4.98847335e-07 -1.07133336e-04] [-1.55838883e-14 1.07133336e-04 -4.98847433e-07] [-5.89372301e-16 -1.07133336e-04 4.98847254e-07] [-2.14811192e-04 -1.52317437e-04 -1.52317437e-04] [-3.51055974e-04 1.61299796e-04 -1.61299796e-04] [-3.51055975e-04 -1.61299795e-04 1.61299796e-04] [-2.14811192e-04 1.52317437e-04 1.52317437e-04] [ 3.51055975e-04 -1.61299795e-04 1.61299796e-04] [ 2.14811192e-04 1.52317437e-04 1.52317437e-04] [ 3.51055975e-04 1.61299795e-04 -1.61299795e-04] [ 2.14811192e-04 -1.52317437e-04 -1.52317437e-04] [-2.14811192e-04 -1.52317437e-04 -1.52317437e-04] [-3.51055975e-04 1.61299796e-04 -1.61299795e-04] [-3.51055975e-04 -1.61299795e-04 1.61299795e-04] [-2.14811192e-04 1.52317437e-04 1.52317437e-04] [ 3.51055974e-04 -1.61299795e-04 1.61299796e-04] [ 2.14811192e-04 1.52317437e-04 1.52317437e-04] [ 3.51055975e-04 1.61299796e-04 -1.61299795e-04] [ 2.14811192e-04 -1.52317437e-04 -1.52317437e-04] [-1.06581410e-13 -2.66314748e-13 -6.41986464e-14] [-2.09146502e-13 -1.53688194e-13 7.43521861e-16] [-2.76667578e-13 -6.10440748e-04 -6.10440749e-04] [-6.83238188e-14 -1.10945074e-04 1.10945075e-04] [-9.15535009e-14 1.10945075e-04 -1.10945074e-04] [ 8.10358725e-14 6.10440748e-04 6.10440748e-04] [-4.46832775e-05 -3.46126932e-04 -6.12597932e-05] [-4.46832770e-05 3.46126932e-04 6.12597934e-05] [ 4.46832769e-05 -3.46126932e-04 -6.12597938e-05] [ 4.46832773e-05 3.46126932e-04 6.12597933e-05] [-4.46832775e-05 -6.12597931e-05 -3.46126932e-04] [ 4.46832776e-05 -6.12597930e-05 -3.46126932e-04] [-4.46832773e-05 6.12597931e-05 3.46126932e-04] [ 4.46832774e-05 6.12597931e-05 3.46126932e-04] [-4.84525614e-14 -6.10440748e-04 -6.10440749e-04] [ 4.18788268e-14 -1.10945075e-04 1.10945074e-04] [ 1.18747460e-13 1.10945075e-04 -1.10945074e-04] [ 1.27415006e-13 6.10440748e-04 6.10440748e-04] [-4.46832774e-05 -3.46126932e-04 -6.12597931e-05] [-4.46832774e-05 3.46126932e-04 6.12597932e-05] [ 4.46832769e-05 -3.46126932e-04 -6.12597936e-05] [ 4.46832777e-05 3.46126932e-04 6.12597928e-05] [-4.46832771e-05 -6.12597935e-05 -3.46126932e-04] [ 4.46832773e-05 -6.12597933e-05 -3.46126932e-04] [-4.46832772e-05 6.12597932e-05 3.46126932e-04] [ 4.46832774e-05 6.12597929e-05 3.46126932e-04]] Final stress: [ 1.26369384e-05 -1.62867872e-05 -1.62867872e-05 -1.69910830e-05 -1.66259552e-17 1.47971002e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.57833152e-04 9.10382880e-14 -9.44055925e-05] [-4.57833152e-04 1.68476344e-14 9.44055924e-05] [-2.76545280e-14 -4.58804359e-05 7.94932696e-14] [ 1.89015470e-14 4.58804360e-05 6.34770014e-14] [-9.37816388e-05 -5.10771980e-14 -4.49544151e-05] [ 9.37816387e-05 -7.13040738e-14 4.49544151e-05] [ 4.57833152e-04 -2.85557168e-14 -9.44055923e-05] [-4.57833152e-04 -2.59128656e-14 9.44055923e-05] [ 5.00580480e-14 -4.58804359e-05 -8.46980264e-14] [ 2.96511947e-14 4.58804359e-05 -4.44335816e-14] [-9.37816389e-05 1.23763926e-13 -4.49544151e-05] [ 9.37816390e-05 7.24803185e-14 4.49544149e-05] [-8.40397956e-05 4.38128425e-04 1.35078276e-04] [ 3.86029871e-05 1.23092487e-04 1.80787944e-04] [ 8.40397956e-05 4.38128424e-04 -1.35078276e-04] [-3.86029873e-05 1.23092487e-04 -1.80787944e-04] [-3.86029873e-05 -1.23092487e-04 -1.80787944e-04] [ 8.40397953e-05 -4.38128425e-04 -1.35078276e-04] [-8.40397955e-05 -4.38128425e-04 1.35078276e-04] [ 3.86029873e-05 -1.23092487e-04 1.80787944e-04] [-8.40397955e-05 4.38128425e-04 1.35078276e-04] [ 3.86029873e-05 1.23092487e-04 1.80787945e-04] [ 8.40397953e-05 4.38128425e-04 -1.35078276e-04] [-3.86029873e-05 1.23092487e-04 -1.80787944e-04] [-3.86029872e-05 -1.23092487e-04 -1.80787944e-04] [ 8.40397954e-05 -4.38128425e-04 -1.35078276e-04] [-8.40397957e-05 -4.38128425e-04 1.35078276e-04] [ 3.86029873e-05 -1.23092487e-04 1.80787945e-04] [ 3.30652172e-13 -2.40307774e-13 1.55792046e-13] [-1.36102934e-13 4.58010192e-14 1.30726718e-13] [ 3.93191967e-04 2.52781753e-04 2.52840951e-04] [ 3.93191967e-04 -2.52781753e-04 2.52840952e-04] [-3.93191967e-04 2.52781754e-04 -2.52840951e-04] [-3.93191967e-04 -2.52781753e-04 -2.52840952e-04] [ 3.65231190e-04 2.38253861e-13 4.38986883e-04] [-3.21242713e-04 2.11075948e-13 2.48538549e-04] [ 3.21242713e-04 8.56328897e-14 -2.48538549e-04] [-3.65231189e-04 -4.59632332e-14 -4.38986883e-04] [ 2.19622984e-05 9.51339180e-05 3.93349431e-04] [-2.19622981e-05 9.51339186e-05 -3.93349431e-04] [ 2.19622989e-05 -9.51339178e-05 3.93349431e-04] [-2.19622986e-05 -9.51339184e-05 -3.93349430e-04] [ 3.93191967e-04 2.52781752e-04 2.52840952e-04] [ 3.93191967e-04 -2.52781752e-04 2.52840952e-04] [-3.93191967e-04 2.52781753e-04 -2.52840952e-04] [-3.93191967e-04 -2.52781753e-04 -2.52840952e-04] [ 3.65231190e-04 -2.92187983e-13 4.38986882e-04] [-3.21242712e-04 -1.55850593e-13 2.48538549e-04] [ 3.21242712e-04 -2.74876909e-13 -2.48538550e-04] [-3.65231190e-04 -1.73366096e-13 -4.38986882e-04] [ 2.19622979e-05 9.51339188e-05 3.93349430e-04] [-2.19622982e-05 9.51339188e-05 -3.93349430e-04] [ 2.19622976e-05 -9.51339190e-05 3.93349430e-04] [-2.19622972e-05 -9.51339195e-05 -3.93349430e-04]] Final stress: [-1.30150012e-05 1.58912277e-05 1.58963260e-05 1.01410404e-16 1.71550962e-05 -9.80854726e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.64823685e-04 -2.40640841e-14 9.91476199e-05] [-4.64823685e-04 4.02178291e-14 -9.91476196e-05] [ 1.29481495e-13 -2.55345903e-05 -2.43464103e-14] [ 7.27473637e-14 2.55345905e-05 -3.67483821e-14] [ 9.85067816e-05 -1.48847948e-14 -2.46333293e-05] [-9.85067815e-05 -8.99835761e-14 2.46333297e-05] [ 4.64823685e-04 6.21356265e-14 9.91476196e-05] [-4.64823685e-04 1.71741961e-14 -9.91476198e-05] [-1.23753004e-13 -2.55345903e-05 8.88797326e-14] [-7.17963015e-14 2.55345908e-05 4.02687198e-14] [ 9.85067814e-05 -1.31132145e-14 -2.46333296e-05] [-9.85067815e-05 5.61279419e-14 2.46333292e-05] [-5.08617857e-05 -1.27219453e-04 1.71131417e-04] [ 7.97891892e-05 -4.39480872e-04 1.41931761e-04] [ 5.08617855e-05 -1.27219453e-04 -1.71131418e-04] [-7.97891889e-05 -4.39480872e-04 -1.41931761e-04] [-7.97891889e-05 4.39480872e-04 -1.41931761e-04] [ 5.08617856e-05 1.27219453e-04 -1.71131417e-04] [-5.08617857e-05 1.27219453e-04 1.71131417e-04] [ 7.97891891e-05 4.39480872e-04 1.41931761e-04] [-5.08617856e-05 -1.27219453e-04 1.71131417e-04] [ 7.97891889e-05 -4.39480872e-04 1.41931761e-04] [ 5.08617857e-05 -1.27219453e-04 -1.71131418e-04] [-7.97891893e-05 -4.39480872e-04 -1.41931761e-04] [-7.97891892e-05 4.39480872e-04 -1.41931761e-04] [ 5.08617857e-05 1.27219453e-04 -1.71131418e-04] [-5.08617856e-05 1.27219453e-04 1.71131417e-04] [ 7.97891889e-05 4.39480872e-04 1.41931761e-04] [ 2.44138043e-13 -1.80966353e-13 -3.33816308e-13] [-8.76243522e-14 -3.67937910e-13 2.91407107e-13] [-3.72186120e-04 2.50760625e-04 2.50820156e-04] [-3.72186120e-04 -2.50760626e-04 2.50820155e-04] [ 3.72186120e-04 2.50760626e-04 -2.50820155e-04] [ 3.72186120e-04 -2.50760626e-04 -2.50820155e-04] [-3.19735644e-04 -3.37951889e-13 -2.74027869e-04] [ 3.84363331e-04 -1.57871979e-13 -4.31027373e-04] [-3.84363331e-04 -3.93443958e-13 4.31027373e-04] [ 3.19735643e-04 -3.75586715e-13 2.74027870e-04] [ 3.22792763e-05 7.84065942e-05 -3.72323717e-04] [-3.22792760e-05 7.84065943e-05 3.72323718e-04] [ 3.22792761e-05 -7.84065943e-05 -3.72323717e-04] [-3.22792764e-05 -7.84065940e-05 3.72323718e-04] [-3.72186119e-04 2.50760627e-04 2.50820154e-04] [-3.72186120e-04 -2.50760627e-04 2.50820154e-04] [ 3.72186120e-04 2.50760627e-04 -2.50820154e-04] [ 3.72186120e-04 -2.50760626e-04 -2.50820155e-04] [-3.19735644e-04 -3.45443841e-13 -2.74027869e-04] [ 3.84363330e-04 1.61595130e-13 -4.31027374e-04] [-3.84363331e-04 -3.33153644e-14 4.31027374e-04] [ 3.19735645e-04 3.12866920e-13 2.74027868e-04] [ 3.22792768e-05 7.84065937e-05 -3.72323718e-04] [-3.22792767e-05 7.84065939e-05 3.72323718e-04] [ 3.22792776e-05 -7.84065930e-05 -3.72323718e-04] [-3.22792773e-05 -7.84065932e-05 3.72323718e-04]] Final stress: [-1.29779643e-05 1.59662650e-05 1.59714905e-05 6.31736942e-17 -1.70909618e-05 -0.00000000e+00] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.75237810e-04 2.95635912e-14 -9.71754568e-05] [ 4.75237810e-04 1.78579374e-13 9.71754570e-05] [ 7.37261814e-14 -3.59544664e-06 5.51910947e-14] [-5.95079541e-14 3.59544694e-06 2.96707103e-14] [-9.78074119e-05 8.33087939e-14 -2.73066976e-06] [ 9.78074120e-05 3.95794508e-14 2.73066919e-06] [-4.75237810e-04 -2.29386822e-14 -9.71754570e-05] [ 4.75237811e-04 -4.97479662e-14 9.71754569e-05] [-1.91817048e-15 -3.59544651e-06 -1.54230009e-14] [ 8.03085896e-14 3.59544682e-06 4.26710009e-15] [-9.78074118e-05 1.29585928e-14 -2.73066971e-06] [ 9.78074117e-05 2.29496767e-14 2.73066970e-06] [ 6.26741334e-05 1.33157221e-04 -1.63338657e-04] [-7.63161623e-05 4.47220710e-04 -1.49953415e-04] [-6.26741333e-05 1.33157221e-04 1.63338657e-04] [ 7.63161625e-05 4.47220710e-04 1.49953415e-04] [ 7.63161625e-05 -4.47220710e-04 1.49953415e-04] [-6.26741332e-05 -1.33157221e-04 1.63338657e-04] [ 6.26741333e-05 -1.33157221e-04 -1.63338657e-04] [-7.63161624e-05 -4.47220710e-04 -1.49953415e-04] [ 6.26741331e-05 1.33157220e-04 -1.63338657e-04] [-7.63161625e-05 4.47220710e-04 -1.49953415e-04] [-6.26741334e-05 1.33157221e-04 1.63338656e-04] [ 7.63161625e-05 4.47220710e-04 1.49953415e-04] [ 7.63161624e-05 -4.47220710e-04 1.49953415e-04] [-6.26741334e-05 -1.33157221e-04 1.63338657e-04] [ 6.26741329e-05 -1.33157221e-04 -1.63338657e-04] [-7.63161623e-05 -4.47220710e-04 -1.49953415e-04] [ 3.74145159e-14 -9.12603326e-14 5.95051786e-13] [-9.27734885e-13 -3.15174006e-13 -1.47464640e-14] [ 3.46975226e-04 -2.47848982e-04 -2.47793000e-04] [ 3.46975227e-04 2.47848982e-04 -2.47793000e-04] [-3.46975226e-04 -2.47848983e-04 2.47792999e-04] [-3.46975227e-04 2.47848983e-04 2.47792999e-04] [ 3.06756441e-04 -1.39888101e-14 3.09576526e-04] [-4.13650801e-04 -5.11240356e-13 4.09967719e-04] [ 4.13650800e-04 -3.80941806e-13 -4.09967720e-04] [-3.06756441e-04 -6.31873026e-14 -3.09576526e-04] [-5.34802257e-05 -5.02838953e-05 3.46850453e-04] [ 5.34802258e-05 -5.02838954e-05 -3.46850454e-04] [-5.34802262e-05 5.02838947e-05 3.46850453e-04] [ 5.34802261e-05 5.02838951e-05 -3.46850454e-04] [ 3.46975226e-04 -2.47848983e-04 -2.47792999e-04] [ 3.46975226e-04 2.47848983e-04 -2.47792998e-04] [-3.46975226e-04 -2.47848982e-04 2.47792999e-04] [-3.46975226e-04 2.47848983e-04 2.47792999e-04] [ 3.06756441e-04 -1.17681737e-14 3.09576526e-04] [-4.13650800e-04 -1.24828099e-13 4.09967720e-04] [ 4.13650801e-04 -4.17378805e-14 -4.09967719e-04] [-3.06756442e-04 1.94259105e-13 -3.09576525e-04] [-5.34802263e-05 -5.02838951e-05 3.46850455e-04] [ 5.34802268e-05 -5.02838945e-05 -3.46850454e-04] [-5.34802263e-05 5.02838949e-05 3.46850455e-04] [ 5.34802264e-05 5.02838947e-05 -3.46850454e-04]] Final stress: [ 1.26514880e-05 -1.63456532e-05 -1.63405674e-05 2.06161845e-16 1.71070734e-05 -1.23032069e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.58433648e-04 -6.11021650e-14 9.46704985e-05] [ 4.58433648e-04 -8.29614155e-14 -9.46704985e-05] [ 2.81276738e-14 3.69639552e-05 5.58299067e-14] [ 1.16573418e-14 -3.69639550e-05 5.63993297e-14] [ 9.52747095e-05 -7.08634540e-14 3.78729364e-05] [-9.52747094e-05 -8.95117314e-14 -3.78729366e-05] [-4.58433648e-04 2.80457081e-14 9.46704984e-05] [ 4.58433648e-04 6.20497577e-14 -9.46704984e-05] [-4.82266137e-14 3.69639553e-05 -5.43755327e-14] [-7.07272782e-14 -3.69639550e-05 -1.14331550e-14] [ 9.52747094e-05 2.45968640e-14 3.78729365e-05] [-9.52747096e-05 3.76057126e-14 -3.78729366e-05] [ 8.18626254e-05 -4.40348385e-04 -1.38666534e-04] [-4.01365469e-05 -1.20740492e-04 -1.80120904e-04] [-8.18626253e-05 -4.40348385e-04 1.38666534e-04] [ 4.01365469e-05 -1.20740492e-04 1.80120904e-04] [ 4.01365470e-05 1.20740492e-04 1.80120904e-04] [-8.18626252e-05 4.40348385e-04 1.38666534e-04] [ 8.18626253e-05 4.40348385e-04 -1.38666534e-04] [-4.01365469e-05 1.20740492e-04 -1.80120904e-04] [ 8.18626252e-05 -4.40348385e-04 -1.38666534e-04] [-4.01365469e-05 -1.20740492e-04 -1.80120904e-04] [-8.18626254e-05 -4.40348385e-04 1.38666534e-04] [ 4.01365469e-05 -1.20740491e-04 1.80120904e-04] [ 4.01365470e-05 1.20740492e-04 1.80120904e-04] [-8.18626253e-05 4.40348385e-04 1.38666534e-04] [ 8.18626251e-05 4.40348385e-04 -1.38666534e-04] [-4.01365470e-05 1.20740492e-04 -1.80120904e-04] [ 1.43329792e-13 -3.78891363e-13 1.49519286e-13] [ 5.78590995e-14 -2.87313774e-13 8.65823684e-14] [-3.85771887e-04 -2.53546125e-04 -2.53486997e-04] [-3.85771887e-04 2.53546125e-04 -2.53486996e-04] [ 3.85771888e-04 -2.53546125e-04 2.53486997e-04] [ 3.85771888e-04 2.53546125e-04 2.53486996e-04] [-3.65012772e-04 -1.34336986e-14 -4.39166772e-04] [ 3.22563141e-04 -5.62362656e-14 -2.47340250e-04] [-3.22563141e-04 2.01897526e-13 2.47340250e-04] [ 3.65012773e-04 1.81701876e-13 4.39166772e-04] [-2.12509522e-05 -9.59977527e-05 -3.85607633e-04] [ 2.12509527e-05 -9.59977524e-05 3.85607633e-04] [-2.12509515e-05 9.59977531e-05 -3.85607633e-04] [ 2.12509518e-05 9.59977530e-05 3.85607633e-04] [-3.85771888e-04 -2.53546126e-04 -2.53486996e-04] [-3.85771888e-04 2.53546125e-04 -2.53486996e-04] [ 3.85771888e-04 -2.53546126e-04 2.53486996e-04] [ 3.85771888e-04 2.53546125e-04 2.53486997e-04] [-3.65012772e-04 -4.25335656e-13 -4.39166772e-04] [ 3.22563141e-04 -1.21704513e-13 -2.47340250e-04] [-3.22563142e-04 -1.37167621e-13 2.47340250e-04] [ 3.65012772e-04 -1.87687105e-13 4.39166773e-04] [-2.12509524e-05 -9.59977523e-05 -3.85607632e-04] [ 2.12509523e-05 -9.59977525e-05 3.85607633e-04] [-2.12509528e-05 9.59977520e-05 -3.85607632e-04] [ 2.12509522e-05 9.59977526e-05 3.85607633e-04]] Final stress: [ 1.26931288e-05 -1.61526351e-05 -1.61478196e-05 -9.47679448e-17 -1.71600572e-05 -6.15160343e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.59412330e-04 -9.54748233e-05 -3.50552920e-14] [-4.59412330e-04 9.54748232e-05 2.01227923e-14] [-9.48470548e-05 -4.03749378e-05 -5.83439547e-14] [ 9.48470547e-05 4.03749379e-05 1.58761893e-14] [-2.50537438e-14 -3.61620456e-14 -4.12953790e-05] [-5.96744876e-15 -4.97379915e-14 4.12953788e-05] [ 4.59412330e-04 -9.54748231e-05 6.29546330e-15] [-4.59412330e-04 9.54748231e-05 -1.40661584e-14] [-9.48470550e-05 -4.03749377e-05 -5.75034425e-14] [ 9.48470550e-05 4.03749378e-05 -1.63276957e-14] [ 1.43192749e-14 3.32401329e-14 -4.12953789e-05] [-4.50472992e-14 7.09067981e-15 4.12953787e-05] [-8.30824098e-05 1.36623820e-04 4.38436995e-04] [ 8.30824099e-05 -1.36623820e-04 4.38436995e-04] [ 4.13657557e-05 1.78613212e-04 1.24023828e-04] [-4.13657558e-05 -1.78613212e-04 1.24023828e-04] [-8.30824099e-05 1.36623820e-04 -4.38436995e-04] [ 8.30824100e-05 -1.36623820e-04 -4.38436995e-04] [-4.13657556e-05 -1.78613212e-04 -1.24023828e-04] [ 4.13657557e-05 1.78613212e-04 -1.24023828e-04] [-8.30824097e-05 1.36623820e-04 4.38436995e-04] [ 8.30824097e-05 -1.36623820e-04 4.38436995e-04] [ 4.13657558e-05 1.78613212e-04 1.24023828e-04] [-4.13657557e-05 -1.78613212e-04 1.24023828e-04] [-8.30824098e-05 1.36623820e-04 -4.38436996e-04] [ 8.30824098e-05 -1.36623820e-04 -4.38436995e-04] [-4.13657557e-05 -1.78613212e-04 -1.24023828e-04] [ 4.13657558e-05 1.78613212e-04 -1.24023828e-04] [ 1.32671651e-14 6.03961325e-14 1.56097357e-13] [-2.32899637e-14 -2.19742561e-13 9.99955589e-14] [ 3.88461443e-04 2.52387504e-04 2.52328245e-04] [-3.88461443e-04 -2.52387504e-04 2.52328245e-04] [ 3.88461443e-04 2.52387504e-04 -2.52328245e-04] [-3.88461443e-04 -2.52387504e-04 -2.52328245e-04] [ 2.42878778e-05 3.88614422e-04 9.13649642e-05] [ 2.42878780e-05 3.88614422e-04 -9.13649638e-05] [-2.42878781e-05 -3.88614422e-04 9.13649638e-05] [-2.42878785e-05 -3.88614422e-04 -9.13649634e-05] [ 3.69546420e-04 4.37196885e-04 5.15809617e-13] [ 3.20905589e-04 -2.54285164e-04 2.87202553e-13] [-3.20905588e-04 2.54285165e-04 3.25349123e-13] [-3.69546421e-04 -4.37196884e-04 1.65542927e-13] [ 3.88461443e-04 2.52387504e-04 2.52328245e-04] [-3.88461443e-04 -2.52387505e-04 2.52328244e-04] [ 3.88461443e-04 2.52387504e-04 -2.52328245e-04] [-3.88461443e-04 -2.52387504e-04 -2.52328245e-04] [ 2.42878782e-05 3.88614421e-04 9.13649638e-05] [ 2.42878782e-05 3.88614421e-04 -9.13649637e-05] [-2.42878781e-05 -3.88614422e-04 9.13649642e-05] [-2.42878776e-05 -3.88614422e-04 -9.13649645e-05] [ 3.69546420e-04 4.37196884e-04 7.32149143e-14] [ 3.20905588e-04 -2.54285165e-04 7.00638007e-14] [-3.20905587e-04 2.54285165e-04 1.81206968e-13] [-3.69546420e-04 -4.37196885e-04 1.87514500e-13]] Final stress: [-1.30067977e-05 1.59132853e-05 1.59081588e-05 -1.32997251e-16 8.31232819e-18 1.71406359e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.67089091e-04 1.00689296e-04 4.90879039e-14] [-4.67089091e-04 -1.00689296e-04 5.66213743e-14] [ 1.00042988e-04 -1.80204931e-05 -3.15246960e-14] [-1.00042988e-04 1.80204938e-05 4.84612350e-14] [-3.50752413e-14 1.12654677e-13 -1.89136972e-05] [ 3.05866443e-14 8.21009927e-14 1.89136970e-05] [ 4.67089091e-04 1.00689296e-04 2.78819713e-15] [-4.67089091e-04 -1.00689296e-04 -4.68128036e-14] [ 1.00042988e-04 -1.80204933e-05 3.14399374e-14] [-1.00042988e-04 1.80204937e-05 1.44691226e-14] [-4.38104414e-14 -8.01733143e-14 -1.89136974e-05] [-2.41234983e-14 -8.11268037e-14 1.89136971e-05] [-5.48505766e-05 1.67985502e-04 -1.28559225e-04] [ 5.48505767e-05 -1.67985502e-04 -1.28559225e-04] [ 7.84047023e-05 1.44159355e-04 -4.39911627e-04] [-7.84047023e-05 -1.44159355e-04 -4.39911627e-04] [-5.48505765e-05 1.67985502e-04 1.28559225e-04] [ 5.48505766e-05 -1.67985502e-04 1.28559225e-04] [-7.84047023e-05 -1.44159355e-04 4.39911627e-04] [ 7.84047022e-05 1.44159355e-04 4.39911627e-04] [-5.48505767e-05 1.67985502e-04 -1.28559225e-04] [ 5.48505766e-05 -1.67985502e-04 -1.28559225e-04] [ 7.84047023e-05 1.44159355e-04 -4.39911628e-04] [-7.84047022e-05 -1.44159355e-04 -4.39911628e-04] [-5.48505766e-05 1.67985502e-04 1.28559225e-04] [ 5.48505766e-05 -1.67985502e-04 1.28559225e-04] [-7.84047022e-05 -1.44159355e-04 4.39911627e-04] [ 7.84047024e-05 1.44159355e-04 4.39911627e-04] [ 2.55906407e-14 -8.67916850e-14 4.03621581e-13] [-1.53391189e-13 -4.84956246e-13 1.22371394e-13] [-3.65342376e-04 2.50157728e-04 2.50098060e-04] [ 3.65342376e-04 -2.50157728e-04 2.50098060e-04] [-3.65342376e-04 2.50157728e-04 -2.50098060e-04] [ 3.65342376e-04 -2.50157728e-04 -2.50098060e-04] [ 3.56351675e-05 -3.65473531e-04 7.29616117e-05] [ 3.56351673e-05 -3.65473532e-04 -7.29616118e-05] [-3.56351679e-05 3.65473531e-04 7.29616114e-05] [-3.56351673e-05 3.65473531e-04 -7.29616118e-05] [-3.19239014e-04 -2.82316514e-04 -2.48134846e-13] [-3.90580164e-04 4.28427987e-04 -1.28961078e-13] [ 3.90580165e-04 -4.28427986e-04 1.95484254e-13] [ 3.19239013e-04 2.82316515e-04 8.24652846e-14] [-3.65342376e-04 2.50157728e-04 2.50098060e-04] [ 3.65342376e-04 -2.50157728e-04 2.50098060e-04] [-3.65342376e-04 2.50157728e-04 -2.50098060e-04] [ 3.65342376e-04 -2.50157729e-04 -2.50098059e-04] [ 3.56351675e-05 -3.65473532e-04 7.29616119e-05] [ 3.56351677e-05 -3.65473532e-04 -7.29616116e-05] [-3.56351673e-05 3.65473531e-04 7.29616119e-05] [-3.56351673e-05 3.65473531e-04 -7.29616119e-05] [-3.19239014e-04 -2.82316515e-04 1.85307641e-13] [-3.90580164e-04 4.28427987e-04 1.86262481e-13] [ 3.90580165e-04 -4.28427986e-04 1.33281441e-13] [ 3.19239013e-04 2.82316515e-04 -1.00759678e-13]] Final stress: [-1.29655587e-05 1.59958997e-05 1.59906316e-05 -3.15868471e-17 -4.15616409e-17 -1.70701092e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.75880758e-04 -9.48344888e-05 4.44973919e-14] [ 4.75880758e-04 9.48344887e-05 2.09832152e-14] [-9.54648737e-05 -3.33072117e-06 -1.30377480e-14] [ 9.54648739e-05 3.33072136e-06 1.27037270e-13] [-2.94490994e-14 4.71827438e-14 -4.19633030e-06] [-6.02295991e-14 -1.55431223e-13 4.19632999e-06] [-4.75880759e-04 -9.48344887e-05 -5.97443675e-14] [ 4.75880758e-04 9.48344886e-05 -2.69550544e-14] [-9.54648739e-05 -3.33072124e-06 -1.33686308e-14] [ 9.54648738e-05 3.33072114e-06 -1.28949595e-13] [ 8.57040133e-14 7.02390862e-16 -4.19633041e-06] [ 5.20412706e-14 8.36927103e-14 4.19633005e-06] [ 6.23762677e-05 -1.63823662e-04 1.34796273e-04] [-6.23762680e-05 1.63823662e-04 1.34796273e-04] [-7.70714265e-05 -1.49380826e-04 4.48773902e-04] [ 7.70714264e-05 1.49380827e-04 4.48773902e-04] [ 6.23762677e-05 -1.63823662e-04 -1.34796273e-04] [-6.23762679e-05 1.63823662e-04 -1.34796273e-04] [ 7.70714265e-05 1.49380827e-04 -4.48773902e-04] [-7.70714265e-05 -1.49380826e-04 -4.48773902e-04] [ 6.23762678e-05 -1.63823662e-04 1.34796273e-04] [-6.23762679e-05 1.63823662e-04 1.34796273e-04] [-7.70714265e-05 -1.49380826e-04 4.48773901e-04] [ 7.70714263e-05 1.49380826e-04 4.48773902e-04] [ 6.23762679e-05 -1.63823662e-04 -1.34796273e-04] [-6.23762680e-05 1.63823662e-04 -1.34796273e-04] [ 7.70714264e-05 1.49380827e-04 -4.48773902e-04] [-7.70714265e-05 -1.49380826e-04 -4.48773902e-04] [ 3.12083692e-13 -6.13398221e-14 2.07889261e-13] [ 5.58479912e-13 1.49005263e-13 8.40784742e-14] [ 3.47159490e-04 -2.47370925e-04 -2.47426095e-04] [-3.47159489e-04 2.47370926e-04 -2.47426094e-04] [ 3.47159490e-04 -2.47370926e-04 2.47426094e-04] [-3.47159489e-04 2.47370926e-04 2.47426094e-04] [-5.50869655e-05 3.47034128e-04 -4.81462027e-05] [-5.50869659e-05 3.47034129e-04 4.81462023e-05] [ 5.50869652e-05 -3.47034129e-04 -4.81462031e-05] [ 5.50869658e-05 -3.47034128e-04 4.81462028e-05] [ 3.05113715e-04 3.11678458e-04 1.19126931e-13] [ 4.15220594e-04 -4.07794935e-04 2.99229391e-13] [-4.15220594e-04 4.07794934e-04 -1.05707110e-13] [-3.05113715e-04 -3.11678458e-04 2.85899776e-14] [ 3.47159490e-04 -2.47370925e-04 -2.47426095e-04] [-3.47159490e-04 2.47370926e-04 -2.47426094e-04] [ 3.47159490e-04 -2.47370925e-04 2.47426095e-04] [-3.47159490e-04 2.47370926e-04 2.47426094e-04] [-5.50869661e-05 3.47034128e-04 -4.81462022e-05] [-5.50869661e-05 3.47034128e-04 4.81462021e-05] [ 5.50869663e-05 -3.47034128e-04 -4.81462020e-05] [ 5.50869659e-05 -3.47034129e-04 4.81462022e-05] [ 3.05113715e-04 3.11678457e-04 1.30005438e-13] [ 4.15220593e-04 -4.07794936e-04 -5.15553210e-14] [-4.15220593e-04 4.07794935e-04 5.52395318e-13] [-3.05113715e-04 -3.11678457e-04 5.54934137e-13]] Final stress: [ 1.26523232e-05 -1.63520864e-05 -1.63571801e-05 4.48900791e-17 9.14427538e-17 1.71315962e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.08154149e-04 -1.75345977e-05 6.44016090e-15] [ 5.08154149e-04 1.75345978e-05 2.36477504e-14] [-1.69821782e-05 2.28342102e-08 -3.15563548e-14] [ 1.69821783e-05 -2.28341595e-08 -1.52933222e-14] [ 4.43655529e-15 -8.30030489e-14 -9.13900159e-07] [ 7.54951657e-15 -1.56263891e-13 9.13900136e-07] [-5.08154148e-04 -1.75345978e-05 -8.12655427e-15] [ 5.08154149e-04 1.75345977e-05 -2.82582707e-14] [-1.69821782e-05 2.28344013e-08 5.67698169e-14] [ 1.69821781e-05 -2.28336607e-08 3.79397030e-14] [ 3.42204563e-14 7.35389769e-14 -9.13899811e-07] [ 4.82357210e-14 1.20431933e-13 9.13900271e-07] [ 1.19732723e-04 -1.16597553e-04 -5.22347786e-04] [-1.19732723e-04 1.16597553e-04 -5.22347787e-04] [-3.70880791e-05 -1.99217139e-04 -2.05639639e-04] [ 3.70880790e-05 1.99217139e-04 -2.05639639e-04] [ 1.19732723e-04 -1.16597553e-04 5.22347786e-04] [-1.19732723e-04 1.16597554e-04 5.22347787e-04] [ 3.70880791e-05 1.99217138e-04 2.05639639e-04] [-3.70880791e-05 -1.99217139e-04 2.05639639e-04] [ 1.19732723e-04 -1.16597553e-04 -5.22347787e-04] [-1.19732723e-04 1.16597553e-04 -5.22347786e-04] [-3.70880793e-05 -1.99217138e-04 -2.05639639e-04] [ 3.70880790e-05 1.99217138e-04 -2.05639639e-04] [ 1.19732723e-04 -1.16597553e-04 5.22347786e-04] [-1.19732723e-04 1.16597553e-04 5.22347786e-04] [ 3.70880790e-05 1.99217139e-04 2.05639639e-04] [-3.70880792e-05 -1.99217138e-04 2.05639639e-04] [ 9.33142452e-14 -5.88695759e-14 7.22755189e-14] [-8.19678960e-13 -6.67161984e-13 -3.49557292e-13] [-3.84721648e-04 -2.22767637e-04 -2.22756783e-04] [ 3.84721649e-04 2.22767636e-04 -2.22756783e-04] [-3.84721648e-04 -2.22767637e-04 2.22756783e-04] [ 3.84721648e-04 2.22767637e-04 2.22756783e-04] [-2.47909078e-04 -3.84595561e-04 1.53878824e-04] [-2.47909079e-04 -3.84595561e-04 -1.53878824e-04] [ 2.47909078e-04 3.84595561e-04 1.53878823e-04] [ 2.47909079e-04 3.84595561e-04 -1.53878824e-04] [-5.96430612e-04 -1.94373854e-04 -1.26121336e-13] [-1.00744758e-04 5.02240814e-04 -2.99350822e-13] [ 1.00744758e-04 -5.02240814e-04 -1.54175284e-13] [ 5.96430611e-04 1.94373855e-04 -4.12201523e-13] [-3.84721648e-04 -2.22767636e-04 -2.22756783e-04] [ 3.84721648e-04 2.22767636e-04 -2.22756783e-04] [-3.84721648e-04 -2.22767635e-04 2.22756784e-04] [ 3.84721649e-04 2.22767635e-04 2.22756783e-04] [-2.47909080e-04 -3.84595561e-04 1.53878825e-04] [-2.47909079e-04 -3.84595561e-04 -1.53878824e-04] [ 2.47909079e-04 3.84595561e-04 1.53878824e-04] [ 2.47909080e-04 3.84595561e-04 -1.53878825e-04] [-5.96430612e-04 -1.94373854e-04 3.45985719e-13] [-1.00744758e-04 5.02240813e-04 1.24602531e-13] [ 1.00744758e-04 -5.02240813e-04 2.67921224e-13] [ 5.96430611e-04 1.94373855e-04 2.23502206e-13]] Final stress: [ 1.32120716e-05 -1.70315771e-05 -1.70370385e-05 1.06406113e-16 -3.15893149e-17 -1.83355762e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.80777657e-03 -1.15650545e-13 -5.55172228e-14] [-6.80777657e-03 -7.35522754e-15 1.20625732e-13] [ 5.94164475e-14 8.64820671e-03 9.26645913e-14] [ 1.58512092e-13 -8.64820671e-03 -2.35089725e-14] [-4.69997305e-14 -3.86617821e-14 6.80777657e-03] [-1.96231920e-14 -2.25347518e-13 -6.80777657e-03] [ 6.80777657e-03 -4.32796160e-14 2.75444523e-14] [-6.80777657e-03 3.01980663e-14 1.31895203e-13] [-1.40347803e-13 8.64820671e-03 8.22634075e-14] [ 9.42466591e-14 -8.64820671e-03 2.24357883e-14] [-1.79109332e-13 9.01797049e-14 6.80777657e-03] [-9.34196297e-14 -5.70700283e-14 -6.80777657e-03] [ 2.26762159e-03 -1.26509397e-03 2.26762159e-03] [-2.26762159e-03 1.26509397e-03 2.26762159e-03] [-2.26762159e-03 -1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 -1.26509397e-03 -2.26762159e-03] [-2.26762159e-03 1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 1.26509397e-03 2.26762159e-03] [-2.26762159e-03 -1.26509397e-03 2.26762159e-03] [ 2.26762159e-03 -1.26509397e-03 2.26762159e-03] [-2.26762159e-03 1.26509397e-03 2.26762159e-03] [-2.26762159e-03 -1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 -1.26509397e-03 -2.26762159e-03] [-2.26762159e-03 1.26509397e-03 -2.26762159e-03] [ 2.26762159e-03 1.26509397e-03 2.26762159e-03] [-2.26762159e-03 -1.26509397e-03 2.26762159e-03] [ 1.01224584e-13 -2.48745469e-13 -2.64788191e-13] [-1.38423994e-13 1.16088721e-13 -3.13059642e-13] [-2.02060590e-14 1.39733852e-03 2.09092122e-03] [-4.09984546e-14 -1.39733852e-03 2.09092122e-03] [-8.79418066e-14 1.39733852e-03 -2.09092122e-03] [ 1.52369437e-13 -1.39733852e-03 -2.09092122e-03] [ 5.47089461e-03 5.21804822e-15 5.47089461e-03] [ 5.47089461e-03 3.42642581e-14 -5.47089461e-03] [-5.47089461e-03 6.05800132e-14 5.47089461e-03] [-5.47089461e-03 8.67413780e-14 -5.47089461e-03] [ 2.09092122e-03 1.39733852e-03 -4.24660307e-13] [-2.09092122e-03 1.39733852e-03 1.94289029e-16] [ 2.09092122e-03 -1.39733852e-03 -1.50655530e-13] [-2.09092122e-03 -1.39733852e-03 2.16590634e-13] [ 7.46152272e-14 1.39733852e-03 2.09092122e-03] [ 5.80395107e-14 -1.39733852e-03 2.09092122e-03] [-1.32276568e-13 1.39733852e-03 -2.09092122e-03] [-2.35696879e-14 -1.39733852e-03 -2.09092122e-03] [ 5.47089461e-03 -2.07885596e-13 5.47089461e-03] [ 5.47089461e-03 3.27985902e-13 -5.47089461e-03] [-5.47089461e-03 9.17872549e-14 5.47089461e-03] [-5.47089461e-03 -3.64734284e-14 -5.47089461e-03] [ 2.09092122e-03 1.39733852e-03 -3.65168172e-13] [-2.09092122e-03 1.39733852e-03 -2.54809347e-13] [ 2.09092122e-03 -1.39733852e-03 -3.16181306e-14] [-2.09092122e-03 -1.39733852e-03 1.28286270e-13]] Final stress: [ 4.66954474e-05 -2.95915328e-04 4.66954474e-05 3.54091349e-16 -2.89257722e-16 -6.64960280e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.18099148e-03 -6.31803637e-14 4.21160502e-14] [ 3.18099148e-03 -9.28979116e-14 3.24740235e-14] [ 5.24289813e-14 -4.75683121e-03 7.15295878e-14] [ 8.21565038e-14 4.75683121e-03 4.38538095e-14] [-1.00329467e-13 -5.62761643e-14 -3.18099148e-03] [ 1.88737914e-14 -1.88404847e-13 3.18099148e-03] [-3.18099148e-03 9.12737767e-14 -1.12747592e-13] [ 3.18099148e-03 -7.36780428e-14 1.92993493e-14] [-3.74318632e-14 -4.75683121e-03 -4.65570500e-14] [ 5.05173160e-14 4.75683121e-03 4.86210161e-15] [ 5.39494664e-14 -9.72446706e-14 -3.18099148e-03] [-2.31802424e-15 -2.22708308e-13 3.18099148e-03] [-1.49745194e-03 8.98887483e-04 -1.49745194e-03] [ 1.49745194e-03 -8.98887483e-04 -1.49745194e-03] [ 1.49745194e-03 8.98887483e-04 1.49745194e-03] [-1.49745194e-03 -8.98887483e-04 1.49745194e-03] [-1.49745194e-03 8.98887483e-04 1.49745194e-03] [ 1.49745194e-03 -8.98887483e-04 1.49745194e-03] [-1.49745194e-03 -8.98887483e-04 -1.49745194e-03] [ 1.49745194e-03 8.98887483e-04 -1.49745194e-03] [-1.49745194e-03 8.98887483e-04 -1.49745194e-03] [ 1.49745194e-03 -8.98887484e-04 -1.49745194e-03] [ 1.49745194e-03 8.98887483e-04 1.49745194e-03] [-1.49745194e-03 -8.98887483e-04 1.49745194e-03] [-1.49745194e-03 8.98887483e-04 1.49745194e-03] [ 1.49745194e-03 -8.98887483e-04 1.49745194e-03] [-1.49745194e-03 -8.98887483e-04 -1.49745194e-03] [ 1.49745194e-03 8.98887483e-04 -1.49745194e-03] [ 7.74380560e-15 -1.00475184e-14 -8.65696403e-14] [-1.98580302e-13 7.38107421e-14 -3.94082369e-14] [-1.29674049e-13 -1.72558668e-04 -1.45470971e-03] [ 2.49106291e-15 1.72558668e-04 -1.45470971e-03] [-1.31426120e-13 -1.72558668e-04 1.45470971e-03] [-1.18276916e-13 1.72558668e-04 1.45470971e-03] [-3.43550890e-03 -2.14273044e-14 -3.43550890e-03] [-3.43550890e-03 -9.80326931e-14 3.43550890e-03] [ 3.43550890e-03 2.20969076e-14 -3.43550890e-03] [ 3.43550890e-03 -1.05589149e-13 3.43550890e-03] [-1.45470971e-03 -1.72558668e-04 -2.17825757e-13] [ 1.45470971e-03 -1.72558668e-04 -5.90916205e-14] [-1.45470971e-03 1.72558668e-04 -1.10992812e-13] [ 1.45470971e-03 1.72558668e-04 1.12687637e-14] [ 9.31897788e-14 -1.72558668e-04 -1.45470971e-03] [ 1.84918053e-13 1.72558669e-04 -1.45470971e-03] [ 2.19694055e-14 -1.72558668e-04 1.45470971e-03] [ 1.21890779e-13 1.72558668e-04 1.45470971e-03] [-3.43550890e-03 1.31638305e-13 -3.43550890e-03] [-3.43550890e-03 9.18789784e-14 3.43550890e-03] [ 3.43550890e-03 2.19495429e-13 -3.43550890e-03] [ 3.43550890e-03 1.36939071e-13 3.43550890e-03] [-1.45470971e-03 -1.72558668e-04 1.43246152e-14] [ 1.45470971e-03 -1.72558668e-04 -1.17399973e-13] [-1.45470971e-03 1.72558668e-04 9.91912512e-14] [ 1.45470971e-03 1.72558668e-04 4.35966367e-14]] Final stress: [-3.62665740e-05 1.71580459e-04 -3.62665740e-05 3.10917508e-16 -1.67928708e-16 8.14703631e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-5.22068000e-05 2.47145186e-13 1.14323915e-13] [ 5.22067998e-05 1.09884324e-13 7.50788320e-14] [-1.95920537e-13 2.15865778e-03 1.43177137e-13] [-2.65010236e-13 -2.15865778e-03 -2.63122857e-14] [ 3.31440170e-13 -1.07984802e-13 2.15865778e-03] [ 5.20417043e-14 9.04831765e-15 -2.15865778e-03] [-5.22067990e-05 2.14577054e-13 9.41033430e-15] [ 5.22067982e-05 8.84175545e-14 8.79279637e-14] [-3.01909105e-13 2.15865778e-03 -5.73892457e-13] [-3.29199775e-13 -2.15865778e-03 -5.77857682e-13] [-2.34151674e-13 6.81156064e-13 2.15865778e-03] [-1.51391052e-13 -3.41467245e-14 -2.15865778e-03] [ 1.07031649e-03 1.52193322e-04 1.52193322e-04] [-1.07031649e-03 -1.52193321e-04 1.52193322e-04] [-1.07031649e-03 1.52193322e-04 -1.52193322e-04] [ 1.07031649e-03 -1.52193322e-04 -1.52193321e-04] [ 1.07031649e-03 1.52193322e-04 -1.52193321e-04] [-1.07031649e-03 -1.52193322e-04 -1.52193321e-04] [ 1.07031649e-03 -1.52193322e-04 1.52193321e-04] [-1.07031649e-03 1.52193322e-04 1.52193322e-04] [ 1.07031649e-03 1.52193322e-04 1.52193322e-04] [-1.07031649e-03 -1.52193321e-04 1.52193322e-04] [-1.07031649e-03 1.52193322e-04 -1.52193322e-04] [ 1.07031649e-03 -1.52193322e-04 -1.52193322e-04] [ 1.07031649e-03 1.52193322e-04 -1.52193322e-04] [-1.07031649e-03 -1.52193322e-04 -1.52193323e-04] [ 1.07031649e-03 -1.52193321e-04 1.52193322e-04] [-1.07031649e-03 1.52193322e-04 1.52193322e-04] [-8.56259508e-14 -6.58584298e-13 1.28563826e-12] [ 9.99061944e-14 -1.57588904e-12 -8.01485889e-15] [ 2.67008637e-13 -2.38712038e-04 -2.38712037e-04] [ 2.11533221e-12 2.38712036e-04 -2.38712039e-04] [ 3.73728826e-13 -2.38712040e-04 2.38712035e-04] [ 3.06345227e-13 2.38712040e-04 2.38712035e-04] [-6.07462199e-04 -1.40332190e-12 1.07148295e-03] [-6.07462202e-04 -9.36672614e-13 -1.07148295e-03] [ 6.07462201e-04 -1.44623376e-12 1.07148295e-03] [ 6.07462202e-04 -1.53724949e-12 -1.07148295e-03] [-6.07462201e-04 1.07148295e-03 -9.52682377e-13] [ 6.07462202e-04 1.07148295e-03 2.23937188e-13] [-6.07462200e-04 -1.07148295e-03 -1.23373534e-14] [ 6.07462201e-04 -1.07148295e-03 1.44016743e-13] [-2.12976338e-14 -2.38712038e-04 -2.38712037e-04] [-1.57705446e-13 2.38712037e-04 -2.38712037e-04] [-1.50657308e-12 -2.38712037e-04 2.38712037e-04] [-3.74267024e-13 2.38712037e-04 2.38712037e-04] [-6.07462204e-04 2.07998425e-15 1.07148295e-03] [-6.07462202e-04 3.11424064e-14 -1.07148295e-03] [ 6.07462203e-04 -9.74967936e-13 1.07148295e-03] [ 6.07462198e-04 1.08473517e-12 -1.07148295e-03] [-6.07462202e-04 1.07148295e-03 1.25020348e-12] [ 6.07462200e-04 1.07148295e-03 1.70973428e-12] [-6.07462200e-04 -1.07148295e-03 2.24977616e-13] [ 6.07462199e-04 -1.07148295e-03 1.10079263e-12]] Final stress: [ 7.64104205e-05 -2.05702635e-05 -2.05702635e-05 3.54091349e-16 3.10868930e-16 4.43860986e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.18468906e-05 -7.87690226e-14 4.26464419e-14] [-5.18468906e-05 -7.31636973e-14 1.84574578e-14] [ 1.02670476e-13 2.46061757e-03 5.03742013e-14] [ 1.07996945e-13 -2.46061757e-03 1.28702604e-13] [ 1.22036062e-13 -3.23137350e-13 -2.35698091e-03] [ 1.46216372e-13 -2.25069963e-13 2.35698091e-03] [ 5.18468904e-05 8.66208147e-14 -1.35757431e-13] [-5.18468905e-05 3.12428035e-14 -1.43384645e-13] [-4.38451359e-15 2.46061757e-03 -8.37871939e-14] [-9.24299699e-14 -2.46061757e-03 -7.42670874e-14] [-3.89762007e-14 1.43597897e-13 -2.35698091e-03] [ 3.68737159e-14 8.59124054e-14 2.35698091e-03] [-7.18097581e-06 2.53475727e-04 -2.65906648e-04] [ 7.18097580e-06 -2.53475727e-04 -2.65906649e-04] [ 7.18097589e-06 2.53475727e-04 2.65906649e-04] [-7.18097574e-06 -2.53475727e-04 2.65906649e-04] [-7.18097580e-06 2.53475727e-04 2.65906649e-04] [ 7.18097570e-06 -2.53475727e-04 2.65906649e-04] [-7.18097580e-06 -2.53475727e-04 -2.65906649e-04] [ 7.18097593e-06 2.53475727e-04 -2.65906649e-04] [-7.18097589e-06 2.53475727e-04 -2.65906648e-04] [ 7.18097573e-06 -2.53475727e-04 -2.65906648e-04] [ 7.18097572e-06 2.53475727e-04 2.65906649e-04] [-7.18097603e-06 -2.53475727e-04 2.65906648e-04] [-7.18097597e-06 2.53475727e-04 2.65906649e-04] [ 7.18097584e-06 -2.53475727e-04 2.65906648e-04] [-7.18097604e-06 -2.53475727e-04 -2.65906648e-04] [ 7.18097573e-06 2.53475727e-04 -2.65906648e-04] [ 1.23262511e-13 -6.88893387e-14 -1.20820021e-13] [-5.85620961e-14 4.02749493e-14 8.81961381e-15] [ 4.03010958e-14 -8.52534773e-04 8.02702939e-04] [ 3.20264648e-13 8.52534774e-04 8.02702939e-04] [ 1.31110400e-13 -8.52534774e-04 -8.02702939e-04] [ 1.49033563e-13 8.52534774e-04 -8.02702939e-04] [-3.67001750e-04 -1.10578213e-13 4.61249777e-04] [-3.67001750e-04 5.11049536e-15 -4.61249777e-04] [ 3.67001750e-04 -2.68066819e-13 4.61249777e-04] [ 3.67001750e-04 -1.11176693e-13 -4.61249777e-04] [ 3.28502709e-04 -4.98497436e-04 2.09610107e-13] [-3.28502709e-04 -4.98497436e-04 7.80053105e-14] [ 3.28502710e-04 4.98497436e-04 2.40625228e-13] [-3.28502710e-04 4.98497436e-04 1.63150743e-13] [ 4.10487616e-14 -8.52534774e-04 8.02702940e-04] [ 4.98000079e-14 8.52534773e-04 8.02702939e-04] [-9.54705065e-15 -8.52534774e-04 -8.02702940e-04] [-1.64538522e-15 8.52534773e-04 -8.02702939e-04] [-3.67001750e-04 -8.94110082e-14 4.61249777e-04] [-3.67001750e-04 -6.30817013e-14 -4.61249777e-04] [ 3.67001750e-04 -1.75260414e-13 4.61249777e-04] [ 3.67001750e-04 -7.05689847e-14 -4.61249777e-04] [ 3.28502710e-04 -4.98497436e-04 3.22470265e-14] [-3.28502710e-04 -4.98497436e-04 1.10940625e-13] [ 3.28502710e-04 4.98497437e-04 -1.99525455e-14] [-3.28502710e-04 4.98497437e-04 4.24452140e-14]] Final stress: [ 3.06016544e-07 -2.98739741e-05 3.05122220e-05 -1.57940405e-16 -6.65012231e-17 1.56277874e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.18468909e-05 -1.86313204e-13 -7.94789581e-14] [-5.18468904e-05 -1.60732538e-13 -3.58879593e-14] [ 2.18850545e-13 -2.35698091e-03 1.13345965e-13] [ 2.40085729e-13 2.35698091e-03 9.79216708e-14] [ 7.93640327e-14 -1.43961232e-13 2.46061757e-03] [ 1.84380289e-13 -5.05151476e-14 -2.46061757e-03] [ 5.18468904e-05 -7.76332124e-15 2.59949109e-14] [-5.18468905e-05 -1.05111232e-14 4.46133888e-14] [-1.03484929e-14 -2.35698091e-03 3.36484200e-14] [-3.40643312e-14 2.35698091e-03 9.09037760e-14] [-1.99285033e-14 1.21721660e-14 2.46061757e-03] [ 4.02624982e-14 -1.72799242e-14 -2.46061757e-03] [-7.18097582e-06 -2.65906649e-04 2.53475727e-04] [ 7.18097587e-06 2.65906648e-04 2.53475727e-04] [ 7.18097603e-06 -2.65906648e-04 -2.53475727e-04] [-7.18097597e-06 2.65906648e-04 -2.53475727e-04] [-7.18097586e-06 -2.65906649e-04 -2.53475727e-04] [ 7.18097598e-06 2.65906648e-04 -2.53475727e-04] [-7.18097585e-06 2.65906648e-04 2.53475727e-04] [ 7.18097583e-06 -2.65906649e-04 2.53475727e-04] [-7.18097598e-06 -2.65906648e-04 2.53475727e-04] [ 7.18097582e-06 2.65906649e-04 2.53475727e-04] [ 7.18097577e-06 -2.65906648e-04 -2.53475727e-04] [-7.18097603e-06 2.65906649e-04 -2.53475727e-04] [-7.18097598e-06 -2.65906648e-04 -2.53475727e-04] [ 7.18097585e-06 2.65906649e-04 -2.53475727e-04] [-7.18097601e-06 2.65906649e-04 2.53475727e-04] [ 7.18097581e-06 -2.65906648e-04 2.53475727e-04] [-1.17988952e-13 -4.79144502e-13 2.25458541e-13] [ 9.64636357e-15 4.69446530e-14 -2.66263003e-14] [ 3.69704267e-14 8.02702941e-04 -8.52534775e-04] [ 5.36046901e-14 -8.02702941e-04 -8.52534775e-04] [-6.22106533e-14 8.02702941e-04 8.52534776e-04] [ 6.33208763e-14 -8.02702941e-04 8.52534775e-04] [ 3.28502711e-04 -1.11577414e-13 -4.98497437e-04] [ 3.28502710e-04 -3.53135923e-13 4.98497437e-04] [-3.28502711e-04 -2.83778209e-13 -4.98497437e-04] [-3.28502710e-04 -3.32102401e-13 4.98497437e-04] [-3.67001751e-04 4.61249778e-04 -6.26165786e-14] [ 3.67001751e-04 4.61249778e-04 -1.77682521e-13] [-3.67001751e-04 -4.61249778e-04 -1.29306288e-13] [ 3.67001751e-04 -4.61249778e-04 -1.95459968e-13] [-4.46869104e-14 8.02702941e-04 -8.52534775e-04] [-5.34967036e-14 -8.02702941e-04 -8.52534775e-04] [-4.44822131e-14 8.02702941e-04 8.52534776e-04] [-9.32838876e-14 -8.02702941e-04 8.52534776e-04] [ 3.28502710e-04 -8.24494454e-14 -4.98497437e-04] [ 3.28502711e-04 -7.14118435e-14 4.98497438e-04] [-3.28502710e-04 -6.90281166e-14 -4.98497437e-04] [-3.28502711e-04 -2.03673883e-14 4.98497437e-04] [-3.67001751e-04 4.61249778e-04 8.75530199e-14] [ 3.67001751e-04 4.61249778e-04 9.34803619e-14] [-3.67001751e-04 -4.61249778e-04 1.66056947e-14] [ 3.67001751e-04 -4.61249778e-04 -4.71317863e-13]] Final stress: [ 3.06016544e-07 3.05122220e-05 -2.98739741e-05 -1.09727018e-16 -1.77890772e-16 7.48138760e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.48143965e-05 1.40431937e-13 1.61716127e-13] [ 8.48143969e-05 -1.31561428e-14 7.03048730e-14] [ 2.94411197e-13 -7.26566413e-04 8.54425038e-14] [ 3.12860848e-13 7.26566413e-04 1.24622535e-14] [ 3.19406394e-13 -7.36936553e-14 -7.26566414e-04] [ 3.02757819e-13 -1.46688217e-13 7.26566413e-04] [-8.48143963e-05 -7.42661141e-14 -8.67437381e-14] [ 8.48143964e-05 -5.83539293e-14 -7.46471514e-15] [-7.73014465e-14 -7.26566414e-04 -3.65872873e-15] [-9.63782006e-14 7.26566414e-04 -1.30847745e-13] [-7.46260692e-14 -4.36103574e-14 -7.26566414e-04] [ 3.35877159e-14 8.07496211e-14 7.26566413e-04] [-2.85252607e-04 2.35977020e-06 2.35977022e-06] [ 2.85252607e-04 -2.35977003e-06 2.35977004e-06] [ 2.85252607e-04 2.35977019e-06 -2.35976978e-06] [-2.85252607e-04 -2.35977005e-06 -2.35977006e-06] [-2.85252607e-04 2.35977017e-06 -2.35977035e-06] [ 2.85252607e-04 -2.35977004e-06 -2.35976998e-06] [-2.85252607e-04 -2.35977021e-06 2.35976998e-06] [ 2.85252607e-04 2.35977017e-06 2.35977007e-06] [-2.85252608e-04 2.35977025e-06 2.35977004e-06] [ 2.85252607e-04 -2.35977001e-06 2.35977011e-06] [ 2.85252607e-04 2.35977037e-06 -2.35977036e-06] [-2.85252607e-04 -2.35977019e-06 -2.35977035e-06] [-2.85252607e-04 2.35977033e-06 -2.35977016e-06] [ 2.85252607e-04 -2.35977042e-06 -2.35977036e-06] [-2.85252608e-04 -2.35976988e-06 2.35976981e-06] [ 2.85252607e-04 2.35977030e-06 2.35976983e-06] [ 3.44113626e-13 -1.46604950e-13 1.10234044e-12] [-2.73084073e-13 -5.34985009e-15 2.37281600e-13] [-7.08655357e-13 1.58268446e-04 1.58268448e-04] [-4.10518841e-13 -1.58268447e-04 1.58268447e-04] [-4.78818374e-14 1.58268447e-04 -1.58268447e-04] [ 1.84758459e-13 -1.58268447e-04 -1.58268447e-04] [ 5.73029215e-04 -7.71605002e-14 -5.19322769e-04] [ 5.73029215e-04 2.86590196e-13 5.19322770e-04] [-5.73029215e-04 -6.51308868e-13 -5.19322770e-04] [-5.73029215e-04 -2.93463170e-14 5.19322770e-04] [ 5.73029215e-04 -5.19322770e-04 8.30335800e-13] [-5.73029215e-04 -5.19322770e-04 2.44609888e-13] [ 5.73029215e-04 5.19322770e-04 6.72776071e-13] [-5.73029216e-04 5.19322770e-04 -4.44384113e-13] [ 1.59882958e-13 1.58268447e-04 1.58268448e-04] [ 3.93487326e-14 -1.58268448e-04 1.58268447e-04] [ 8.06572691e-14 1.58268447e-04 -1.58268447e-04] [-8.58375870e-14 -1.58268447e-04 -1.58268448e-04] [ 5.73029215e-04 6.99302784e-14 -5.19322770e-04] [ 5.73029215e-04 1.73987127e-13 5.19322771e-04] [-5.73029216e-04 -1.33959250e-13 -5.19322770e-04] [-5.73029214e-04 2.45428677e-13 5.19322769e-04] [ 5.73029215e-04 -5.19322770e-04 1.16203916e-13] [-5.73029215e-04 -5.19322770e-04 4.03445892e-14] [ 5.73029216e-04 5.19322771e-04 -1.27269817e-13] [-5.73029215e-04 5.19322770e-04 -6.93429689e-14]] Final stress: [-4.34020670e-05 -9.26381884e-06 -9.26381884e-06 1.08072930e-16 1.66266047e-18 2.57712373e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.58807949e-05 -2.08743613e-14 6.50677429e-14] [ 4.58807948e-05 4.58244553e-14 8.24340596e-15] [-1.75254776e-14 4.57833022e-04 -9.44055229e-05] [-1.28508315e-14 -4.57833022e-04 9.44055229e-05] [ 2.45849348e-14 -9.37815698e-05 -4.49547738e-05] [ 1.18516308e-14 9.37815697e-05 4.49547734e-05] [-4.58807947e-05 2.25856660e-14 -9.31696941e-15] [ 4.58807952e-05 -5.51299457e-14 -1.57655180e-14] [-3.51082011e-14 4.57833022e-04 -9.44055228e-05] [ 5.69392623e-14 -4.57833022e-04 9.44055230e-05] [-1.39792691e-14 -9.37815696e-05 -4.49547733e-05] [-8.48080287e-14 9.37815698e-05 4.49547735e-05] [ 4.38128390e-04 -8.40398646e-05 1.35078159e-04] [ 1.23092404e-04 3.86027731e-05 1.80788110e-04] [ 1.23092405e-04 -3.86027733e-05 -1.80788111e-04] [ 4.38128390e-04 8.40398648e-05 -1.35078159e-04] [-1.23092405e-04 -3.86027730e-05 -1.80788111e-04] [-4.38128390e-04 8.40398648e-05 -1.35078158e-04] [-1.23092404e-04 3.86027729e-05 1.80788111e-04] [-4.38128390e-04 -8.40398648e-05 1.35078158e-04] [ 4.38128390e-04 -8.40398648e-05 1.35078158e-04] [ 1.23092405e-04 3.86027732e-05 1.80788110e-04] [ 1.23092404e-04 -3.86027728e-05 -1.80788111e-04] [ 4.38128390e-04 8.40398647e-05 -1.35078159e-04] [-1.23092404e-04 -3.86027729e-05 -1.80788110e-04] [-4.38128390e-04 8.40398646e-05 -1.35078159e-04] [-1.23092405e-04 3.86027733e-05 1.80788110e-04] [-4.38128390e-04 -8.40398647e-05 1.35078158e-04] [ 1.71196390e-13 4.17443857e-14 5.81756865e-13] [-5.15827832e-13 9.05435357e-14 -1.62266507e-13] [-2.20934382e-13 3.65230809e-04 4.38987067e-04] [ 1.61589492e-14 3.21242783e-04 -2.48538056e-04] [-2.10786250e-13 -3.21242782e-04 2.48538057e-04] [ 7.46278039e-15 -3.65230808e-04 -4.38987068e-04] [ 2.52781793e-04 3.93192333e-04 2.52840992e-04] [ 2.52781792e-04 -3.93192333e-04 -2.52840992e-04] [-2.52781793e-04 3.93192333e-04 2.52840991e-04] [-2.52781792e-04 -3.93192333e-04 -2.52840992e-04] [ 9.51342575e-05 2.19620725e-05 3.93349797e-04] [-9.51342579e-05 2.19620719e-05 3.93349797e-04] [ 9.51342583e-05 -2.19620721e-05 -3.93349797e-04] [-9.51342583e-05 -2.19620718e-05 -3.93349797e-04] [-3.36653448e-14 3.65230808e-04 4.38987068e-04] [ 1.93398682e-13 3.21242783e-04 -2.48538056e-04] [ 3.69184718e-13 -3.21242783e-04 2.48538056e-04] [ 2.70915235e-13 -3.65230809e-04 -4.38987067e-04] [ 2.52781793e-04 3.93192332e-04 2.52840991e-04] [ 2.52781793e-04 -3.93192333e-04 -2.52840991e-04] [-2.52781793e-04 3.93192332e-04 2.52840991e-04] [-2.52781793e-04 -3.93192333e-04 -2.52840991e-04] [ 9.51342581e-05 2.19620723e-05 3.93349797e-04] [-9.51342582e-05 2.19620722e-05 3.93349797e-04] [ 9.51342573e-05 -2.19620728e-05 -3.93349797e-04] [-9.51342569e-05 -2.19620732e-05 -3.93349797e-04]] Final stress: [ 1.58912263e-05 -1.30150017e-05 1.58963246e-05 1.71550972e-05 1.04735335e-16 -2.41057517e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.11118142e-05 -9.19212623e-14 2.61943245e-16] [ 2.11118141e-05 -7.89368571e-14 3.97182287e-14] [-1.63796927e-14 4.66337499e-04 1.00177542e-04] [ 5.80091530e-15 -4.66337499e-04 -1.00177542e-04] [-6.19096788e-14 9.95330486e-05 -2.02159356e-05] [ 1.09912079e-14 -9.95330487e-05 2.02159358e-05] [-2.11118143e-05 1.37828117e-14 -5.38380716e-14] [ 2.11118142e-05 -2.29850861e-17 -2.75707040e-14] [-1.79340050e-14 4.66337499e-04 1.00177543e-04] [-9.28944421e-15 -4.66337499e-04 -1.00177542e-04] [-2.29078909e-14 9.95330487e-05 -2.02159353e-05] [-5.26367144e-14 -9.95330486e-05 2.02159354e-05] [-1.28114601e-04 -5.35263338e-05 1.69030128e-04] [-4.39769129e-04 7.88644173e-05 1.43419944e-04] [-4.39769129e-04 -7.88644175e-05 -1.43419944e-04] [-1.28114601e-04 5.35263339e-05 -1.69030128e-04] [ 4.39769129e-04 -7.88644175e-05 -1.43419944e-04] [ 1.28114601e-04 5.35263338e-05 -1.69030128e-04] [ 4.39769129e-04 7.88644173e-05 1.43419944e-04] [ 1.28114601e-04 -5.35263338e-05 1.69030128e-04] [-1.28114601e-04 -5.35263336e-05 1.69030128e-04] [-4.39769129e-04 7.88644176e-05 1.43419944e-04] [-4.39769129e-04 -7.88644173e-05 -1.43419944e-04] [-1.28114601e-04 5.35263339e-05 -1.69030128e-04] [ 4.39769129e-04 -7.88644174e-05 -1.43419944e-04] [ 1.28114601e-04 5.35263339e-05 -1.69030128e-04] [ 4.39769129e-04 7.88644175e-05 1.43419944e-04] [ 1.28114601e-04 -5.35263336e-05 1.69030128e-04] [ 7.44404538e-14 -3.83915122e-13 -1.36252121e-13] [ 3.84249924e-14 -1.72402057e-13 -9.14620283e-14] [ 2.66564548e-13 -3.19404217e-04 -2.79565051e-04] [ 2.17933310e-13 -3.88516704e-04 4.29291465e-04] [-2.16385937e-13 3.88516704e-04 -4.29291463e-04] [ 3.47789506e-13 3.19404217e-04 2.79565051e-04] [ 2.50318294e-04 -3.67614919e-04 2.50377913e-04] [ 2.50318294e-04 3.67614919e-04 -2.50377913e-04] [-2.50318294e-04 -3.67614919e-04 2.50377913e-04] [-2.50318293e-04 3.67614919e-04 -2.50377913e-04] [ 7.47694044e-05 3.45211134e-05 -3.67748212e-04] [-7.47694039e-05 3.45211139e-05 -3.67748212e-04] [ 7.47694044e-05 -3.45211135e-05 3.67748212e-04] [-7.47694041e-05 -3.45211138e-05 3.67748212e-04] [-1.61350534e-13 -3.19404218e-04 -2.79565051e-04] [-1.36231304e-13 -3.88516704e-04 4.29291464e-04] [ 1.31405303e-14 3.88516704e-04 -4.29291464e-04] [-2.33182831e-13 3.19404217e-04 2.79565051e-04] [ 2.50318294e-04 -3.67614919e-04 2.50377913e-04] [ 2.50318293e-04 3.67614919e-04 -2.50377913e-04] [-2.50318294e-04 -3.67614919e-04 2.50377913e-04] [-2.50318294e-04 3.67614919e-04 -2.50377913e-04] [ 7.47694044e-05 3.45211138e-05 -3.67748212e-04] [-7.47694048e-05 3.45211135e-05 -3.67748212e-04] [ 7.47694038e-05 -3.45211142e-05 3.67748212e-04] [-7.47694036e-05 -3.45211145e-05 3.67748212e-04]] Final stress: [ 1.59825448e-05 -1.29696966e-05 1.59877987e-05 -1.70770313e-05 -1.39647114e-16 -8.31232819e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.55817872e-05 1.12070075e-13 4.45303516e-14] [-3.55817875e-05 1.70752301e-13 8.90121310e-14] [-4.57494286e-14 -4.77708903e-04 -3.35964836e-05] [ 1.03528297e-14 4.77708903e-04 3.35964835e-05] [ 1.08514760e-13 -3.41593037e-05 3.65259889e-05] [ 2.27873276e-14 3.41593036e-05 -3.65259893e-05] [ 3.55817875e-05 -1.08890327e-13 -5.59762790e-14] [-3.55817872e-05 -1.47609355e-13 -5.95538091e-14] [ 8.72956221e-15 -4.77708903e-04 -3.35964834e-05] [-2.28983499e-14 4.77708903e-04 3.35964834e-05] [-1.29646294e-13 -3.41593034e-05 3.65259891e-05] [-9.15127349e-14 3.41593036e-05 -3.65259890e-05] [ 1.60451662e-04 2.81924009e-05 -1.98170186e-04] [ 4.81254605e-04 -1.04757226e-04 -1.21751882e-04] [ 4.81254605e-04 1.04757226e-04 1.21751882e-04] [ 1.60451663e-04 -2.81924008e-05 1.98170186e-04] [-4.81254605e-04 1.04757226e-04 1.21751882e-04] [-1.60451663e-04 -2.81924006e-05 1.98170186e-04] [-4.81254605e-04 -1.04757226e-04 -1.21751882e-04] [-1.60451662e-04 2.81924007e-05 -1.98170186e-04] [ 1.60451662e-04 2.81924005e-05 -1.98170187e-04] [ 4.81254605e-04 -1.04757226e-04 -1.21751882e-04] [ 4.81254605e-04 1.04757226e-04 1.21751882e-04] [ 1.60451662e-04 -2.81924008e-05 1.98170186e-04] [-4.81254605e-04 1.04757226e-04 1.21751882e-04] [-1.60451662e-04 -2.81924010e-05 1.98170186e-04] [-4.81254605e-04 -1.04757226e-04 -1.21751882e-04] [-1.60451662e-04 2.81924006e-05 -1.98170186e-04] [ 3.17967874e-13 4.80060436e-13 3.83693077e-13] [-3.97138919e-13 4.65267553e-13 -1.73814398e-13] [ 6.76125822e-14 2.08163589e-04 3.58052395e-04] [ 2.57148469e-13 4.69684996e-04 -3.18908415e-04] [-2.07524969e-14 -4.69684996e-04 3.18908414e-04] [ 4.10695783e-14 -2.08163589e-04 -3.58052395e-04] [-2.39610255e-04 4.03349778e-04 -2.39587115e-04] [-2.39610255e-04 -4.03349778e-04 2.39587115e-04] [ 2.39610255e-04 4.03349778e-04 -2.39587115e-04] [ 2.39610255e-04 -4.03349778e-04 2.39587115e-04] [ 1.95050398e-05 -1.30805269e-04 4.03189065e-04] [-1.95050395e-05 -1.30805269e-04 4.03189065e-04] [ 1.95050403e-05 1.30805270e-04 -4.03189065e-04] [-1.95050399e-05 1.30805269e-04 -4.03189065e-04] [-1.18863253e-13 2.08163590e-04 3.58052394e-04] [-4.59341766e-14 4.69684995e-04 -3.18908415e-04] [ 2.11926830e-14 -4.69684995e-04 3.18908415e-04] [ 6.98577481e-14 -2.08163591e-04 -3.58052394e-04] [-2.39610256e-04 4.03349778e-04 -2.39587114e-04] [-2.39610256e-04 -4.03349778e-04 2.39587114e-04] [ 2.39610256e-04 4.03349778e-04 -2.39587114e-04] [ 2.39610256e-04 -4.03349778e-04 2.39587114e-04] [ 1.95050406e-05 -1.30805270e-04 4.03189065e-04] [-1.95050411e-05 -1.30805270e-04 4.03189065e-04] [ 1.95050410e-05 1.30805271e-04 -4.03189065e-04] [-1.95050413e-05 1.30805271e-04 -4.03189065e-04]] Final stress: [-1.65430122e-05 1.30076569e-05 -1.65379785e-05 1.78124468e-05 -5.65282478e-17 -1.08068709e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.24203588e-06 -1.25940924e-14 2.14268707e-14] [ 2.24203593e-06 -4.34652314e-14 1.27675648e-15] [ 3.87415794e-14 -4.80807123e-04 7.81451787e-05] [ 5.91193761e-14 4.80807123e-04 -7.81451786e-05] [ 7.04740086e-14 7.87638607e-05 -1.36442313e-06] [-2.61457522e-14 -7.87638607e-05 1.36442350e-06] [-2.24203608e-06 1.06347223e-14 3.66760657e-14] [ 2.24203594e-06 -3.36675132e-14 2.83872970e-14] [-8.71082720e-14 -4.80807123e-04 7.81451785e-05] [ 3.07939438e-14 4.80807123e-04 -7.81451785e-05] [-3.99940497e-14 7.87638607e-05 -1.36442322e-06] [-5.73326109e-14 -7.87638608e-05 1.36442312e-06] [-4.59771639e-04 8.37134478e-05 -1.44287856e-04] [-1.45001025e-04 -5.80921900e-05 -1.69690319e-04] [-1.45001025e-04 5.80921901e-05 1.69690318e-04] [-4.59771639e-04 -8.37134479e-05 1.44287856e-04] [ 1.45001025e-04 5.80921900e-05 1.69690318e-04] [ 4.59771639e-04 -8.37134480e-05 1.44287856e-04] [ 1.45001025e-04 -5.80921900e-05 -1.69690319e-04] [ 4.59771639e-04 8.37134478e-05 -1.44287856e-04] [-4.59771639e-04 8.37134479e-05 -1.44287856e-04] [-1.45001025e-04 -5.80921901e-05 -1.69690319e-04] [-1.45001025e-04 5.80921901e-05 1.69690318e-04] [-4.59771639e-04 -8.37134477e-05 1.44287856e-04] [ 1.45001025e-04 5.80921900e-05 1.69690319e-04] [ 4.59771639e-04 -8.37134478e-05 1.44287856e-04] [ 1.45001025e-04 -5.80921902e-05 -1.69690319e-04] [ 4.59771639e-04 8.37134480e-05 -1.44287856e-04] [ 9.16489107e-14 -3.92491595e-13 -2.07972528e-13] [ 9.54444856e-14 -1.95925588e-13 2.58580672e-14] [-2.39808173e-13 -4.46502583e-04 -3.71770961e-04] [ 2.84402710e-13 -2.69669165e-04 3.43590144e-04] [-2.14129062e-13 2.69669166e-04 -3.43590143e-04] [ 3.20672308e-13 4.46502583e-04 3.71770961e-04] [-2.43662620e-04 -3.54171150e-04 -2.43618185e-04] [-2.43662619e-04 3.54171151e-04 2.43618185e-04] [ 2.43662619e-04 -3.54171150e-04 -2.43618185e-04] [ 2.43662619e-04 3.54171150e-04 2.43618186e-04] [-1.41727059e-05 -8.84552998e-05 -3.54046654e-04] [ 1.41727065e-05 -8.84552992e-05 -3.54046654e-04] [-1.41727059e-05 8.84552999e-05 3.54046654e-04] [ 1.41727062e-05 8.84552995e-05 3.54046654e-04] [ 4.02846159e-15 -4.46502583e-04 -3.71770962e-04] [-1.70178975e-13 -2.69669167e-04 3.43590143e-04] [-1.47013044e-13 2.69669166e-04 -3.43590143e-04] [-2.08870247e-13 4.46502583e-04 3.71770962e-04] [-2.43662620e-04 -3.54171151e-04 -2.43618184e-04] [-2.43662621e-04 3.54171150e-04 2.43618184e-04] [ 2.43662620e-04 -3.54171150e-04 -2.43618185e-04] [ 2.43662620e-04 3.54171150e-04 2.43618184e-04] [-1.41727050e-05 -8.84553005e-05 -3.54046654e-04] [ 1.41727046e-05 -8.84553008e-05 -3.54046654e-04] [-1.41727052e-05 8.84553004e-05 3.54046654e-04] [ 1.41727060e-05 8.84552995e-05 3.54046654e-04]] Final stress: [-1.64634329e-05 1.27619927e-05 -1.64583022e-05 -1.73115998e-05 1.39658024e-16 -3.49145060e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.78197019e-05 6.62204666e-14 -6.10730116e-05] [-3.78197024e-05 6.98885394e-14 6.10730118e-05] [ 8.74296295e-14 4.83309989e-04 6.38681816e-14] [ 1.71140879e-13 -4.83309989e-04 1.44079193e-13] [-6.10730118e-05 4.26477430e-14 3.78197021e-05] [ 6.10730119e-05 -2.58681965e-14 -3.78197023e-05] [ 3.78197024e-05 -6.49302660e-14 -6.10730118e-05] [-3.78197019e-05 -9.01969471e-15 6.10730118e-05] [-2.45268215e-14 4.83309989e-04 2.82101880e-14] [-5.18899160e-14 -4.83309988e-04 1.12046065e-15] [-6.10730118e-05 1.58731031e-14 3.78197022e-05] [ 6.10730119e-05 -3.02210738e-14 -3.78197022e-05] [ 1.44474423e-04 2.43568348e-04 1.44474424e-04] [-1.57639160e-04 3.97951122e-04 1.57639160e-04] [-1.44474423e-04 2.43568348e-04 -1.44474423e-04] [ 1.57639160e-04 3.97951122e-04 -1.57639160e-04] [ 1.57639160e-04 -3.97951122e-04 -1.57639160e-04] [-1.44474423e-04 -2.43568348e-04 -1.44474423e-04] [ 1.44474423e-04 -2.43568348e-04 1.44474423e-04] [-1.57639160e-04 -3.97951122e-04 1.57639160e-04] [ 1.44474423e-04 2.43568348e-04 1.44474423e-04] [-1.57639160e-04 3.97951122e-04 1.57639160e-04] [-1.44474424e-04 2.43568348e-04 -1.44474424e-04] [ 1.57639160e-04 3.97951122e-04 -1.57639160e-04] [ 1.57639159e-04 -3.97951122e-04 -1.57639160e-04] [-1.44474424e-04 -2.43568348e-04 -1.44474424e-04] [ 1.44474423e-04 -2.43568348e-04 1.44474423e-04] [-1.57639160e-04 -3.97951122e-04 1.57639160e-04] [ 8.14265322e-13 1.30451205e-13 3.80223630e-13] [-4.13481315e-13 -3.42688554e-13 5.14191674e-15] [ 3.24437780e-04 -7.65020012e-06 8.75209632e-05] [ 3.24437780e-04 7.65020005e-06 8.75209630e-05] [-3.24437780e-04 -7.65020014e-06 -8.75209630e-05] [-3.24437780e-04 7.65020052e-06 -8.75209633e-05] [ 6.13011130e-04 4.81836793e-14 6.13011131e-04] [-1.26835817e-04 -2.30770264e-13 1.26835815e-04] [ 1.26835816e-04 6.46791648e-14 -1.26835816e-04] [-6.13011129e-04 -3.35200617e-14 -6.13011130e-04] [ 8.75209625e-05 -7.65019950e-06 3.24437780e-04] [-8.75209637e-05 -7.65020095e-06 -3.24437780e-04] [ 8.75209628e-05 7.65019973e-06 3.24437780e-04] [-8.75209635e-05 7.65020074e-06 -3.24437780e-04] [ 3.24437780e-04 -7.65020048e-06 8.75209633e-05] [ 3.24437781e-04 7.65020066e-06 8.75209636e-05] [-3.24437780e-04 -7.65020029e-06 -8.75209631e-05] [-3.24437779e-04 7.65020005e-06 -8.75209630e-05] [ 6.13011130e-04 9.78309955e-15 6.13011130e-04] [-1.26835816e-04 1.72810334e-13 1.26835817e-04] [ 1.26835817e-04 -1.55749112e-13 -1.26835816e-04] [-6.13011129e-04 -1.06394928e-14 -6.13011131e-04] [ 8.75209632e-05 -7.65020033e-06 3.24437781e-04] [-8.75209628e-05 -7.65019979e-06 -3.24437780e-04] [ 8.75209631e-05 7.65020020e-06 3.24437780e-04] [-8.75209626e-05 7.65019965e-06 -3.24437780e-04]] Final stress: [ 1.61945615e-05 -1.25422234e-05 1.61945615e-05 1.62921632e-16 1.74610878e-05 -2.12795602e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.49263128e-04 6.40854557e-14 4.34719588e-07] [ 1.49263128e-04 6.90836277e-14 -4.34719601e-07] [-5.30508797e-14 4.16317575e-04 4.16723947e-14] [-3.69704267e-14 -4.16317574e-04 -2.35089725e-14] [ 4.34719735e-07 2.56565602e-15 -1.49263128e-04] [-4.34719461e-07 6.00075545e-14 1.49263128e-04] [-1.49263128e-04 -7.20604132e-15 4.34719686e-07] [ 1.49263128e-04 8.06516312e-15 -4.34719549e-07] [ 8.52607915e-14 4.16317575e-04 7.62091564e-14] [-1.91686944e-15 -4.16317574e-04 2.07279218e-14] [ 4.34719515e-07 5.63328921e-14 -1.49263128e-04] [-4.34719672e-07 -9.83401864e-16 1.49263128e-04] [ 2.51218548e-04 -3.43698681e-04 2.51218548e-04] [-7.49828083e-05 -2.63724944e-04 7.49828083e-05] [-2.51218548e-04 -3.43698681e-04 -2.51218549e-04] [ 7.49828084e-05 -2.63724944e-04 -7.49828084e-05] [ 7.49828084e-05 2.63724944e-04 -7.49828086e-05] [-2.51218549e-04 3.43698681e-04 -2.51218549e-04] [ 2.51218549e-04 3.43698681e-04 2.51218548e-04] [-7.49828083e-05 2.63724944e-04 7.49828083e-05] [ 2.51218549e-04 -3.43698681e-04 2.51218549e-04] [-7.49828086e-05 -2.63724944e-04 7.49828083e-05] [-2.51218549e-04 -3.43698681e-04 -2.51218549e-04] [ 7.49828081e-05 -2.63724944e-04 -7.49828085e-05] [ 7.49828082e-05 2.63724944e-04 -7.49828085e-05] [-2.51218549e-04 3.43698681e-04 -2.51218548e-04] [ 2.51218548e-04 3.43698681e-04 2.51218549e-04] [-7.49828087e-05 2.63724944e-04 7.49828083e-05] [ 2.47329934e-13 -4.94382313e-13 -1.03556053e-13] [ 2.45627737e-13 1.99211156e-14 6.59941681e-13] [-5.22009410e-04 -1.28377547e-04 2.63187070e-04] [-5.22009410e-04 1.28377547e-04 2.63187070e-04] [ 5.22009410e-04 -1.28377546e-04 -2.63187069e-04] [ 5.22009410e-04 1.28377547e-04 -2.63187070e-04] [-2.43255785e-05 -1.82520665e-13 -2.43255794e-05] [ 5.45603466e-04 -1.98514816e-13 -5.45603465e-04] [-5.45603466e-04 -8.17644563e-14 5.45603465e-04] [ 2.43255789e-05 -1.13450915e-14 2.43255790e-05] [ 2.63187069e-04 -1.28377546e-04 -5.22009410e-04] [-2.63187069e-04 -1.28377546e-04 5.22009411e-04] [ 2.63187069e-04 1.28377546e-04 -5.22009410e-04] [-2.63187070e-04 1.28377546e-04 5.22009411e-04] [-5.22009410e-04 -1.28377546e-04 2.63187069e-04] [-5.22009410e-04 1.28377546e-04 2.63187069e-04] [ 5.22009410e-04 -1.28377546e-04 -2.63187069e-04] [ 5.22009410e-04 1.28377546e-04 -2.63187069e-04] [-2.43255786e-05 -3.20953881e-13 -2.43255789e-05] [ 5.45603465e-04 4.05539317e-14 -5.45603466e-04] [-5.45603465e-04 -2.97647757e-13 5.45603466e-04] [ 2.43255796e-05 -1.83858137e-13 2.43255784e-05] [ 2.63187069e-04 -1.28377546e-04 -5.22009410e-04] [-2.63187070e-04 -1.28377546e-04 5.22009410e-04] [ 2.63187070e-04 1.28377547e-04 -5.22009410e-04] [-2.63187070e-04 1.28377547e-04 5.22009410e-04]] Final stress: [ 1.54867196e-05 -1.27157526e-05 1.54867196e-05 1.69571495e-16 -1.82340230e-05 6.98235568e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.98842644e-07 -1.16829289e-14 -1.07133339e-04] [ 4.98842673e-07 -7.99915689e-14 1.07133339e-04] [-8.18390494e-14 -4.73228757e-04 -1.82974295e-14] [-4.49640325e-15 4.73228758e-04 -7.16093851e-15] [-1.07133339e-04 8.40534239e-14 -4.98842707e-07] [ 1.07133339e-04 -1.30312428e-13 4.98842560e-07] [-4.98842591e-07 4.00205043e-14 -1.07133339e-04] [ 4.98842586e-07 7.44053257e-14 1.07133339e-04] [ 1.03160102e-13 -4.73228757e-04 1.16888316e-13] [ 9.81246334e-15 4.73228757e-04 -4.36005962e-14] [-1.07133339e-04 -6.21519697e-14 -4.98842593e-07] [ 1.07133339e-04 8.15996188e-14 4.98842369e-07] [-1.61299796e-04 3.51055971e-04 -1.61299796e-04] [ 1.52317437e-04 2.14811190e-04 -1.52317437e-04] [ 1.61299796e-04 3.51055971e-04 1.61299796e-04] [-1.52317437e-04 2.14811190e-04 1.52317437e-04] [-1.52317437e-04 -2.14811190e-04 1.52317437e-04] [ 1.61299796e-04 -3.51055971e-04 1.61299796e-04] [-1.61299796e-04 -3.51055971e-04 -1.61299796e-04] [ 1.52317437e-04 -2.14811190e-04 -1.52317437e-04] [-1.61299796e-04 3.51055971e-04 -1.61299796e-04] [ 1.52317437e-04 2.14811190e-04 -1.52317437e-04] [ 1.61299796e-04 3.51055971e-04 1.61299796e-04] [-1.52317437e-04 2.14811190e-04 1.52317437e-04] [-1.52317437e-04 -2.14811190e-04 1.52317437e-04] [ 1.61299796e-04 -3.51055971e-04 1.61299796e-04] [-1.61299796e-04 -3.51055971e-04 -1.61299796e-04] [ 1.52317437e-04 -2.14811190e-04 -1.52317437e-04] [-3.08919557e-13 -2.40141240e-13 1.10272902e-13] [ 1.80558693e-14 3.41214800e-13 1.32717107e-13] [ 3.46126935e-04 -4.46832887e-05 -6.12597847e-05] [ 3.46126935e-04 4.46832893e-05 -6.12597839e-05] [-3.46126935e-04 -4.46832890e-05 6.12597846e-05] [-3.46126935e-04 4.46832889e-05 6.12597845e-05] [ 1.10945073e-04 -8.81517082e-14 1.10945074e-04] [-6.10440748e-04 2.19940385e-13 6.10440747e-04] [ 6.10440748e-04 4.86312379e-14 -6.10440747e-04] [-1.10945074e-04 3.68463940e-13 -1.10945073e-04] [-6.12597845e-05 -4.46832888e-05 3.46126936e-04] [ 6.12597844e-05 -4.46832892e-05 -3.46126935e-04] [-6.12597836e-05 4.46832896e-05 3.46126935e-04] [ 6.12597840e-05 4.46832895e-05 -3.46126935e-04] [ 3.46126935e-04 -4.46832894e-05 -6.12597839e-05] [ 3.46126935e-04 4.46832888e-05 -6.12597845e-05] [-3.46126935e-04 -4.46832894e-05 6.12597838e-05] [-3.46126935e-04 4.46832892e-05 6.12597843e-05] [ 1.10945074e-04 -2.27618031e-14 1.10945073e-04] [-6.10440748e-04 -1.42144543e-13 6.10440747e-04] [ 6.10440747e-04 -2.15755365e-13 -6.10440748e-04] [-1.10945074e-04 -5.56340564e-13 -1.10945073e-04] [-6.12597841e-05 -4.46832892e-05 3.46126935e-04] [ 6.12597842e-05 -4.46832890e-05 -3.46126935e-04] [-6.12597845e-05 4.46832888e-05 3.46126936e-04] [ 6.12597844e-05 4.46832889e-05 -3.46126935e-04]] Final stress: [-1.62867872e-05 1.26369385e-05 -1.62867872e-05 1.16381687e-16 1.69910830e-05 4.65526746e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.98847518e-07 -6.72639028e-15 1.07133331e-04] [ 4.98847274e-07 2.57571742e-14 -1.07133331e-04] [ 1.92163993e-15 -4.73228760e-04 3.22008045e-14] [-1.94011474e-14 4.73228760e-04 -6.50313137e-14] [ 1.07133331e-04 -1.26127841e-13 -4.98847108e-07] [-1.07133331e-04 -1.06303855e-14 4.98847187e-07] [-4.98847357e-07 3.37403716e-15 1.07133331e-04] [ 4.98847329e-07 2.69536997e-14 -1.07133331e-04] [ 5.53728070e-14 -4.73228759e-04 -1.45955573e-14] [ 5.26354134e-14 4.73228760e-04 -6.35636073e-15] [ 1.07133330e-04 6.57105365e-14 -4.98847352e-07] [-1.07133331e-04 4.71581708e-14 4.98847363e-07] [-1.52317435e-04 -2.14811195e-04 -1.52317436e-04] [ 1.61299797e-04 -3.51055978e-04 -1.61299797e-04] [ 1.52317435e-04 -2.14811195e-04 1.52317435e-04] [-1.61299797e-04 -3.51055978e-04 1.61299797e-04] [-1.61299797e-04 3.51055978e-04 1.61299797e-04] [ 1.52317436e-04 2.14811195e-04 1.52317436e-04] [-1.52317435e-04 2.14811195e-04 -1.52317436e-04] [ 1.61299797e-04 3.51055978e-04 -1.61299797e-04] [-1.52317435e-04 -2.14811195e-04 -1.52317435e-04] [ 1.61299797e-04 -3.51055978e-04 -1.61299797e-04] [ 1.52317436e-04 -2.14811195e-04 1.52317436e-04] [-1.61299797e-04 -3.51055978e-04 1.61299797e-04] [-1.61299797e-04 3.51055978e-04 1.61299797e-04] [ 1.52317436e-04 2.14811195e-04 1.52317436e-04] [-1.52317435e-04 2.14811195e-04 -1.52317435e-04] [ 1.61299797e-04 3.51055978e-04 -1.61299797e-04] [ 2.63150612e-13 -3.57491814e-14 -3.17940119e-13] [ 1.23343610e-13 -2.67053535e-13 2.37884156e-14] [-3.46126934e-04 -4.46832856e-05 -6.12597844e-05] [-3.46126934e-04 4.46832851e-05 -6.12597849e-05] [ 3.46126934e-04 -4.46832855e-05 6.12597846e-05] [ 3.46126934e-04 4.46832856e-05 6.12597845e-05] [-6.10440748e-04 -2.27595720e-13 -6.10440746e-04] [ 1.10945074e-04 -3.78343190e-15 -1.10945076e-04] [-1.10945075e-04 1.40998324e-14 1.10945076e-04] [ 6.10440747e-04 -7.50562806e-14 6.10440747e-04] [-6.12597847e-05 -4.46832854e-05 -3.46126933e-04] [ 6.12597847e-05 -4.46832856e-05 3.46126934e-04] [-6.12597845e-05 4.46832854e-05 -3.46126934e-04] [ 6.12597839e-05 4.46832862e-05 3.46126934e-04] [-3.46126933e-04 -4.46832862e-05 -6.12597838e-05] [-3.46126933e-04 4.46832855e-05 -6.12597843e-05] [ 3.46126934e-04 -4.46832860e-05 6.12597839e-05] [ 3.46126934e-04 4.46832860e-05 6.12597841e-05] [-6.10440747e-04 -1.75194486e-13 -6.10440747e-04] [ 1.10945075e-04 -3.94883778e-14 -1.10945075e-04] [-1.10945075e-04 -2.69610723e-14 1.10945076e-04] [ 6.10440747e-04 2.82103767e-13 6.10440747e-04] [-6.12597849e-05 -4.46832853e-05 -3.46126933e-04] [ 6.12597855e-05 -4.46832847e-05 3.46126934e-04] [-6.12597848e-05 4.46832855e-05 -3.46126934e-04] [ 6.12597851e-05 4.46832851e-05 3.46126934e-04]] Final stress: [-1.62867873e-05 1.26369384e-05 -1.62867873e-05 -2.82641239e-17 -1.69910831e-05 -5.65282478e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.58321558e-05 -9.59036075e-05 -3.40439482e-14] [ 3.58321557e-05 9.59036076e-05 -3.80251386e-15] [-9.65351545e-05 4.60976658e-04 1.42941214e-14] [ 9.65351545e-05 -4.60976658e-04 8.39883718e-14] [ 6.13975017e-14 2.39365819e-14 -3.67470619e-05] [ 8.03246358e-14 -3.25850458e-14 3.67470617e-05] [-3.58321558e-05 -9.59036075e-05 3.09267505e-14] [ 3.58321558e-05 9.59036076e-05 -1.01601845e-14] [-9.65351544e-05 4.60976658e-04 -5.63679144e-14] [ 9.65351544e-05 -4.60976658e-04 -8.78968268e-14] [-5.95461180e-14 -2.75886642e-14 -3.67470624e-05] [-7.16562226e-14 2.32398261e-14 3.67470618e-05] [ 1.38156367e-04 -8.21323986e-05 4.38740913e-04] [-1.38156367e-04 8.21323987e-05 4.38740913e-04] [-1.76455086e-04 -4.41062870e-05 1.24946953e-04] [ 1.76455086e-04 4.41062871e-05 1.24946953e-04] [ 1.38156367e-04 -8.21323986e-05 -4.38740913e-04] [-1.38156367e-04 8.21323985e-05 -4.38740913e-04] [ 1.76455086e-04 4.41062871e-05 -1.24946953e-04] [-1.76455086e-04 -4.41062871e-05 -1.24946953e-04] [ 1.38156366e-04 -8.21323988e-05 4.38740912e-04] [-1.38156367e-04 8.21323984e-05 4.38740913e-04] [-1.76455086e-04 -4.41062872e-05 1.24946953e-04] [ 1.76455086e-04 4.41062872e-05 1.24946952e-04] [ 1.38156366e-04 -8.21323988e-05 -4.38740913e-04] [-1.38156367e-04 8.21323986e-05 -4.38740913e-04] [ 1.76455086e-04 4.41062872e-05 -1.24946953e-04] [-1.76455086e-04 -4.41062871e-05 -1.24946953e-04] [ 2.86798363e-13 5.85781423e-13 1.86628490e-13] [-5.99780642e-16 5.58279804e-14 2.97006378e-13] [ 3.83915478e-04 2.65944889e-05 8.76258355e-05] [-3.83915479e-04 -2.65944896e-05 8.76258346e-05] [ 3.83915478e-04 2.65944887e-05 -8.76258356e-05] [-3.83915478e-04 -2.65944896e-05 -8.76258346e-05] [ 2.51936569e-04 3.83766944e-04 2.51877241e-04] [ 2.51936569e-04 3.83766944e-04 -2.51877241e-04] [-2.51936569e-04 -3.83766945e-04 2.51877241e-04] [-2.51936569e-04 -3.83766945e-04 -2.51877241e-04] [ 4.35419087e-04 3.73824957e-04 5.41677814e-13] [ 2.59984330e-04 -3.20569724e-04 4.37200623e-13] [-2.59984330e-04 3.20569724e-04 4.56910551e-13] [-4.35419088e-04 -3.73824957e-04 1.43869291e-13] [ 3.83915479e-04 2.65944895e-05 8.76258348e-05] [-3.83915478e-04 -2.65944897e-05 8.76258347e-05] [ 3.83915478e-04 2.65944890e-05 -8.76258351e-05] [-3.83915478e-04 -2.65944889e-05 -8.76258353e-05] [ 2.51936569e-04 3.83766945e-04 2.51877241e-04] [ 2.51936569e-04 3.83766945e-04 -2.51877241e-04] [-2.51936569e-04 -3.83766944e-04 2.51877241e-04] [-2.51936569e-04 -3.83766944e-04 -2.51877242e-04] [ 4.35419087e-04 3.73824957e-04 -1.20340785e-13] [ 2.59984330e-04 -3.20569723e-04 1.33109960e-13] [-2.59984329e-04 3.20569725e-04 6.65621902e-14] [-4.35419088e-04 -3.73824957e-04 2.61410685e-13]] Final stress: [ 1.59300969e-05 -1.29985777e-05 1.59249422e-05 -1.66246564e-18 7.48109537e-17 1.71262956e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.13255897e-05 9.69513945e-05 1.93798970e-14] [ 3.13255892e-05 -9.69513945e-05 3.86080057e-14] [ 9.75866846e-05 4.62526355e-04 4.07590628e-14] [-9.75866846e-05 -4.62526355e-04 6.51700915e-14] [-1.18064412e-13 -5.29472299e-14 -3.22350048e-05] [-7.12763182e-14 -2.90045765e-14 3.22350047e-05] [-3.13255891e-05 9.69513945e-05 -1.83328226e-14] [ 3.13255898e-05 -9.69513944e-05 -1.90310754e-14] [ 9.75866845e-05 4.62526355e-04 -3.53240620e-14] [-9.75866844e-05 -4.62526355e-04 1.56284197e-14] [ 5.59882002e-14 -2.90294267e-14 -3.22350051e-05] [ 5.80182603e-14 -2.46290015e-14 3.22350047e-05] [ 1.74313365e-04 -4.68248663e-05 -1.25861990e-04] [-1.74313365e-04 4.68248663e-05 -1.25861990e-04] [-1.39676084e-04 -8.11896757e-05 -4.39040273e-04] [ 1.39676084e-04 8.11896757e-05 -4.39040273e-04] [ 1.74313365e-04 -4.68248662e-05 1.25861990e-04] [-1.74313365e-04 4.68248661e-05 1.25861990e-04] [ 1.39676084e-04 8.11896756e-05 4.39040273e-04] [-1.39676084e-04 -8.11896758e-05 4.39040273e-04] [ 1.74313365e-04 -4.68248663e-05 -1.25861990e-04] [-1.74313365e-04 4.68248662e-05 -1.25861990e-04] [-1.39676084e-04 -8.11896755e-05 -4.39040273e-04] [ 1.39676084e-04 8.11896759e-05 -4.39040273e-04] [ 1.74313365e-04 -4.68248662e-05 1.25861990e-04] [-1.74313365e-04 4.68248663e-05 1.25861990e-04] [ 1.39676084e-04 8.11896759e-05 4.39040273e-04] [-1.39676084e-04 -8.11896756e-05 4.39040273e-04] [ 2.71033196e-13 -5.53335155e-13 1.87544424e-13] [-3.95934154e-13 4.07414671e-13 3.40842982e-13] [-3.79252158e-04 2.88823733e-05 8.39161521e-05] [ 3.79252156e-04 -2.88823739e-05 8.39161515e-05] [-3.79252158e-04 2.88823734e-05 -8.39161519e-05] [ 3.79252156e-04 -2.88823737e-05 -8.39161518e-05] [ 2.51488124e-04 -3.79108027e-04 2.51428721e-04] [ 2.51488123e-04 -3.79108027e-04 -2.51428721e-04] [-2.51488124e-04 3.79108027e-04 2.51428720e-04] [-2.51488124e-04 3.79108027e-04 -2.51428720e-04] [-2.65636672e-04 -3.20235124e-04 -1.64313008e-14] [-4.33653356e-04 3.78067290e-04 2.55802324e-14] [ 4.33653356e-04 -3.78067290e-04 3.14855780e-13] [ 2.65636671e-04 3.20235125e-04 2.03918479e-13] [-3.79252157e-04 2.88823736e-05 8.39161518e-05] [ 3.79252157e-04 -2.88823736e-05 8.39161518e-05] [-3.79252157e-04 2.88823735e-05 -8.39161521e-05] [ 3.79252157e-04 -2.88823740e-05 -8.39161513e-05] [ 2.51488124e-04 -3.79108027e-04 2.51428720e-04] [ 2.51488124e-04 -3.79108027e-04 -2.51428720e-04] [-2.51488124e-04 3.79108027e-04 2.51428721e-04] [-2.51488123e-04 3.79108027e-04 -2.51428721e-04] [-2.65636672e-04 -3.20235125e-04 2.36302777e-13] [-4.33653355e-04 3.78067290e-04 1.90272606e-13] [ 4.33653357e-04 -3.78067289e-04 -5.77069317e-15] [ 2.65636672e-04 3.20235124e-04 3.86387970e-14]] Final stress: [ 1.59467628e-05 -1.29903424e-05 1.59415799e-05 -6.64986255e-17 5.81862973e-17 -1.71120739e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.34966798e-06 -6.15569313e-05 -3.44433683e-14] [ 2.34966800e-06 6.15569315e-05 4.45754544e-14] [-6.09500607e-05 -4.85689544e-04 -2.05356565e-14] [ 6.09500607e-05 4.85689544e-04 1.04360964e-13] [-2.27309491e-14 1.90763204e-13 -3.23672571e-06] [-7.37188088e-14 2.73669976e-14 3.23672532e-06] [-2.34966793e-06 -6.15569315e-05 -2.27390539e-14] [ 2.34966807e-06 6.15569314e-05 -2.73992324e-14] [-6.09500607e-05 -4.85689544e-04 3.90866411e-15] [ 6.09500606e-05 4.85689544e-04 -1.41974341e-13] [-4.41443757e-15 -1.28600881e-13 -3.23672585e-06] [ 6.04204187e-15 -2.91133621e-14 3.23672563e-06] [-1.74555849e-04 5.47254291e-05 1.56214855e-04] [ 1.74555849e-04 -5.47254290e-05 1.56214855e-04] [ 1.39521106e-04 8.99449992e-05 4.71100872e-04] [-1.39521106e-04 -8.99449990e-05 4.71100872e-04] [-1.74555849e-04 5.47254292e-05 -1.56214855e-04] [ 1.74555850e-04 -5.47254289e-05 -1.56214855e-04] [-1.39521106e-04 -8.99449990e-05 -4.71100872e-04] [ 1.39521106e-04 8.99449990e-05 -4.71100872e-04] [-1.74555850e-04 5.47254290e-05 1.56214855e-04] [ 1.74555850e-04 -5.47254291e-05 1.56214855e-04] [ 1.39521106e-04 8.99449989e-05 4.71100872e-04] [-1.39521106e-04 -8.99449991e-05 4.71100872e-04] [-1.74555849e-04 5.47254290e-05 -1.56214855e-04] [ 1.74555850e-04 -5.47254291e-05 -1.56214855e-04] [-1.39521106e-04 -8.99449990e-05 -4.71100872e-04] [ 1.39521106e-04 8.99449989e-05 -4.71100872e-04] [-1.14269705e-13 5.73985304e-14 3.17107451e-13] [-1.76556686e-13 2.18810094e-13 1.54350652e-13] [ 3.58484586e-04 -1.12372865e-04 1.19098975e-05] [-3.58484586e-04 1.12372865e-04 1.19098980e-05] [ 3.58484586e-04 -1.12372865e-04 -1.19098979e-05] [-3.58484587e-04 1.12372866e-04 -1.19098984e-05] [-2.40083836e-04 3.58610581e-04 -2.40119497e-04] [-2.40083836e-04 3.58610581e-04 2.40119497e-04] [ 2.40083836e-04 -3.58610581e-04 -2.40119497e-04] [ 2.40083836e-04 -3.58610581e-04 2.40119497e-04] [ 3.68391937e-04 2.44461759e-04 2.23154828e-14] [ 3.44416098e-04 -4.69121323e-04 -1.33053291e-14] [-3.44416097e-04 4.69121324e-04 -1.89360680e-13] [-3.68391937e-04 -2.44461759e-04 7.24160315e-14] [ 3.58484586e-04 -1.12372866e-04 1.19098983e-05] [-3.58484586e-04 1.12372865e-04 1.19098980e-05] [ 3.58484586e-04 -1.12372866e-04 -1.19098982e-05] [-3.58484586e-04 1.12372865e-04 -1.19098980e-05] [-2.40083836e-04 3.58610581e-04 -2.40119497e-04] [-2.40083836e-04 3.58610581e-04 2.40119497e-04] [ 2.40083836e-04 -3.58610582e-04 -2.40119497e-04] [ 2.40083836e-04 -3.58610582e-04 2.40119497e-04] [ 3.68391937e-04 2.44461759e-04 1.68632498e-13] [ 3.44416098e-04 -4.69121323e-04 1.38330468e-13] [-3.44416098e-04 4.69121323e-04 2.05311571e-13] [-3.68391936e-04 -2.44461760e-04 3.05475263e-13]] Final stress: [-1.65561367e-05 1.28238868e-05 -1.65613202e-05 1.64596957e-16 2.66015284e-17 1.74945727e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.80375644e-04 -2.08630263e-04 -9.74068916e-14] [-5.80375644e-04 2.08630263e-04 8.12683254e-14] [-2.08160383e-04 -7.48452550e-04 5.23934195e-14] [ 2.08160383e-04 7.48452551e-04 -1.20764510e-13] [-2.03313061e-13 4.58296595e-14 5.77463954e-04] [-3.67261777e-13 3.60600438e-13 -5.77463954e-04] [ 5.80375645e-04 -2.08630263e-04 1.29749403e-13] [-5.80375643e-04 2.08630264e-04 -1.18418019e-13] [-2.08160383e-04 -7.48452550e-04 1.45058810e-13] [ 2.08160383e-04 7.48452551e-04 1.92355657e-13] [-6.37645318e-14 -1.06019735e-13 5.77463955e-04] [ 1.84421055e-13 -1.24954681e-13 -5.77463954e-04] [-1.10329862e-05 3.38148341e-04 -1.00045151e-03] [ 1.10329875e-05 -3.38148340e-04 -1.00045151e-03] [ 6.66527268e-04 -3.18155181e-04 -3.19753742e-04] [-6.66527268e-04 3.18155180e-04 -3.19753742e-04] [-1.10329863e-05 3.38148341e-04 1.00045151e-03] [ 1.10329875e-05 -3.38148340e-04 1.00045151e-03] [-6.66527268e-04 3.18155179e-04 3.19753742e-04] [ 6.66527268e-04 -3.18155180e-04 3.19753741e-04] [-1.10329870e-05 3.38148341e-04 -1.00045151e-03] [ 1.10329872e-05 -3.38148341e-04 -1.00045151e-03] [ 6.66527268e-04 -3.18155180e-04 -3.19753742e-04] [-6.66527268e-04 3.18155180e-04 -3.19753742e-04] [-1.10329868e-05 3.38148341e-04 1.00045151e-03] [ 1.10329868e-05 -3.38148341e-04 1.00045151e-03] [-6.66527268e-04 3.18155180e-04 3.19753741e-04] [ 6.66527268e-04 -3.18155180e-04 3.19753742e-04] [-4.37566650e-13 -8.05411293e-13 4.48280302e-13] [-2.09113586e-12 -1.20990958e-12 -8.77794976e-13] [-1.38063809e-03 -2.12541683e-04 -1.86404326e-04] [ 1.38063809e-03 2.12541682e-04 -1.86404325e-04] [-1.38063809e-03 -2.12541682e-04 1.86404326e-04] [ 1.38063809e-03 2.12541682e-04 1.86404325e-04] [-4.65013502e-04 -1.37982896e-03 -4.65231487e-04] [-4.65013504e-04 -1.37982896e-03 4.65231485e-04] [ 4.65013501e-04 1.37982896e-03 -4.65231488e-04] [ 4.65013504e-04 1.37982896e-03 4.65231486e-04] [-6.18320447e-04 -6.46436011e-04 -1.96065386e-13] [-2.46196067e-04 2.21596360e-04 -3.28266928e-13] [ 2.46196066e-04 -2.21596360e-04 -3.53640728e-14] [ 6.18320446e-04 6.46436011e-04 -7.01093697e-13] [-1.38063809e-03 -2.12541683e-04 -1.86404324e-04] [ 1.38063809e-03 2.12541684e-04 -1.86404324e-04] [-1.38063809e-03 -2.12541682e-04 1.86404325e-04] [ 1.38063809e-03 2.12541682e-04 1.86404325e-04] [-4.65013501e-04 -1.37982896e-03 -4.65231488e-04] [-4.65013502e-04 -1.37982896e-03 4.65231488e-04] [ 4.65013501e-04 1.37982896e-03 -4.65231487e-04] [ 4.65013502e-04 1.37982896e-03 4.65231487e-04] [-6.18320448e-04 -6.46436010e-04 9.26712796e-13] [-2.46196065e-04 2.21596362e-04 1.55120117e-12] [ 2.46196066e-04 -2.21596361e-04 8.34845776e-13] [ 6.18320447e-04 6.46436009e-04 1.45628735e-13]] Final stress: [-1.76845221e-05 3.03133482e-05 -1.77022354e-05 -1.01418327e-16 3.49145060e-17 -2.07545496e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.08907496e-03 -7.96398537e-14 -1.01927581e-13] [-6.08907496e-03 -1.59816604e-13 4.27713420e-14] [-1.39514702e-13 6.08907496e-03 1.23620732e-13] [ 2.44609888e-13 -6.08907496e-03 6.45039577e-14] [-8.36474986e-14 -1.67783322e-13 7.87382251e-03] [-4.26325641e-14 4.55746552e-14 -7.87382251e-03] [ 6.08907496e-03 -3.08598633e-13 7.98897064e-14] [-6.08907496e-03 -5.62223879e-14 -4.13344862e-14] [-8.77201957e-14 6.08907496e-03 1.76821246e-13] [ 3.26435927e-14 -6.08907496e-03 1.52128979e-13] [ 1.37469897e-13 -7.74953664e-14 7.87382251e-03] [ 3.64365222e-13 6.99225047e-16 -7.87382251e-03] [ 2.07890993e-03 2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 -2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 -2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 2.07890993e-03 1.17384767e-03] [-2.07890993e-03 -2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 -2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 2.07890993e-03 -1.17384767e-03] [ 2.07890993e-03 2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 -2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 -2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 2.07890993e-03 1.17384767e-03] [-2.07890993e-03 -2.07890993e-03 1.17384767e-03] [ 2.07890993e-03 -2.07890993e-03 -1.17384767e-03] [-2.07890993e-03 2.07890993e-03 -1.17384767e-03] [ 1.09329212e-13 -2.49827936e-13 -1.71695991e-13] [-2.43703061e-13 2.62352172e-13 -7.42921566e-14] [ 1.45661261e-13 1.82985306e-03 1.25994919e-03] [ 3.28244376e-14 -1.82985306e-03 1.25994919e-03] [-2.00981592e-13 1.82985306e-03 -1.25994919e-03] [ 1.29282002e-13 -1.82985306e-03 -1.25994919e-03] [ 1.82985306e-03 1.66089364e-13 1.25994919e-03] [ 1.82985306e-03 1.34007389e-13 -1.25994919e-03] [-1.82985306e-03 2.19695789e-13 1.25994919e-03] [-1.82985306e-03 2.28006850e-13 -1.25994919e-03] [ 4.96698844e-03 4.96698844e-03 -1.92623695e-13] [-4.96698844e-03 4.96698844e-03 -1.15475338e-13] [ 4.96698844e-03 -4.96698844e-03 -5.70932190e-14] [-4.96698844e-03 -4.96698844e-03 -7.78457160e-14] [-4.09381730e-14 1.82985306e-03 1.25994919e-03] [ 9.47948317e-14 -1.82985307e-03 1.25994919e-03] [-1.27151328e-13 1.82985306e-03 -1.25994919e-03] [-9.31013079e-14 -1.82985307e-03 -1.25994919e-03] [ 1.82985306e-03 7.22363689e-14 1.25994919e-03] [ 1.82985306e-03 2.79654772e-14 -1.25994919e-03] [-1.82985306e-03 8.54975812e-14 1.25994919e-03] [-1.82985306e-03 -1.79301018e-14 -1.25994919e-03] [ 4.96698844e-03 4.96698844e-03 -2.12799076e-13] [-4.96698844e-03 4.96698844e-03 -6.34379092e-14] [ 4.96698844e-03 -4.96698844e-03 -1.59411567e-13] [-4.96698844e-03 -4.96698844e-03 1.75273424e-13]] Final stress: [ 4.56955997e-05 4.56955997e-05 -2.68900215e-04 -2.31073697e-16 -1.31329655e-16 -1.15370609e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.95670727e-03 -8.05796402e-14 4.77898970e-14] [ 3.95670727e-03 -1.41497924e-13 1.40193412e-13] [ 6.17492169e-14 -3.95670727e-03 2.64120323e-14] [ 3.66817687e-13 3.95670727e-03 4.97102359e-14] [ 1.85511329e-14 -2.49590279e-13 -5.89691683e-03] [ 6.44206910e-14 -2.37504461e-13 5.89691683e-03] [-3.95670727e-03 -4.99916948e-14 7.38338735e-14] [ 3.95670727e-03 -6.34158524e-14 1.96619725e-13] [ 2.27180254e-13 -3.95670727e-03 -1.15761632e-13] [ 1.02305317e-14 3.95670727e-03 -9.09296279e-14] [ 3.05259290e-14 -2.25895704e-13 -5.89691683e-03] [-1.79738602e-13 -2.45705032e-13 5.89691683e-03] [-1.91826647e-03 -1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 -1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 -1.91826647e-03 -1.15052292e-03] [ 1.91826647e-03 1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 -1.91826647e-03 1.15052292e-03] [-1.91826647e-03 -1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 -1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 -1.91826647e-03 -1.15052292e-03] [ 1.91826647e-03 1.91826647e-03 -1.15052292e-03] [-1.91826647e-03 1.91826647e-03 1.15052292e-03] [ 1.91826647e-03 -1.91826647e-03 1.15052292e-03] [-3.98348021e-13 1.06026299e-13 2.30371278e-15] [-2.62741218e-14 2.09314628e-13 -1.59423618e-13] [ 1.26010313e-13 -6.98848938e-04 -1.59728799e-03] [ 1.17740886e-13 6.98848938e-04 -1.59728799e-03] [-7.07559011e-14 -6.98848938e-04 1.59728799e-03] [-8.90329477e-14 6.98848938e-04 1.59728799e-03] [-6.98848938e-04 -2.13495888e-13 -1.59728799e-03] [-6.98848939e-04 -1.39286152e-13 1.59728799e-03] [ 6.98848939e-04 3.10442644e-13 -1.59728799e-03] [ 6.98848939e-04 -1.87754326e-13 1.59728799e-03] [-4.44813381e-03 -4.44813381e-03 -5.85087534e-14] [ 4.44813381e-03 -4.44813381e-03 -1.09374315e-14] [-4.44813381e-03 4.44813381e-03 -4.01866040e-14] [ 4.44813381e-03 4.44813381e-03 1.32290012e-13] [-5.68013518e-14 -6.98848939e-04 -1.59728799e-03] [-3.66733553e-14 6.98848939e-04 -1.59728799e-03] [-7.49070944e-14 -6.98848939e-04 1.59728799e-03] [ 6.74985241e-14 6.98848939e-04 1.59728799e-03] [-6.98848938e-04 3.99767108e-13 -1.59728799e-03] [-6.98848938e-04 2.02304753e-13 1.59728799e-03] [ 6.98848939e-04 1.55128081e-13 -1.59728799e-03] [ 6.98848938e-04 -1.03012650e-13 1.59728799e-03] [-4.44813381e-03 -4.44813381e-03 -1.72488310e-13] [ 4.44813381e-03 -4.44813381e-03 -2.16695402e-13] [-4.44813381e-03 4.44813381e-03 -2.23949538e-13] [ 4.44813381e-03 4.44813381e-03 -1.37351068e-13]] Final stress: [-3.67105663e-05 -3.67105663e-05 2.23937517e-04 -1.19711554e-16 2.32772466e-17 -1.01422289e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.28283788e-05 8.03645345e-14 7.63529864e-14] [ 5.28283784e-05 1.67033054e-13 8.57647287e-15] [ 2.90054439e-14 -5.18939024e-05 -9.21665405e-05] [-3.31401573e-14 5.18939026e-05 9.21665405e-05] [ 4.66965876e-14 -9.27847030e-05 4.55435905e-04] [ 5.31796829e-14 9.27847028e-05 -4.55435906e-04] [-5.28283785e-05 -3.86413991e-14 2.07204711e-14] [ 5.28283787e-05 -1.75204903e-13 1.99550095e-14] [-9.07217010e-14 -5.18939023e-05 -9.21665406e-05] [ 3.56607105e-14 5.18939022e-05 9.21665406e-05] [-7.03599505e-14 -9.27847026e-05 4.55435906e-04] [-1.54701772e-13 9.27847029e-05 -4.55435906e-04] [ 4.37656620e-04 1.32735058e-04 -8.54899886e-05] [ 1.21679728e-04 -1.84081832e-04 -3.44162460e-05] [ 1.21679728e-04 1.84081832e-04 3.44162460e-05] [ 4.37656621e-04 -1.32735058e-04 8.54899887e-05] [-1.21679728e-04 1.84081832e-04 3.44162457e-05] [-4.37656621e-04 -1.32735058e-04 8.54899887e-05] [-1.21679728e-04 -1.84081832e-04 -3.44162458e-05] [-4.37656620e-04 1.32735058e-04 -8.54899886e-05] [ 4.37656621e-04 1.32735058e-04 -8.54899888e-05] [ 1.21679728e-04 -1.84081832e-04 -3.44162459e-05] [ 1.21679728e-04 1.84081832e-04 3.44162458e-05] [ 4.37656621e-04 -1.32735058e-04 8.54899885e-05] [-1.21679728e-04 1.84081832e-04 3.44162460e-05] [-4.37656621e-04 -1.32735058e-04 8.54899883e-05] [-1.21679728e-04 -1.84081832e-04 -3.44162459e-05] [-4.37656621e-04 1.32735058e-04 -8.54899887e-05] [ 3.87440080e-13 -9.96425165e-15 7.85344012e-13] [-3.99612201e-13 2.51174594e-13 -1.62044776e-13] [ 5.22915045e-14 4.41695296e-04 3.58687954e-04] [ 4.85764207e-13 2.39827653e-04 -3.21750878e-04] [-4.28991911e-13 -2.39827653e-04 3.21750878e-04] [ 1.76109127e-13 -4.41695296e-04 -3.58687954e-04] [ 1.00844548e-04 4.00520983e-04 1.84375092e-05] [ 1.00844549e-04 -4.00520983e-04 -1.84375086e-05] [-1.00844549e-04 4.00520982e-04 1.84375082e-05] [-1.00844548e-04 -4.00520983e-04 -1.84375084e-05] [ 2.53466803e-04 2.53525924e-04 4.00356713e-04] [-2.53466803e-04 2.53525924e-04 4.00356713e-04] [ 2.53466803e-04 -2.53525924e-04 -4.00356713e-04] [-2.53466803e-04 -2.53525924e-04 -4.00356712e-04] [ 3.25039475e-14 4.41695297e-04 3.58687953e-04] [ 8.12874074e-14 2.39827652e-04 -3.21750879e-04] [ 7.80277318e-13 -2.39827653e-04 3.21750879e-04] [ 2.87451053e-13 -4.41695297e-04 -3.58687954e-04] [ 1.00844548e-04 4.00520982e-04 1.84375090e-05] [ 1.00844548e-04 -4.00520983e-04 -1.84375095e-05] [-1.00844548e-04 4.00520983e-04 1.84375093e-05] [-1.00844548e-04 -4.00520983e-04 -1.84375088e-05] [ 2.53466803e-04 2.53525924e-04 4.00356713e-04] [-2.53466804e-04 2.53525923e-04 4.00356712e-04] [ 2.53466804e-04 -2.53525923e-04 -4.00356712e-04] [-2.53466803e-04 -2.53525924e-04 -4.00356713e-04]] Final stress: [ 1.58655478e-05 1.58706040e-05 -1.30272735e-05 1.71770163e-05 1.64584098e-16 -8.31232819e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.11118347e-05 -6.02651609e-14 -1.69838102e-14] [ 2.11118344e-05 -4.76840789e-14 4.46864767e-14] [ 1.06183725e-13 -2.02159560e-05 9.95330494e-05] [ 1.02057252e-13 2.02159558e-05 -9.95330494e-05] [ 6.71836718e-14 1.00177543e-04 4.66337491e-04] [ 5.44009282e-14 -1.00177543e-04 -4.66337491e-04] [-2.11118343e-05 6.41782634e-14 1.31844569e-15] [ 2.11118346e-05 -2.26567896e-14 -1.13054935e-13] [-7.62220148e-14 -2.02159556e-05 9.95330493e-05] [-6.53804268e-14 2.02159561e-05 -9.95330493e-05] [-9.92899339e-14 1.00177543e-04 4.66337491e-04] [ 2.63777715e-14 -1.00177543e-04 -4.66337491e-04] [-1.28114594e-04 1.69030136e-04 -5.35263232e-05] [-4.39769124e-04 -1.43419939e-04 -7.88644201e-05] [-4.39769125e-04 1.43419939e-04 7.88644200e-05] [-1.28114594e-04 -1.69030137e-04 5.35263233e-05] [ 4.39769125e-04 1.43419939e-04 7.88644198e-05] [ 1.28114594e-04 -1.69030136e-04 5.35263234e-05] [ 4.39769124e-04 -1.43419940e-04 -7.88644199e-05] [ 1.28114594e-04 1.69030136e-04 -5.35263232e-05] [-1.28114594e-04 1.69030136e-04 -5.35263234e-05] [-4.39769124e-04 -1.43419939e-04 -7.88644199e-05] [-4.39769125e-04 1.43419940e-04 7.88644198e-05] [-1.28114594e-04 -1.69030136e-04 5.35263233e-05] [ 4.39769124e-04 1.43419939e-04 7.88644201e-05] [ 1.28114594e-04 -1.69030136e-04 5.35263231e-05] [ 4.39769124e-04 -1.43419939e-04 -7.88644201e-05] [ 1.28114594e-04 1.69030136e-04 -5.35263231e-05] [ 4.95048447e-13 -1.21236354e-13 2.44526621e-14] [-3.18506940e-13 -2.63914419e-13 2.60900113e-13] [-6.95998814e-13 -2.79565030e-04 -3.19404215e-04] [-9.88324006e-14 -4.29291469e-04 3.88516690e-04] [-2.89136770e-13 4.29291469e-04 -3.88516690e-04] [ 2.41997394e-13 2.79565030e-04 3.19404215e-04] [ 7.47694183e-05 -3.67748231e-04 3.45211073e-05] [ 7.47694174e-05 3.67748231e-04 -3.45211082e-05] [-7.47694186e-05 -3.67748231e-04 3.45211069e-05] [-7.47694173e-05 3.67748231e-04 -3.45211081e-05] [ 2.50318295e-04 2.50377916e-04 -3.67614938e-04] [-2.50318296e-04 2.50377916e-04 -3.67614939e-04] [ 2.50318295e-04 -2.50377916e-04 3.67614939e-04] [-2.50318296e-04 -2.50377916e-04 3.67614938e-04] [ 2.75128878e-13 -2.79565030e-04 -3.19404215e-04] [ 1.17666727e-13 -4.29291469e-04 3.88516690e-04] [ 1.41237282e-13 4.29291470e-04 -3.88516689e-04] [ 1.32293915e-13 2.79565028e-04 3.19404216e-04] [ 7.47694171e-05 -3.67748231e-04 3.45211085e-05] [ 7.47694173e-05 3.67748231e-04 -3.45211081e-05] [-7.47694172e-05 -3.67748231e-04 3.45211085e-05] [-7.47694166e-05 3.67748232e-04 -3.45211091e-05] [ 2.50318296e-04 2.50377915e-04 -3.67614938e-04] [-2.50318297e-04 2.50377915e-04 -3.67614938e-04] [ 2.50318297e-04 -2.50377915e-04 3.67614938e-04] [-2.50318296e-04 -2.50377916e-04 3.67614938e-04]] Final stress: [ 1.59825447e-05 1.59877986e-05 -1.29696967e-05 -1.70770313e-05 -2.82619158e-17 7.31484881e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.55276020e-06 1.28647093e-13 9.06826697e-15] [ 3.55276021e-06 9.27036226e-15 2.69229083e-15] [ 2.47926679e-14 -2.69236004e-06 -1.05108330e-04] [ 1.35974565e-13 2.69236022e-06 1.05108330e-04] [ 9.49826155e-14 -1.04471336e-04 -4.73129141e-04] [ 1.42108547e-14 1.04471336e-04 4.73129141e-04] [-3.55276052e-06 -2.75612866e-14 -4.92962842e-14] [ 3.55276030e-06 3.08655011e-14 -1.81483806e-14] [ 6.86213239e-15 -2.69236052e-06 -1.05108330e-04] [-5.24610737e-14 2.69236001e-06 1.05108330e-04] [-4.13414962e-14 -1.04471336e-04 -4.73129141e-04] [-4.29586922e-14 1.04471336e-04 4.73129141e-04] [ 1.28480252e-04 -1.61115972e-04 6.42387367e-05] [ 4.42393542e-04 1.52033308e-04 7.35925299e-05] [ 4.42393543e-04 -1.52033308e-04 -7.35925297e-05] [ 1.28480252e-04 1.61115972e-04 -6.42387368e-05] [-4.42393543e-04 -1.52033308e-04 -7.35925297e-05] [-1.28480252e-04 1.61115972e-04 -6.42387368e-05] [-4.42393542e-04 1.52033308e-04 7.35925299e-05] [-1.28480252e-04 -1.61115972e-04 6.42387367e-05] [ 1.28480252e-04 -1.61115972e-04 6.42387366e-05] [ 4.42393542e-04 1.52033308e-04 7.35925297e-05] [ 4.42393542e-04 -1.52033308e-04 -7.35925299e-05] [ 1.28480252e-04 1.61115972e-04 -6.42387368e-05] [-4.42393543e-04 -1.52033308e-04 -7.35925298e-05] [-1.28480252e-04 1.61115972e-04 -6.42387369e-05] [-4.42393543e-04 1.52033308e-04 7.35925297e-05] [-1.28480252e-04 -1.61115972e-04 6.42387367e-05] [ 3.50691698e-13 1.86517468e-14 4.12780921e-13] [ 4.14473143e-14 4.73456416e-13 -1.73300144e-13] [ 3.30513394e-13 2.98106230e-04 3.18780485e-04] [ 2.10711656e-13 4.22704197e-04 -4.02909531e-04] [ 1.04307188e-13 -4.22704198e-04 4.02909530e-04] [-1.02255010e-13 -2.98106230e-04 -3.18780485e-04] [-6.23892823e-05 3.44595432e-04 -4.20956079e-05] [-6.23892838e-05 -3.44595432e-04 4.20956068e-05] [ 6.23892819e-05 3.44595432e-04 -4.20956087e-05] [ 6.23892835e-05 -3.44595432e-04 4.20956074e-05] [-2.49378306e-04 -2.49318360e-04 3.44719830e-04] [ 2.49378306e-04 -2.49318360e-04 3.44719830e-04] [-2.49378306e-04 2.49318360e-04 -3.44719831e-04] [ 2.49378306e-04 2.49318360e-04 -3.44719831e-04] [-1.06872410e-13 2.98106229e-04 3.18780486e-04] [ 1.38250956e-13 4.22704198e-04 -4.02909530e-04] [ 7.66543946e-14 -4.22704197e-04 4.02909531e-04] [ 2.58365378e-13 -2.98106231e-04 -3.18780484e-04] [-6.23892832e-05 3.44595432e-04 -4.20956075e-05] [-6.23892830e-05 -3.44595433e-04 4.20956076e-05] [ 6.23892833e-05 3.44595432e-04 -4.20956075e-05] [ 6.23892825e-05 -3.44595433e-04 4.20956082e-05] [-2.49378306e-04 -2.49318360e-04 3.44719831e-04] [ 2.49378306e-04 -2.49318360e-04 3.44719831e-04] [-2.49378306e-04 2.49318361e-04 -3.44719830e-04] [ 2.49378306e-04 2.49318360e-04 -3.44719830e-04]] Final stress: [-1.63027228e-05 -1.62976546e-05 1.26182743e-05 1.70291307e-05 1.49633597e-17 -4.98778657e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.55276134e-06 1.11143733e-13 -2.44760809e-14] [ 3.55276111e-06 7.09710068e-14 1.77635684e-15] [ 1.35564303e-14 -2.69236095e-06 1.05108325e-04] [ 3.23907567e-14 2.69236126e-06 -1.05108325e-04] [-9.98762704e-14 1.04471331e-04 -4.73129142e-04] [-1.09051657e-13 -1.04471331e-04 4.73129142e-04] [-3.55276109e-06 -4.22552618e-14 1.25701920e-14] [ 3.55276108e-06 -1.16399945e-14 -4.07499451e-15] [-5.83474241e-15 -2.69236063e-06 1.05108325e-04] [-5.76249118e-14 2.69236128e-06 -1.05108325e-04] [ 3.46328868e-14 1.04471331e-04 -4.73129142e-04] [ 5.49074675e-14 -1.04471331e-04 4.73129142e-04] [-4.42393545e-04 -1.52033307e-04 7.35925314e-05] [-1.28480256e-04 1.61115974e-04 6.42387357e-05] [-1.28480256e-04 -1.61115973e-04 -6.42387360e-05] [-4.42393546e-04 1.52033307e-04 -7.35925313e-05] [ 1.28480256e-04 -1.61115973e-04 -6.42387361e-05] [ 4.42393545e-04 1.52033307e-04 -7.35925313e-05] [ 1.28480256e-04 1.61115974e-04 6.42387357e-05] [ 4.42393545e-04 -1.52033307e-04 7.35925313e-05] [-4.42393546e-04 -1.52033307e-04 7.35925314e-05] [-1.28480256e-04 1.61115973e-04 6.42387361e-05] [-1.28480256e-04 -1.61115974e-04 -6.42387359e-05] [-4.42393546e-04 1.52033307e-04 -7.35925314e-05] [ 1.28480256e-04 -1.61115973e-04 -6.42387358e-05] [ 4.42393546e-04 1.52033307e-04 -7.35925315e-05] [ 1.28480256e-04 1.61115973e-04 6.42387357e-05] [ 4.42393546e-04 -1.52033307e-04 7.35925315e-05] [ 1.56069602e-13 -4.94881913e-14 1.04249942e-13] [ 1.01727220e-13 -7.73458293e-13 1.32861337e-13] [ 1.58095759e-13 -4.22704195e-04 -4.02909531e-04] [-1.20719407e-13 -2.98106233e-04 3.18780483e-04] [ 3.00906869e-13 2.98106233e-04 -3.18780483e-04] [-3.55229735e-13 4.22704194e-04 4.02909532e-04] [-6.23892799e-05 -3.44595433e-04 -4.20956097e-05] [-6.23892798e-05 3.44595433e-04 4.20956099e-05] [ 6.23892797e-05 -3.44595433e-04 -4.20956103e-05] [ 6.23892798e-05 3.44595433e-04 4.20956101e-05] [-2.49378306e-04 -2.49318359e-04 -3.44719831e-04] [ 2.49378306e-04 -2.49318359e-04 -3.44719831e-04] [-2.49378306e-04 2.49318359e-04 3.44719832e-04] [ 2.49378306e-04 2.49318359e-04 3.44719831e-04] [ 4.03626785e-14 -4.22704194e-04 -4.02909532e-04] [ 2.09366812e-13 -2.98106234e-04 3.18780482e-04] [ 1.58155607e-13 2.98106233e-04 -3.18780483e-04] [ 3.25582009e-13 4.22704194e-04 4.02909532e-04] [-6.23892800e-05 -3.44595433e-04 -4.20956094e-05] [-6.23892806e-05 3.44595433e-04 4.20956090e-05] [ 6.23892802e-05 -3.44595434e-04 -4.20956094e-05] [ 6.23892807e-05 3.44595433e-04 4.20956091e-05] [-2.49378305e-04 -2.49318360e-04 -3.44719831e-04] [ 2.49378306e-04 -2.49318359e-04 -3.44719831e-04] [-2.49378305e-04 2.49318360e-04 3.44719831e-04] [ 2.49378305e-04 2.49318360e-04 3.44719831e-04]] Final stress: [-1.63027229e-05 -1.62976546e-05 1.26182743e-05 -1.70291308e-05 -2.66015284e-17 9.14427538e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.24202773e-05 7.82360288e-14 -9.90209700e-05] [ 2.24202772e-05 -6.46149800e-14 9.90209699e-05] [-1.97771487e-14 -2.33188419e-05 -5.75190937e-15] [ 6.29774011e-14 2.33188418e-05 -4.98212582e-14] [-9.96636404e-05 2.71787801e-14 4.65582341e-04] [ 9.96636402e-05 6.10622664e-15 -4.65582342e-04] [-2.24202771e-05 -6.89344415e-14 -9.90209701e-05] [ 2.24202774e-05 7.25196812e-14 9.90209699e-05] [ 1.22558214e-15 -2.33188416e-05 5.22484588e-14] [-5.23921184e-14 2.33188418e-05 -2.55291811e-14] [-9.96636402e-05 -5.47036592e-14 4.65582342e-04] [ 9.96636402e-05 3.41182941e-14 -4.65582342e-04] [ 1.42677394e-04 4.39625539e-04 -7.93259247e-05] [-1.70078796e-04 1.27667995e-04 -5.21966997e-05] [-1.42677393e-04 4.39625538e-04 7.93259249e-05] [ 1.70078796e-04 1.27667996e-04 5.21966996e-05] [ 1.70078796e-04 -1.27667996e-04 5.21966997e-05] [-1.42677393e-04 -4.39625538e-04 7.93259249e-05] [ 1.42677394e-04 -4.39625539e-04 -7.93259247e-05] [-1.70078796e-04 -1.27667995e-04 -5.21966996e-05] [ 1.42677394e-04 4.39625538e-04 -7.93259249e-05] [-1.70078796e-04 1.27667996e-04 -5.21966997e-05] [-1.42677394e-04 4.39625539e-04 7.93259248e-05] [ 1.70078797e-04 1.27667995e-04 5.21966996e-05] [ 1.70078797e-04 -1.27667995e-04 5.21966996e-05] [-1.42677394e-04 -4.39625539e-04 7.93259247e-05] [ 1.42677394e-04 -4.39625538e-04 -7.93259249e-05] [-1.70078796e-04 -1.27667996e-04 -5.21966998e-05] [-1.86739513e-13 7.44682094e-14 8.25839397e-13] [-2.14695883e-13 -1.22579881e-13 -8.62370328e-13] [ 3.70031673e-04 7.65844617e-05 3.34024411e-05] [ 3.70031673e-04 -7.65844615e-05 3.34024414e-05] [-3.70031673e-04 7.65844616e-05 -3.34024409e-05] [-3.70031674e-04 -7.65844612e-05 -3.34024414e-05] [ 4.30157964e-04 -3.54161145e-13 3.86444359e-04] [-2.76802082e-04 4.70318229e-14 3.19569777e-04] [ 2.76802081e-04 3.39190481e-14 -3.19569777e-04] [-4.30157964e-04 -6.02989880e-14 -3.86444359e-04] [ 2.50598730e-04 2.50539158e-04 3.69896233e-04] [-2.50598730e-04 2.50539158e-04 -3.69896233e-04] [ 2.50598730e-04 -2.50539158e-04 3.69896232e-04] [-2.50598730e-04 -2.50539158e-04 -3.69896233e-04] [ 3.70031673e-04 7.65844611e-05 3.34024414e-05] [ 3.70031674e-04 -7.65844613e-05 3.34024414e-05] [-3.70031673e-04 7.65844616e-05 -3.34024410e-05] [-3.70031673e-04 -7.65844613e-05 -3.34024414e-05] [ 4.30157964e-04 -1.15811310e-13 3.86444358e-04] [-2.76802081e-04 4.58411521e-14 3.19569778e-04] [ 2.76802081e-04 -2.38387435e-13 -3.19569777e-04] [-4.30157964e-04 -2.48647890e-13 -3.86444359e-04] [ 2.50598730e-04 2.50539158e-04 3.69896233e-04] [-2.50598730e-04 2.50539158e-04 -3.69896232e-04] [ 2.50598730e-04 -2.50539158e-04 3.69896233e-04] [-2.50598730e-04 -2.50539158e-04 -3.69896232e-04]] Final stress: [ 1.59796620e-05 1.59744224e-05 -1.29738320e-05 -3.49117784e-17 1.70839823e-05 -9.64230070e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.90859845e-05 9.82226453e-14 9.74720046e-05] [ 2.90859841e-05 9.04831765e-14 -9.74720047e-05] [-1.06689831e-13 -2.99926707e-05 9.50628465e-16] [-2.35367281e-14 2.99926710e-05 -1.01585407e-14] [ 9.81091525e-05 7.66006182e-14 4.63295699e-04] [-9.81091526e-05 4.08562073e-14 -4.63295699e-04] [-2.90859840e-05 -8.33439220e-14 9.74720046e-05] [ 2.90859844e-05 -9.10990033e-15 -9.74720046e-05] [ 8.32324661e-14 -2.99926708e-05 -5.32111095e-14] [-1.15059871e-14 2.99926706e-05 -6.71911461e-14] [ 9.81091527e-05 -3.11990405e-14 4.63295699e-04] [-9.81091527e-05 -1.37388399e-14 -4.63295699e-04] [ 1.73248701e-04 -1.26316448e-04 -4.81758736e-05] [-1.40431112e-04 -4.39188240e-04 -8.07210618e-05] [-1.73248700e-04 -1.26316448e-04 4.81758736e-05] [ 1.40431112e-04 -4.39188240e-04 8.07210619e-05] [ 1.40431112e-04 4.39188240e-04 8.07210618e-05] [-1.73248701e-04 1.26316448e-04 4.81758736e-05] [ 1.73248700e-04 1.26316448e-04 -4.81758735e-05] [-1.40431112e-04 4.39188240e-04 -8.07210620e-05] [ 1.73248700e-04 -1.26316448e-04 -4.81758735e-05] [-1.40431112e-04 -4.39188240e-04 -8.07210617e-05] [-1.73248700e-04 -1.26316448e-04 4.81758735e-05] [ 1.40431112e-04 -4.39188240e-04 8.07210620e-05] [ 1.40431112e-04 4.39188240e-04 8.07210620e-05] [-1.73248700e-04 1.26316448e-04 4.81758736e-05] [ 1.73248700e-04 1.26316448e-04 -4.81758735e-05] [-1.40431112e-04 4.39188240e-04 -8.07210618e-05] [ 2.14717133e-13 -3.97737399e-14 -4.65461003e-14] [-1.08273633e-13 1.16402411e-13 -4.34896753e-14] [-3.76933961e-04 8.20724272e-05 3.00192583e-05] [-3.76933961e-04 -8.20724272e-05 3.00192583e-05] [ 3.76933961e-04 8.20724274e-05 -3.00192583e-05] [ 3.76933960e-04 -8.20724270e-05 -3.00192586e-05] [-2.68445184e-04 -1.69864123e-14 -3.20068308e-04] [ 4.32775065e-04 1.21297070e-13 -3.80174819e-04] [-4.32775065e-04 4.08978407e-14 3.80174819e-04] [ 2.68445184e-04 3.92840274e-13 3.20068308e-04] [ 2.51264854e-04 2.51205412e-04 -3.76792018e-04] [-2.51264854e-04 2.51205411e-04 3.76792018e-04] [ 2.51264854e-04 -2.51205411e-04 -3.76792018e-04] [-2.51264854e-04 -2.51205411e-04 3.76792017e-04] [-3.76933961e-04 8.20724270e-05 3.00192587e-05] [-3.76933961e-04 -8.20724276e-05 3.00192581e-05] [ 3.76933961e-04 8.20724273e-05 -3.00192582e-05] [ 3.76933961e-04 -8.20724274e-05 -3.00192583e-05] [-2.68445184e-04 -4.21652410e-14 -3.20068308e-04] [ 4.32775065e-04 9.73576688e-14 -3.80174819e-04] [-4.32775065e-04 -4.31658181e-13 3.80174819e-04] [ 2.68445185e-04 -3.62748460e-13 3.20068308e-04] [ 2.51264854e-04 2.51205411e-04 -3.76792017e-04] [-2.51264854e-04 2.51205412e-04 3.76792018e-04] [ 2.51264854e-04 -2.51205412e-04 -3.76792017e-04] [-2.51264854e-04 -2.51205412e-04 3.76792018e-04]] Final stress: [ 1.59550409e-05 1.59498438e-05 -1.29862198e-05 1.08060266e-16 -1.71050075e-05 -2.99243815e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.03537203e-05 1.68636806e-14 -3.15444542e-05] [-9.03537204e-05 -5.25135491e-14 3.15444543e-05] [-1.02489631e-13 8.93513438e-05 6.31395977e-14] [ 5.56221735e-14 -8.93513438e-05 9.43412015e-14] [-3.10207503e-05 -4.75296885e-14 -4.54138555e-04] [ 3.10207503e-05 4.52415883e-15 4.54138555e-04] [ 9.03537204e-05 -1.50933953e-14 -3.15444542e-05] [-9.03537204e-05 7.67862336e-14 3.15444543e-05] [ 2.68847444e-14 8.93513441e-05 -7.38795023e-14] [-1.87493250e-14 -8.93513435e-05 -9.23106455e-14] [-3.10207505e-05 7.03428285e-14 -4.54138555e-04] [ 3.10207502e-05 -2.27641907e-15 4.54138555e-04] [-2.20079073e-04 1.43220763e-04 -1.83738952e-06] [ 1.06772976e-04 4.71016316e-04 1.11636066e-04] [ 2.20079074e-04 1.43220762e-04 1.83738941e-06] [-1.06772976e-04 4.71016315e-04 -1.11636066e-04] [-1.06772976e-04 -4.71016315e-04 -1.11636066e-04] [ 2.20079074e-04 -1.43220763e-04 1.83738950e-06] [-2.20079074e-04 -1.43220763e-04 -1.83738971e-06] [ 1.06772976e-04 -4.71016315e-04 1.11636066e-04] [-2.20079074e-04 1.43220763e-04 -1.83738963e-06] [ 1.06772976e-04 4.71016315e-04 1.11636066e-04] [ 2.20079074e-04 1.43220763e-04 1.83738945e-06] [-1.06772976e-04 4.71016315e-04 -1.11636066e-04] [-1.06772976e-04 -4.71016316e-04 -1.11636066e-04] [ 2.20079074e-04 -1.43220763e-04 1.83738944e-06] [-2.20079074e-04 -1.43220762e-04 -1.83738963e-06] [ 1.06772976e-04 -4.71016316e-04 1.11636066e-04] [-1.06276099e-13 -5.20972154e-14 6.80899781e-13] [-1.29474990e-13 -3.10899309e-13 1.45212662e-13] [ 4.54106002e-04 -4.91144305e-05 -7.97736289e-05] [ 4.54106001e-04 4.91144299e-05 -7.97736296e-05] [-4.54106001e-04 -4.91144307e-05 7.97736287e-05] [-4.54106001e-04 4.91144303e-05 7.97736292e-05] [ 2.67190414e-04 -3.78030940e-13 2.37092613e-04] [-3.65291559e-04 -3.39867023e-13 3.96571349e-04] [ 3.65291559e-04 -2.14817747e-13 -3.96571349e-04] [-2.67190415e-04 -2.92803976e-13 -2.37092612e-04] [-2.47587139e-04 -2.47617562e-04 4.54322277e-04] [ 2.47587139e-04 -2.47617562e-04 -4.54322276e-04] [-2.47587139e-04 2.47617563e-04 4.54322277e-04] [ 2.47587140e-04 2.47617561e-04 -4.54322277e-04] [ 4.54106001e-04 -4.91144302e-05 -7.97736292e-05] [ 4.54106001e-04 4.91144303e-05 -7.97736290e-05] [-4.54106002e-04 -4.91144304e-05 7.97736290e-05] [-4.54106001e-04 4.91144308e-05 7.97736287e-05] [ 2.67190414e-04 5.36770491e-13 2.37092613e-04] [-3.65291559e-04 2.74738348e-13 3.96571348e-04] [ 3.65291559e-04 -1.65905917e-13 -3.96571349e-04] [-2.67190415e-04 6.90341881e-14 -2.37092612e-04] [-2.47587140e-04 -2.47617562e-04 4.54322277e-04] [ 2.47587140e-04 -2.47617561e-04 -4.54322276e-04] [-2.47587139e-04 2.47617562e-04 4.54322277e-04] [ 2.47587139e-04 2.47617562e-04 -4.54322276e-04]] Final stress: [-1.62620033e-05 -1.62667255e-05 1.30230578e-05 -5.48656523e-17 1.78744453e-05 -1.66259552e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.56267526e-06 7.90253279e-14 9.71088079e-05] [ 3.56267500e-06 -5.47062395e-14 -9.71088080e-05] [-5.06309404e-14 -4.42706358e-06 -2.19702728e-15] [ 1.84852134e-14 4.42706377e-06 -1.37029277e-13] [ 9.64772688e-05 -1.07349893e-13 -4.75393282e-04] [-9.64772688e-05 -2.51743071e-14 4.75393282e-04] [-3.56267453e-06 -3.53497613e-14 9.71088080e-05] [ 3.56267517e-06 -7.25504726e-15 -9.71088079e-05] [ 2.85357675e-14 -4.42706409e-06 -3.61769695e-15] [-4.33793626e-14 4.42706409e-06 4.92541443e-14] [ 9.64772689e-05 1.17217839e-13 -4.75393282e-04] [-9.64772690e-05 -1.61129561e-14 4.75393282e-04] [-1.49888197e-04 -4.47690124e-04 7.64098013e-05] [ 1.63230377e-04 -1.33800350e-04 6.28120042e-05] [ 1.49888197e-04 -4.47690124e-04 -7.64098011e-05] [-1.63230377e-04 -1.33800350e-04 -6.28120043e-05] [-1.63230377e-04 1.33800350e-04 -6.28120045e-05] [ 1.49888197e-04 4.47690124e-04 -7.64098010e-05] [-1.49888197e-04 4.47690124e-04 7.64098013e-05] [ 1.63230377e-04 1.33800350e-04 6.28120042e-05] [-1.49888197e-04 -4.47690124e-04 7.64098013e-05] [ 1.63230377e-04 -1.33800350e-04 6.28120043e-05] [ 1.49888197e-04 -4.47690124e-04 -7.64098012e-05] [-1.63230377e-04 -1.33800350e-04 -6.28120042e-05] [-1.63230377e-04 1.33800350e-04 -6.28120041e-05] [ 1.49888197e-04 4.47690124e-04 -7.64098012e-05] [-1.49888197e-04 4.47690124e-04 7.64098012e-05] [ 1.63230377e-04 1.33800350e-04 6.28120043e-05] [ 2.40946152e-13 -1.92901251e-13 1.82104332e-13] [-7.63205471e-13 -1.26581214e-13 1.40751754e-13] [-3.46306650e-04 -5.15893059e-05 -5.16838100e-05] [-3.46306650e-04 5.15893052e-05 -5.16838105e-05] [ 3.46306650e-04 -5.15893061e-05 5.16838098e-05] [ 3.46306650e-04 5.15893057e-05 5.16838101e-05] [-4.11449633e-04 -2.65454325e-13 -4.12032661e-04] [ 3.08448107e-04 -2.06902204e-13 -3.08731083e-04] [-3.08448107e-04 -1.07962250e-13 3.08731082e-04] [ 4.11449633e-04 1.72634476e-13 4.12032661e-04] [-2.47742762e-04 -2.47799011e-04 -3.46432120e-04] [ 2.47742761e-04 -2.47799012e-04 3.46432120e-04] [-2.47742761e-04 2.47799012e-04 -3.46432120e-04] [ 2.47742761e-04 2.47799012e-04 3.46432120e-04] [-3.46306650e-04 -5.15893052e-05 -5.16838105e-05] [-3.46306650e-04 5.15893047e-05 -5.16838107e-05] [ 3.46306650e-04 -5.15893048e-05 5.16838109e-05] [ 3.46306651e-04 5.15893049e-05 5.16838106e-05] [-4.11449634e-04 -1.02718391e-14 -4.12032661e-04] [ 3.08448106e-04 2.43636058e-13 -3.08731083e-04] [-3.08448105e-04 -3.30917151e-13 3.08731084e-04] [ 4.11449634e-04 -1.13096598e-13 4.12032661e-04] [-2.47742761e-04 -2.47799012e-04 -3.46432120e-04] [ 2.47742761e-04 -2.47799012e-04 3.46432120e-04] [-2.47742760e-04 2.47799013e-04 -3.46432120e-04] [ 2.47742760e-04 2.47799013e-04 3.46432120e-04]] Final stress: [-1.63415050e-05 -1.63465955e-05 1.26408657e-05 9.80931359e-17 -1.71138471e-05 6.31786299e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-7.80994026e-05 -3.56173907e-05 -5.57904417e-14] [ 7.80994024e-05 3.56173906e-05 -1.25260913e-13] [-3.56173908e-05 -7.80994026e-05 1.03632380e-14] [ 3.56173908e-05 7.80994027e-05 -4.63240557e-14] [ 7.25305233e-14 3.16721475e-14 4.42986719e-04] [ 1.24372734e-13 2.05391260e-14 -4.42986719e-04] [-7.80994029e-05 -3.56173907e-05 6.78531055e-14] [ 7.80994027e-05 3.56173909e-05 9.31321246e-14] [-3.56173908e-05 -7.80994025e-05 -3.21231597e-14] [ 3.56173906e-05 7.80994026e-05 3.34553901e-14] [-1.89723237e-13 3.41999426e-14 4.42986719e-04] [-1.01539437e-13 6.27513110e-14 -4.42986719e-04] [ 1.05856301e-04 1.05856301e-04 2.49698703e-04] [-1.05856301e-04 -1.05856301e-04 2.49698703e-04] [-2.12109350e-04 2.12109350e-04 3.58510506e-04] [ 2.12109350e-04 -2.12109350e-04 3.58510507e-04] [ 1.05856301e-04 1.05856301e-04 -2.49698703e-04] [-1.05856301e-04 -1.05856301e-04 -2.49698703e-04] [ 2.12109350e-04 -2.12109350e-04 -3.58510507e-04] [-2.12109350e-04 2.12109350e-04 -3.58510507e-04] [ 1.05856301e-04 1.05856301e-04 2.49698703e-04] [-1.05856301e-04 -1.05856301e-04 2.49698703e-04] [-2.12109350e-04 2.12109350e-04 3.58510507e-04] [ 2.12109350e-04 -2.12109350e-04 3.58510507e-04] [ 1.05856301e-04 1.05856301e-04 -2.49698703e-04] [-1.05856301e-04 -1.05856301e-04 -2.49698703e-04] [ 2.12109350e-04 -2.12109350e-04 -3.58510507e-04] [-2.12109350e-04 2.12109350e-04 -3.58510507e-04] [ 5.02570208e-13 -3.31679129e-14 3.99041911e-13] [-1.11907011e-14 1.40051424e-13 -1.14056228e-13] [ 4.43463506e-04 1.81781004e-04 -6.51328062e-05] [-4.43463507e-04 -1.81781004e-04 -6.51328057e-05] [ 4.43463507e-04 1.81781003e-04 6.51328058e-05] [-4.43463507e-04 -1.81781003e-04 6.51328055e-05] [ 1.81781004e-04 4.43463507e-04 -6.51328059e-05] [ 1.81781003e-04 4.43463507e-04 6.51328056e-05] [-1.81781004e-04 -4.43463507e-04 -6.51328060e-05] [-1.81781003e-04 -4.43463507e-04 6.51328059e-05] [ 5.74352307e-04 5.74352307e-04 3.00648395e-13] [ 6.52655295e-05 -6.52655299e-05 -1.28652297e-13] [-6.52655296e-05 6.52655295e-05 -1.68549202e-13] [-5.74352307e-04 -5.74352307e-04 -3.06988809e-13] [ 4.43463507e-04 1.81781003e-04 -6.51328057e-05] [-4.43463506e-04 -1.81781004e-04 -6.51328058e-05] [ 4.43463507e-04 1.81781004e-04 6.51328064e-05] [-4.43463507e-04 -1.81781003e-04 6.51328059e-05] [ 1.81781003e-04 4.43463507e-04 -6.51328058e-05] [ 1.81781004e-04 4.43463507e-04 6.51328063e-05] [-1.81781004e-04 -4.43463507e-04 -6.51328057e-05] [-1.81781003e-04 -4.43463507e-04 6.51328056e-05] [ 5.74352307e-04 5.74352307e-04 2.16757693e-13] [ 6.52655295e-05 -6.52655294e-05 1.08878283e-13] [-6.52655294e-05 6.52655298e-05 1.59838055e-13] [-5.74352307e-04 -5.74352307e-04 4.61466802e-13]] Final stress: [ 1.57629855e-05 1.57629855e-05 -1.27490484e-05 -6.48361599e-17 -8.47857475e-17 1.78118925e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.78196932e-05 6.10730162e-05 -2.55186497e-14] [-3.78196935e-05 -6.10730163e-05 -7.19702076e-14] [ 6.10730165e-05 3.78196935e-05 6.16000306e-15] [-6.10730164e-05 -3.78196929e-05 -6.46149800e-14] [-6.01250820e-14 1.75623405e-14 4.83309988e-04] [-1.07192033e-13 -3.98014954e-14 -4.83309988e-04] [ 3.78196934e-05 6.10730165e-05 -7.55955892e-15] [-3.78196930e-05 -6.10730163e-05 -2.81173837e-15] [ 6.10730163e-05 3.78196934e-05 1.21028785e-14] [-6.10730164e-05 -3.78196933e-05 -3.03653935e-14] [ 5.88782495e-14 2.74791671e-14 4.83309988e-04] [ 6.72595660e-14 5.00690761e-14 -4.83309988e-04] [ 1.57639162e-04 1.57639162e-04 -3.97951116e-04] [-1.57639162e-04 -1.57639162e-04 -3.97951116e-04] [-1.44474423e-04 1.44474423e-04 -2.43568345e-04] [ 1.44474423e-04 -1.44474423e-04 -2.43568345e-04] [ 1.57639162e-04 1.57639162e-04 3.97951116e-04] [-1.57639162e-04 -1.57639162e-04 3.97951116e-04] [ 1.44474423e-04 -1.44474423e-04 2.43568345e-04] [-1.44474423e-04 1.44474423e-04 2.43568345e-04] [ 1.57639162e-04 1.57639162e-04 -3.97951116e-04] [-1.57639162e-04 -1.57639162e-04 -3.97951116e-04] [-1.44474423e-04 1.44474423e-04 -2.43568345e-04] [ 1.44474423e-04 -1.44474423e-04 -2.43568345e-04] [ 1.57639162e-04 1.57639162e-04 3.97951116e-04] [-1.57639162e-04 -1.57639162e-04 3.97951116e-04] [ 1.44474423e-04 -1.44474423e-04 2.43568345e-04] [-1.44474423e-04 1.44474423e-04 2.43568345e-04] [ 1.96842542e-13 -6.79123424e-13 -1.26065824e-13] [-2.74309221e-13 1.26206034e-14 -2.08170088e-13] [-3.24437788e-04 8.75209471e-05 -7.65017952e-06] [ 3.24437786e-04 -8.75209479e-05 -7.65018014e-06] [-3.24437787e-04 8.75209478e-05 7.65017995e-06] [ 3.24437787e-04 -8.75209477e-05 7.65018007e-06] [ 8.75209479e-05 -3.24437787e-04 -7.65018013e-06] [ 8.75209476e-05 -3.24437787e-04 7.65018005e-06] [-8.75209485e-05 3.24437787e-04 -7.65018105e-06] [-8.75209481e-05 3.24437786e-04 7.65018053e-06] [-1.26835814e-04 -1.26835813e-04 1.49880108e-13] [-6.13011128e-04 6.13011128e-04 -2.61167823e-13] [ 6.13011127e-04 -6.13011129e-04 3.08626388e-13] [ 1.26835814e-04 1.26835814e-04 -3.26780270e-13] [-3.24437786e-04 8.75209482e-05 -7.65018054e-06] [ 3.24437787e-04 -8.75209477e-05 -7.65018021e-06] [-3.24437786e-04 8.75209486e-05 7.65018086e-06] [ 3.24437787e-04 -8.75209480e-05 7.65018052e-06] [ 8.75209477e-05 -3.24437787e-04 -7.65018003e-06] [ 8.75209479e-05 -3.24437787e-04 7.65018033e-06] [-8.75209478e-05 3.24437787e-04 -7.65017978e-06] [-8.75209468e-05 3.24437787e-04 7.65017902e-06] [-1.26835814e-04 -1.26835814e-04 1.27386498e-13] [-6.13011128e-04 6.13011128e-04 1.26111361e-13] [ 6.13011129e-04 -6.13011127e-04 -6.97685928e-14] [ 1.26835814e-04 1.26835814e-04 -6.90675815e-14]] Final stress: [ 1.61945615e-05 1.61945615e-05 -1.25422235e-05 9.80854726e-17 1.18035060e-16 -1.74610878e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.98844462e-07 -1.07133347e-04 -7.30474708e-14] [ 4.98844124e-07 1.07133347e-04 -1.81799020e-14] [-1.07133347e-04 -4.98843981e-07 -8.70007191e-14] [ 1.07133347e-04 4.98844135e-07 -3.68316488e-14] [-6.34475111e-16 -5.40669939e-14 -4.73228755e-04] [-1.04360964e-13 -7.44126982e-14 4.73228755e-04] [-4.98844216e-07 -1.07133347e-04 1.16381414e-14] [ 4.98843915e-07 1.07133347e-04 -1.16749246e-14] [-1.07133347e-04 -4.98843791e-07 7.45542017e-14] [ 1.07133347e-04 4.98844123e-07 5.02015447e-14] [-6.79135567e-14 4.52958902e-14 -4.73228755e-04] [-1.65679102e-14 6.29829283e-14 4.73228755e-04] [-1.61299793e-04 -1.61299793e-04 3.51055966e-04] [ 1.61299793e-04 1.61299793e-04 3.51055966e-04] [ 1.52317440e-04 -1.52317440e-04 2.14811186e-04] [-1.52317440e-04 1.52317440e-04 2.14811186e-04] [-1.61299793e-04 -1.61299793e-04 -3.51055966e-04] [ 1.61299793e-04 1.61299793e-04 -3.51055966e-04] [-1.52317440e-04 1.52317440e-04 -2.14811186e-04] [ 1.52317440e-04 -1.52317440e-04 -2.14811186e-04] [-1.61299793e-04 -1.61299793e-04 3.51055966e-04] [ 1.61299793e-04 1.61299793e-04 3.51055966e-04] [ 1.52317440e-04 -1.52317439e-04 2.14811186e-04] [-1.52317440e-04 1.52317440e-04 2.14811186e-04] [-1.61299793e-04 -1.61299793e-04 -3.51055966e-04] [ 1.61299793e-04 1.61299793e-04 -3.51055966e-04] [-1.52317440e-04 1.52317440e-04 -2.14811185e-04] [ 1.52317440e-04 -1.52317439e-04 -2.14811185e-04] [ 8.03523914e-14 -4.62907490e-13 -2.83634227e-13] [ 1.91434542e-13 -1.21936134e-13 -1.35970608e-13] [ 3.46126931e-04 -6.12598051e-05 -4.46832682e-05] [-3.46126932e-04 6.12598044e-05 -4.46832689e-05] [ 3.46126932e-04 -6.12598050e-05 4.46832681e-05] [-3.46126932e-04 6.12598047e-05 4.46832686e-05] [-6.12598043e-05 3.46126931e-04 -4.46832689e-05] [-6.12598047e-05 3.46126932e-04 4.46832684e-05] [ 6.12598037e-05 -3.46126932e-04 -4.46832696e-05] [ 6.12598041e-05 -3.46126932e-04 4.46832692e-05] [ 1.10945072e-04 1.10945073e-04 -1.93289829e-13] [ 6.10440750e-04 -6.10440751e-04 -2.91967839e-13] [-6.10440751e-04 6.10440750e-04 -1.00678146e-13] [-1.10945073e-04 -1.10945072e-04 -2.28060626e-13] [ 3.46126932e-04 -6.12598043e-05 -4.46832688e-05] [-3.46126931e-04 6.12598046e-05 -4.46832684e-05] [ 3.46126932e-04 -6.12598038e-05 4.46832692e-05] [-3.46126931e-04 6.12598040e-05 4.46832689e-05] [-6.12598045e-05 3.46126932e-04 -4.46832686e-05] [-6.12598043e-05 3.46126932e-04 4.46832688e-05] [ 6.12598048e-05 -3.46126931e-04 -4.46832682e-05] [ 6.12598048e-05 -3.46126931e-04 4.46832684e-05] [ 1.10945073e-04 1.10945072e-04 1.87426134e-13] [ 6.10440751e-04 -6.10440750e-04 2.36414604e-13] [-6.10440750e-04 6.10440751e-04 5.09695537e-14] [-1.10945073e-04 -1.10945072e-04 1.87189673e-13]] Final stress: [-1.62867872e-05 -1.62867872e-05 1.26369384e-05 -2.32763373e-17 -1.08068709e-16 1.69910829e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.98845254e-07 1.07133332e-04 1.28987099e-13] [ 4.98845034e-07 -1.07133332e-04 6.36712905e-14] [ 1.07133332e-04 -4.98845017e-07 -2.39565312e-15] [-1.07133332e-04 4.98845018e-07 -1.59872116e-14] [-3.87472172e-14 -4.00764491e-14 -4.73228759e-04] [-3.18356452e-14 -7.38853423e-14 4.73228759e-04] [-4.98844882e-07 1.07133332e-04 -9.39540544e-14] [ 4.98845274e-07 -1.07133332e-04 -6.83105438e-14] [ 1.07133332e-04 -4.98844913e-07 4.52083918e-14] [-1.07133332e-04 4.98845201e-07 6.74395435e-14] [ 5.72337316e-14 2.42763002e-14 -4.73228759e-04] [-1.18468603e-14 4.86243444e-14 4.73228759e-04] [-1.52317436e-04 -1.52317436e-04 -2.14811194e-04] [ 1.52317436e-04 1.52317436e-04 -2.14811194e-04] [ 1.61299797e-04 -1.61299798e-04 -3.51055977e-04] [-1.61299797e-04 1.61299797e-04 -3.51055977e-04] [-1.52317436e-04 -1.52317436e-04 2.14811194e-04] [ 1.52317436e-04 1.52317436e-04 2.14811194e-04] [-1.61299797e-04 1.61299797e-04 3.51055977e-04] [ 1.61299797e-04 -1.61299798e-04 3.51055977e-04] [-1.52317436e-04 -1.52317436e-04 -2.14811194e-04] [ 1.52317436e-04 1.52317436e-04 -2.14811194e-04] [ 1.61299797e-04 -1.61299797e-04 -3.51055977e-04] [-1.61299797e-04 1.61299797e-04 -3.51055977e-04] [-1.52317436e-04 -1.52317436e-04 2.14811194e-04] [ 1.52317436e-04 1.52317436e-04 2.14811194e-04] [-1.61299797e-04 1.61299797e-04 3.51055977e-04] [ 1.61299797e-04 -1.61299797e-04 3.51055977e-04] [ 7.47457651e-14 -1.93095540e-13 1.04638520e-13] [-2.91028486e-13 -1.47813646e-13 2.30945441e-13] [-3.46126935e-04 -6.12597799e-05 -4.46832915e-05] [ 3.46126935e-04 6.12597803e-05 -4.46832910e-05] [-3.46126935e-04 -6.12597800e-05 4.46832916e-05] [ 3.46126935e-04 6.12597803e-05 4.46832911e-05] [-6.12597802e-05 -3.46126935e-04 -4.46832912e-05] [-6.12597801e-05 -3.46126935e-04 4.46832913e-05] [ 6.12597798e-05 3.46126935e-04 -4.46832917e-05] [ 6.12597801e-05 3.46126935e-04 4.46832914e-05] [-6.10440747e-04 -6.10440746e-04 -2.35700348e-13] [-1.10945074e-04 1.10945075e-04 3.63285790e-14] [ 1.10945075e-04 -1.10945075e-04 2.45324594e-14] [ 6.10440747e-04 6.10440746e-04 -6.83151452e-14] [-3.46126935e-04 -6.12597800e-05 -4.46832914e-05] [ 3.46126935e-04 6.12597799e-05 -4.46832916e-05] [-3.46126935e-04 -6.12597798e-05 4.46832913e-05] [ 3.46126936e-04 6.12597796e-05 4.46832917e-05] [-6.12597801e-05 -3.46126935e-04 -4.46832912e-05] [-6.12597803e-05 -3.46126935e-04 4.46832911e-05] [ 6.12597805e-05 3.46126935e-04 -4.46832910e-05] [ 6.12597805e-05 3.46126935e-04 4.46832912e-05] [-6.10440746e-04 -6.10440747e-04 1.17208083e-13] [-1.10945075e-04 1.10945075e-04 -5.12170127e-14] [ 1.10945075e-04 -1.10945075e-04 2.56486272e-13] [ 6.10440747e-04 6.10440746e-04 9.88792381e-15]] Final stress: [-1.62867873e-05 -1.62867873e-05 1.26369385e-05 3.32519105e-17 6.65038209e-18 -1.69910831e-05] Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.68213639e-02 -3.70321742e-12 3.24915659e-13] [ 3.68213639e-02 -3.06857317e-12 7.52981011e-13] [ 3.60318676e-12 -2.23048360e-02 2.50855760e-13] [ 7.06396053e-12 2.23048360e-02 -1.92776350e-12] [ 3.01103326e-12 -2.33793020e-13 -2.23048360e-02] [ 5.36445888e-12 -5.93747274e-13 2.23048360e-02] [-3.68213639e-02 -2.63775156e-12 -2.92806156e-12] [ 3.68213639e-02 -3.42771428e-12 -1.97224516e-12] [-3.46787789e-12 -2.23048360e-02 -2.31755767e-12] [ 3.96352222e-13 2.23048360e-02 -1.43002574e-12] [ 2.84938089e-12 9.58370778e-13 -2.23048360e-02] [ 5.76902241e-13 -1.39484076e-12 2.23048360e-02] [ 1.55711681e-02 -1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 -1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 -1.53592548e-02 1.53592548e-02] [-1.55711681e-02 1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 -1.53592548e-02 -1.53592548e-02] [ 1.55711681e-02 -1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 -1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 -1.53592548e-02 1.53592548e-02] [-1.55711681e-02 1.53592548e-02 1.53592548e-02] [ 1.55711681e-02 1.53592548e-02 -1.53592548e-02] [-1.55711681e-02 -1.53592548e-02 -1.53592548e-02] [ 1.94950445e-11 -5.69680414e-12 6.74654776e-13] [-3.46126166e-12 -7.19628241e-12 -9.45342105e-13] [ 4.44200232e-13 -2.91773586e-02 -2.91773586e-02] [ 2.90460017e-12 2.91773586e-02 -2.91773586e-02] [-4.67139522e-12 -2.91773586e-02 2.91773586e-02] [-3.48523294e-14 2.91773586e-02 2.91773586e-02] [ 4.68802427e-03 -3.95350419e-13 3.14532722e-03] [ 4.68802431e-03 1.25426926e-12 -3.14532718e-03] [-4.68802429e-03 -6.84237562e-12 3.14532720e-03] [-4.68802431e-03 -4.41741486e-12 -3.14532718e-03] [ 4.68802427e-03 3.14532722e-03 7.19702076e-12] [-4.68802429e-03 3.14532720e-03 1.46835981e-11] [ 4.68802430e-03 -3.14532719e-03 9.32069873e-12] [-4.68802431e-03 -3.14532718e-03 1.44437193e-11] [ 2.06204715e-12 -2.91773586e-02 -2.91773586e-02] [ 5.97617442e-12 2.91773586e-02 -2.91773586e-02] [ 8.84729442e-12 -2.91773586e-02 2.91773585e-02] [ 1.10684144e-11 2.91773586e-02 2.91773586e-02] [ 4.68802429e-03 -4.95117234e-12 3.14532719e-03] [ 4.68802429e-03 1.44232998e-12 -3.14532719e-03] [-4.68802428e-03 -6.12894414e-12 3.14532720e-03] [-4.68802428e-03 -5.26939863e-12 -3.14532720e-03] [ 4.68802429e-03 3.14532719e-03 -5.67219811e-12] [-4.68802429e-03 3.14532719e-03 -1.38976235e-11] [ 4.68802430e-03 -3.14532717e-03 -7.69454478e-12] [-4.68802430e-03 -3.14532719e-03 -1.32372099e-11]] Final stress: [ 9.67501867e-04 -2.00868386e-04 -2.00868386e-04 1.44813484e-15 -2.16472051e-15 -9.68305088e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.06751284e-04 -2.24159667e-13 -1.35902574e-13] [-5.06751285e-04 -2.09998685e-13 2.45636844e-14] [-4.01796652e-14 5.06751285e-04 -6.29088795e-14] [-6.41153797e-14 -5.06751285e-04 -1.79800619e-13] [ 1.82413980e-13 -1.76230558e-13 -1.78390131e-04] [ 4.88498131e-15 -5.17363929e-14 1.78390130e-04] [ 5.06751285e-04 5.97378050e-14 1.43536353e-13] [-5.06751285e-04 1.09806261e-13 -1.17378367e-13] [ 7.84051643e-15 5.06751285e-04 1.64463190e-13] [-1.08081946e-14 -5.06751285e-04 1.58675020e-13] [-2.63969836e-13 5.53107516e-14 -1.78390131e-04] [ 5.34303504e-14 -1.62519083e-14 1.78390131e-04] [ 6.67191979e-05 6.67191982e-05 3.21042927e-04] [-6.67191979e-05 -6.67191979e-05 3.21042927e-04] [-6.67191980e-05 6.67191978e-05 -3.21042927e-04] [ 6.67191980e-05 -6.67191980e-05 -3.21042926e-04] [ 6.67191977e-05 6.67191979e-05 -3.21042927e-04] [-6.67191978e-05 -6.67191975e-05 -3.21042927e-04] [ 6.67191980e-05 -6.67191982e-05 3.21042927e-04] [-6.67191979e-05 6.67191980e-05 3.21042926e-04] [ 6.67191976e-05 6.67191981e-05 3.21042927e-04] [-6.67191977e-05 -6.67191976e-05 3.21042927e-04] [-6.67191979e-05 6.67191987e-05 -3.21042927e-04] [ 6.67191978e-05 -6.67191976e-05 -3.21042927e-04] [ 6.67191976e-05 6.67191984e-05 -3.21042927e-04] [-6.67191980e-05 -6.67191979e-05 -3.21042926e-04] [ 6.67191978e-05 -6.67191977e-05 3.21042926e-04] [-6.67191975e-05 6.67191982e-05 3.21042927e-04] [ 3.39200890e-13 -7.09432513e-13 5.91859894e-13] [ 4.02668350e-14 -4.23090505e-13 -1.83617353e-13] [-3.00981462e-13 1.39769008e-04 6.99525561e-05] [ 4.44783099e-15 -1.39769008e-04 6.99525568e-05] [ 2.56586419e-13 1.39769008e-04 -6.99525561e-05] [ 5.83642509e-13 -1.39769008e-04 -6.99525572e-05] [ 1.39769010e-04 -2.27373675e-13 6.99525546e-05] [ 1.39769009e-04 -3.78705747e-13 -6.99525557e-05] [-1.39769010e-04 -7.97922492e-13 6.99525550e-05] [-1.39769009e-04 -3.72929118e-13 -6.99525566e-05] [-5.68365574e-05 -5.68365558e-05 3.66373598e-13] [ 5.68365565e-05 -5.68365570e-05 -8.23017002e-13] [-5.68365577e-05 5.68365553e-05 6.28068778e-13] [ 5.68365567e-05 5.68365565e-05 -2.84473833e-13] [ 3.10112179e-13 1.39769009e-04 6.99525554e-05] [ 5.60992225e-13 -1.39769009e-04 6.99525562e-05] [ 3.87874195e-13 1.39769010e-04 -6.99525547e-05] [-3.04005952e-14 -1.39769010e-04 -6.99525556e-05] [ 1.39769009e-04 -3.44033851e-13 6.99525565e-05] [ 1.39769009e-04 2.13223536e-13 -6.99525559e-05] [-1.39769008e-04 -2.04140524e-13 6.99525566e-05] [-1.39769007e-04 7.51733745e-14 -6.99525572e-05] [-5.68365567e-05 -5.68365567e-05 5.76040873e-13] [ 5.68365554e-05 -5.68365581e-05 5.52716130e-13] [-5.68365564e-05 5.68365573e-05 5.77713523e-13] [ 5.68365557e-05 5.68365574e-05 7.05871559e-13]] Final stress: [-3.37254661e-07 -3.37254661e-07 2.92949308e-05 9.47596158e-17 7.64726724e-17 2.31080467e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.49872986e-03 -1.42154084e-13 2.02097020e-13] [-1.49872986e-03 -1.05110365e-13 1.91208160e-13] [ 6.47316402e-14 -1.40135089e-03 2.14948719e-13] [ 1.06692433e-13 1.40135089e-03 1.95343741e-13] [ 9.82829269e-14 -1.26323865e-13 4.91973594e-05] [ 1.34225964e-13 -6.40876241e-14 -4.91973592e-05] [ 1.49872986e-03 -8.01203721e-14 -1.06064980e-13] [-1.49872986e-03 -2.37522675e-14 -5.36262544e-14] [ 7.96585020e-15 -1.40135089e-03 -1.06035699e-13] [ 2.41690348e-15 1.40135089e-03 1.18199846e-14] [ 7.78752063e-14 -7.56363874e-14 4.91973589e-05] [ 8.04781589e-15 -1.68586122e-13 -4.91973591e-05] [ 1.54520361e-04 -1.65326878e-04 -5.66765794e-06] [-1.54520361e-04 1.65326878e-04 -5.66765787e-06] [-1.54520361e-04 -1.65326878e-04 5.66765810e-06] [ 1.54520361e-04 1.65326878e-04 5.66765799e-06] [ 1.54520361e-04 -1.65326878e-04 5.66765798e-06] [-1.54520361e-04 1.65326878e-04 5.66765789e-06] [ 1.54520361e-04 1.65326878e-04 -5.66765794e-06] [-1.54520361e-04 -1.65326878e-04 -5.66765799e-06] [ 1.54520361e-04 -1.65326878e-04 -5.66765817e-06] [-1.54520361e-04 1.65326878e-04 -5.66765829e-06] [-1.54520361e-04 -1.65326878e-04 5.66765780e-06] [ 1.54520361e-04 1.65326878e-04 5.66765776e-06] [ 1.54520361e-04 -1.65326878e-04 5.66765775e-06] [-1.54520361e-04 1.65326878e-04 5.66765774e-06] [ 1.54520361e-04 1.65326878e-04 -5.66765825e-06] [-1.54520361e-04 -1.65326878e-04 -5.66765819e-06] [ 2.00339745e-13 -2.65204525e-13 3.44474449e-13] [-4.82903648e-14 4.37014589e-14 -5.95645347e-14] [-5.21804822e-15 6.83535467e-05 -9.39324563e-05] [ 3.02518427e-14 -6.83535467e-05 -9.39324565e-05] [ 2.41681675e-14 6.83535463e-05 9.39324564e-05] [ 6.22418783e-14 -6.83535462e-05 9.39324564e-05] [-1.10841191e-04 -1.58761893e-14 5.05447952e-05] [-1.10841191e-04 -4.32820446e-13 -5.05447950e-05] [ 1.10841190e-04 -5.31207023e-14 5.05447947e-05] [ 1.10841191e-04 -3.87872026e-13 -5.05447949e-05] [-1.85126813e-04 1.38546109e-04 1.03139719e-13] [ 1.85126813e-04 1.38546109e-04 -3.80633025e-14] [-1.85126813e-04 -1.38546109e-04 1.43659390e-13] [ 1.85126813e-04 -1.38546109e-04 3.02554856e-13] [-2.12170559e-13 6.83535465e-05 -9.39324564e-05] [-1.46647451e-13 -6.83535460e-05 -9.39324561e-05] [-3.70619334e-14 6.83535466e-05 9.39324563e-05] [-6.01172757e-14 -6.83535465e-05 9.39324563e-05] [-1.10841191e-04 -1.45867140e-13 5.05447953e-05] [-1.10841191e-04 -2.55858702e-14 -5.05447952e-05] [ 1.10841191e-04 -1.29314528e-13 5.05447950e-05] [ 1.10841191e-04 -1.46203362e-13 -5.05447952e-05] [-1.85126813e-04 1.38546109e-04 2.78591464e-13] [ 1.85126813e-04 1.38546109e-04 1.02540060e-13] [-1.85126813e-04 -1.38546108e-04 6.80790365e-14] [ 1.85126813e-04 -1.38546109e-04 -1.53527798e-13]] Final stress: [-1.76516478e-05 1.82959400e-05 3.15123995e-07 -1.06401957e-16 1.82878363e-17 -7.31513454e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.40133331e-03 -4.30380558e-14 2.17143144e-13] [ 1.40133331e-03 -6.86950496e-14 1.52683421e-13] [ 6.83936414e-14 1.49871144e-03 1.73120199e-13] [ 1.46493928e-13 -1.49871144e-03 1.39277478e-13] [ 8.81664533e-14 -1.32288278e-13 4.91969034e-05] [ 1.31727962e-13 -8.25450819e-14 -4.91969032e-05] [-1.40133331e-03 -2.46296039e-14 -4.57077105e-14] [ 1.40133331e-03 -5.54677831e-14 -3.66873202e-14] [ 1.63879327e-14 1.49871144e-03 -1.35982737e-13] [ 7.87646857e-14 -1.49871144e-03 -2.48346255e-14] [ 7.14107593e-14 3.96698763e-14 4.91969028e-05] [ 5.48961918e-14 -6.31562914e-14 -4.91969029e-05] [-1.65325959e-04 1.54519505e-04 -5.66761482e-06] [ 1.65325959e-04 -1.54519505e-04 -5.66761496e-06] [ 1.65325959e-04 1.54519505e-04 5.66761493e-06] [-1.65325959e-04 -1.54519505e-04 5.66761494e-06] [-1.65325959e-04 1.54519505e-04 5.66761488e-06] [ 1.65325959e-04 -1.54519505e-04 5.66761487e-06] [-1.65325959e-04 -1.54519505e-04 -5.66761493e-06] [ 1.65325959e-04 1.54519505e-04 -5.66761492e-06] [-1.65325959e-04 1.54519505e-04 -5.66761513e-06] [ 1.65325959e-04 -1.54519505e-04 -5.66761526e-06] [ 1.65325959e-04 1.54519505e-04 5.66761476e-06] [-1.65325959e-04 -1.54519505e-04 5.66761472e-06] [-1.65325959e-04 1.54519505e-04 5.66761474e-06] [ 1.65325959e-04 -1.54519505e-04 5.66761467e-06] [-1.65325959e-04 -1.54519505e-04 -5.66761521e-06] [ 1.65325959e-04 1.54519505e-04 -5.66761522e-06] [ 2.10498285e-13 -1.43718371e-13 3.41726647e-13] [-1.55188362e-14 1.76591194e-14 -2.64507883e-13] [ 1.74305015e-14 -1.10887323e-04 5.05808289e-05] [ 2.36109743e-13 1.10887323e-04 5.05808289e-05] [-5.44425616e-14 -1.10887323e-04 -5.05808286e-05] [ 1.72067222e-13 1.10887323e-04 -5.05808289e-05] [ 6.83999035e-05 2.61346500e-13 -9.39681921e-05] [ 6.83999033e-05 4.40879971e-14 9.39681922e-05] [-6.83999037e-05 -2.31550890e-14 -9.39681924e-05] [-6.83999030e-05 -2.17629734e-13 9.39681922e-05] [ 1.38628389e-04 -1.85208791e-04 4.76285678e-14] [-1.38628388e-04 -1.85208791e-04 9.52692786e-14] [ 1.38628389e-04 1.85208791e-04 1.84394167e-13] [-1.38628389e-04 1.85208792e-04 3.25453206e-13] [-2.23545141e-14 -1.10887323e-04 5.05808291e-05] [-1.34859138e-13 1.10887323e-04 5.05808289e-05] [ 8.80207365e-14 -1.10887323e-04 -5.05808291e-05] [-2.02381514e-14 1.10887323e-04 -5.05808288e-05] [ 6.83999031e-05 -2.35789043e-13 -9.39681921e-05] [ 6.83999032e-05 -4.12419664e-14 9.39681921e-05] [-6.83999032e-05 -1.55156270e-13 -9.39681922e-05] [-6.83999030e-05 -2.25522725e-14 9.39681921e-05] [ 1.38628389e-04 -1.85208792e-04 2.65556700e-13] [-1.38628389e-04 -1.85208792e-04 9.60216065e-14] [ 1.38628389e-04 1.85208792e-04 9.63909365e-14] [-1.38628388e-04 1.85208792e-04 -5.09097972e-14]] Final stress: [ 1.82956837e-05 -1.76513973e-05 3.15121229e-07 -7.48138759e-17 5.65260396e-17 -4.32257950e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.78215451e-04 -8.76113418e-14 4.84868222e-14] [ 4.78215451e-04 1.82548421e-13 4.67403893e-14] [ 1.91749394e-13 -4.78215451e-04 1.29991070e-13] [-3.20160565e-13 4.78215451e-04 -6.87783164e-14] [-5.27880691e-14 8.81976783e-14 1.56033494e-04] [-1.97064587e-14 1.34697808e-13 -1.56033495e-04] [-4.78215450e-04 3.00195199e-13 1.45581908e-13] [ 4.78215451e-04 -1.18034488e-13 -5.77498861e-14] [-2.63570849e-13 -4.78215451e-04 2.24840154e-14] [ 1.44897549e-13 4.78215451e-04 2.03548344e-13] [-2.44212203e-13 9.95324915e-14 1.56033496e-04] [-1.03129311e-14 -8.11101889e-14 -1.56033495e-04] [-6.40883243e-05 -6.40883240e-05 -2.91596387e-04] [ 6.40883244e-05 6.40883245e-05 -2.91596387e-04] [ 6.40883244e-05 -6.40883249e-05 2.91596387e-04] [-6.40883245e-05 6.40883247e-05 2.91596387e-04] [-6.40883245e-05 -6.40883245e-05 2.91596387e-04] [ 6.40883249e-05 6.40883248e-05 2.91596387e-04] [-6.40883240e-05 6.40883245e-05 -2.91596386e-04] [ 6.40883242e-05 -6.40883246e-05 -2.91596387e-04] [-6.40883242e-05 -6.40883246e-05 -2.91596387e-04] [ 6.40883244e-05 6.40883245e-05 -2.91596387e-04] [ 6.40883240e-05 -6.40883238e-05 2.91596387e-04] [-6.40883244e-05 6.40883243e-05 2.91596387e-04] [-6.40883240e-05 -6.40883242e-05 2.91596387e-04] [ 6.40883241e-05 6.40883243e-05 2.91596387e-04] [-6.40883244e-05 6.40883245e-05 -2.91596387e-04] [ 6.40883246e-05 -6.40883243e-05 -2.91596387e-04] [ 6.60582700e-15 -2.38864484e-13 1.05879194e-12] [-7.46141864e-13 -6.76980804e-13 -4.37943505e-13] [-7.61946062e-13 -1.48215909e-04 -6.89369355e-06] [-4.24351526e-13 1.48215910e-04 -6.89369230e-06] [-6.04823483e-13 -1.48215910e-04 6.89369300e-06] [ 1.95820790e-13 1.48215912e-04 6.89369066e-06] [-1.48215910e-04 9.15933995e-13 -6.89369320e-06] [-1.48215910e-04 5.75754722e-13 6.89369215e-06] [ 1.48215908e-04 2.01691094e-13 -6.89369436e-06] [ 1.48215910e-04 2.38482845e-13 6.89369304e-06] [ 6.23447465e-05 6.23447492e-05 -2.93320923e-13] [-6.23447469e-05 6.23447484e-05 -1.41487690e-12] [ 6.23447473e-05 -6.23447488e-05 2.06050454e-13] [-6.23447486e-05 -6.23447473e-05 -8.86912072e-14] [ 8.44018865e-13 -1.48215910e-04 -6.89369276e-06] [ 6.82781089e-13 1.48215910e-04 -6.89369300e-06] [ 9.90815503e-13 -1.48215909e-04 6.89369323e-06] [ 1.75947798e-13 1.48215908e-04 6.89369417e-06] [-1.48215911e-04 -1.98105949e-12 -6.89369182e-06] [-1.48215909e-04 -4.02842473e-13 6.89369326e-06] [ 1.48215911e-04 -5.17193059e-13 -6.89369160e-06] [ 1.48215911e-04 -5.17056016e-14 6.89369207e-06] [ 6.23447493e-05 6.23447468e-05 1.03600622e-12] [-6.23447487e-05 6.23447476e-05 9.64010217e-13] [ 6.23447481e-05 -6.23447482e-05 8.50440347e-13] [-6.23447474e-05 -6.23447492e-05 6.74439237e-13]] Final stress: [-1.48707229e-06 -1.48707229e-06 -2.83759282e-05 -4.15652939e-17 -8.14679761e-17 2.49391763e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.06751221e-04 2.19446857e-13 4.57559338e-14] [-5.06751221e-04 1.55042645e-13 -7.29416527e-14] [-6.90606426e-14 -1.78390106e-04 5.36567318e-14] [ 1.30423450e-13 1.78390105e-04 2.24154029e-13] [-4.25306491e-14 1.60302327e-13 5.06751220e-04] [-5.90361093e-14 -4.08006962e-15 -5.06751220e-04] [ 5.06751221e-04 9.42141330e-14 1.68694826e-14] [-5.06751220e-04 8.58870267e-14 -6.79185961e-14] [ 3.14002296e-14 -1.78390105e-04 -3.08600521e-15] [ 7.95327346e-14 1.78390106e-04 -1.73314498e-13] [-9.34838144e-14 -4.62987235e-14 5.06751221e-04] [-2.30392528e-13 1.99758130e-13 -5.06751221e-04] [ 6.67191974e-05 3.21042898e-04 6.67191975e-05] [-6.67191972e-05 -3.21042898e-04 6.67191973e-05] [-6.67191973e-05 3.21042898e-04 -6.67191974e-05] [ 6.67191971e-05 -3.21042898e-04 -6.67191971e-05] [ 6.67191974e-05 3.21042898e-04 -6.67191974e-05] [-6.67191970e-05 -3.21042898e-04 -6.67191971e-05] [ 6.67191973e-05 -3.21042899e-04 6.67191972e-05] [-6.67191973e-05 3.21042898e-04 6.67191976e-05] [ 6.67191972e-05 3.21042898e-04 6.67191969e-05] [-6.67191974e-05 -3.21042898e-04 6.67191973e-05] [-6.67191974e-05 3.21042898e-04 -6.67191975e-05] [ 6.67191975e-05 -3.21042898e-04 -6.67191974e-05] [ 6.67191975e-05 3.21042898e-04 -6.67191973e-05] [-6.67191975e-05 -3.21042898e-04 -6.67191974e-05] [ 6.67191975e-05 -3.21042898e-04 6.67191973e-05] [-6.67191972e-05 3.21042898e-04 6.67191969e-05] [ 8.29614155e-14 4.45088411e-13 2.65287792e-13] [-1.27467481e-13 -6.95290405e-13 -3.71426741e-13] [-2.32813768e-13 6.99526820e-05 1.39768930e-04] [ 4.96477859e-15 -6.99526827e-05 1.39768929e-04] [-4.33000857e-13 6.99526831e-05 -1.39768929e-04] [ 2.13551399e-13 -6.99526834e-05 -1.39768928e-04] [-5.68365346e-05 -6.43596287e-13 -5.68365332e-05] [-5.68365341e-05 1.64297395e-13 5.68365341e-05] [ 5.68365335e-05 -1.08145611e-12 -5.68365343e-05] [ 5.68365335e-05 -4.33484845e-13 5.68365347e-05] [ 1.39768929e-04 6.99526825e-05 6.15396623e-13] [-1.39768928e-04 6.99526838e-05 4.61342770e-13] [ 1.39768929e-04 -6.99526827e-05 1.78508250e-13] [-1.39768927e-04 -6.99526838e-05 2.30636690e-13] [-1.60081150e-13 6.99526833e-05 1.39768928e-04] [-2.37674463e-13 -6.99526833e-05 1.39768928e-04] [ 8.06173704e-14 6.99526833e-05 -1.39768928e-04] [-2.20967342e-13 -6.99526825e-05 -1.39768929e-04] [-5.68365343e-05 2.27940498e-13 -5.68365335e-05] [-5.68365352e-05 3.21228504e-13 5.68365328e-05] [ 5.68365334e-05 7.67550086e-14 -5.68365348e-05] [ 5.68365344e-05 4.42127238e-13 5.68365337e-05] [ 1.39768928e-04 6.99526830e-05 -2.36844706e-13] [-1.39768928e-04 6.99526835e-05 -4.53409608e-13] [ 1.39768930e-04 -6.99526817e-05 5.55262420e-14] [-1.39768928e-04 -6.99526835e-05 -3.57837024e-13]] Final stress: [-3.37254075e-07 2.92949285e-05 -3.37254076e-07 -2.11131074e-16 5.15359314e-16 -2.22768220e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.49849032e-03 -1.09670086e-13 9.14927856e-14] [-1.49849032e-03 -5.27078381e-14 9.43134459e-14] [ 1.66793662e-14 4.91914278e-05 1.99068192e-14] [ 4.06619183e-14 -4.91914277e-05 1.42663659e-14] [ 6.90007947e-14 1.80298484e-14 -1.40112234e-03] [ 4.48252546e-14 2.02615702e-14 1.40112234e-03] [ 1.49849032e-03 -9.23198150e-14 1.65059840e-14] [-1.49849032e-03 -1.45624398e-13 3.87788288e-14] [ 2.72386280e-14 4.91914276e-05 6.21016192e-14] [ 4.51075809e-14 -4.91914276e-05 1.07908704e-14] [-2.43641912e-15 -1.09109190e-13 -1.40112234e-03] [ 6.33117690e-14 -2.50988970e-14 1.40112234e-03] [ 1.54509229e-04 -5.66709893e-06 -1.65314925e-04] [-1.54509229e-04 5.66709903e-06 -1.65314925e-04] [-1.54509229e-04 -5.66709911e-06 1.65314925e-04] [ 1.54509229e-04 5.66709907e-06 1.65314925e-04] [ 1.54509229e-04 -5.66709901e-06 1.65314925e-04] [-1.54509229e-04 5.66709919e-06 1.65314925e-04] [ 1.54509229e-04 5.66709899e-06 -1.65314925e-04] [-1.54509229e-04 -5.66709902e-06 -1.65314925e-04] [ 1.54509229e-04 -5.66709886e-06 -1.65314926e-04] [-1.54509229e-04 5.66709896e-06 -1.65314925e-04] [-1.54509229e-04 -5.66709892e-06 1.65314925e-04] [ 1.54509229e-04 5.66709895e-06 1.65314925e-04] [ 1.54509229e-04 -5.66709891e-06 1.65314925e-04] [-1.54509229e-04 5.66709894e-06 1.65314925e-04] [ 1.54509229e-04 5.66709892e-06 -1.65314926e-04] [-1.54509229e-04 -5.66709881e-06 -1.65314926e-04] [ 2.40002462e-13 -2.07805995e-13 2.14328555e-13] [-3.46836275e-14 2.75219263e-14 8.59815968e-14] [ 3.00870440e-14 -9.43970342e-05 6.89562031e-05] [ 2.15591434e-14 9.43970343e-05 6.89562029e-05] [ 1.21080229e-13 -9.43970343e-05 -6.89562029e-05] [ 8.24583457e-14 9.43970346e-05 -6.89562030e-05] [-1.86192570e-04 -2.22932783e-13 1.39615781e-04] [-1.86192570e-04 -2.20616928e-13 -1.39615781e-04] [ 1.86192570e-04 -3.16784793e-13 1.39615781e-04] [ 1.86192570e-04 -1.93501465e-13 -1.39615781e-04] [-1.11440931e-04 5.10132511e-05 2.63011835e-13] [ 1.11440932e-04 5.10132512e-05 4.61523181e-14] [-1.11440932e-04 -5.10132510e-05 2.38746523e-13] [ 1.11440932e-04 -5.10132511e-05 -4.10400880e-14] [ 2.45931747e-14 -9.43970345e-05 6.89562033e-05] [-6.11021650e-14 9.43970348e-05 6.89562033e-05] [-6.69572904e-14 -9.43970345e-05 -6.89562032e-05] [-2.04895562e-13 9.43970348e-05 -6.89562035e-05] [-1.86192570e-04 -1.25500849e-13 1.39615781e-04] [-1.86192570e-04 -8.24429500e-14 -1.39615780e-04] [ 1.86192570e-04 -1.24828099e-13 1.39615780e-04] [ 1.86192570e-04 -9.61188594e-14 -1.39615780e-04] [-1.11440932e-04 5.10132513e-05 6.20417004e-14] [ 1.11440932e-04 5.10132513e-05 2.95790309e-14] [-1.11440932e-04 -5.10132513e-05 -2.59487866e-15] [ 1.11440931e-04 -5.10132510e-05 1.29241236e-14]] Final stress: [-1.76483907e-05 3.15088017e-07 1.82926080e-05 -4.65508561e-17 -3.65756727e-17 -5.65260396e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.40110476e-03 -4.71458809e-14 -4.42094278e-15] [ 1.40110476e-03 -6.72240041e-14 7.49400542e-16] [ 6.51020036e-14 4.91909714e-05 7.73422125e-14] [ 1.41692214e-13 -4.91909713e-05 -2.10387263e-14] [ 1.42665393e-13 -3.89358684e-15 1.49847190e-03] [ 1.94427807e-13 -9.54791801e-15 -1.49847190e-03] [-1.40110476e-03 -9.80704233e-14 -2.93094373e-14] [ 1.40110476e-03 -2.57940370e-14 -2.30212320e-14] [-2.99105359e-14 4.91909718e-05 1.05857360e-13] [-6.47051857e-15 -4.91909713e-05 6.53762104e-14] [ 8.39064061e-14 -7.15948034e-14 1.49847190e-03] [ 6.92757483e-14 -1.69866260e-14 -1.49847190e-03] [-1.65314006e-04 -5.66705590e-06 1.54508372e-04] [ 1.65314006e-04 5.66705603e-06 1.54508372e-04] [ 1.65314006e-04 -5.66705604e-06 -1.54508372e-04] [-1.65314006e-04 5.66705588e-06 -1.54508372e-04] [-1.65314006e-04 -5.66705604e-06 -1.54508372e-04] [ 1.65314006e-04 5.66705611e-06 -1.54508373e-04] [-1.65314006e-04 5.66705586e-06 1.54508372e-04] [ 1.65314005e-04 -5.66705589e-06 1.54508372e-04] [-1.65314006e-04 -5.66705581e-06 1.54508372e-04] [ 1.65314006e-04 5.66705608e-06 1.54508372e-04] [ 1.65314006e-04 -5.66705585e-06 -1.54508373e-04] [-1.65314006e-04 5.66705588e-06 -1.54508373e-04] [-1.65314006e-04 -5.66705578e-06 -1.54508372e-04] [ 1.65314006e-04 5.66705594e-06 -1.54508373e-04] [-1.65314006e-04 5.66705600e-06 1.54508372e-04] [ 1.65314006e-04 -5.66705585e-06 1.54508372e-04] [ 2.82829316e-13 -1.90319982e-13 4.36067848e-13] [-4.01679558e-14 2.68359919e-15 1.57450163e-15] [ 7.41628980e-14 5.10492882e-05 -1.11487068e-04] [ 9.02177638e-14 -5.10492882e-05 -1.11487068e-04] [ 2.07235271e-13 5.10492881e-05 1.11487068e-04] [-6.51909082e-15 -5.10492879e-05 1.11487068e-04] [ 1.39698067e-04 -2.88991053e-13 -1.86274555e-04] [ 1.39698067e-04 -2.65076155e-13 1.86274555e-04] [-1.39698067e-04 -1.78433657e-13 -1.86274555e-04] [-1.39698067e-04 -1.14089294e-13 1.86274555e-04] [ 6.90025638e-05 -9.44327729e-05 3.53495011e-13] [-6.90025637e-05 -9.44327729e-05 2.03614903e-13] [ 6.90025638e-05 9.44327730e-05 8.58011578e-14] [-6.90025636e-05 9.44327728e-05 2.56392130e-14] [-4.84564645e-14 5.10492879e-05 -1.11487068e-04] [ 4.53760293e-15 -5.10492881e-05 -1.11487068e-04] [-1.00851185e-13 5.10492878e-05 1.11487068e-04] [-4.59614985e-15 -5.10492875e-05 1.11487068e-04] [ 1.39698067e-04 -9.27701222e-15 -1.86274555e-04] [ 1.39698067e-04 -2.89226108e-14 1.86274555e-04] [-1.39698067e-04 -1.31432625e-13 -1.86274555e-04] [-1.39698067e-04 -1.19532856e-13 1.86274555e-04] [ 6.90025635e-05 -9.44327728e-05 1.51021031e-13] [-6.90025635e-05 -9.44327728e-05 4.74365759e-14] [ 6.90025635e-05 9.44327729e-05 3.76329928e-14] [-6.90025638e-05 9.44327728e-05 4.20379877e-14]] Final stress: [ 1.82923517e-05 3.15085248e-07 -1.76481401e-05 1.08064487e-16 2.32754281e-17 -3.15880809e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.71211936e-04 -1.02528229e-13 -9.67212421e-14] [ 4.71211936e-04 -7.13873405e-14 -6.43929354e-14] [ 8.78160392e-15 1.69728960e-04 -9.36872108e-14] [-8.31279490e-14 -1.69728960e-04 -6.73350264e-14] [-1.46008206e-13 -1.70404489e-13 -4.71211936e-04] [-9.28701560e-14 -7.13040738e-14 4.71211935e-04] [-4.71211935e-04 4.17721413e-13 6.21712658e-14] [ 4.71211936e-04 2.29693434e-13 1.02239935e-13] [ 2.37618085e-14 1.69728960e-04 7.65476230e-14] [ 9.11354325e-14 -1.69728959e-04 8.31838514e-14] [ 2.37986714e-14 5.53201628e-14 -4.71211935e-04] [ 4.91863494e-14 1.90141553e-13 4.71211936e-04] [-6.51247876e-05 -2.92259857e-04 -6.51247877e-05] [ 6.51247874e-05 2.92259856e-04 -6.51247881e-05] [ 6.51247877e-05 -2.92259857e-04 6.51247877e-05] [-6.51247879e-05 2.92259857e-04 6.51247877e-05] [-6.51247879e-05 -2.92259857e-04 6.51247875e-05] [ 6.51247879e-05 2.92259857e-04 6.51247877e-05] [-6.51247876e-05 2.92259857e-04 -6.51247878e-05] [ 6.51247875e-05 -2.92259857e-04 -6.51247880e-05] [-6.51247877e-05 -2.92259857e-04 -6.51247876e-05] [ 6.51247877e-05 2.92259857e-04 -6.51247879e-05] [ 6.51247876e-05 -2.92259857e-04 6.51247876e-05] [-6.51247876e-05 2.92259857e-04 6.51247877e-05] [-6.51247877e-05 -2.92259856e-04 6.51247875e-05] [ 6.51247877e-05 2.92259857e-04 6.51247877e-05] [-6.51247877e-05 2.92259857e-04 -6.51247877e-05] [ 6.51247878e-05 -2.92259857e-04 -6.51247879e-05] [-4.52943238e-13 -2.65593103e-13 2.72531997e-13] [-3.70197362e-13 -5.70126973e-13 -5.72558192e-13] [ 9.68114477e-14 -8.59498641e-06 -1.41827617e-04] [ 9.40150735e-14 8.59498688e-06 -1.41827616e-04] [ 8.01442246e-15 -8.59498690e-06 1.41827617e-04] [-1.28723421e-13 8.59498733e-06 1.41827616e-04] [ 6.37607580e-05 6.55031585e-15 6.37607564e-05] [ 6.37607568e-05 -1.09514828e-13 -6.37607576e-05] [-6.37607576e-05 -2.89684943e-13 6.37607572e-05] [-6.37607567e-05 -2.61277111e-13 -6.37607577e-05] [-1.41827617e-04 -8.59498707e-06 -3.87689880e-13] [ 1.41827617e-04 -8.59498657e-06 -5.48111903e-13] [-1.41827617e-04 8.59498643e-06 -4.42659798e-13] [ 1.41827617e-04 8.59498703e-06 -2.72396689e-13] [ 3.63526917e-13 -8.59498666e-06 -1.41827616e-04] [-6.09668566e-14 8.59498708e-06 -1.41827616e-04] [ 1.15611513e-13 -8.59498613e-06 1.41827617e-04] [-5.59900216e-13 8.59498628e-06 1.41827617e-04] [ 6.37607572e-05 -4.80916397e-13 6.37607577e-05] [ 6.37607573e-05 -3.11669527e-13 -6.37607574e-05] [-6.37607572e-05 -2.23133144e-14 6.37607577e-05] [-6.37607574e-05 -5.22676520e-14 -6.37607571e-05] [-1.41827617e-04 -8.59498671e-06 4.99823766e-13] [ 1.41827616e-04 -8.59498715e-06 4.52634895e-13] [-1.41827617e-04 8.59498637e-06 4.58267200e-13] [ 1.41827617e-04 8.59498719e-06 6.17241067e-13]] Final stress: [-1.53260652e-06 -2.84427963e-05 -1.53260653e-06 -3.14233622e-16 -2.07826470e-16 1.24695882e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.77677560e-04 -1.64950519e-13 2.93188217e-13] [-3.77677561e-04 -7.47180096e-14 4.39093206e-14] [-9.69710423e-15 -2.05977410e-04 3.63314490e-05] [-1.35336187e-13 2.05977411e-04 -3.63314487e-05] [-2.15007699e-13 3.63314487e-05 -2.05977411e-04] [ 7.19979631e-14 -3.63314488e-05 2.05977411e-04] [ 3.77677560e-04 4.68228754e-13 -7.53520695e-14] [-3.77677560e-04 3.65124597e-14 4.49112654e-14] [-1.83022434e-13 -2.05977410e-04 3.63314485e-05] [ 3.02340618e-14 2.05977410e-04 -3.63314490e-05] [ 3.19362592e-14 3.63314488e-05 -2.05977410e-04] [-1.67767276e-13 -3.63314484e-05 2.05977410e-04] [ 2.16730606e-04 4.90869326e-05 4.90869328e-05] [ 2.75449153e-04 -2.68947203e-04 2.68947202e-04] [ 2.75449153e-04 2.68947202e-04 -2.68947202e-04] [ 2.16730606e-04 -4.90869329e-05 -4.90869331e-05] [-2.75449153e-04 2.68947202e-04 -2.68947202e-04] [-2.16730605e-04 -4.90869333e-05 -4.90869333e-05] [-2.75449153e-04 -2.68947202e-04 2.68947202e-04] [-2.16730605e-04 4.90869326e-05 4.90869330e-05] [ 2.16730606e-04 4.90869330e-05 4.90869326e-05] [ 2.75449153e-04 -2.68947202e-04 2.68947201e-04] [ 2.75449152e-04 2.68947202e-04 -2.68947202e-04] [ 2.16730606e-04 -4.90869328e-05 -4.90869327e-05] [-2.75449152e-04 2.68947202e-04 -2.68947202e-04] [-2.16730606e-04 -4.90869329e-05 -4.90869330e-05] [-2.75449153e-04 -2.68947202e-04 2.68947201e-04] [-2.16730605e-04 4.90869332e-05 4.90869327e-05] [ 2.41834330e-13 -1.12085341e-12 1.10339515e-12] [ 8.87167943e-14 1.75902233e-13 4.70155609e-13] [-3.95128374e-13 4.72698356e-04 4.72698356e-04] [ 5.59188112e-13 -2.31238249e-05 2.31238285e-05] [ 1.20667365e-14 2.31238261e-05 -2.31238263e-05] [ 4.63674238e-13 -4.72698355e-04 -4.72698357e-04] [ 4.50501466e-06 5.18814339e-04 1.53631787e-04] [ 4.50501532e-06 -5.18814337e-04 -1.53631786e-04] [-4.50501397e-06 5.18814338e-04 1.53631788e-04] [-4.50501474e-06 -5.18814337e-04 -1.53631787e-04] [ 4.50501400e-06 1.53631787e-04 5.18814339e-04] [-4.50501382e-06 1.53631787e-04 5.18814339e-04] [ 4.50501548e-06 -1.53631786e-04 -5.18814337e-04] [-4.50501421e-06 -1.53631787e-04 -5.18814337e-04] [-5.64115595e-13 4.72698355e-04 4.72698356e-04] [-5.07857211e-13 -2.31238271e-05 2.31238248e-05] [-2.69408194e-13 2.31238250e-05 -2.31238271e-05] [-4.15766813e-13 -4.72698355e-04 -4.72698356e-04] [ 4.50501404e-06 5.18814338e-04 1.53631787e-04] [ 4.50501358e-06 -5.18814338e-04 -1.53631788e-04] [-4.50501487e-06 5.18814337e-04 1.53631786e-04] [-4.50501402e-06 -5.18814338e-04 -1.53631787e-04] [ 4.50501536e-06 1.53631787e-04 5.18814337e-04] [-4.50501674e-06 1.53631785e-04 5.18814337e-04] [ 4.50501454e-06 -1.53631787e-04 -5.18814338e-04] [-4.50501448e-06 -1.53631787e-04 -5.18814338e-04]] Final stress: [-1.46136514e-05 1.05946293e-05 1.05946293e-05 1.16718673e-05 1.19699279e-16 6.98245795e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.33611397e-04 -1.17753030e-13 1.41816680e-13] [-4.33611397e-04 -1.15157883e-13 8.02413691e-14] [ 6.82188681e-14 3.91448223e-06 1.18243349e-04] [ 1.77913240e-14 -3.91448209e-06 -1.18243349e-04] [-4.57351171e-14 1.18243348e-04 3.91448194e-06] [-1.98452366e-14 -1.18243348e-04 -3.91448267e-06] [ 4.33611398e-04 1.32396698e-13 -1.61375863e-13] [-4.33611397e-04 7.99442977e-14 -1.55075967e-13] [ 3.78169718e-15 3.91448247e-06 1.18243349e-04] [-1.86226902e-14 -3.91448201e-06 -1.18243348e-04] [ 5.45232262e-14 1.18243349e-04 3.91448223e-06] [ 2.05816267e-14 -1.18243349e-04 -3.91448197e-06] [-2.85982638e-04 1.39696312e-04 1.39696312e-04] [-1.58355380e-04 -1.52024451e-04 1.52024451e-04] [-1.58355381e-04 1.52024451e-04 -1.52024450e-04] [-2.85982638e-04 -1.39696312e-04 -1.39696312e-04] [ 1.58355381e-04 1.52024451e-04 -1.52024451e-04] [ 2.85982638e-04 -1.39696312e-04 -1.39696312e-04] [ 1.58355381e-04 -1.52024451e-04 1.52024451e-04] [ 2.85982638e-04 1.39696312e-04 1.39696312e-04] [-2.85982638e-04 1.39696312e-04 1.39696312e-04] [-1.58355381e-04 -1.52024451e-04 1.52024451e-04] [-1.58355381e-04 1.52024451e-04 -1.52024451e-04] [-2.85982638e-04 -1.39696312e-04 -1.39696312e-04] [ 1.58355381e-04 1.52024451e-04 -1.52024451e-04] [ 2.85982638e-04 -1.39696312e-04 -1.39696312e-04] [ 1.58355380e-04 -1.52024450e-04 1.52024450e-04] [ 2.85982638e-04 1.39696312e-04 1.39696312e-04] [ 3.61294328e-13 -6.27997654e-13 4.53775906e-13] [-5.60150450e-13 -3.36470153e-13 -4.65987455e-13] [-3.41060513e-13 -9.07302419e-05 -9.07302395e-05] [-5.54160884e-13 -5.80792249e-04 5.80792251e-04] [-3.89438481e-13 5.80792249e-04 -5.80792250e-04] [-2.77930456e-13 9.07302409e-05 9.07302404e-05] [ 1.71316666e-05 -2.83474669e-04 8.99535675e-05] [ 1.71316663e-05 2.83474669e-04 -8.99535679e-05] [-1.71316680e-05 -2.83474669e-04 8.99535659e-05] [-1.71316670e-05 2.83474669e-04 -8.99535670e-05] [ 1.71316655e-05 8.99535687e-05 -2.83474670e-04] [-1.71316657e-05 8.99535685e-05 -2.83474670e-04] [ 1.71316656e-05 -8.99535686e-05 2.83474669e-04] [-1.71316659e-05 -8.99535682e-05 2.83474670e-04] [ 1.83511626e-13 -9.07302401e-05 -9.07302410e-05] [ 1.38193276e-13 -5.80792250e-04 5.80792249e-04] [ 5.35426738e-13 5.80792251e-04 -5.80792249e-04] [ 4.05008058e-13 9.07302391e-05 9.07302416e-05] [ 1.71316661e-05 -2.83474670e-04 8.99535681e-05] [ 1.71316654e-05 2.83474670e-04 -8.99535685e-05] [-1.71316660e-05 -2.83474669e-04 8.99535684e-05] [-1.71316650e-05 2.83474669e-04 -8.99535691e-05] [ 1.71316674e-05 8.99535667e-05 -2.83474669e-04] [-1.71316661e-05 8.99535680e-05 -2.83474669e-04] [ 1.71316678e-05 -8.99535662e-05 2.83474670e-04] [-1.71316668e-05 -8.99535674e-05 2.83474669e-04]] Final stress: [-1.41028591e-05 1.08884854e-05 1.08884854e-05 -9.91192925e-06 1.99498799e-17 3.65747797e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.44300011e-04 -1.24600850e-14 -1.14558970e-13] [ 4.44300011e-04 -6.52811138e-14 9.93649607e-14] [-9.79095277e-14 -1.24091213e-05 -8.39443704e-05] [-9.06497100e-14 1.24091212e-05 8.39443701e-05] [ 6.99284380e-14 -8.39443704e-05 -1.24091216e-05] [-4.13002965e-14 8.39443704e-05 1.24091211e-05] [-4.44300012e-04 2.33519801e-14 6.24160992e-14] [ 4.44300011e-04 1.02173478e-13 -1.29413211e-13] [-5.64132074e-14 -1.24091210e-05 -8.39443703e-05] [ 3.04634790e-14 1.24091214e-05 8.39443703e-05] [-3.35053166e-14 -8.39443702e-05 -1.24091217e-05] [ 9.13882685e-14 8.39443701e-05 1.24091215e-05] [ 3.04565600e-04 -1.51821528e-04 -1.51821527e-04] [ 1.78251655e-04 1.45466728e-04 -1.45466728e-04] [ 1.78251655e-04 -1.45466728e-04 1.45466728e-04] [ 3.04565600e-04 1.51821528e-04 1.51821527e-04] [-1.78251655e-04 -1.45466728e-04 1.45466728e-04] [-3.04565600e-04 1.51821527e-04 1.51821527e-04] [-1.78251655e-04 1.45466728e-04 -1.45466728e-04] [-3.04565600e-04 -1.51821527e-04 -1.51821527e-04] [ 3.04565600e-04 -1.51821528e-04 -1.51821527e-04] [ 1.78251655e-04 1.45466728e-04 -1.45466728e-04] [ 1.78251655e-04 -1.45466728e-04 1.45466728e-04] [ 3.04565600e-04 1.51821527e-04 1.51821527e-04] [-1.78251655e-04 -1.45466728e-04 1.45466728e-04] [-3.04565600e-04 1.51821527e-04 1.51821527e-04] [-1.78251655e-04 1.45466728e-04 -1.45466728e-04] [-3.04565600e-04 -1.51821527e-04 -1.51821527e-04] [-5.25413046e-14 -2.33424391e-14 4.89858154e-13] [ 4.49357131e-13 -2.22136558e-13 3.29423384e-14] [-1.62092562e-13 8.94338582e-05 8.94338566e-05] [-2.69850114e-13 5.73580573e-04 -5.73580575e-04] [ 1.04038306e-13 -5.73580574e-04 5.73580574e-04] [ 2.24417707e-13 -8.94338573e-05 -8.94338571e-05] [-4.50773790e-05 2.89126647e-04 -6.25625981e-05] [-4.50773793e-05 -2.89126647e-04 6.25625978e-05] [ 4.50773795e-05 2.89126647e-04 -6.25625978e-05] [ 4.50773795e-05 -2.89126647e-04 6.25625976e-05] [-4.50773793e-05 -6.25625974e-05 2.89126647e-04] [ 4.50773783e-05 -6.25625987e-05 2.89126647e-04] [-4.50773785e-05 6.25625983e-05 -2.89126647e-04] [ 4.50773779e-05 6.25625988e-05 -2.89126647e-04] [ 1.19474309e-13 8.94338569e-05 8.94338581e-05] [ 2.39096069e-13 5.73580574e-04 -5.73580574e-04] [-2.78710215e-13 -5.73580574e-04 5.73580573e-04] [ 1.63804734e-13 -8.94338573e-05 -8.94338573e-05] [-4.50773787e-05 2.89126647e-04 -6.25625984e-05] [-4.50773777e-05 -2.89126647e-04 6.25625994e-05] [ 4.50773792e-05 2.89126647e-04 -6.25625978e-05] [ 4.50773788e-05 -2.89126647e-04 6.25625984e-05] [-4.50773797e-05 -6.25625973e-05 2.89126647e-04] [ 4.50773794e-05 -6.25625977e-05 2.89126647e-04] [-4.50773791e-05 6.25625977e-05 -2.89126647e-04] [ 4.50773791e-05 6.25625977e-05 -2.89126647e-04]] Final stress: [ 1.38615786e-05 -1.12067651e-05 -1.12067651e-05 1.02605540e-05 -2.16134252e-16 -2.99262810e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.23343769e-04 -2.18696589e-13 1.24505441e-14] [ 4.23343769e-04 -1.86184401e-13 -1.08163478e-13] [-3.09184102e-14 1.47421913e-05 1.35352734e-04] [-4.10504963e-14 -1.47421913e-05 -1.35352734e-04] [-2.89772546e-14 1.35352734e-04 1.47421912e-05] [ 1.78468351e-14 -1.35352735e-04 -1.47421915e-05] [-4.23343769e-04 1.76662938e-13 2.50266289e-14] [ 4.23343769e-04 -3.17905424e-14 -1.93834554e-14] [-8.04430307e-14 1.47421912e-05 1.35352734e-04] [ 8.99215598e-14 -1.47421915e-05 -1.35352734e-04] [-5.68117602e-14 1.35352735e-04 1.47421913e-05] [-1.08523000e-13 -1.35352734e-04 -1.47421916e-05] [-1.47589130e-04 -1.54241901e-04 -1.54241901e-04] [-2.57553118e-04 1.46666407e-04 -1.46666407e-04] [-2.57553118e-04 -1.46666407e-04 1.46666407e-04] [-1.47589130e-04 1.54241901e-04 1.54241901e-04] [ 2.57553118e-04 -1.46666407e-04 1.46666407e-04] [ 1.47589130e-04 1.54241901e-04 1.54241901e-04] [ 2.57553118e-04 1.46666407e-04 -1.46666407e-04] [ 1.47589130e-04 -1.54241902e-04 -1.54241901e-04] [-1.47589130e-04 -1.54241901e-04 -1.54241901e-04] [-2.57553118e-04 1.46666407e-04 -1.46666407e-04] [-2.57553118e-04 -1.46666407e-04 1.46666407e-04] [-1.47589130e-04 1.54241901e-04 1.54241901e-04] [ 2.57553118e-04 -1.46666407e-04 1.46666407e-04] [ 1.47589130e-04 1.54241901e-04 1.54241901e-04] [ 2.57553117e-04 1.46666407e-04 -1.46666407e-04] [ 1.47589130e-04 -1.54241901e-04 -1.54241901e-04] [ 9.38138456e-15 -6.68326505e-13 5.74845727e-13] [-2.61345633e-13 6.52593207e-13 8.91343935e-14] [-6.75126621e-13 -5.80437486e-04 -5.80437486e-04] [ 1.62994618e-13 -7.28313328e-05 7.28313353e-05] [-6.88026025e-13 7.28313325e-05 -7.28313349e-05] [ 4.19525525e-14 5.80437487e-04 5.80437485e-04] [ 7.79697907e-06 -2.98167418e-04 -1.31707981e-04] [ 7.79697881e-06 2.98167418e-04 1.31707981e-04] [-7.79698057e-06 -2.98167418e-04 -1.31707982e-04] [-7.79697917e-06 2.98167417e-04 1.31707981e-04] [ 7.79697873e-06 -1.31707981e-04 -2.98167418e-04] [-7.79697833e-06 -1.31707981e-04 -2.98167418e-04] [ 7.79697820e-06 1.31707980e-04 2.98167418e-04] [-7.79697710e-06 1.31707979e-04 2.98167418e-04] [-3.01112434e-13 -5.80437485e-04 -5.80437487e-04] [-3.10328586e-13 -7.28313337e-05 7.28313341e-05] [-7.20118409e-14 7.28313349e-05 -7.28313328e-05] [ 3.12852175e-13 5.80437485e-04 5.80437486e-04] [ 7.79697748e-06 -2.98167418e-04 -1.31707979e-04] [ 7.79697813e-06 2.98167418e-04 1.31707980e-04] [-7.79697812e-06 -2.98167417e-04 -1.31707980e-04] [-7.79697836e-06 2.98167418e-04 1.31707980e-04] [ 7.79697997e-06 -1.31707982e-04 -2.98167418e-04] [-7.79697985e-06 -1.31707982e-04 -2.98167418e-04] [ 7.79698023e-06 1.31707983e-04 2.98167419e-04] [-7.79697822e-06 1.31707980e-04 2.98167418e-04]] Final stress: [ 1.38308427e-05 -1.08692594e-05 -1.08692594e-05 -9.73246690e-06 2.49385675e-16 -3.99017080e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.32913515e-04 -5.00112105e-14 -1.20999385e-04] [-4.32913515e-04 1.07663878e-13 1.20999385e-04] [ 2.06261657e-13 1.79371879e-06 4.77929328e-14] [ 2.84217094e-14 -1.79371852e-06 3.83026943e-14] [-1.20602909e-04 -4.73891759e-14 2.33257927e-06] [ 1.20602909e-04 -7.09710068e-14 -2.33257983e-06] [ 4.32913515e-04 9.24824453e-15 -1.20999385e-04] [-4.32913515e-04 -4.47606362e-14 1.20999385e-04] [-1.54362634e-13 1.79371823e-06 -4.64116698e-14] [-1.02459707e-13 -1.79371857e-06 -1.62306804e-14] [-1.20602908e-04 7.62177848e-14 2.33257982e-06] [ 1.20602908e-04 1.02742540e-13 -2.33257940e-06] [-5.64452262e-05 3.65381143e-04 1.52382525e-04] [ 6.97053663e-05 7.38802149e-05 1.39570501e-04] [ 5.64452263e-05 3.65381142e-04 -1.52382525e-04] [-6.97053663e-05 7.38802150e-05 -1.39570501e-04] [-6.97053665e-05 -7.38802149e-05 -1.39570501e-04] [ 5.64452263e-05 -3.65381142e-04 -1.52382525e-04] [-5.64452259e-05 -3.65381143e-04 1.52382525e-04] [ 6.97053664e-05 -7.38802151e-05 1.39570501e-04] [-5.64452265e-05 3.65381142e-04 1.52382525e-04] [ 6.97053663e-05 7.38802150e-05 1.39570501e-04] [ 5.64452261e-05 3.65381143e-04 -1.52382526e-04] [-6.97053664e-05 7.38802148e-05 -1.39570501e-04] [-6.97053661e-05 -7.38802148e-05 -1.39570501e-04] [ 5.64452263e-05 -3.65381143e-04 -1.52382525e-04] [-5.64452266e-05 -3.65381143e-04 1.52382525e-04] [ 6.97053662e-05 -7.38802148e-05 1.39570501e-04] [ 2.77250445e-13 -3.29514194e-13 3.05533376e-13] [-4.85592035e-13 2.78295032e-13 1.44339470e-16] [ 2.84507389e-04 2.45672690e-04 2.45768980e-04] [ 2.84507389e-04 -2.45672690e-04 2.45768981e-04] [-2.84507390e-04 2.45672688e-04 -2.45768982e-04] [-2.84507389e-04 -2.45672688e-04 -2.45768982e-04] [ 3.49451351e-04 1.51767487e-13 4.30494380e-04] [-3.22198723e-04 -1.60132324e-14 2.41331557e-04] [ 3.22198722e-04 -1.68053071e-13 -2.41331559e-04] [-3.49451348e-04 -1.31823372e-13 -4.30494382e-04] [ 1.36036057e-05 9.44629503e-05 2.84223788e-04] [-1.36036054e-05 9.44629506e-05 -2.84223789e-04] [ 1.36036042e-05 -9.44629517e-05 2.84223788e-04] [-1.36036050e-05 -9.44629510e-05 -2.84223789e-04] [ 2.84507389e-04 2.45672687e-04 2.45768983e-04] [ 2.84507389e-04 -2.45672686e-04 2.45768984e-04] [-2.84507389e-04 2.45672689e-04 -2.45768982e-04] [-2.84507389e-04 -2.45672688e-04 -2.45768983e-04] [ 3.49451351e-04 -9.99957049e-14 4.30494379e-04] [-3.22198721e-04 -2.22418004e-13 2.41331560e-04] [ 3.22198722e-04 4.88562316e-13 -2.41331558e-04] [-3.49451352e-04 2.86208991e-13 -4.30494378e-04] [ 1.36036035e-05 9.44629527e-05 2.84223790e-04] [-1.36036038e-05 9.44629524e-05 -2.84223788e-04] [ 1.36036032e-05 -9.44629527e-05 2.84223790e-04] [-1.36036033e-05 -9.44629526e-05 -2.84223788e-04]] Final stress: [-1.40960454e-05 1.08625662e-05 1.08673120e-05 -8.81119694e-17 9.87250092e-06 7.31495595e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.46496068e-04 -1.13843830e-13 8.52157558e-05] [-4.46496068e-04 -2.01783035e-14 -8.52157558e-05] [ 8.30182277e-14 1.88288731e-05 1.48136711e-14] [ 2.55351296e-14 -1.88288728e-05 1.55431223e-14] [ 8.48392996e-05 3.45721715e-14 1.93711892e-05] [-8.48392997e-05 -2.53685961e-14 -1.93711891e-05] [ 4.46496068e-04 1.90654784e-14 8.52157560e-05] [-4.46496068e-04 2.65369324e-15 -8.52157560e-05] [-1.91251529e-13 1.88288726e-05 4.78346821e-15] [-2.03153466e-14 -1.88288727e-05 -1.23279480e-13] [ 8.48392997e-05 -8.02440613e-14 1.93711890e-05] [-8.48392996e-05 1.05598116e-13 -1.93711897e-05] [-7.00850344e-05 -1.01836227e-04 1.43558367e-04] [ 6.70896929e-05 -3.91102466e-04 1.46175477e-04] [ 7.00850343e-05 -1.01836227e-04 -1.43558367e-04] [-6.70896925e-05 -3.91102466e-04 -1.46175477e-04] [-6.70896927e-05 3.91102466e-04 -1.46175477e-04] [ 7.00850342e-05 1.01836227e-04 -1.43558367e-04] [-7.00850341e-05 1.01836227e-04 1.43558367e-04] [ 6.70896928e-05 3.91102466e-04 1.46175477e-04] [-7.00850342e-05 -1.01836226e-04 1.43558367e-04] [ 6.70896927e-05 -3.91102466e-04 1.46175477e-04] [ 7.00850342e-05 -1.01836227e-04 -1.43558368e-04] [-6.70896927e-05 -3.91102466e-04 -1.46175477e-04] [-6.70896929e-05 3.91102466e-04 -1.46175477e-04] [ 7.00850342e-05 1.01836227e-04 -1.43558367e-04] [-7.00850344e-05 1.01836227e-04 1.43558367e-04] [ 6.70896927e-05 3.91102466e-04 1.46175477e-04] [ 4.70817829e-13 -2.27484698e-13 1.34003919e-13] [-2.50480192e-13 2.64842254e-13 3.28448553e-13] [-2.79051004e-04 2.37847892e-04 2.37934296e-04] [-2.79051004e-04 -2.37847892e-04 2.37934296e-04] [ 2.79051003e-04 2.37847893e-04 -2.37934295e-04] [ 2.79051003e-04 -2.37847893e-04 -2.37934296e-04] [-2.85407375e-04 -3.52162743e-13 -2.94333205e-04] [ 3.92333595e-04 2.52084811e-13 -3.83513253e-04] [-3.92333594e-04 -6.26710489e-13 3.83513254e-04] [ 2.85407374e-04 2.23644020e-13 2.94333206e-04] [ 5.34326686e-05 4.44738125e-05 -2.78774464e-04] [-5.34326703e-05 4.44738108e-05 2.78774467e-04] [ 5.34326683e-05 -4.44738128e-05 -2.78774465e-04] [-5.34326704e-05 -4.44738107e-05 2.78774466e-04] [-2.79051003e-04 2.37847894e-04 2.37934295e-04] [-2.79051003e-04 -2.37847895e-04 2.37934294e-04] [ 2.79051004e-04 2.37847893e-04 -2.37934295e-04] [ 2.79051003e-04 -2.37847892e-04 -2.37934296e-04] [-2.85407374e-04 -1.15255190e-13 -2.94333206e-04] [ 3.92333594e-04 -3.45438955e-13 -3.83513253e-04] [-3.92333594e-04 1.71255805e-13 3.83513254e-04] [ 2.85407377e-04 -6.93260553e-14 2.94333203e-04] [ 5.34326704e-05 4.44738107e-05 -2.78774467e-04] [-5.34326702e-05 4.44738111e-05 2.78774466e-04] [ 5.34326706e-05 -4.44738106e-05 -2.78774466e-04] [-5.34326703e-05 -4.44738111e-05 2.78774466e-04]] Final stress: [-1.41365605e-05 1.10915919e-05 1.10965083e-05 1.19699279e-16 -1.02407486e-05 -2.74310848e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.14538814e-04 8.58358523e-14 -5.45090810e-05] [ 4.14538815e-04 -8.86235529e-14 5.45090813e-05] [-2.87534753e-14 6.89272160e-05 8.17445070e-15] [ 1.94566585e-14 -6.89272154e-05 8.12960810e-14] [-5.47946177e-05 6.85970378e-14 6.95188200e-05] [ 5.47946178e-05 1.29340982e-13 -6.95188205e-05] [-4.14538815e-04 -1.79686994e-14 -5.45090810e-05] [ 4.14538814e-04 2.06750849e-13 5.45090810e-05] [ 8.41570737e-14 6.89272151e-05 -8.87249426e-14] [-8.02300934e-14 -6.89272156e-05 -9.01664004e-14] [-5.47946179e-05 -1.84598001e-14 6.95188200e-05] [ 5.47946178e-05 2.33223555e-14 -6.95188205e-05] [ 1.03237080e-05 7.99749439e-05 -1.92113800e-04] [-8.68230630e-05 3.88600881e-04 -1.15964980e-04] [-1.03237079e-05 7.99749441e-05 1.92113800e-04] [ 8.68230628e-05 3.88600881e-04 1.15964980e-04] [ 8.68230630e-05 -3.88600881e-04 1.15964980e-04] [-1.03237081e-05 -7.99749439e-05 1.92113799e-04] [ 1.03237079e-05 -7.99749441e-05 -1.92113800e-04] [-8.68230628e-05 -3.88600881e-04 -1.15964980e-04] [ 1.03237079e-05 7.99749440e-05 -1.92113800e-04] [-8.68230627e-05 3.88600881e-04 -1.15964980e-04] [-1.03237081e-05 7.99749439e-05 1.92113800e-04] [ 8.68230627e-05 3.88600881e-04 1.15964980e-04] [ 8.68230630e-05 -3.88600881e-04 1.15964980e-04] [-1.03237079e-05 -7.99749441e-05 1.92113800e-04] [ 1.03237079e-05 -7.99749442e-05 -1.92113800e-04] [-8.68230628e-05 -3.88600881e-04 -1.15964980e-04] [-3.81972232e-13 -3.59601238e-13 5.53168622e-13] [ 3.37157385e-13 4.37566513e-13 1.51235430e-13] [ 3.69518622e-04 -2.48872213e-04 -2.48795371e-04] [ 3.69518621e-04 2.48872214e-04 -2.48795370e-04] [-3.69518622e-04 -2.48872213e-04 2.48795371e-04] [-3.69518622e-04 2.48872214e-04 2.48795370e-04] [ 2.78566032e-04 2.53574939e-13 1.77059182e-04] [-3.08722781e-04 2.39032752e-13 4.09831247e-04] [ 3.08722781e-04 4.22955074e-13 -4.09831247e-04] [-2.78566033e-04 5.13578763e-13 -1.77059182e-04] [-1.51008490e-05 -1.16485025e-04 3.69736889e-04] [ 1.51008485e-05 -1.16485025e-04 -3.69736888e-04] [-1.51008487e-05 1.16485025e-04 3.69736889e-04] [ 1.51008485e-05 1.16485025e-04 -3.69736888e-04] [ 3.69518622e-04 -2.48872213e-04 -2.48795371e-04] [ 3.69518622e-04 2.48872213e-04 -2.48795371e-04] [-3.69518622e-04 -2.48872214e-04 2.48795370e-04] [-3.69518622e-04 2.48872214e-04 2.48795370e-04] [ 2.78566032e-04 -1.29140113e-13 1.77059182e-04] [-3.08722781e-04 -2.04954326e-13 4.09831247e-04] [ 3.08722781e-04 -6.28554500e-13 -4.09831247e-04] [-2.78566031e-04 -2.29271463e-13 -1.77059183e-04] [-1.51008481e-05 -1.16485026e-04 3.69736888e-04] [ 1.51008481e-05 -1.16485026e-04 -3.69736888e-04] [-1.51008490e-05 1.16485025e-04 3.69736888e-04] [ 1.51008486e-05 1.16485025e-04 -3.69736888e-04]] Final stress: [ 1.40401224e-05 -1.09701640e-05 -1.09659380e-05 -1.84545399e-16 1.06287223e-05 3.32514233e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.20234808e-04 1.89301699e-15 1.17561827e-04] [ 4.20234809e-04 -6.22002450e-14 -1.17561826e-04] [ 3.44151790e-14 2.86443073e-05 -1.48780727e-13] [ 6.02295991e-14 -2.86443071e-05 -1.07108766e-13] [ 1.17923569e-04 2.06518830e-14 2.91955591e-05] [-1.17923569e-04 -4.09949852e-14 -2.91955594e-05] [-4.20234809e-04 5.95409139e-14 1.17561827e-04] [ 4.20234809e-04 -4.74477228e-14 -1.17561826e-04] [ 4.31668590e-14 2.86443074e-05 1.54432806e-13] [ 4.14980550e-14 -2.86443074e-05 -8.35686036e-14] [ 1.17923568e-04 -8.76982079e-15 2.91955595e-05] [-1.17923569e-04 1.59198806e-13 -2.91955596e-05] [ 5.96698367e-05 -3.60866967e-04 -1.45319349e-04] [-4.69888178e-05 -5.75211722e-05 -1.57551311e-04] [-5.96698366e-05 -3.60866967e-04 1.45319349e-04] [ 4.69888179e-05 -5.75211722e-05 1.57551311e-04] [ 4.69888177e-05 5.75211722e-05 1.57551311e-04] [-5.96698369e-05 3.60866967e-04 1.45319349e-04] [ 5.96698370e-05 3.60866967e-04 -1.45319350e-04] [-4.69888177e-05 5.75211723e-05 -1.57551311e-04] [ 5.96698371e-05 -3.60866967e-04 -1.45319350e-04] [-4.69888180e-05 -5.75211720e-05 -1.57551311e-04] [-5.96698369e-05 -3.60866967e-04 1.45319350e-04] [ 4.69888178e-05 -5.75211721e-05 1.57551311e-04] [ 4.69888178e-05 5.75211722e-05 1.57551311e-04] [-5.96698370e-05 3.60866967e-04 1.45319350e-04] [ 5.96698370e-05 3.60866967e-04 -1.45319349e-04] [-4.69888179e-05 5.75211724e-05 -1.57551311e-04] [-3.14359649e-13 -4.72899497e-13 2.51826338e-13] [ 1.33886825e-13 3.97355176e-13 8.50499870e-14] [-3.15766530e-04 -2.53044395e-04 -2.52950447e-04] [-3.15766530e-04 2.53044395e-04 -2.52950446e-04] [ 3.15766530e-04 -2.53044395e-04 2.52950447e-04] [ 3.15766530e-04 2.53044395e-04 2.52950447e-04] [-3.15096636e-04 -9.13935594e-13 -4.47436629e-04] [ 3.21301611e-04 -3.30586253e-14 -1.88669998e-04] [-3.21301610e-04 -1.34200984e-12 1.88669999e-04] [ 3.15096633e-04 1.16170962e-13 4.47436631e-04] [ 3.08677925e-06 -1.29492669e-04 -3.16027382e-04] [-3.08678009e-06 -1.29492670e-04 3.16027384e-04] [ 3.08677845e-06 1.29492668e-04 -3.16027383e-04] [-3.08677805e-06 1.29492668e-04 3.16027383e-04] [-3.15766530e-04 -2.53044398e-04 -2.52950445e-04] [-3.15766529e-04 2.53044398e-04 -2.52950444e-04] [ 3.15766530e-04 -2.53044398e-04 2.52950444e-04] [ 3.15766530e-04 2.53044401e-04 2.52950441e-04] [-3.15096631e-04 5.06887501e-13 -4.47436633e-04] [ 3.21301614e-04 2.73349485e-13 -1.88669995e-04] [-3.21301615e-04 3.29645165e-13 1.88669995e-04] [ 3.15096632e-04 -3.82039018e-13 4.47436633e-04] [ 3.08677583e-06 -1.29492665e-04 -3.16027384e-04] [-3.08677549e-06 -1.29492664e-04 3.16027383e-04] [ 3.08677641e-06 1.29492666e-04 -3.16027383e-04] [-3.08677543e-06 1.29492664e-04 3.16027383e-04]] Final stress: [ 1.38908190e-05 -1.08885759e-05 -1.08842872e-05 6.98279890e-17 -9.93950428e-06 2.87624812e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.39620395e-04 -1.03341564e-04 -2.90579193e-14] [-4.39620396e-04 1.03341564e-04 -2.02560191e-13] [-1.02955043e-04 1.07216492e-05 -1.95512009e-14] [ 1.02955043e-04 -1.07216489e-05 5.39290834e-14] [-4.72547348e-14 -1.27773226e-13 1.01811065e-05] [ 2.55073740e-14 -6.38100683e-14 -1.01811068e-05] [ 4.39620396e-04 -1.03341564e-04 -3.73133200e-14] [-4.39620395e-04 1.03341564e-04 7.06537309e-14] [-1.02955043e-04 1.07216491e-05 -7.48369835e-14] [ 1.02955043e-04 -1.07216491e-05 -7.47188964e-14] [-5.42287569e-14 3.62206946e-14 1.01811059e-05] [-1.69982951e-13 -3.43352746e-14 -1.01811067e-05] [-6.17024414e-05 1.49317630e-04 3.78080920e-04] [ 6.17024416e-05 -1.49317629e-04 3.78080920e-04] [ 6.98828177e-05 1.41550921e-04 8.76720016e-05] [-6.98828175e-05 -1.41550922e-04 8.76720013e-05] [-6.17024413e-05 1.49317630e-04 -3.78080920e-04] [ 6.17024414e-05 -1.49317630e-04 -3.78080920e-04] [-6.98828175e-05 -1.41550921e-04 -8.76720013e-05] [ 6.98828178e-05 1.41550921e-04 -8.76720014e-05] [-6.17024419e-05 1.49317629e-04 3.78080920e-04] [ 6.17024415e-05 -1.49317630e-04 3.78080920e-04] [ 6.98828175e-05 1.41550922e-04 8.76720011e-05] [-6.98828175e-05 -1.41550921e-04 8.76720015e-05] [-6.17024417e-05 1.49317630e-04 -3.78080920e-04] [ 6.17024415e-05 -1.49317630e-04 -3.78080920e-04] [-6.98828177e-05 -1.41550921e-04 -8.76720016e-05] [ 6.98828175e-05 1.41550921e-04 -8.76720012e-05] [ 8.39495140e-13 -1.91069383e-13 4.58938443e-13] [-6.50311402e-13 2.02979896e-13 5.70676942e-13] [ 2.81841907e-04 2.41912209e-04 2.41820762e-04] [-2.81841908e-04 -2.41912209e-04 2.41820761e-04] [ 2.81841907e-04 2.41912210e-04 -2.41820761e-04] [-2.81841908e-04 -2.41912211e-04 -2.41820760e-04] [ 3.32413615e-05 2.81561775e-04 6.98210907e-05] [ 3.32413621e-05 2.81561775e-04 -6.98210900e-05] [-3.32413626e-05 -2.81561775e-04 6.98210892e-05] [-3.32413630e-05 -2.81561776e-04 -6.98210890e-05] [ 3.70596783e-04 4.07338058e-04 3.03312930e-13] [ 3.04061037e-04 -2.67461124e-04 4.38185946e-13] [-3.04061037e-04 2.67461123e-04 4.88036694e-13] [-3.70596783e-04 -4.07338059e-04 8.42655806e-13] [ 2.81841907e-04 2.41912212e-04 2.41820759e-04] [-2.81841907e-04 -2.41912211e-04 2.41820760e-04] [ 2.81841908e-04 2.41912211e-04 -2.41820760e-04] [-2.81841907e-04 -2.41912211e-04 -2.41820760e-04] [ 3.32413614e-05 2.81561776e-04 6.98210907e-05] [ 3.32413603e-05 2.81561776e-04 -6.98210918e-05] [-3.32413613e-05 -2.81561775e-04 6.98210908e-05] [-3.32413604e-05 -2.81561775e-04 -6.98210916e-05] [ 3.70596785e-04 4.07338056e-04 -1.34480492e-13] [ 3.04061037e-04 -2.67461124e-04 -4.49474256e-13] [-3.04061035e-04 2.67461126e-04 -4.67624498e-13] [-3.70596785e-04 -4.07338057e-04 -4.68998972e-13]] Final stress: [-1.41165228e-05 1.09803980e-05 1.09755697e-05 7.48120495e-17 1.72898959e-16 1.00542204e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.15339111e-04 6.41375684e-05 8.71698547e-14] [-4.15339111e-04 -6.41375685e-05 5.16808818e-14] [ 6.38282175e-05 -6.94296220e-05 -5.03221596e-14] [-6.38282174e-05 6.94296222e-05 -3.73034936e-14] [ 2.11487512e-13 -1.09658376e-13 -7.00228542e-05] [ 1.77691195e-13 -1.05693232e-13 7.00228539e-05] [ 4.15339111e-04 6.41375688e-05 -4.49017861e-16] [-4.15339112e-04 -6.41375688e-05 5.26218388e-14] [ 6.38282168e-05 -6.94296232e-05 9.89938421e-14] [-6.38282171e-05 6.94296225e-05 7.49856931e-14] [-1.68720073e-13 8.42492238e-14 -7.00228539e-05] [-1.58779240e-13 1.25592320e-13 7.00228541e-05] [-1.72114398e-05 1.85260439e-04 -8.01584405e-05] [ 1.72114397e-05 -1.85260439e-04 -8.01584403e-05] [ 8.58575008e-05 1.16241580e-04 -3.81118819e-04] [-8.58575001e-05 -1.16241580e-04 -3.81118819e-04] [-1.72114397e-05 1.85260439e-04 8.01584403e-05] [ 1.72114397e-05 -1.85260439e-04 8.01584400e-05] [-8.58575001e-05 -1.16241580e-04 3.81118819e-04] [ 8.58575007e-05 1.16241580e-04 3.81118819e-04] [-1.72114399e-05 1.85260439e-04 -8.01584403e-05] [ 1.72114396e-05 -1.85260439e-04 -8.01584404e-05] [ 8.58575005e-05 1.16241580e-04 -3.81118819e-04] [-8.58575011e-05 -1.16241580e-04 -3.81118819e-04] [-1.72114398e-05 1.85260439e-04 8.01584402e-05] [ 1.72114396e-05 -1.85260439e-04 8.01584403e-05] [-8.58575011e-05 -1.16241580e-04 3.81118818e-04] [ 8.58575005e-05 1.16241580e-04 3.81118819e-04] [ 6.02434769e-13 -4.22828439e-13 5.48061596e-13] [ 1.22291934e-13 7.62263993e-13 2.13569060e-14] [-3.66784092e-04 2.46670323e-04 2.46591295e-04] [ 3.66784091e-04 -2.46670322e-04 2.46591297e-04] [-3.66784092e-04 2.46670323e-04 -2.46591296e-04] [ 3.66784091e-04 -2.46670322e-04 -2.46591297e-04] [ 1.13741839e-05 -3.66553106e-04 1.13869622e-04] [ 1.13741839e-05 -3.66553106e-04 -1.13869622e-04] [-1.13741845e-05 3.66553107e-04 1.13869621e-04] [-1.13741847e-05 3.66553108e-04 -1.13869620e-04] [-2.86606507e-04 -1.84221762e-04 1.62536651e-13] [-3.09407420e-04 4.12170623e-04 3.54036245e-13] [ 3.09407421e-04 -4.12170623e-04 9.85392323e-14] [ 2.86606505e-04 1.84221765e-04 1.25004174e-14] [-3.66784091e-04 2.46670322e-04 2.46591296e-04] [ 3.66784091e-04 -2.46670324e-04 2.46591294e-04] [-3.66784091e-04 2.46670322e-04 -2.46591296e-04] [ 3.66784091e-04 -2.46670324e-04 -2.46591295e-04] [ 1.13741838e-05 -3.66553108e-04 1.13869621e-04] [ 1.13741834e-05 -3.66553108e-04 -1.13869621e-04] [-1.13741826e-05 3.66553107e-04 1.13869622e-04] [-1.13741825e-05 3.66553107e-04 -1.13869622e-04] [-2.86606504e-04 -1.84221765e-04 1.59680794e-13] [-3.09407422e-04 4.12170622e-04 4.71472193e-14] [ 3.09407422e-04 -4.12170622e-04 1.47710989e-13] [ 2.86606507e-04 1.84221763e-04 2.43355249e-13]] Final stress: [-1.43075254e-05 1.07867001e-05 1.07822429e-05 8.31244994e-18 3.15873098e-17 -1.05140108e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.34928673e-04 -1.06276098e-04 1.54845754e-14] [ 4.34928673e-04 1.06276098e-04 -1.96259675e-13] [-1.06642988e-04 -6.67505004e-07 8.03367789e-14] [ 1.06642988e-04 6.67505483e-07 -8.32944824e-14] [ 6.24496115e-14 -5.90022822e-15 -1.20815687e-06] [ 4.58244553e-14 1.24067423e-14 1.20815700e-06] [-4.34928672e-04 -1.06276098e-04 1.12796577e-13] [ 4.34928673e-04 1.06276098e-04 1.43889192e-13] [-1.06642988e-04 -6.67505528e-07 -5.31938865e-14] [ 1.06642988e-04 6.67505236e-07 -3.25881817e-14] [ 6.85289499e-14 -1.00871250e-13 -1.20815725e-06] [-5.25881422e-14 1.27184679e-14 1.20815689e-06] [ 5.96366850e-05 -1.49510443e-04 7.53537240e-05] [-5.96366851e-05 1.49510444e-04 7.53537242e-05] [-6.02060661e-05 -1.49359370e-04 3.74687681e-04] [ 6.02060659e-05 1.49359370e-04 3.74687680e-04] [ 5.96366850e-05 -1.49510443e-04 -7.53537241e-05] [-5.96366851e-05 1.49510443e-04 -7.53537240e-05] [ 6.02060660e-05 1.49359370e-04 -3.74687681e-04] [-6.02060658e-05 -1.49359370e-04 -3.74687681e-04] [ 5.96366850e-05 -1.49510443e-04 7.53537242e-05] [-5.96366851e-05 1.49510443e-04 7.53537240e-05] [-6.02060659e-05 -1.49359370e-04 3.74687681e-04] [ 6.02060656e-05 1.49359370e-04 3.74687681e-04] [ 5.96366850e-05 -1.49510444e-04 -7.53537239e-05] [-5.96366851e-05 1.49510443e-04 -7.53537238e-05] [ 6.02060657e-05 1.49359370e-04 -3.74687681e-04] [-6.02060659e-05 -1.49359370e-04 -3.74687681e-04] [-5.97855099e-14 -4.13502566e-13 -3.75727227e-13] [-3.94341244e-13 1.90046417e-13 2.28879342e-13] [ 2.92681115e-04 -2.46994125e-04 -2.47085587e-04] [-2.92681115e-04 2.46994125e-04 -2.47085588e-04] [ 2.92681115e-04 -2.46994124e-04 2.47085588e-04] [-2.92681115e-04 2.46994125e-04 2.47085587e-04] [-2.36911208e-05 2.92949314e-04 -9.09402130e-05] [-2.36911194e-05 2.92949314e-04 9.09402143e-05] [ 2.36911200e-05 -2.92949314e-04 -9.09402140e-05] [ 2.36911194e-05 -2.92949313e-04 9.09402144e-05] [ 3.05385308e-04 2.38128348e-04 4.12003764e-13] [ 3.52727583e-04 -4.19786475e-04 5.66430583e-13] [-3.52727582e-04 4.19786476e-04 6.61363325e-14] [-3.05385308e-04 -2.38128348e-04 1.18302937e-13] [ 2.92681115e-04 -2.46994126e-04 -2.47085586e-04] [-2.92681115e-04 2.46994124e-04 -2.47085588e-04] [ 2.92681116e-04 -2.46994126e-04 2.47085586e-04] [-2.92681115e-04 2.46994126e-04 2.47085586e-04] [-2.36911197e-05 2.92949313e-04 -9.09402144e-05] [-2.36911195e-05 2.92949313e-04 9.09402145e-05] [ 2.36911192e-05 -2.92949314e-04 -9.09402148e-05] [ 2.36911191e-05 -2.92949313e-04 9.09402148e-05] [ 3.05385307e-04 2.38128348e-04 7.29206932e-14] [ 3.52727583e-04 -4.19786475e-04 -1.15025749e-13] [-3.52727583e-04 4.19786475e-04 -1.21767983e-13] [-3.05385307e-04 -2.38128349e-04 -7.01624089e-13]] Final stress: [ 1.38573367e-05 -1.10658846e-05 -1.10703642e-05 -1.76232544e-16 2.12809109e-16 1.00427202e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.47364939e-04 7.57733724e-05 9.71063507e-14] [ 4.47364940e-04 -7.57733723e-05 2.20573559e-13] [ 7.61224503e-05 -1.69368090e-05 -9.77386574e-14] [-7.61224504e-05 1.69368089e-05 1.71362924e-13] [ 6.07140206e-14 -5.82403049e-14 -1.74798522e-05] [ 4.03010958e-14 -2.31370478e-13 1.74798524e-05] [-4.47364940e-04 7.57733723e-05 7.13116943e-14] [ 4.47364940e-04 -7.57733723e-05 -6.98590466e-14] [ 7.61224503e-05 -1.69368090e-05 1.14079775e-13] [-7.61224504e-05 1.69368091e-05 -6.44779447e-14] [-1.12669856e-13 -1.69287835e-14 -1.74798522e-05] [-7.34416868e-14 1.37184625e-13 1.74798527e-05] [ 6.91759846e-05 -1.44135989e-04 -3.96694677e-04] [-6.91759847e-05 1.44135988e-04 -3.96694677e-04] [-6.04253894e-05 -1.52527789e-04 -9.95540801e-05] [ 6.04253897e-05 1.52527789e-04 -9.95540798e-05] [ 6.91759846e-05 -1.44135989e-04 3.96694677e-04] [-6.91759846e-05 1.44135989e-04 3.96694677e-04] [ 6.04253898e-05 1.52527789e-04 9.95540799e-05] [-6.04253895e-05 -1.52527789e-04 9.95540802e-05] [ 6.91759845e-05 -1.44135989e-04 -3.96694677e-04] [-6.91759846e-05 1.44135989e-04 -3.96694677e-04] [-6.04253898e-05 -1.52527789e-04 -9.95540800e-05] [ 6.04253897e-05 1.52527789e-04 -9.95540799e-05] [ 6.91759845e-05 -1.44135988e-04 3.96694677e-04] [-6.91759846e-05 1.44135989e-04 3.96694677e-04] [ 6.04253896e-05 1.52527790e-04 9.95540796e-05] [-6.04253895e-05 -1.52527789e-04 9.95540797e-05] [ 1.96009875e-13 5.60662627e-14 2.66897615e-13] [ 1.38902344e-13 1.83205750e-13 -4.37450697e-13] [-2.87173657e-04 -2.39999523e-04 -2.40082909e-04] [ 2.87173657e-04 2.39999523e-04 -2.40082909e-04] [-2.87173657e-04 -2.39999525e-04 2.40082908e-04] [ 2.87173658e-04 2.39999525e-04 2.40082907e-04] [-5.49563384e-05 -2.87435725e-04 -4.99322507e-05] [-5.49563384e-05 -2.87435725e-04 4.99322510e-05] [ 5.49563379e-05 2.87435725e-04 -4.99322513e-05] [ 5.49563390e-05 2.87435726e-04 4.99322504e-05] [-3.86859479e-04 -3.81682011e-04 -4.19109192e-13] [-2.76999096e-04 2.82036037e-04 -5.70297282e-13] [ 2.76999098e-04 -2.82036036e-04 -5.41769754e-13] [ 3.86859479e-04 3.81682011e-04 -7.85250337e-13] [-2.87173658e-04 -2.39999524e-04 -2.40082908e-04] [ 2.87173657e-04 2.39999524e-04 -2.40082909e-04] [-2.87173657e-04 -2.39999524e-04 2.40082909e-04] [ 2.87173657e-04 2.39999523e-04 2.40082909e-04] [-5.49563404e-05 -2.87435726e-04 -4.99322489e-05] [-5.49563380e-05 -2.87435726e-04 4.99322511e-05] [ 5.49563394e-05 2.87435726e-04 -4.99322502e-05] [ 5.49563378e-05 2.87435726e-04 4.99322515e-05] [-3.86859479e-04 -3.81682011e-04 5.84289235e-13] [-2.76999098e-04 2.82036036e-04 4.01049379e-13] [ 2.76999098e-04 -2.82036036e-04 6.62710792e-13] [ 3.86859479e-04 3.81682011e-04 2.44249933e-13]] Final stress: [ 1.38728235e-05 -1.12663724e-05 -1.12710017e-05 2.99262810e-17 4.82145638e-17 -1.03566661e-05] Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.93646211e-02 -8.17964967e-12 -4.34665325e-13] [ 1.93646211e-02 1.57868163e-12 -5.44933543e-12] [-5.78825312e-12 -3.57232463e-02 -4.27293834e-13] [-4.21188084e-12 3.57232463e-02 4.60076421e-13] [-9.52275585e-13 -7.40598555e-13 -1.93646211e-02] [-2.45040099e-12 -4.27083369e-12 1.93646211e-02] [-1.93646211e-02 4.62518825e-12 -6.72786759e-13] [ 1.93646211e-02 -2.11454942e-12 5.41220478e-12] [ 3.63298020e-12 -3.57232462e-02 -1.69739545e-12] [ 6.64186458e-12 3.57232462e-02 -2.13204324e-12] [ 2.47189639e-12 -3.51352296e-12 -1.93646211e-02] [-6.05948885e-13 -5.44708289e-12 1.93646211e-02] [-1.61235842e-02 1.53307999e-02 -1.61235842e-02] [ 1.61235842e-02 -1.53307999e-02 -1.61235842e-02] [ 1.61235842e-02 1.53307999e-02 1.61235842e-02] [-1.61235842e-02 -1.53307999e-02 1.61235842e-02] [-1.61235842e-02 1.53307999e-02 1.61235842e-02] [ 1.61235842e-02 -1.53307999e-02 1.61235842e-02] [-1.61235842e-02 -1.53307999e-02 -1.61235842e-02] [ 1.61235842e-02 1.53307999e-02 -1.61235842e-02] [-1.61235842e-02 1.53307999e-02 -1.61235842e-02] [ 1.61235842e-02 -1.53307999e-02 -1.61235842e-02] [ 1.61235843e-02 1.53307999e-02 1.61235843e-02] [-1.61235842e-02 -1.53307999e-02 1.61235842e-02] [-1.61235842e-02 1.53307999e-02 1.61235842e-02] [ 1.61235842e-02 -1.53307999e-02 1.61235843e-02] [-1.61235842e-02 -1.53307999e-02 -1.61235842e-02] [ 1.61235842e-02 1.53307999e-02 -1.61235842e-02] [-2.28658481e-11 9.30616695e-13 -2.99280878e-11] [-1.56025063e-12 9.25967951e-12 -6.05289794e-14] [-1.47144519e-11 5.88299703e-03 9.60088663e-04] [-2.35921178e-12 -5.88299703e-03 9.60088663e-04] [-1.40383382e-11 5.88299707e-03 -9.60088632e-04] [-3.90562494e-12 -5.88299706e-03 -9.60088631e-04] [-3.10742820e-02 2.43027820e-13 -3.10742820e-02] [-3.10742821e-02 2.17280707e-12 3.10742820e-02] [ 3.10742821e-02 1.12492810e-11 -3.10742820e-02] [ 3.10742821e-02 -4.58720735e-12 3.10742820e-02] [ 9.60088646e-04 5.88299705e-03 3.54372087e-12] [-9.60088633e-04 5.88299707e-03 -8.43000669e-12] [ 9.60088632e-04 -5.88299705e-03 3.34391542e-12] [-9.60088635e-04 -5.88299706e-03 7.33535674e-12] [-9.06059082e-13 5.88299705e-03 9.60088655e-04] [-8.64523860e-12 -5.88299703e-03 9.60088653e-04] [-6.87971728e-12 5.88299705e-03 -9.60088654e-04] [-1.52199863e-11 -5.88299705e-03 -9.60088633e-04] [-3.10742820e-02 -4.55118696e-12 -3.10742820e-02] [-3.10742821e-02 -1.34465789e-12 3.10742820e-02] [ 3.10742820e-02 5.88052784e-12 -3.10742820e-02] [ 3.10742821e-02 8.28280977e-12 3.10742820e-02] [ 9.60088652e-04 5.88299704e-03 -1.49256073e-11] [-9.60088650e-04 5.88299706e-03 -1.03061831e-11] [ 9.60088644e-04 -5.88299705e-03 -2.06982892e-11] [-9.60088639e-04 -5.88299707e-03 -1.24235986e-11]] Final stress: [-1.87573605e-04 9.72209110e-04 -1.87573606e-04 9.50016358e-15 1.39825649e-15 -9.91082869e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.78390117e-04 -1.56847625e-13 -1.15506563e-13] [ 1.78390116e-04 -1.27398092e-13 1.56707980e-13] [-1.00795240e-13 5.06751249e-04 -4.34322717e-14] [-7.03048730e-14 -5.06751248e-04 8.88455975e-14] [-3.02375312e-14 -1.44746194e-13 5.06751248e-04] [-1.46271883e-13 -1.22540866e-13 -5.06751248e-04] [-1.78390116e-04 -4.00348157e-14 2.86175020e-14] [ 1.78390117e-04 4.52333483e-14 -6.11928009e-14] [-9.46838094e-14 5.06751248e-04 2.81476468e-13] [ 2.50203504e-14 -5.06751248e-04 -4.94223665e-14] [-1.84334319e-13 1.00706066e-13 5.06751249e-04] [ 1.09946774e-13 1.60869036e-13 -5.06751248e-04] [ 3.21042911e-04 6.67191977e-05 6.67191976e-05] [-3.21042910e-04 -6.67191978e-05 6.67191973e-05] [-3.21042910e-04 6.67191973e-05 -6.67191976e-05] [ 3.21042911e-04 -6.67191975e-05 -6.67191977e-05] [ 3.21042910e-04 6.67191975e-05 -6.67191975e-05] [-3.21042910e-04 -6.67191971e-05 -6.67191974e-05] [ 3.21042910e-04 -6.67191978e-05 6.67191978e-05] [-3.21042910e-04 6.67191974e-05 6.67191976e-05] [ 3.21042910e-04 6.67191975e-05 6.67191972e-05] [-3.21042910e-04 -6.67191974e-05 6.67191974e-05] [-3.21042911e-04 6.67191980e-05 -6.67191976e-05] [ 3.21042910e-04 -6.67191975e-05 -6.67191971e-05] [ 3.21042910e-04 6.67191978e-05 -6.67191974e-05] [-3.21042910e-04 -6.67191977e-05 -6.67191974e-05] [ 3.21042910e-04 -6.67191971e-05 6.67191969e-05] [-3.21042910e-04 6.67191980e-05 6.67191977e-05] [ 7.48845430e-13 -6.72545353e-13 5.82534021e-13] [-4.26053724e-13 -6.98229630e-15 -6.76681408e-13] [-1.17073018e-12 -5.68365429e-05 -5.68365447e-05] [-8.47369050e-13 5.68365426e-05 -5.68365445e-05] [-7.44900669e-13 -5.68365432e-05 5.68365445e-05] [-5.26627353e-13 5.68365430e-05 5.68365442e-05] [ 6.99526268e-05 9.60342916e-14 1.39768965e-04] [ 6.99526275e-05 3.90137575e-13 -1.39768964e-04] [-6.99526277e-05 -5.11033924e-13 1.39768964e-04] [-6.99526289e-05 1.00388448e-13 -1.39768963e-04] [ 6.99526274e-05 1.39768964e-04 3.76476628e-13] [-6.99526293e-05 1.39768961e-04 -2.45489393e-13] [ 6.99526285e-05 -1.39768963e-04 3.94441424e-14] [-6.99526298e-05 -1.39768961e-04 -2.34479103e-13] [ 7.62558419e-13 -5.68365443e-05 -5.68365432e-05] [ 1.24142146e-12 5.68365437e-05 -5.68365440e-05] [ 5.82887905e-13 -5.68365448e-05 5.68365430e-05] [ 5.28247151e-13 5.68365445e-05 5.68365430e-05] [ 6.99526295e-05 1.60472322e-14 1.39768962e-04] [ 6.99526299e-05 -7.96608873e-14 -1.39768961e-04] [-6.99526281e-05 -4.69095249e-14 1.39768963e-04] [-6.99526281e-05 -3.64837500e-13 -1.39768963e-04] [ 6.99526277e-05 1.39768963e-04 -7.77450265e-14] [-6.99526272e-05 1.39768965e-04 -1.53809596e-14] [ 6.99526283e-05 -1.39768963e-04 -1.86230785e-13] [-6.99526264e-05 -1.39768965e-04 2.64520177e-13]] Final stress: [ 2.92949295e-05 -3.37254324e-07 -3.37254323e-07 1.91181681e-16 -4.92085022e-16 -4.37224192e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.92005528e-05 -1.38048861e-13 1.99363095e-14] [-4.92005523e-05 -6.71129818e-14 6.27276009e-15] [ 1.96135642e-13 1.49885882e-03 6.77353139e-14] [ 2.06251682e-13 -1.49885882e-03 2.34534614e-14] [ 2.56979767e-13 -7.32929342e-14 -1.40147393e-03] [ 2.88380431e-13 -1.17128529e-14 1.40147393e-03] [ 4.92005521e-05 9.02880201e-15 -6.18488566e-14] [-4.92005524e-05 2.13180168e-14 -1.10123649e-14] [-1.07192900e-13 1.49885882e-03 8.90135788e-14] [-6.72101264e-14 -1.49885882e-03 5.83459962e-14] [-5.44438626e-14 2.34389866e-14 -1.40147393e-03] [ 1.61012696e-14 -7.31612845e-15 1.40147393e-03] [-5.66795867e-06 1.54526353e-04 -1.65333312e-04] [ 5.66795895e-06 -1.54526353e-04 -1.65333312e-04] [ 5.66795884e-06 1.54526353e-04 1.65333312e-04] [-5.66795875e-06 -1.54526353e-04 1.65333312e-04] [-5.66795870e-06 1.54526353e-04 1.65333312e-04] [ 5.66795897e-06 -1.54526353e-04 1.65333312e-04] [-5.66795868e-06 -1.54526353e-04 -1.65333312e-04] [ 5.66795889e-06 1.54526353e-04 -1.65333312e-04] [-5.66795914e-06 1.54526353e-04 -1.65333312e-04] [ 5.66795857e-06 -1.54526353e-04 -1.65333312e-04] [ 5.66795860e-06 1.54526354e-04 1.65333312e-04] [-5.66795915e-06 -1.54526353e-04 1.65333312e-04] [-5.66795917e-06 1.54526354e-04 1.65333312e-04] [ 5.66795866e-06 -1.54526353e-04 1.65333312e-04] [-5.66795915e-06 -1.54526353e-04 -1.65333312e-04] [ 5.66795869e-06 1.54526354e-04 -1.65333312e-04] [ 3.12916359e-13 -1.77025061e-13 3.01397796e-13] [-1.43304639e-13 7.22641226e-15 1.47546278e-13] [ 1.28119737e-13 -1.84552986e-04 1.37970174e-04] [ 2.83710555e-13 1.84552985e-04 1.37970175e-04] [ 1.79935927e-13 -1.84552985e-04 -1.37970174e-04] [ 7.80625564e-16 1.84552986e-04 -1.37970174e-04] [-9.36823167e-05 -1.89404048e-13 6.80290635e-05] [-9.36823167e-05 -1.93334931e-13 -6.80290634e-05] [ 9.36823167e-05 -2.79347726e-13 6.80290631e-05] [ 9.36823169e-05 -1.23172306e-13 -6.80290632e-05] [ 5.02925680e-05 -1.10518277e-04 2.03836947e-13] [-5.02925678e-05 -1.10518277e-04 1.57041047e-13] [ 5.02925678e-05 1.10518277e-04 2.25980692e-13] [-5.02925680e-05 1.10518277e-04 1.22344843e-13] [-1.46237189e-14 -1.84552985e-04 1.37970174e-04] [-1.47727750e-13 1.84552985e-04 1.37970174e-04] [ 2.11545191e-14 -1.84552985e-04 -1.37970174e-04] [-1.90972672e-13 1.84552986e-04 -1.37970174e-04] [-9.36823166e-05 -1.26643615e-13 6.80290631e-05] [-9.36823170e-05 -1.03451969e-13 -6.80290633e-05] [ 9.36823166e-05 -1.42058674e-13 6.80290634e-05] [ 9.36823171e-05 9.33966446e-14 -6.80290636e-05] [ 5.02925681e-05 -1.10518277e-04 2.21819295e-13] [-5.02925682e-05 -1.10518277e-04 3.09761101e-14] [ 5.02925680e-05 1.10518277e-04 1.53712085e-15] [-5.02925685e-05 1.10518277e-04 1.82670719e-14]] Final stress: [ 3.15143361e-07 -1.76534014e-05 1.82977338e-05 9.97518346e-18 -1.92853547e-16 -5.15384479e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.92010088e-05 -1.67226042e-13 -2.39717100e-14] [-4.92010084e-05 -7.78266340e-14 2.32314168e-14] [ 2.10853904e-13 -1.40149150e-03 -6.48829948e-15] [ 2.38392639e-13 1.40149150e-03 1.31283873e-14] [ 2.83901375e-13 -6.38447628e-14 1.49887724e-03] [ 2.85105273e-13 -1.11993748e-13 -1.49887724e-03] [ 4.92010083e-05 -8.85177348e-14 1.89722484e-14] [-4.92010084e-05 -6.43530368e-14 -6.16796421e-14] [-7.32495661e-14 -1.40149150e-03 -5.82483196e-14] [-3.60562274e-14 1.40149150e-03 2.93273096e-14] [ 6.11012976e-15 -5.06444412e-14 1.49887724e-03] [-7.07593706e-15 -3.36752912e-14 -1.49887724e-03] [-5.66800169e-06 -1.65334231e-04 1.54527209e-04] [ 5.66800175e-06 1.65334231e-04 1.54527209e-04] [ 5.66800163e-06 -1.65334231e-04 -1.54527209e-04] [-5.66800177e-06 1.65334231e-04 -1.54527209e-04] [-5.66800174e-06 -1.65334231e-04 -1.54527209e-04] [ 5.66800180e-06 1.65334231e-04 -1.54527209e-04] [-5.66800171e-06 1.65334231e-04 1.54527209e-04] [ 5.66800171e-06 -1.65334231e-04 1.54527209e-04] [-5.66800212e-06 -1.65334231e-04 1.54527209e-04] [ 5.66800169e-06 1.65334231e-04 1.54527209e-04] [ 5.66800152e-06 -1.65334231e-04 -1.54527209e-04] [-5.66800215e-06 1.65334231e-04 -1.54527209e-04] [-5.66800216e-06 -1.65334231e-04 -1.54527209e-04] [ 5.66800159e-06 1.65334231e-04 -1.54527209e-04] [-5.66800227e-06 1.65334231e-04 1.54527209e-04] [ 5.66800152e-06 -1.65334231e-04 1.54527209e-04] [ 3.29791749e-13 -3.80168119e-13 2.83773005e-13] [-1.08694304e-13 -8.56966042e-14 -1.90368905e-14] [-1.23012711e-13 1.37887901e-04 -1.84471013e-04] [ 1.31528469e-13 -1.37887900e-04 -1.84471013e-04] [ 1.34179126e-13 1.37887901e-04 1.84471013e-04] [ 1.88528013e-13 -1.37887900e-04 1.84471013e-04] [ 5.02565368e-05 -1.39888101e-13 -1.10472148e-04] [ 5.02565369e-05 -1.93003599e-13 1.10472148e-04] [-5.02565369e-05 -1.42511003e-13 -1.10472148e-04] [-5.02565365e-05 -2.59188504e-13 1.10472148e-04] [-9.36465837e-05 6.79827104e-05 2.92210700e-13] [ 9.36465837e-05 6.79827099e-05 2.01564460e-13] [-9.36465836e-05 -6.79827101e-05 6.23234103e-14] [ 9.36465835e-05 -6.79827099e-05 9.78210568e-15] [-1.37465560e-13 1.37887901e-04 -1.84471012e-04] [-1.49459004e-13 -1.37887901e-04 -1.84471013e-04] [ 2.24343114e-14 1.37887901e-04 1.84471013e-04] [-1.36483706e-14 -1.37887900e-04 1.84471012e-04] [ 5.02565370e-05 -1.98260496e-13 -1.10472148e-04] [ 5.02565369e-05 -2.27631932e-13 1.10472148e-04] [-5.02565369e-05 -1.69707998e-13 -1.10472148e-04] [-5.02565365e-05 -1.23778158e-13 1.10472148e-04] [-9.36465835e-05 6.79827098e-05 1.51299983e-13] [ 9.36465836e-05 6.79827100e-05 -3.61874261e-14] [-9.36465835e-05 -6.79827095e-05 1.77111709e-14] [ 9.36465834e-05 -6.79827100e-05 6.23633090e-16]] Final stress: [ 3.15146127e-07 1.82979901e-05 -1.76536519e-05 -4.32257950e-17 6.65012231e-18 -1.09727018e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.69556986e-04 1.99416872e-13 1.74445094e-13] [-1.69556986e-04 6.70852263e-14 -2.80331314e-14] [-1.58978733e-14 -4.71417352e-04 -9.74836531e-14] [ 1.55153668e-14 4.71417353e-04 -8.95672425e-14] [ 1.18340233e-13 5.84697221e-14 -4.71417353e-04] [ 9.68669589e-14 1.08746345e-13 4.71417352e-04] [ 1.69556986e-04 7.57610120e-14 1.14925434e-13] [-1.69556986e-04 8.38305120e-15 -8.77676375e-14] [ 6.48361573e-14 -4.71417353e-04 1.84255693e-13] [-1.41614585e-13 4.71417353e-04 1.21144753e-13] [ 2.02936626e-14 2.84542921e-14 -4.71417351e-04] [ 1.58267496e-13 -2.98669247e-14 4.71417353e-04] [-2.92252291e-04 -6.50802785e-05 -6.50802785e-05] [ 2.92252291e-04 6.50802787e-05 -6.50802789e-05] [ 2.92252291e-04 -6.50802793e-05 6.50802785e-05] [-2.92252291e-04 6.50802792e-05 6.50802783e-05] [-2.92252291e-04 -6.50802790e-05 6.50802783e-05] [ 2.92252291e-04 6.50802792e-05 6.50802785e-05] [-2.92252291e-04 6.50802786e-05 -6.50802786e-05] [ 2.92252291e-04 -6.50802787e-05 -6.50802788e-05] [-2.92252291e-04 -6.50802790e-05 -6.50802789e-05] [ 2.92252291e-04 6.50802785e-05 -6.50802786e-05] [ 2.92252291e-04 -6.50802787e-05 6.50802786e-05] [-2.92252291e-04 6.50802789e-05 6.50802789e-05] [-2.92252291e-04 -6.50802788e-05 6.50802788e-05] [ 2.92252291e-04 6.50802783e-05 6.50802788e-05] [-2.92252291e-04 6.50802789e-05 -6.50802790e-05] [ 2.92252291e-04 -6.50802789e-05 -6.50802786e-05] [ 1.09612319e-12 1.43746126e-13 1.37612144e-13] [-4.83412789e-13 -1.75158704e-14 -7.05478297e-13] [-7.17648163e-13 6.38265403e-05 6.38265395e-05] [-1.05931930e-12 -6.38265406e-05 6.38265392e-05] [ 1.66099773e-13 6.38265400e-05 -6.38265394e-05] [-5.78599668e-14 -6.38265410e-05 -6.38265387e-05] [-7.96962913e-06 -1.36668454e-13 -1.42234944e-04] [-7.96962920e-06 -1.27006045e-13 1.42234944e-04] [ 7.96962878e-06 -1.82133822e-13 -1.42234945e-04] [ 7.96962915e-06 7.36277359e-13 1.42234944e-04] [-7.96962868e-06 -1.42234945e-04 1.74860126e-13] [ 7.96962743e-06 -1.42234946e-04 -4.86926471e-13] [-7.96962840e-06 1.42234945e-04 6.88754609e-14] [ 7.96962731e-06 1.42234947e-04 -4.47603760e-13] [-3.60115583e-14 6.38265388e-05 6.38265405e-05] [ 4.40272385e-13 -6.38265396e-05 6.38265402e-05] [ 7.25657815e-13 6.38265395e-05 -6.38265401e-05] [ 3.40932577e-13 -6.38265394e-05 -6.38265404e-05] [-7.96962751e-06 3.76945896e-14 -1.42234946e-04] [-7.96962715e-06 -7.63009447e-14 1.42234947e-04] [ 7.96962789e-06 -1.53673081e-13 -1.42234945e-04] [ 7.96962936e-06 -3.68507308e-14 1.42234945e-04] [-7.96962900e-06 -1.42234944e-04 -1.17008038e-13] [ 7.96962968e-06 -1.42234944e-04 3.18399580e-13] [-7.96962870e-06 1.42234944e-04 4.41147915e-13] [ 7.96962921e-06 1.42234944e-04 4.79517901e-13]] Final stress: [-2.84471190e-05 -1.53374322e-06 -1.53374322e-06 -5.15409645e-17 1.26358493e-16 2.74330940e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.35153588e-04 1.47790634e-13 -6.93859033e-14] [ 2.35153588e-04 1.33754119e-13 5.84254867e-14] [-1.17804638e-13 3.71479637e-04 6.82698110e-05] [ 1.01474384e-13 -3.71479637e-04 -6.82698116e-05] [ 1.61006191e-13 6.83637420e-05 -2.34430546e-04] [ 2.59847699e-13 -6.83637421e-05 2.34430545e-04] [-2.35153588e-04 -2.10172591e-13 -1.15524744e-13] [ 2.35153588e-04 4.46821399e-14 -1.06721854e-13] [ 1.75183652e-13 3.71479637e-04 6.82698112e-05] [-1.62968597e-13 -3.71479636e-04 -6.82698113e-05] [ 1.82831181e-14 6.83637422e-05 -2.34430546e-04] [-7.28119821e-14 -6.83637421e-05 2.34430546e-04] [ 4.14617599e-04 -1.53364913e-04 3.17199158e-05] [ 9.43392381e-05 -1.04038352e-04 2.89298936e-04] [ 9.43392379e-05 1.04038353e-04 -2.89298936e-04] [ 4.14617599e-04 1.53364913e-04 -3.17199155e-05] [-9.43392379e-05 1.04038353e-04 -2.89298937e-04] [-4.14617600e-04 1.53364914e-04 -3.17199155e-05] [-9.43392381e-05 -1.04038353e-04 2.89298936e-04] [-4.14617599e-04 -1.53364913e-04 3.17199157e-05] [ 4.14617599e-04 -1.53364914e-04 3.17199156e-05] [ 9.43392379e-05 -1.04038353e-04 2.89298936e-04] [ 9.43392379e-05 1.04038352e-04 -2.89298936e-04] [ 4.14617599e-04 1.53364913e-04 -3.17199159e-05] [-9.43392385e-05 1.04038352e-04 -2.89298936e-04] [-4.14617599e-04 1.53364913e-04 -3.17199157e-05] [-9.43392382e-05 -1.04038352e-04 2.89298937e-04] [-4.14617599e-04 -1.53364913e-04 3.17199158e-05] [ 4.60659288e-13 5.24719157e-13 3.05561132e-13] [-2.18495361e-13 -2.74012398e-13 2.93930927e-13] [ 3.66373598e-13 2.14686742e-04 3.65416696e-04] [-5.88782495e-13 2.01418732e-04 -5.15446675e-05] [ 4.33517805e-13 -2.01418734e-04 5.15446648e-05] [ 1.62043989e-13 -2.14686744e-04 -3.65416693e-04] [ 2.46544878e-04 5.53532682e-04 2.46593922e-04] [ 2.46544878e-04 -5.53532685e-04 -2.46593922e-04] [-2.46544878e-04 5.53532682e-04 2.46593922e-04] [-2.46544878e-04 -5.53532684e-04 -2.46593922e-04] [ 1.56854071e-04 6.60075488e-06 5.53431486e-04] [-1.56854072e-04 6.60075342e-06 5.53431485e-04] [ 1.56854070e-04 -6.60075608e-06 -5.53431485e-04] [-1.56854070e-04 -6.60075503e-06 -5.53431485e-04] [ 1.43800770e-13 2.14686746e-04 3.65416691e-04] [ 6.02223566e-13 2.01418731e-04 -5.15446681e-05] [ 5.21861200e-14 -2.01418730e-04 5.15446696e-05] [ 1.38658182e-13 -2.14686744e-04 -3.65416694e-04] [ 2.46544876e-04 5.53532684e-04 2.46593924e-04] [ 2.46544876e-04 -5.53532682e-04 -2.46593924e-04] [-2.46544876e-04 5.53532684e-04 2.46593925e-04] [-2.46544875e-04 -5.53532683e-04 -2.46593925e-04] [ 1.56854071e-04 6.60075319e-06 5.53431485e-04] [-1.56854072e-04 6.60075311e-06 5.53431485e-04] [ 1.56854074e-04 -6.60075119e-06 -5.53431485e-04] [-1.56854075e-04 -6.60075023e-06 -5.53431485e-04]] Final stress: [ 1.05797093e-05 -1.46526303e-05 1.05841427e-05 1.20088246e-05 -2.72648358e-16 -4.15622497e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.63140009e-05 9.26108149e-14 1.23367028e-13] [-2.63140008e-05 -1.19487753e-13 1.59261493e-13] [ 2.15574086e-14 4.52416599e-04 6.95895000e-05] [ 4.71567230e-14 -4.52416599e-04 -6.95895001e-05] [-4.72395560e-14 6.92215918e-05 2.68578855e-05] [-6.10622664e-14 -6.92215920e-05 -2.68578854e-05] [ 2.63140005e-05 -2.49956306e-14 1.78592291e-15] [-2.63140014e-05 5.15269251e-14 -1.66939556e-13] [-1.33064566e-13 4.52416598e-04 6.95895003e-05] [-9.00490620e-14 -4.52416599e-04 -6.95895001e-05] [-1.27208140e-13 6.92215918e-05 2.68578854e-05] [ 8.31027955e-14 -6.92215919e-05 -2.68578855e-05] [-1.14052606e-04 -7.02753845e-05 1.45268705e-04] [-4.02316355e-04 7.17267458e-05 1.43469718e-04] [-4.02316355e-04 -7.17267459e-05 -1.43469718e-04] [-1.14052606e-04 7.02753845e-05 -1.45268705e-04] [ 4.02316355e-04 -7.17267462e-05 -1.43469718e-04] [ 1.14052606e-04 7.02753844e-05 -1.45268705e-04] [ 4.02316355e-04 7.17267461e-05 1.43469718e-04] [ 1.14052606e-04 -7.02753844e-05 1.45268705e-04] [-1.14052606e-04 -7.02753843e-05 1.45268705e-04] [-4.02316355e-04 7.17267461e-05 1.43469718e-04] [-4.02316355e-04 -7.17267459e-05 -1.43469718e-04] [-1.14052606e-04 7.02753842e-05 -1.45268705e-04] [ 4.02316355e-04 -7.17267458e-05 -1.43469718e-04] [ 1.14052606e-04 7.02753843e-05 -1.45268705e-04] [ 4.02316355e-04 7.17267460e-05 1.43469718e-04] [ 1.14052606e-04 -7.02753844e-05 1.45268705e-04] [ 3.36675132e-14 1.18238752e-14 3.31956684e-13] [ 5.33096570e-13 5.77406124e-13 5.01201785e-14] [ 3.88578059e-14 -2.69291294e-04 -3.17545179e-04] [-1.54548249e-13 -4.11103598e-04 3.62923908e-04] [ 4.36064379e-13 4.11103599e-04 -3.62923908e-04] [ 4.38281356e-13 2.69291294e-04 3.17545179e-04] [ 2.34407305e-04 -2.76601415e-04 2.34489286e-04] [ 2.34407306e-04 2.76601416e-04 -2.34489286e-04] [-2.34407305e-04 -2.76601415e-04 2.34489286e-04] [-2.34407306e-04 2.76601416e-04 -2.34489285e-04] [ 2.25741993e-05 7.08723051e-05 -2.76328003e-04] [-2.25741995e-05 7.08723050e-05 -2.76328003e-04] [ 2.25742012e-05 -7.08723035e-05 2.76328004e-04] [-2.25742013e-05 -7.08723034e-05 2.76328003e-04] [-9.88458447e-14 -2.69291294e-04 -3.17545179e-04] [ 1.95795203e-13 -4.11103601e-04 3.62923906e-04] [-6.01931699e-14 4.11103599e-04 -3.62923908e-04] [ 1.74509712e-13 2.69291293e-04 3.17545180e-04] [ 2.34407304e-04 -2.76601416e-04 2.34489287e-04] [ 2.34407304e-04 2.76601415e-04 -2.34489286e-04] [-2.34407305e-04 -2.76601416e-04 2.34489286e-04] [-2.34407303e-04 2.76601415e-04 -2.34489287e-04] [ 2.25742017e-05 7.08723030e-05 -2.76328004e-04] [-2.25742014e-05 7.08723033e-05 -2.76328004e-04] [ 2.25742016e-05 -7.08723030e-05 2.76328003e-04] [-2.25742013e-05 -7.08723033e-05 2.76328003e-04]] Final stress: [ 1.11916422e-05 -1.41530613e-05 1.11966372e-05 -1.04015495e-05 -1.37986669e-16 -6.64995995e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.08394719e-05 1.05681089e-13 -1.52528164e-13] [-5.08394724e-05 3.28626015e-14 1.26981758e-13] [-1.76768322e-14 -4.19288962e-04 -7.11211403e-05] [-4.60464999e-14 4.19288962e-04 7.11211403e-05] [-6.80497325e-14 -7.14308639e-05 5.14167705e-05] [-2.39530618e-14 7.14308640e-05 -5.14167711e-05] [ 5.08394721e-05 -7.12130008e-14 -8.61357216e-14] [-5.08394724e-05 1.05094752e-13 -2.17267456e-13] [ 5.21076238e-14 -4.19288962e-04 -7.11211403e-05] [-8.93989743e-14 4.19288962e-04 7.11211401e-05] [ 1.98231188e-14 -7.14308641e-05 5.14167702e-05] [ 3.91175807e-14 7.14308642e-05 -5.14167710e-05] [ 7.68700750e-05 2.38586610e-05 -1.80173269e-04] [ 3.83160814e-04 -7.88123174e-05 -1.25593965e-04] [ 3.83160814e-04 7.88123175e-05 1.25593964e-04] [ 7.68700753e-05 -2.38586611e-05 1.80173269e-04] [-3.83160814e-04 7.88123175e-05 1.25593965e-04] [-7.68700753e-05 -2.38586611e-05 1.80173269e-04] [-3.83160815e-04 -7.88123176e-05 -1.25593964e-04] [-7.68700750e-05 2.38586609e-05 -1.80173269e-04] [ 7.68700750e-05 2.38586610e-05 -1.80173269e-04] [ 3.83160815e-04 -7.88123175e-05 -1.25593964e-04] [ 3.83160815e-04 7.88123172e-05 1.25593964e-04] [ 7.68700751e-05 -2.38586611e-05 1.80173269e-04] [-3.83160815e-04 7.88123175e-05 1.25593964e-04] [-7.68700752e-05 -2.38586611e-05 1.80173269e-04] [-3.83160815e-04 -7.88123175e-05 -1.25593964e-04] [-7.68700751e-05 2.38586609e-05 -1.80173269e-04] [ 3.08808534e-13 3.74728026e-13 2.55656607e-13] [ 1.73358723e-13 2.16205984e-13 5.67514806e-13] [ 4.66959804e-13 2.88225750e-04 1.90540501e-04] [ 2.91395380e-13 3.18273345e-04 -4.15611275e-04] [ 7.94687233e-13 -3.18273345e-04 4.15611275e-04] [-1.45508605e-14 -2.88225750e-04 -1.90540501e-04] [-2.48964300e-04 3.48826172e-04 -2.48883023e-04] [-2.48964301e-04 -3.48826172e-04 2.48883022e-04] [ 2.48964302e-04 3.48826173e-04 -2.48883022e-04] [ 2.48964302e-04 -3.48826172e-04 2.48883022e-04] [-1.12637671e-04 -1.50451128e-05 3.49058853e-04] [ 1.12637670e-04 -1.50451136e-05 3.49058853e-04] [-1.12637670e-04 1.50451138e-05 -3.49058852e-04] [ 1.12637668e-04 1.50451151e-05 -3.49058852e-04] [ 5.40361592e-13 2.88225751e-04 1.90540499e-04] [ 4.99046551e-13 3.18273342e-04 -4.15611277e-04] [-5.90768753e-14 -3.18273344e-04 4.15611276e-04] [-1.20009037e-13 -2.88225752e-04 -1.90540498e-04] [-2.48964303e-04 3.48826172e-04 -2.48883021e-04] [-2.48964303e-04 -3.48826173e-04 2.48883020e-04] [ 2.48964303e-04 3.48826172e-04 -2.48883020e-04] [ 2.48964304e-04 -3.48826173e-04 2.48883020e-04] [-1.12637668e-04 -1.50451156e-05 3.49058853e-04] [ 1.12637668e-04 -1.50451164e-05 3.49058853e-04] [-1.12637669e-04 1.50451150e-05 -3.49058853e-04] [ 1.12637667e-04 1.50451169e-05 -3.49058852e-04]] Final stress: [-1.09828152e-05 1.39917464e-05 -1.09785460e-05 1.04430382e-05 -1.23030266e-16 -1.66257117e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.62029444e-04 -1.93193985e-13 -5.76123350e-14] [-1.62029445e-04 -1.21569421e-14 5.59552404e-14] [-1.41206491e-14 -3.87557295e-04 -2.24390460e-05] [ 1.24761312e-13 3.87557295e-04 2.24390462e-05] [-2.05538277e-13 -2.22739655e-05 1.62692868e-04] [ 2.05668815e-14 2.22739653e-05 -1.62692869e-04] [ 1.62029444e-04 1.25235759e-13 5.29238425e-14] [-1.62029444e-04 -1.49349283e-13 6.41009483e-14] [-2.56747748e-14 -3.87557295e-04 -2.24390463e-05] [ 8.11113329e-14 3.87557295e-04 2.24390462e-05] [ 6.94882520e-14 -2.22739653e-05 1.62692869e-04] [-2.89009268e-14 2.22739653e-05 -1.62692869e-04] [-4.10556321e-04 1.24823408e-04 -6.87619583e-05] [-9.05659542e-05 5.72203286e-05 -2.50567977e-04] [-9.05659541e-05 -5.72203284e-05 2.50567977e-04] [-4.10556321e-04 -1.24823408e-04 6.87619585e-05] [ 9.05659542e-05 -5.72203285e-05 2.50567977e-04] [ 4.10556321e-04 -1.24823407e-04 6.87619584e-05] [ 9.05659543e-05 5.72203285e-05 -2.50567977e-04] [ 4.10556320e-04 1.24823408e-04 -6.87619585e-05] [-4.10556321e-04 1.24823408e-04 -6.87619587e-05] [-9.05659544e-05 5.72203284e-05 -2.50567977e-04] [-9.05659542e-05 -5.72203283e-05 2.50567977e-04] [-4.10556321e-04 -1.24823408e-04 6.87619582e-05] [ 9.05659543e-05 -5.72203283e-05 2.50567977e-04] [ 4.10556320e-04 -1.24823408e-04 6.87619582e-05] [ 9.05659539e-05 5.72203284e-05 -2.50567977e-04] [ 4.10556321e-04 1.24823408e-04 -6.87619586e-05] [ 2.52214916e-13 3.79557497e-13 5.33600941e-13] [-1.86582954e-13 -7.09962423e-13 -5.80060819e-13] [-1.92512672e-13 -2.53848420e-04 -3.87398833e-04] [ 8.55548271e-14 -2.35284721e-04 1.01067421e-04] [-9.56484891e-13 2.35284721e-04 -1.01067421e-04] [ 5.47695569e-13 2.53848419e-04 3.87398834e-04] [-2.49223044e-04 -4.72776213e-04 -2.49164285e-04] [-2.49223044e-04 4.72776215e-04 2.49164285e-04] [ 2.49223042e-04 -4.72776215e-04 -2.49164287e-04] [ 2.49223042e-04 4.72776214e-04 2.49164287e-04] [-1.43250884e-04 -9.30861638e-06 -4.72921666e-04] [ 1.43250884e-04 -9.30861618e-06 -4.72921667e-04] [-1.43250882e-04 9.30861729e-06 4.72921667e-04] [ 1.43250883e-04 9.30861669e-06 4.72921667e-04] [ 7.73963359e-13 -2.53848419e-04 -3.87398834e-04] [ 5.61251566e-13 -2.35284721e-04 1.01067421e-04] [ 6.96140628e-13 2.35284720e-04 -1.01067423e-04] [ 3.62145210e-13 2.53848419e-04 3.87398834e-04] [-2.49223043e-04 -4.72776215e-04 -2.49164286e-04] [-2.49223044e-04 4.72776215e-04 2.49164285e-04] [ 2.49223043e-04 -4.72776215e-04 -2.49164286e-04] [ 2.49223043e-04 4.72776214e-04 2.49164286e-04] [-1.43250883e-04 -9.30861670e-06 -4.72921666e-04] [ 1.43250883e-04 -9.30861625e-06 -4.72921666e-04] [-1.43250882e-04 9.30861801e-06 4.72921667e-04] [ 1.43250884e-04 9.30861528e-06 4.72921666e-04]] Final stress: [-1.08636937e-05 1.42398627e-05 -1.08595434e-05 -1.14943382e-05 -1.34668264e-16 -1.49631405e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.28687245e-05 -1.41657085e-13 -4.42471452e-05] [ 5.28687240e-05 3.08919557e-14 4.42471451e-05] [ 1.20903721e-13 4.25397774e-04 -2.49565993e-14] [ 7.69939668e-14 -4.25397773e-04 8.71525074e-14] [-4.42471451e-05 -5.13799073e-14 -5.28687251e-05] [ 4.42471452e-05 -8.35720382e-14 5.28687240e-05] [-5.28687245e-05 1.77702471e-13 -4.42471450e-05] [ 5.28687244e-05 -1.20255368e-13 4.42471450e-05] [-3.55186366e-13 4.25397774e-04 1.42727157e-13] [-5.12862322e-14 -4.25397774e-04 -1.47297418e-13] [-4.42471452e-05 1.48361365e-13 -5.28687242e-05] [ 4.42471450e-05 1.83779455e-13 5.28687242e-05] [ 1.14665646e-04 1.91972788e-04 1.14665645e-04] [-1.84651962e-04 3.04825779e-04 1.84651962e-04] [-1.14665645e-04 1.91972787e-04 -1.14665646e-04] [ 1.84651962e-04 3.04825780e-04 -1.84651962e-04] [ 1.84651962e-04 -3.04825780e-04 -1.84651962e-04] [-1.14665645e-04 -1.91972788e-04 -1.14665646e-04] [ 1.14665646e-04 -1.91972788e-04 1.14665645e-04] [-1.84651962e-04 -3.04825780e-04 1.84651962e-04] [ 1.14665645e-04 1.91972788e-04 1.14665645e-04] [-1.84651962e-04 3.04825780e-04 1.84651962e-04] [-1.14665646e-04 1.91972788e-04 -1.14665646e-04] [ 1.84651962e-04 3.04825780e-04 -1.84651962e-04] [ 1.84651962e-04 -3.04825780e-04 -1.84651962e-04] [-1.14665646e-04 -1.91972788e-04 -1.14665645e-04] [ 1.14665645e-04 -1.91972788e-04 1.14665645e-04] [-1.84651962e-04 -3.04825779e-04 1.84651962e-04] [ 4.21968016e-13 -8.90260088e-13 7.71438469e-13] [-2.48637048e-13 2.26238622e-13 -7.30839980e-14] [ 3.56870003e-04 4.06172944e-05 7.65283048e-05] [ 3.56870004e-04 -4.06172929e-05 7.65283067e-05] [-3.56870004e-04 4.06172949e-05 -7.65283045e-05] [-3.56870003e-04 -4.06172936e-05 -7.65283060e-05] [ 5.43447328e-04 2.25375274e-14 5.43447331e-04] [-6.12505297e-05 1.12383193e-12 6.12505267e-05] [ 6.12505286e-05 -8.38482062e-13 -6.12505279e-05] [-5.43447328e-04 -3.42554110e-13 -5.43447330e-04] [ 7.65283065e-05 4.06172929e-05 3.56870005e-04] [-7.65283075e-05 4.06172915e-05 -3.56870004e-04] [ 7.65283052e-05 -4.06172943e-05 3.56870005e-04] [-7.65283063e-05 -4.06172929e-05 -3.56870005e-04] [ 3.56870005e-04 4.06172928e-05 7.65283065e-05] [ 3.56870004e-04 -4.06172923e-05 7.65283072e-05] [-3.56870003e-04 4.06172934e-05 -7.65283057e-05] [-3.56870003e-04 -4.06172914e-05 -7.65283079e-05] [ 5.43447330e-04 -9.57445111e-14 5.43447328e-04] [-6.12505273e-05 -5.30851405e-13 6.12505292e-05] [ 6.12505272e-05 1.29129346e-13 -6.12505286e-05] [-5.43447327e-04 -2.06474161e-13 -5.43447331e-04] [ 7.65283056e-05 4.06172941e-05 3.56870004e-04] [-7.65283062e-05 4.06172937e-05 -3.56870004e-04] [ 7.65283051e-05 -4.06172942e-05 3.56870005e-04] [-7.65283035e-05 -4.06172960e-05 -3.56870004e-04]] Final stress: [ 1.09527103e-05 -1.43292260e-05 1.09527103e-05 1.08061849e-16 1.07285026e-05 -3.52447877e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.28839259e-04 1.17178836e-13 -1.39739597e-07] [ 1.28839259e-04 1.22984956e-13 1.39739579e-07] [-2.18319286e-14 4.02952859e-04 -1.20797469e-14] [-2.12885265e-14 -4.02952858e-04 5.32351940e-14] [-1.39739527e-07 -3.37585862e-14 -1.28839259e-04] [ 1.39739285e-07 -3.60267371e-14 1.28839259e-04] [-1.28839258e-04 -9.51378733e-14 -1.39739454e-07] [ 1.28839259e-04 5.75845795e-14 1.39739635e-07] [ 1.73810619e-14 4.02952858e-04 2.22754287e-14] [ 8.99245955e-14 -4.02952858e-04 -1.14573071e-13] [-1.39739898e-07 1.06808699e-13 -1.28839259e-04] [ 1.39739692e-07 3.05664969e-13 1.28839259e-04] [ 2.27956794e-04 -2.93438563e-04 2.27956794e-04] [-8.08944092e-05 -2.06848437e-04 8.08944086e-05] [-2.27956794e-04 -2.93438563e-04 -2.27956794e-04] [ 8.08944091e-05 -2.06848437e-04 -8.08944088e-05] [ 8.08944089e-05 2.06848436e-04 -8.08944090e-05] [-2.27956794e-04 2.93438562e-04 -2.27956794e-04] [ 2.27956794e-04 2.93438562e-04 2.27956794e-04] [-8.08944090e-05 2.06848436e-04 8.08944089e-05] [ 2.27956794e-04 -2.93438562e-04 2.27956794e-04] [-8.08944087e-05 -2.06848436e-04 8.08944091e-05] [-2.27956794e-04 -2.93438562e-04 -2.27956794e-04] [ 8.08944088e-05 -2.06848437e-04 -8.08944088e-05] [ 8.08944091e-05 2.06848436e-04 -8.08944090e-05] [-2.27956794e-04 2.93438562e-04 -2.27956794e-04] [ 2.27956794e-04 2.93438562e-04 2.27956794e-04] [-8.08944088e-05 2.06848437e-04 8.08944091e-05] [ 2.28095320e-13 -3.03312930e-13 -1.41414658e-13] [-5.25659377e-13 2.50154799e-15 -2.98209404e-13] [-4.38771004e-04 2.65073891e-05 1.10545592e-04] [-4.38771004e-04 -2.65073883e-05 1.10545593e-04] [ 4.38771004e-04 2.65073889e-05 -1.10545592e-04] [ 4.38771005e-04 -2.65073870e-05 -1.10545594e-04] [-1.96370241e-05 6.32605079e-13 -1.96370262e-05] [ 5.07579224e-04 1.27978357e-12 -5.07579221e-04] [-5.07579223e-04 -2.01715381e-13 5.07579222e-04] [ 1.96370238e-05 6.36990460e-13 1.96370264e-05] [ 1.10545594e-04 2.65073874e-05 -4.38771004e-04] [-1.10545592e-04 2.65073898e-05 4.38771005e-04] [ 1.10545593e-04 -2.65073877e-05 -4.38771005e-04] [-1.10545592e-04 -2.65073891e-05 4.38771004e-04] [-4.38771005e-04 2.65073892e-05 1.10545592e-04] [-4.38771005e-04 -2.65073905e-05 1.10545591e-04] [ 4.38771004e-04 2.65073890e-05 -1.10545592e-04] [ 4.38771004e-04 -2.65073885e-05 -1.10545593e-04] [-1.96370257e-05 -4.12581219e-13 -1.96370242e-05] [ 5.07579223e-04 -6.76811471e-13 -5.07579223e-04] [-5.07579223e-04 -3.38896446e-13 5.07579222e-04] [ 1.96370233e-05 -8.31279490e-15 1.96370269e-05] [ 1.10545594e-04 2.65073877e-05 -4.38771004e-04] [-1.10545595e-04 2.65073865e-05 4.38771005e-04] [ 1.10545593e-04 -2.65073884e-05 -4.38771005e-04] [-1.10545593e-04 -2.65073884e-05 4.38771004e-04]] Final stress: [ 1.07966206e-05 -1.44932613e-05 1.07966206e-05 -1.71236469e-16 -1.12430496e-05 -4.02322577e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.33556529e-05 4.89161663e-14 -8.21605345e-05] [ 1.33556528e-05 1.44884105e-14 8.21605346e-05] [ 6.66086110e-14 -4.45026517e-04 -7.49912285e-14] [ 1.99007477e-14 4.45026516e-04 3.25295346e-14] [-8.21605344e-05 5.29285817e-14 -1.33556529e-05] [ 8.21605346e-05 -2.49800181e-14 1.33556523e-05] [-1.33556530e-05 -1.41847471e-13 -8.21605346e-05] [ 1.33556529e-05 4.05925293e-16 8.21605346e-05] [-5.82871425e-14 -4.45026517e-04 8.10970100e-14] [-4.69711076e-14 4.45026517e-04 -4.86583369e-14] [-8.21605347e-05 -3.67127535e-14 -1.33556524e-05] [ 8.21605346e-05 -1.21830153e-14 1.33556529e-05] [-1.51997176e-04 3.06197073e-04 -1.51997176e-04] [ 1.45162636e-04 1.79314204e-04 -1.45162637e-04] [ 1.51997176e-04 3.06197073e-04 1.51997176e-04] [-1.45162636e-04 1.79314204e-04 1.45162636e-04] [-1.45162637e-04 -1.79314204e-04 1.45162636e-04] [ 1.51997176e-04 -3.06197072e-04 1.51997176e-04] [-1.51997176e-04 -3.06197073e-04 -1.51997176e-04] [ 1.45162636e-04 -1.79314204e-04 -1.45162636e-04] [-1.51997176e-04 3.06197073e-04 -1.51997176e-04] [ 1.45162636e-04 1.79314204e-04 -1.45162636e-04] [ 1.51997176e-04 3.06197073e-04 1.51997176e-04] [-1.45162636e-04 1.79314204e-04 1.45162636e-04] [-1.45162637e-04 -1.79314204e-04 1.45162636e-04] [ 1.51997176e-04 -3.06197073e-04 1.51997176e-04] [-1.51997176e-04 -3.06197072e-04 -1.51997176e-04] [ 1.45162637e-04 -1.79314204e-04 -1.45162637e-04] [ 4.57966998e-13 2.50882648e-13 9.41885459e-13] [-2.00044842e-13 6.06740172e-14 -5.80787787e-13] [ 2.88806167e-04 -4.69241038e-05 -6.01490393e-05] [ 2.88806166e-04 4.69241028e-05 -6.01490405e-05] [-2.88806166e-04 -4.69241041e-05 6.01490391e-05] [-2.88806166e-04 4.69241023e-05 6.01490411e-05] [ 9.00125005e-05 -1.55908619e-12 9.00125001e-05] [-5.73338930e-04 -5.71523731e-13 5.73338930e-04] [ 5.73338930e-04 -6.90008814e-13 -5.73338929e-04] [-9.00124996e-05 -6.67250977e-13 -9.00125003e-05] [-6.01490392e-05 -4.69241042e-05 2.88806167e-04] [ 6.01490393e-05 -4.69241039e-05 -2.88806167e-04] [-6.01490415e-05 4.69241020e-05 2.88806166e-04] [ 6.01490415e-05 4.69241021e-05 -2.88806167e-04] [ 2.88806167e-04 -4.69241025e-05 -6.01490410e-05] [ 2.88806166e-04 4.69241038e-05 -6.01490392e-05] [-2.88806167e-04 -4.69241020e-05 6.01490416e-05] [-2.88806167e-04 4.69241043e-05 6.01490386e-05] [ 9.00124998e-05 1.06911235e-12 9.00125004e-05] [-5.73338930e-04 5.29037101e-13 5.73338930e-04] [ 5.73338930e-04 1.19245759e-12 -5.73338930e-04] [-9.00124994e-05 5.68945932e-13 -9.00125003e-05] [-6.01490411e-05 -4.69241024e-05 2.88806166e-04] [ 6.01490411e-05 -4.69241024e-05 -2.88806166e-04] [-6.01490400e-05 4.69241033e-05 2.88806167e-04] [ 6.01490389e-05 4.69241042e-05 -2.88806166e-04]] Final stress: [-1.12184958e-05 1.38625321e-05 -1.12184958e-05 1.39655978e-16 1.02788788e-05 4.48894215e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.89375535e-06 -3.37702956e-14 8.86797523e-05] [ 9.89375588e-06 1.74055215e-13 -8.86797521e-05] [-3.09574415e-14 -4.42372545e-04 4.53890397e-14] [-5.67601521e-14 4.42372545e-04 1.37945211e-14] [ 8.86797521e-05 -1.90413657e-13 -9.89375643e-06] [-8.86797519e-05 1.45605750e-13 9.89375547e-06] [-9.89375608e-06 1.24947795e-14 8.86797521e-05] [ 9.89375552e-06 -2.33392732e-13 -8.86797520e-05] [-7.91727794e-15 -4.42372545e-04 -1.32610887e-13] [ 1.81729631e-13 4.42372545e-04 -3.51116569e-14] [ 8.86797519e-05 1.24067123e-13 -9.89375602e-06] [-8.86797524e-05 -6.07900398e-14 9.89375574e-06] [-1.46273673e-04 -1.75430370e-04 -1.46273673e-04] [ 1.51355786e-04 -3.00234605e-04 -1.51355785e-04] [ 1.46273673e-04 -1.75430370e-04 1.46273673e-04] [-1.51355786e-04 -3.00234606e-04 1.51355786e-04] [-1.51355786e-04 3.00234606e-04 1.51355786e-04] [ 1.46273673e-04 1.75430370e-04 1.46273673e-04] [-1.46273673e-04 1.75430370e-04 -1.46273673e-04] [ 1.51355786e-04 3.00234605e-04 -1.51355786e-04] [-1.46273673e-04 -1.75430370e-04 -1.46273673e-04] [ 1.51355786e-04 -3.00234605e-04 -1.51355786e-04] [ 1.46273673e-04 -1.75430370e-04 1.46273673e-04] [-1.51355786e-04 -3.00234606e-04 1.51355785e-04] [-1.51355785e-04 3.00234606e-04 1.51355786e-04] [ 1.46273673e-04 1.75430370e-04 1.46273673e-04] [-1.46273673e-04 1.75430370e-04 -1.46273673e-04] [ 1.51355786e-04 3.00234606e-04 -1.51355786e-04] [-2.02698969e-13 7.28583860e-14 1.45225498e-12] [ 2.54301788e-13 1.34048868e-13 3.64871821e-15] [-2.89978915e-04 -4.02031036e-05 -6.89433617e-05] [-2.89978914e-04 4.02031037e-05 -6.89433617e-05] [ 2.89978915e-04 -4.02031024e-05 6.89433630e-05] [ 2.89978916e-04 4.02031028e-05 6.89433624e-05] [-5.74218871e-04 -4.28657110e-13 -5.74218870e-04] [ 8.78987634e-05 3.21289870e-13 -8.78987637e-05] [-8.78987628e-05 -4.96354693e-13 8.78987643e-05] [ 5.74218872e-04 -7.96635327e-13 5.74218870e-04] [-6.89433607e-05 -4.02031046e-05 -2.89978916e-04] [ 6.89433619e-05 -4.02031035e-05 2.89978916e-04] [-6.89433620e-05 4.02031030e-05 -2.89978915e-04] [ 6.89433626e-05 4.02031031e-05 2.89978916e-04] [-2.89978915e-04 -4.02031036e-05 -6.89433621e-05] [-2.89978916e-04 4.02031041e-05 -6.89433610e-05] [ 2.89978915e-04 -4.02031033e-05 6.89433625e-05] [ 2.89978915e-04 4.02031045e-05 6.89433608e-05] [-5.74218870e-04 -2.59769447e-13 -5.74218871e-04] [ 8.78987625e-05 -2.05102862e-14 -8.78987649e-05] [-8.78987637e-05 1.31852862e-13 8.78987628e-05] [ 5.74218870e-04 5.59745392e-13 5.74218871e-04] [-6.89433631e-05 -4.02031022e-05 -2.89978915e-04] [ 6.89433618e-05 -4.02031033e-05 2.89978915e-04] [-6.89433626e-05 4.02031030e-05 -2.89978916e-04] [ 6.89433624e-05 4.02031027e-05 2.89978915e-04]] Final stress: [-1.11756669e-05 1.38591162e-05 -1.11756669e-05 -2.17796823e-16 -1.02119128e-05 -2.32759963e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.84007997e-06 -1.44207039e-04 -2.23722950e-14] [ 8.84007921e-06 1.44207039e-04 1.41275880e-14] [-1.44617066e-04 4.23932082e-04 -1.04536171e-13] [ 1.44617066e-04 -4.23932082e-04 -4.16611190e-14] [ 1.25507243e-14 -1.48582535e-13 -9.37677170e-06] [-1.94011474e-14 -1.37778677e-13 9.37677137e-06] [-8.84007997e-06 -1.44207039e-04 1.68071489e-14] [ 8.84008031e-06 1.44207039e-04 -1.79431459e-13] [-1.44617066e-04 4.23932082e-04 2.36074798e-14] [ 1.44617066e-04 -4.23932082e-04 1.08589922e-13] [-1.25964343e-13 1.28496117e-13 -9.37677173e-06] [ 1.41392974e-14 3.62089680e-14 9.37677142e-06] [ 1.56486656e-04 -4.94019367e-05 3.48373261e-04] [-1.56486657e-04 4.94019369e-05 3.48373261e-04] [-1.36887095e-04 -6.94955641e-05 5.54419039e-05] [ 1.36887095e-04 6.94955637e-05 5.54419039e-05] [ 1.56486657e-04 -4.94019370e-05 -3.48373261e-04] [-1.56486657e-04 4.94019370e-05 -3.48373261e-04] [ 1.36887095e-04 6.94955637e-05 -5.54419039e-05] [-1.36887094e-04 -6.94955641e-05 -5.54419041e-05] [ 1.56486657e-04 -4.94019373e-05 3.48373261e-04] [-1.56486657e-04 4.94019370e-05 3.48373261e-04] [-1.36887095e-04 -6.94955638e-05 5.54419040e-05] [ 1.36887094e-04 6.94955641e-05 5.54419042e-05] [ 1.56486657e-04 -4.94019372e-05 -3.48373261e-04] [-1.56486657e-04 4.94019370e-05 -3.48373261e-04] [ 1.36887095e-04 6.94955640e-05 -5.54419042e-05] [-1.36887095e-04 -6.94955638e-05 -5.54419040e-05] [ 5.67879077e-13 -2.87575519e-13 6.15618667e-14] [-3.78911312e-13 5.53776084e-13 1.99606267e-13] [ 2.87710749e-04 -1.25626412e-05 1.27298859e-04] [-2.87710750e-04 1.25626405e-05 1.27298858e-04] [ 2.87710750e-04 -1.25626412e-05 -1.27298859e-04] [-2.87710750e-04 1.25626403e-05 -1.27298858e-04] [ 2.50896929e-04 2.87998941e-04 2.50794283e-04] [ 2.50896928e-04 2.87998941e-04 -2.50794283e-04] [-2.50896930e-04 -2.87998941e-04 2.50794282e-04] [-2.50896928e-04 -2.87998942e-04 -2.50794283e-04] [ 4.61337307e-04 3.21263016e-04 2.31037411e-13] [ 2.06499943e-04 -3.46352965e-04 -6.07642409e-13] [-2.06499943e-04 3.46352965e-04 3.52070803e-13] [-4.61337307e-04 -3.21263016e-04 -2.07524969e-14] [ 2.87710750e-04 -1.25626427e-05 1.27298860e-04] [-2.87710750e-04 1.25626430e-05 1.27298860e-04] [ 2.87710750e-04 -1.25626420e-05 -1.27298859e-04] [-2.87710750e-04 1.25626416e-05 -1.27298859e-04] [ 2.50896930e-04 2.87998941e-04 2.50794282e-04] [ 2.50896930e-04 2.87998941e-04 -2.50794282e-04] [-2.50896931e-04 -2.87998941e-04 2.50794281e-04] [-2.50896929e-04 -2.87998941e-04 -2.50794282e-04] [ 4.61337305e-04 3.21263017e-04 4.73300001e-13] [ 2.06499945e-04 -3.46352963e-04 2.12476771e-13] [-2.06499943e-04 3.46352965e-04 2.44926621e-13] [-4.61337305e-04 -3.21263017e-04 3.75706844e-13]] Final stress: [ 1.07161694e-05 -1.40674018e-05 1.07115287e-05 -1.71236469e-16 6.64995995e-18 9.62944452e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.81262343e-05 7.54321745e-05 -9.75647514e-14] [ 5.81262338e-05 -7.54321744e-05 -2.01089145e-13] [ 7.57577998e-05 4.17670738e-04 -1.16239483e-13] [-7.57577995e-05 -4.17670738e-04 5.88418203e-14] [ 7.63113531e-14 1.72930247e-13 -5.87099532e-05] [ 7.02493619e-14 6.36712905e-14 5.87099526e-05] [-5.81262342e-05 7.54321741e-05 1.04487874e-13] [ 5.81262340e-05 -7.54321742e-05 8.48587850e-14] [ 7.57577997e-05 4.17670739e-04 -3.93724017e-14] [-7.57578001e-05 -4.17670738e-04 -2.71957624e-13] [-1.37822045e-13 -1.60091066e-13 -5.87099535e-05] [-5.88591675e-15 3.34064051e-14 5.87099529e-05] [ 1.77291022e-04 -2.61356248e-05 -7.76018903e-05] [-1.77291021e-04 2.61356248e-05 -7.76018906e-05] [-1.22751167e-04 -8.02855939e-05 -3.77118360e-04] [ 1.22751167e-04 8.02855943e-05 -3.77118360e-04] [ 1.77291022e-04 -2.61356241e-05 7.76018904e-05] [-1.77291021e-04 2.61356245e-05 7.76018906e-05] [ 1.22751167e-04 8.02855944e-05 3.77118360e-04] [-1.22751167e-04 -8.02855944e-05 3.77118360e-04] [ 1.77291021e-04 -2.61356248e-05 -7.76018905e-05] [-1.77291022e-04 2.61356245e-05 -7.76018899e-05] [-1.22751167e-04 -8.02855945e-05 -3.77118360e-04] [ 1.22751167e-04 8.02855944e-05 -3.77118360e-04] [ 1.77291021e-04 -2.61356249e-05 7.76018907e-05] [-1.77291022e-04 2.61356242e-05 7.76018902e-05] [ 1.22751167e-04 8.02855945e-05 3.77118360e-04] [-1.22751167e-04 -8.02855945e-05 3.77118360e-04] [ 6.21447338e-13 1.01266218e-12 2.15300000e-13] [-2.31299355e-13 -4.11456287e-13 7.07296865e-13] [-3.52878840e-04 9.61810001e-06 1.13269498e-04] [ 3.52878839e-04 -9.61810006e-06 1.13269498e-04] [-3.52878839e-04 9.61809768e-06 -1.13269500e-04] [ 3.52878839e-04 -9.61809846e-06 -1.13269500e-04] [ 2.46976631e-04 -3.53119314e-04 2.46894302e-04] [ 2.46976630e-04 -3.53119313e-04 -2.46894303e-04] [-2.46976631e-04 3.53119312e-04 2.46894302e-04] [-2.46976630e-04 3.53119313e-04 -2.46894303e-04] [-1.91135288e-04 -2.94694749e-04 -1.12909682e-13] [-4.17888446e-04 3.13981444e-04 -2.60654345e-13] [ 4.17888443e-04 -3.13981446e-04 -1.20986728e-12] [ 1.91135289e-04 2.94694750e-04 -1.06289283e-12] [-3.52878840e-04 9.61809864e-06 1.13269499e-04] [ 3.52878840e-04 -9.61809859e-06 1.13269500e-04] [-3.52878839e-04 9.61809997e-06 -1.13269498e-04] [ 3.52878840e-04 -9.61809827e-06 -1.13269500e-04] [ 2.46976630e-04 -3.53119312e-04 2.46894303e-04] [ 2.46976632e-04 -3.53119313e-04 -2.46894301e-04] [-2.46976629e-04 3.53119313e-04 2.46894304e-04] [-2.46976632e-04 3.53119313e-04 -2.46894302e-04] [-1.91135289e-04 -2.94694749e-04 5.87916238e-13] [-4.17888444e-04 3.13981445e-04 1.89349069e-13] [ 4.17888444e-04 -3.13981445e-04 7.84802521e-13] [ 1.91135288e-04 2.94694750e-04 7.23966026e-13]] Final stress: [ 1.07885061e-05 -1.42720718e-05 1.07840217e-05 1.69573979e-16 2.72648358e-16 -1.03847871e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.74411751e-06 -1.02755561e-04 3.62878130e-14] [ 2.74411695e-06 1.02755561e-04 6.17284002e-14] [-1.02390967e-04 -4.36511400e-04 -1.49533164e-13] [ 1.02390967e-04 4.36511399e-04 -6.43929354e-15] [ 1.24856722e-15 5.73490908e-14 -3.28505925e-06] [-2.23432384e-14 -5.05429032e-14 3.28505924e-06] [-2.74411720e-06 -1.02755561e-04 -6.50801174e-14] [ 2.74411741e-06 1.02755561e-04 -3.76144322e-14] [-1.02390967e-04 -4.36511399e-04 1.01479110e-13] [ 1.02390967e-04 4.36511400e-04 1.71495107e-14] [ 7.18002047e-15 -3.12287336e-14 -3.28505863e-06] [ 1.46102748e-14 3.38369141e-14 3.28505889e-06] [-1.49894786e-04 5.97367838e-05 7.84371821e-05] [ 1.49894786e-04 -5.97367837e-05 7.84371822e-05] [ 1.48694764e-04 6.13475463e-05 3.77492442e-04] [-1.48694764e-04 -6.13475464e-05 3.77492442e-04] [-1.49894786e-04 5.97367836e-05 -7.84371821e-05] [ 1.49894786e-04 -5.97367833e-05 -7.84371820e-05] [-1.48694764e-04 -6.13475464e-05 -3.77492442e-04] [ 1.48694764e-04 6.13475463e-05 -3.77492442e-04] [-1.49894786e-04 5.97367839e-05 7.84371816e-05] [ 1.49894786e-04 -5.97367840e-05 7.84371820e-05] [ 1.48694764e-04 6.13475463e-05 3.77492442e-04] [-1.48694764e-04 -6.13475462e-05 3.77492442e-04] [-1.49894786e-04 5.97367839e-05 -7.84371819e-05] [ 1.49894786e-04 -5.97367841e-05 -7.84371819e-05] [-1.48694764e-04 -6.13475462e-05 -3.77492442e-04] [ 1.48694764e-04 6.13475464e-05 -3.77492442e-04] [ 2.38864484e-13 5.59607916e-13 -1.86101135e-13] [-2.44376568e-13 3.30521930e-14 -2.40886232e-13] [ 2.92246216e-04 -2.76142333e-05 -8.57733758e-05] [-2.92246215e-04 2.76142338e-05 -8.57733749e-05] [ 2.92246216e-04 -2.76142335e-05 8.57733758e-05] [-2.92246216e-04 2.76142339e-05 8.57733749e-05] [-2.46108532e-04 2.91978799e-04 -2.46198983e-04] [-2.46108532e-04 2.91978800e-04 2.46198983e-04] [ 2.46108532e-04 -2.91978799e-04 -2.46198982e-04] [ 2.46108533e-04 -2.91978800e-04 2.46198982e-04] [ 2.43667436e-04 3.01831849e-04 1.64313008e-14] [ 4.14992334e-04 -3.57018799e-04 6.08887940e-15] [-4.14992335e-04 3.57018797e-04 -1.69506770e-13] [-2.43667437e-04 -3.01831848e-04 -3.47343682e-14] [ 2.92246215e-04 -2.76142362e-05 -8.57733730e-05] [-2.92246215e-04 2.76142363e-05 -8.57733728e-05] [ 2.92246215e-04 -2.76142360e-05 8.57733730e-05] [-2.92246214e-04 2.76142361e-05 8.57733728e-05] [-2.46108529e-04 2.91978800e-04 -2.46198986e-04] [-2.46108529e-04 2.91978800e-04 2.46198986e-04] [ 2.46108530e-04 -2.91978800e-04 -2.46198985e-04] [ 2.46108530e-04 -2.91978800e-04 2.46198985e-04] [ 2.43667435e-04 3.01831851e-04 2.72666144e-13] [ 4.14992336e-04 -3.57018795e-04 -1.69308628e-13] [-4.14992338e-04 3.57018794e-04 4.25421281e-15] [-2.43667435e-04 -3.01831851e-04 1.95685915e-13]] Final stress: [-1.10913356e-05 1.38592275e-05 -1.10958338e-05 1.11392268e-16 -8.14659872e-17 1.00826996e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.40900936e-05 4.41432347e-05 -1.26276593e-13] [ 3.40900938e-05 -4.41432346e-05 4.42146320e-14] [ 4.38123310e-05 -4.60374919e-04 5.24701810e-14] [-4.38123307e-05 4.60374919e-04 8.25450819e-14] [-1.83750584e-14 2.10408947e-14 -3.46358022e-05] [-1.18932642e-13 -1.24816824e-13 3.46358021e-05] [-3.40900935e-05 4.41432347e-05 4.12853489e-14] [ 3.40900938e-05 -4.41432348e-05 8.08410644e-14] [ 4.38123306e-05 -4.60374919e-04 -1.42238372e-14] [-4.38123308e-05 4.60374919e-04 -1.00589373e-13] [ 1.26497337e-13 -5.11095516e-14 -3.46358018e-05] [ 8.47963193e-14 5.14799497e-14 3.46358016e-05] [-1.38672506e-04 7.85495340e-05 -4.19708388e-04] [ 1.38672506e-04 -7.85495337e-05 -4.19708388e-04] [ 1.55615819e-04 6.13099571e-05 -1.24929193e-04] [-1.55615819e-04 -6.13099572e-05 -1.24929193e-04] [-1.38672507e-04 7.85495341e-05 4.19708388e-04] [ 1.38672506e-04 -7.85495341e-05 4.19708388e-04] [-1.55615819e-04 -6.13099569e-05 1.24929193e-04] [ 1.55615819e-04 6.13099570e-05 1.24929193e-04] [-1.38672506e-04 7.85495344e-05 -4.19708389e-04] [ 1.38672506e-04 -7.85495339e-05 -4.19708388e-04] [ 1.55615819e-04 6.13099570e-05 -1.24929193e-04] [-1.55615819e-04 -6.13099574e-05 -1.24929193e-04] [-1.38672507e-04 7.85495341e-05 4.19708388e-04] [ 1.38672506e-04 -7.85495340e-05 4.19708388e-04] [-1.55615819e-04 -6.13099574e-05 1.24929193e-04] [ 1.55615819e-04 6.13099572e-05 1.24929193e-04] [-7.07489622e-14 -2.04447570e-13 9.19542220e-14] [-2.69855752e-13 3.06134045e-14 3.75432478e-13] [-2.81503389e-04 -8.78733384e-05 -6.75071870e-06] [ 2.81503390e-04 8.78733384e-05 -6.75071905e-06] [-2.81503389e-04 -8.78733386e-05 6.75071868e-06] [ 2.81503389e-04 8.78733389e-05 6.75071825e-06] [-2.32609148e-04 -2.81247840e-04 -2.32683819e-04] [-2.32609148e-04 -2.81247840e-04 2.32683819e-04] [ 2.32609148e-04 2.81247840e-04 -2.32683819e-04] [ 2.32609148e-04 2.81247840e-04 2.32683820e-04] [-3.41533588e-04 -4.22770065e-04 5.64770453e-13] [-3.28246358e-04 2.47088735e-04 5.23556892e-13] [ 3.28246359e-04 -2.47088735e-04 -1.41289758e-13] [ 3.41533588e-04 4.22770065e-04 4.63813016e-14] [-2.81503389e-04 -8.78733367e-05 -6.75072035e-06] [ 2.81503389e-04 8.78733360e-05 -6.75072096e-06] [-2.81503389e-04 -8.78733369e-05 6.75072039e-06] [ 2.81503389e-04 8.78733371e-05 6.75072010e-06] [-2.32609150e-04 -2.81247840e-04 -2.32683817e-04] [-2.32609150e-04 -2.81247840e-04 2.32683817e-04] [ 2.32609150e-04 2.81247840e-04 -2.32683818e-04] [ 2.32609150e-04 2.81247840e-04 2.32683818e-04] [-3.41533587e-04 -4.22770066e-04 1.86253356e-13] [-3.28246361e-04 2.47088733e-04 3.29705176e-13] [ 3.28246361e-04 -2.47088733e-04 1.10165783e-15] [ 3.41533587e-04 4.22770066e-04 1.19240989e-13]] Final stress: [-1.14766994e-05 1.38862616e-05 -1.14814957e-05 1.19705124e-16 -3.65765657e-17 -1.06856080e-05] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.05743918e-02 -3.74399123e-12 -9.90694939e-13] [ 2.05743919e-02 -4.64520089e-12 1.00799924e-12] [ 1.10696435e-12 -2.05743919e-02 7.86892686e-13] [-3.27932126e-13 2.05743918e-02 2.43796650e-12] [ 2.31577951e-12 -2.45405757e-12 -3.75866969e-02] [-1.30859212e-12 -3.78244658e-12 3.75866969e-02] [-2.05743919e-02 -2.07499339e-12 -2.81768679e-12] [ 2.05743918e-02 -1.19365975e-12 3.09608399e-12] [ 1.36973766e-13 -2.05743918e-02 2.40745598e-12] [ 1.08915090e-12 2.05743918e-02 -1.95969964e-12] [-1.37346731e-13 -1.42726853e-12 -3.75866968e-02] [-5.66674008e-12 -2.55887999e-12 3.75866968e-02] [-1.68985487e-02 -1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 -1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 -1.68985487e-02 -1.63982238e-02] [ 1.68985487e-02 1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 -1.68985487e-02 1.63982238e-02] [-1.68985487e-02 -1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 -1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 -1.68985487e-02 -1.63982238e-02] [ 1.68985487e-02 1.68985487e-02 -1.63982238e-02] [-1.68985487e-02 1.68985487e-02 1.63982238e-02] [ 1.68985487e-02 -1.68985487e-02 1.63982238e-02] [-1.10606246e-11 -1.98649430e-12 -3.49970053e-12] [-8.35194717e-12 -7.18876214e-12 -1.22598149e-11] [ 1.58839608e-11 2.20763722e-03 6.43288644e-03] [ 1.19336520e-11 -2.20763721e-03 6.43288644e-03] [ 3.96459948e-12 2.20763724e-03 -6.43288643e-03] [ 2.54147619e-12 -2.20763722e-03 -6.43288644e-03] [ 2.20763723e-03 -5.70576919e-12 6.43288643e-03] [ 2.20763723e-03 -1.06392447e-11 -6.43288643e-03] [-2.20763721e-03 -2.54950401e-12 6.43288645e-03] [-2.20763722e-03 -3.68693296e-12 -6.43288644e-03] [-3.17740666e-02 -3.17740666e-02 -1.94552152e-11] [ 3.17740666e-02 -3.17740666e-02 -1.13794200e-11] [-3.17740666e-02 3.17740666e-02 -6.89463070e-12] [ 3.17740666e-02 3.17740666e-02 2.79672986e-12] [-8.35520975e-12 2.20763722e-03 6.43288644e-03] [-3.87630032e-12 -2.20763720e-03 6.43288646e-03] [-1.37043098e-11 2.20763722e-03 -6.43288645e-03] [-9.15144740e-12 -2.20763722e-03 -6.43288644e-03] [ 2.20763723e-03 -3.26501912e-12 6.43288643e-03] [ 2.20763722e-03 6.04040570e-12 -6.43288644e-03] [-2.20763722e-03 -4.44047446e-12 6.43288643e-03] [-2.20763724e-03 1.42574190e-12 -6.43288642e-03] [-3.17740666e-02 -3.17740666e-02 -8.01288153e-13] [ 3.17740666e-02 -3.17740666e-02 1.94951036e-14] [-3.17740666e-02 3.17740666e-02 -5.76321624e-12] [ 3.17740666e-02 3.17740666e-02 -6.80630639e-12]] Final stress: [-2.10236117e-04 -2.10236117e-04 9.51449919e-04 6.95636759e-15 5.86070645e-15 -7.96391032e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.36910893e-07 -4.05122984e-14 -3.09518036e-15] [-7.36911046e-07 -1.11910481e-13 1.03084208e-13] [-8.41484001e-14 1.27556243e-06 -1.22832655e-04] [-3.98014954e-14 -1.27556244e-06 1.22832655e-04] [ 8.78420600e-14 -1.23230400e-04 4.32065431e-04] [-1.89293026e-14 1.23230400e-04 -4.32065431e-04] [ 7.36911071e-07 1.32181592e-14 1.91349523e-14] [-7.36910574e-07 3.24688193e-14 -5.05641251e-15] [ 6.16074032e-14 1.27556262e-06 -1.22832655e-04] [ 1.26682519e-14 -1.27556240e-06 1.22832655e-04] [-2.86459224e-14 -1.23230400e-04 4.32065431e-04] [ 8.55257705e-14 1.23230400e-04 -4.32065431e-04] [ 3.63775535e-04 1.52770080e-04 -5.57802824e-05] [ 7.21382010e-05 -1.39318417e-04 -6.96844072e-05] [ 7.21382008e-05 1.39318417e-04 6.96844072e-05] [ 3.63775535e-04 -1.52770080e-04 5.57802823e-05] [-7.21382008e-05 1.39318417e-04 6.96844071e-05] [-3.63775535e-04 -1.52770079e-04 5.57802824e-05] [-7.21382011e-05 -1.39318417e-04 -6.96844070e-05] [-3.63775535e-04 1.52770080e-04 -5.57802826e-05] [ 3.63775535e-04 1.52770080e-04 -5.57802827e-05] [ 7.21382009e-05 -1.39318417e-04 -6.96844072e-05] [ 7.21382008e-05 1.39318417e-04 6.96844070e-05] [ 3.63775535e-04 -1.52770079e-04 5.57802823e-05] [-7.21382009e-05 1.39318417e-04 6.96844069e-05] [-3.63775535e-04 -1.52770080e-04 5.57802824e-05] [-7.21382009e-05 -1.39318417e-04 -6.96844072e-05] [-3.63775535e-04 1.52770080e-04 -5.57802825e-05] [ 2.58709720e-13 -3.37480044e-13 2.63566946e-13] [-4.86056074e-13 -9.06555803e-14 2.23865847e-13] [-7.30748795e-13 4.33417831e-04 3.46780326e-04] [-6.12756373e-13 2.38032282e-04 -3.24489593e-04] [-2.40085729e-15 -2.38032282e-04 3.24489594e-04] [-1.43093870e-13 -4.33417833e-04 -3.46780324e-04] [ 9.75741839e-05 2.84556096e-04 1.11231335e-05] [ 9.75741831e-05 -2.84556097e-04 -1.11231341e-05] [-9.75741833e-05 2.84556096e-04 1.11231340e-05] [-9.75741839e-05 -2.84556097e-04 -1.11231332e-05] [ 2.46158143e-04 2.46255046e-04 2.84840134e-04] [-2.46158145e-04 2.46255044e-04 2.84840133e-04] [ 2.46158143e-04 -2.46255047e-04 -2.84840132e-04] [-2.46158144e-04 -2.46255045e-04 -2.84840133e-04] [ 5.34169063e-13 4.33417833e-04 3.46780324e-04] [ 9.75608483e-13 2.38032281e-04 -3.24489594e-04] [-7.51924564e-14 -2.38032281e-04 3.24489595e-04] [ 2.52081776e-13 -4.33417832e-04 -3.46780325e-04] [ 9.75741839e-05 2.84556097e-04 1.11231333e-05] [ 9.75741830e-05 -2.84556097e-04 -1.11231341e-05] [-9.75741830e-05 2.84556097e-04 1.11231344e-05] [-9.75741809e-05 -2.84556097e-04 -1.11231363e-05] [ 2.46158144e-04 2.46255045e-04 2.84840132e-04] [-2.46158144e-04 2.46255045e-04 2.84840133e-04] [ 2.46158145e-04 -2.46255044e-04 -2.84840133e-04] [-2.46158145e-04 -2.46255044e-04 -2.84840133e-04]] Final stress: [ 1.08482880e-05 1.08530236e-05 -1.40933840e-05 9.84954040e-06 -6.64995995e-17 -1.82873899e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.38019854e-05 -1.71699027e-13 -3.56004289e-14] [-1.38019857e-05 1.38139500e-13 -5.48172618e-14] [ 1.38701550e-13 1.43432630e-05 9.53665907e-05] [-6.74738043e-14 -1.43432630e-05 -9.53665907e-05] [-6.38707837e-14 9.57488753e-05 4.42500727e-04] [-1.70974346e-14 -9.57488753e-05 -4.42500727e-04] [ 1.38019857e-05 1.34592858e-13 1.29028281e-13] [-1.38019853e-05 -1.38984310e-13 3.26007148e-14] [-1.48651057e-13 1.43432632e-05 9.53665907e-05] [ 9.65568771e-14 -1.43432628e-05 -9.53665905e-05] [-1.44960866e-13 9.57488756e-05 4.42500727e-04] [ 4.87335866e-14 -9.57488755e-05 -4.42500727e-04] [-9.36050002e-05 1.42393727e-04 -6.99658965e-05] [-3.83537107e-04 -1.48001318e-04 -6.39594712e-05] [-3.83537107e-04 1.48001318e-04 6.39594707e-05] [-9.36050000e-05 -1.42393727e-04 6.99658962e-05] [ 3.83537107e-04 1.48001319e-04 6.39594706e-05] [ 9.36050002e-05 -1.42393727e-04 6.99658964e-05] [ 3.83537107e-04 -1.48001318e-04 -6.39594710e-05] [ 9.36050002e-05 1.42393727e-04 -6.99658967e-05] [-9.36050002e-05 1.42393727e-04 -6.99658966e-05] [-3.83537107e-04 -1.48001319e-04 -6.39594708e-05] [-3.83537107e-04 1.48001319e-04 6.39594709e-05] [-9.36050005e-05 -1.42393727e-04 6.99658964e-05] [ 3.83537107e-04 1.48001318e-04 6.39594711e-05] [ 9.36050000e-05 -1.42393727e-04 6.99658962e-05] [ 3.83537107e-04 -1.48001319e-04 -6.39594710e-05] [ 9.36050002e-05 1.42393727e-04 -6.99658962e-05] [ 6.32160990e-13 1.25843780e-13 -2.85466095e-13] [-4.70738032e-13 -3.79311282e-13 5.67084277e-13] [-9.71001057e-13 -2.78697003e-04 -2.96269327e-04] [-1.00471714e-13 -3.97380795e-04 3.79682058e-04] [-3.84752993e-13 3.97380796e-04 -3.79682057e-04] [ 3.13669229e-13 2.78697002e-04 2.96269327e-04] [ 5.92250003e-05 -2.80398062e-04 4.16782105e-05] [ 5.92250007e-05 2.80398062e-04 -4.16782101e-05] [-5.92250017e-05 -2.80398062e-04 4.16782088e-05] [-5.92250011e-05 2.80398061e-04 -4.16782093e-05] [ 2.40159624e-04 2.40248974e-04 -2.80676689e-04] [-2.40159624e-04 2.40248975e-04 -2.80676689e-04] [ 2.40159624e-04 -2.40248975e-04 2.80676690e-04] [-2.40159624e-04 -2.40248975e-04 2.80676690e-04] [ 4.25512924e-13 -2.78697000e-04 -2.96269330e-04] [-1.93213934e-13 -3.97380797e-04 3.79682055e-04] [ 7.24860710e-13 3.97380798e-04 -3.79682055e-04] [-3.81569776e-14 2.78697000e-04 2.96269329e-04] [ 5.92249988e-05 -2.80398062e-04 4.16782121e-05] [ 5.92249986e-05 2.80398062e-04 -4.16782119e-05] [-5.92249992e-05 -2.80398062e-04 4.16782115e-05] [-5.92249979e-05 2.80398062e-04 -4.16782126e-05] [ 2.40159626e-04 2.40248972e-04 -2.80676689e-04] [-2.40159626e-04 2.40248973e-04 -2.80676689e-04] [ 2.40159627e-04 -2.40248972e-04 2.80676689e-04] [-2.40159626e-04 -2.40248973e-04 2.80676689e-04]] Final stress: [ 1.10241426e-05 1.10290074e-05 -1.41249626e-05 -1.01323531e-05 -1.18036789e-16 -1.62924019e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.07741568e-04 -2.48711208e-13 -6.24712955e-14] [-1.07741568e-04 6.78068712e-14 -9.62008251e-14] [ 1.33733736e-13 1.08361559e-04 -2.66022311e-05] [-3.83248988e-13 -1.08361559e-04 2.66022307e-05] [ 2.89308508e-14 -2.63626297e-05 -4.02802577e-04] [ 1.20736754e-14 2.63626299e-05 4.02802577e-04] [ 1.07741568e-04 1.13906280e-14 2.11870609e-13] [-1.07741568e-04 -1.64213261e-13 -4.76203318e-14] [-1.03714780e-13 1.08361558e-04 -2.66022310e-05] [ 1.85971898e-13 -1.08361559e-04 2.66022310e-05] [-1.28401196e-13 -2.63626297e-05 -4.02802577e-04] [ 1.04020959e-13 2.63626299e-05 4.02802576e-04] [ 8.21221579e-05 -2.15386448e-04 -1.68474255e-05] [ 3.95644729e-04 9.75441961e-05 1.01306670e-04] [ 3.95644729e-04 -9.75441961e-05 -1.01306670e-04] [ 8.21221585e-05 2.15386448e-04 1.68474249e-05] [-3.95644729e-04 -9.75441959e-05 -1.01306670e-04] [-8.21221584e-05 2.15386448e-04 1.68474249e-05] [-3.95644729e-04 9.75441963e-05 1.01306670e-04] [-8.21221581e-05 -2.15386448e-04 -1.68474256e-05] [ 8.21221585e-05 -2.15386448e-04 -1.68474249e-05] [ 3.95644729e-04 9.75441958e-05 1.01306670e-04] [ 3.95644729e-04 -9.75441960e-05 -1.01306670e-04] [ 8.21221576e-05 2.15386448e-04 1.68474254e-05] [-3.95644729e-04 -9.75441961e-05 -1.01306670e-04] [-8.21221579e-05 2.15386448e-04 1.68474255e-05] [-3.95644729e-04 9.75441957e-05 1.01306670e-04] [-8.21221581e-05 -2.15386447e-04 -1.68474252e-05] [-1.93373095e-13 -4.30322444e-13 -7.17065296e-13] [-3.03533240e-14 5.16617284e-13 9.57339616e-13] [-9.95981075e-13 1.42715728e-04 2.63903730e-04] [-4.04454248e-13 4.04463980e-04 -2.83786838e-04] [-9.87872978e-14 -4.04463980e-04 2.83786839e-04] [ 5.84914062e-14 -1.42715728e-04 -2.63903730e-04] [-1.30967258e-04 4.11799475e-04 -9.96519152e-06] [-1.30967256e-04 -4.11799475e-04 9.96519340e-06] [ 1.30967257e-04 4.11799475e-04 -9.96519219e-06] [ 1.30967256e-04 -4.11799475e-04 9.96519290e-06] [-2.49750110e-04 -2.49680282e-04 4.11609480e-04] [ 2.49750110e-04 -2.49680281e-04 4.11609480e-04] [-2.49750112e-04 2.49680280e-04 -4.11609477e-04] [ 2.49750111e-04 2.49680281e-04 -4.11609478e-04] [ 2.34248818e-13 1.42715729e-04 2.63903729e-04] [-6.59225279e-13 4.04463979e-04 -2.83786839e-04] [ 5.32582659e-13 -4.04463980e-04 2.83786838e-04] [-9.01904419e-14 -1.42715726e-04 -2.63903733e-04] [-1.30967256e-04 4.11799475e-04 -9.96519343e-06] [-1.30967256e-04 -4.11799476e-04 9.96519330e-06] [ 1.30967256e-04 4.11799476e-04 -9.96519326e-06] [ 1.30967258e-04 -4.11799474e-04 9.96519196e-06] [-2.49750111e-04 -2.49680281e-04 4.11609478e-04] [ 2.49750111e-04 -2.49680281e-04 4.11609478e-04] [-2.49750111e-04 2.49680281e-04 -4.11609478e-04] [ 2.49750112e-04 2.49680280e-04 -4.11609479e-04]] Final stress: [-1.09105833e-05 -1.09064380e-05 1.41267213e-05 1.09478699e-05 -1.06404555e-16 1.33005693e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.53510388e-06 2.20665500e-14 2.78366739e-14] [-2.53510407e-06 1.73805415e-13 3.83582055e-14] [ 2.50631547e-13 3.07520204e-06 1.13749957e-04] [ 6.51700915e-14 -3.07520170e-06 -1.13749957e-04] [-1.01459639e-14 1.13378862e-04 -4.32022644e-04] [ 2.77555756e-15 -1.13378862e-04 4.32022643e-04] [ 2.53510380e-06 -3.36709827e-15 -8.44703733e-14] [-2.53510438e-06 -4.36846739e-15 -7.59202994e-14] [-1.58004686e-13 3.07520181e-06 1.13749956e-04] [-2.22718979e-13 -3.07520172e-06 -1.13749956e-04] [-4.73145828e-16 1.13378862e-04 -4.32022644e-04] [ 6.54381063e-15 -1.13378862e-04 4.32022644e-04] [-3.69555228e-04 -1.50580790e-04 5.81066095e-05] [-6.97272329e-05 1.48785937e-04 5.94693143e-05] [-6.97272330e-05 -1.48785937e-04 -5.94693139e-05] [-3.69555228e-04 1.50580790e-04 -5.81066095e-05] [ 6.97272329e-05 -1.48785937e-04 -5.94693142e-05] [ 3.69555228e-04 1.50580790e-04 -5.81066094e-05] [ 6.97272330e-05 1.48785937e-04 5.94693144e-05] [ 3.69555228e-04 -1.50580790e-04 5.81066093e-05] [-3.69555229e-04 -1.50580790e-04 5.81066094e-05] [-6.97272330e-05 1.48785937e-04 5.94693141e-05] [-6.97272331e-05 -1.48785937e-04 -5.94693143e-05] [-3.69555228e-04 1.50580790e-04 -5.81066097e-05] [ 6.97272329e-05 -1.48785937e-04 -5.94693140e-05] [ 3.69555228e-04 1.50580790e-04 -5.81066098e-05] [ 6.97272327e-05 1.48785937e-04 5.94693139e-05] [ 3.69555228e-04 -1.50580790e-04 5.81066095e-05] [ 5.40095746e-13 2.85299562e-13 7.99721400e-13] [ 1.01839544e-13 4.23334531e-14 -2.00899705e-13] [ 9.60231894e-13 -4.28780624e-04 -3.44645853e-04] [ 2.63938177e-13 -2.27795817e-04 3.12142069e-04] [ 5.99485739e-13 2.27795816e-04 -3.12142070e-04] [ 3.32983641e-13 4.28780625e-04 3.44645852e-04] [-1.00603985e-04 -2.94184195e-04 -1.62704394e-05] [-1.00603986e-04 2.94184195e-04 1.62704384e-05] [ 1.00603986e-04 -2.94184195e-04 -1.62704389e-05] [ 1.00603987e-04 2.94184195e-04 1.62704378e-05] [-2.48714712e-04 -2.48621376e-04 -2.93914609e-04] [ 2.48714713e-04 -2.48621376e-04 -2.93914609e-04] [-2.48714713e-04 2.48621376e-04 2.93914608e-04] [ 2.48714712e-04 2.48621378e-04 2.93914608e-04] [ 1.78981396e-13 -4.28780623e-04 -3.44645854e-04] [-6.30866887e-14 -2.27795817e-04 3.12142069e-04] [ 2.51730060e-13 2.27795817e-04 -3.12142069e-04] [-2.58881458e-13 4.28780622e-04 3.44645855e-04] [-1.00603988e-04 -2.94184196e-04 -1.62704375e-05] [-1.00603987e-04 2.94184196e-04 1.62704379e-05] [ 1.00603988e-04 -2.94184196e-04 -1.62704372e-05] [ 1.00603987e-04 2.94184196e-04 1.62704377e-05] [-2.48714712e-04 -2.48621377e-04 -2.93914607e-04] [ 2.48714712e-04 -2.48621378e-04 -2.93914607e-04] [-2.48714712e-04 2.48621377e-04 2.93914609e-04] [ 2.48714710e-04 2.48621379e-04 2.93914608e-04]] Final stress: [-1.10234530e-05 -1.10190068e-05 1.38526416e-05 -9.96958688e-06 -1.99508540e-17 6.48402755e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 9.25622891e-06 -4.50637791e-14 -6.18285893e-05] [-9.25622856e-06 -4.88498131e-15 6.18285895e-05] [-3.16240090e-14 8.70126413e-06 -8.47195578e-15] [-1.21819221e-13 -8.70126412e-06 9.27313781e-14] [-6.21805081e-05 6.03913621e-14 4.46912996e-04] [ 6.21805082e-05 4.10227408e-14 -4.46912996e-04] [ 9.25622810e-06 9.59158968e-14 -6.18285892e-05] [-9.25622934e-06 3.15832430e-14 6.18285893e-05] [-1.10974598e-14 8.70126420e-06 1.72112047e-13] [-1.52447499e-14 -8.70126377e-06 -8.75880468e-14] [-6.21805084e-05 -6.29061590e-14 4.46912996e-04] [ 6.21805083e-05 8.21467827e-14 -4.46912996e-04] [ 1.36580435e-04 4.02324273e-04 -7.66131894e-05] [-1.54530803e-04 1.11704891e-04 -5.90037048e-05] [-1.36580435e-04 4.02324273e-04 7.66131890e-05] [ 1.54530803e-04 1.11704891e-04 5.90037051e-05] [ 1.54530803e-04 -1.11704891e-04 5.90037051e-05] [-1.36580435e-04 -4.02324273e-04 7.66131892e-05] [ 1.36580435e-04 -4.02324273e-04 -7.66131897e-05] [-1.54530804e-04 -1.11704891e-04 -5.90037048e-05] [ 1.36580435e-04 4.02324273e-04 -7.66131894e-05] [-1.54530804e-04 1.11704891e-04 -5.90037050e-05] [-1.36580435e-04 4.02324273e-04 7.66131895e-05] [ 1.54530803e-04 1.11704891e-04 5.90037046e-05] [ 1.54530803e-04 -1.11704891e-04 5.90037047e-05] [-1.36580435e-04 -4.02324273e-04 7.66131896e-05] [ 1.36580435e-04 -4.02324273e-04 -7.66131894e-05] [-1.54530803e-04 -1.11704891e-04 -5.90037050e-05] [-3.01009218e-13 2.51992871e-13 -7.67441666e-14] [ 9.17909845e-13 -4.14663273e-13 -6.13097656e-13] [ 2.94696802e-04 3.33883589e-05 6.50933027e-05] [ 2.94696802e-04 -3.33883594e-05 6.50933024e-05] [-2.94696801e-04 3.33883579e-05 -6.50933037e-05] [-2.94696801e-04 -3.33883578e-05 -6.50933036e-05] [ 3.65315545e-04 -4.07673895e-13 3.96878676e-04] [-2.98313938e-04 7.11531528e-14 2.66624537e-04] [ 2.98313938e-04 -6.05815745e-13 -2.66624537e-04] [-3.65315546e-04 2.04598491e-13 -3.96878676e-04] [ 2.35752989e-04 2.35673665e-04 2.94960118e-04] [-2.35752988e-04 2.35673665e-04 -2.94960118e-04] [ 2.35752988e-04 -2.35673665e-04 2.94960118e-04] [-2.35752988e-04 -2.35673665e-04 -2.94960119e-04] [ 2.94696802e-04 3.33883587e-05 6.50933029e-05] [ 2.94696802e-04 -3.33883588e-05 6.50933026e-05] [-2.94696802e-04 3.33883586e-05 -6.50933029e-05] [-2.94696802e-04 -3.33883577e-05 -6.50933039e-05] [ 3.65315544e-04 7.13750793e-14 3.96878677e-04] [-2.98313938e-04 -1.71555478e-14 2.66624537e-04] [ 2.98313939e-04 2.85362445e-13 -2.66624537e-04] [-3.65315546e-04 2.47837341e-13 -3.96878675e-04] [ 2.35752988e-04 2.35673665e-04 2.94960118e-04] [-2.35752988e-04 2.35673665e-04 -2.94960118e-04] [ 2.35752989e-04 -2.35673665e-04 2.94960119e-04] [-2.35752989e-04 -2.35673665e-04 -2.94960118e-04]] Final stress: [ 1.11493148e-05 1.11444106e-05 -1.41950275e-05 -7.14870695e-17 1.04898033e-05 8.97744594e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.84365780e-05 -9.40545385e-14 8.67932417e-05] [-1.84365785e-05 2.43638443e-13 -8.67932416e-05] [ 1.27376408e-13 1.78944561e-05 -7.30353278e-14] [-9.15933995e-15 -1.78944560e-05 -4.30211422e-14] [ 8.71707756e-05 1.34640563e-14 4.45754855e-04] [-8.71707757e-05 -1.19071419e-14 -4.45754855e-04] [ 1.84365785e-05 9.61696001e-14 8.67932416e-05] [-1.84365788e-05 -2.67757171e-13 -8.67932415e-05] [-3.02293347e-13 1.78944563e-05 -6.11868413e-14] [ 1.38003324e-13 -1.78944560e-05 -3.98720417e-14] [ 8.71707756e-05 7.10384526e-14 4.45754855e-04] [-8.71707758e-05 4.69931403e-14 -4.45754855e-04] [ 1.43343020e-04 -1.00308194e-04 -7.00622922e-05] [-1.46514212e-04 -3.89698694e-04 -6.65090430e-05] [-1.43343021e-04 -1.00308194e-04 7.00622922e-05] [ 1.46514213e-04 -3.89698694e-04 6.65090431e-05] [ 1.46514212e-04 3.89698694e-04 6.65090430e-05] [-1.43343020e-04 1.00308194e-04 7.00622925e-05] [ 1.43343020e-04 1.00308194e-04 -7.00622925e-05] [-1.46514212e-04 3.89698693e-04 -6.65090429e-05] [ 1.43343020e-04 -1.00308194e-04 -7.00622925e-05] [-1.46514212e-04 -3.89698693e-04 -6.65090427e-05] [-1.43343020e-04 -1.00308194e-04 7.00622921e-05] [ 1.46514212e-04 -3.89698694e-04 6.65090431e-05] [ 1.46514212e-04 3.89698693e-04 6.65090430e-05] [-1.43343020e-04 1.00308194e-04 7.00622922e-05] [ 1.43343020e-04 1.00308194e-04 -7.00622924e-05] [-1.46514212e-04 3.89698694e-04 -6.65090425e-05] [ 7.18120008e-13 -3.02508019e-13 6.06181771e-14] [ 1.05546648e-13 -2.64012694e-13 4.98587193e-13] [-2.79077609e-04 4.72111245e-05 5.12523070e-05] [-2.79077608e-04 -4.72111233e-05 5.12523083e-05] [ 2.79077608e-04 4.72111230e-05 -5.12523085e-05] [ 2.79077609e-04 -4.72111219e-05 -5.12523096e-05] [-2.91431592e-04 7.46736006e-13 -2.87422033e-04] [ 3.86086512e-04 1.19814401e-12 -3.89986688e-04] [-3.86086513e-04 -2.45197959e-13 3.89986687e-04] [ 2.91431591e-04 -5.41967513e-13 2.87422035e-04] [ 2.38364311e-04 2.38277359e-04 -2.79354536e-04] [-2.38364311e-04 2.38277359e-04 2.79354535e-04] [ 2.38364311e-04 -2.38277359e-04 -2.79354536e-04] [-2.38364311e-04 -2.38277359e-04 2.79354535e-04] [-2.79077608e-04 4.72111200e-05 5.12523116e-05] [-2.79077609e-04 -4.72111203e-05 5.12523115e-05] [ 2.79077609e-04 4.72111201e-05 -5.12523116e-05] [ 2.79077609e-04 -4.72111203e-05 -5.12523115e-05] [-2.91431589e-04 -4.60615032e-13 -2.87422037e-04] [ 3.86086516e-04 -4.22721970e-13 -3.89986685e-04] [-3.86086515e-04 1.49613828e-13 3.89986686e-04] [ 2.91431587e-04 -1.64842098e-14 2.87422038e-04] [ 2.38364309e-04 2.38277361e-04 -2.79354535e-04] [-2.38364309e-04 2.38277361e-04 2.79354535e-04] [ 2.38364308e-04 -2.38277361e-04 -2.79354535e-04] [-2.38364306e-04 -2.38277364e-04 2.79354535e-04]] Final stress: [ 1.10839821e-05 1.10790754e-05 -1.41344430e-05 -5.98496396e-17 -1.02206302e-05 -2.61010928e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.44940878e-05 -5.39659463e-14 -8.06931555e-05] [ 1.44940872e-05 -4.46309656e-14 8.06931557e-05] [-1.05649864e-13 -1.50367639e-05 3.64552138e-15] [-4.53526106e-14 1.50367640e-05 -1.08801856e-14] [-8.03414389e-05 1.89336394e-13 -4.45503918e-04] [ 8.03414388e-05 -5.70932190e-14 4.45503918e-04] [-1.44940873e-05 -1.03077269e-14 -8.06931555e-05] [ 1.44940881e-05 8.59906764e-14 8.06931554e-05] [-8.34766284e-14 -1.50367636e-05 5.58037936e-14] [ 8.41644462e-15 1.50367641e-05 -2.81778757e-14] [-8.03414386e-05 -1.46031496e-14 -4.45503918e-04] [ 8.03414388e-05 3.44247537e-14 4.45503918e-04] [-1.52080263e-04 9.59288660e-05 6.03039084e-05] [ 1.44917714e-04 3.93401720e-04 6.78341746e-05] [ 1.52080263e-04 9.59288657e-05 -6.03039083e-05] [-1.44917714e-04 3.93401719e-04 -6.78341752e-05] [-1.44917714e-04 -3.93401719e-04 -6.78341750e-05] [ 1.52080263e-04 -9.59288656e-05 -6.03039081e-05] [-1.52080263e-04 -9.59288659e-05 6.03039082e-05] [ 1.44917714e-04 -3.93401720e-04 6.78341749e-05] [-1.52080263e-04 9.59288655e-05 6.03039080e-05] [ 1.44917714e-04 3.93401719e-04 6.78341749e-05] [ 1.52080263e-04 9.59288656e-05 -6.03039085e-05] [-1.44917714e-04 3.93401720e-04 -6.78341748e-05] [-1.44917714e-04 -3.93401719e-04 -6.78341750e-05] [ 1.52080263e-04 -9.59288659e-05 -6.03039084e-05] [-1.52080263e-04 -9.59288657e-05 6.03039081e-05] [ 1.44917714e-04 -3.93401719e-04 6.78341749e-05] [ 2.87686541e-13 7.41073869e-14 2.63095101e-13] [-7.84276290e-13 -4.48124378e-13 5.05678371e-13] [ 2.88270609e-04 -5.60849133e-05 -5.02661018e-05] [ 2.88270610e-04 5.60849145e-05 -5.02661006e-05] [-2.88270610e-04 -5.60849137e-05 5.02661018e-05] [-2.88270610e-04 5.60849136e-05 5.02661016e-05] [ 2.75449751e-04 -1.09134923e-13 2.81258845e-04] [-3.87400471e-04 -7.11600917e-14 3.81740603e-04] [ 3.87400471e-04 -4.03770767e-13 -3.81740603e-04] [-2.75449751e-04 8.61723887e-14 -2.81258845e-04] [-2.41050591e-04 -2.41135198e-04 2.88007618e-04] [ 2.41050591e-04 -2.41135198e-04 -2.88007617e-04] [-2.41050592e-04 2.41135197e-04 2.88007618e-04] [ 2.41050591e-04 2.41135198e-04 -2.88007617e-04] [ 2.88270610e-04 -5.60849145e-05 -5.02661008e-05] [ 2.88270610e-04 5.60849148e-05 -5.02661005e-05] [-2.88270609e-04 -5.60849143e-05 5.02661010e-05] [-2.88270610e-04 5.60849150e-05 5.02661004e-05] [ 2.75449752e-04 6.72040337e-14 2.81258844e-04] [-3.87400470e-04 -4.79522021e-13 3.81740604e-04] [ 3.87400470e-04 1.66190412e-13 -3.81740604e-04] [-2.75449751e-04 -9.80522087e-14 -2.81258845e-04] [-2.41050592e-04 -2.41135198e-04 2.88007617e-04] [ 2.41050592e-04 -2.41135197e-04 -2.88007618e-04] [-2.41050592e-04 2.41135197e-04 2.88007618e-04] [ 2.41050592e-04 2.41135197e-04 -2.88007617e-04]] Final stress: [-1.12363354e-05 -1.12409416e-05 1.38706749e-05 2.70999100e-16 1.03096506e-05 -3.07575666e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.20841536e-04 1.00199363e-13 3.61306491e-05] [-1.20841536e-04 -4.74620343e-15 -3.61306493e-05] [-1.95250933e-13 1.20218658e-04 -1.85589391e-14] [-4.41036097e-14 -1.20218658e-04 -8.78741524e-14] [ 3.58889028e-05 -6.25454549e-14 -3.95746700e-04] [-3.58889029e-05 -6.90003610e-14 3.95746699e-04] [ 1.20841536e-04 -1.21825293e-13 3.61306494e-05] [-1.20841536e-04 2.02897595e-14 -3.61306492e-05] [ 7.96463590e-14 1.20218657e-04 -2.01840086e-14] [-3.49902399e-14 -1.20218658e-04 2.71125919e-14] [ 3.58889028e-05 -2.13339183e-13 -3.95746699e-04] [-3.58889029e-05 9.72360680e-14 3.95746699e-04] [-9.73112099e-05 -3.86967200e-04 9.93615645e-05] [ 2.17266560e-04 -7.17967828e-05 -2.09271066e-05] [ 9.73112099e-05 -3.86967200e-04 -9.93615649e-05] [-2.17266560e-04 -7.17967831e-05 2.09271066e-05] [-2.17266560e-04 7.17967833e-05 2.09271065e-05] [ 9.73112102e-05 3.86967200e-04 -9.93615648e-05] [-9.73112100e-05 3.86967200e-04 9.93615646e-05] [ 2.17266560e-04 7.17967832e-05 -2.09271067e-05] [-9.73112101e-05 -3.86967200e-04 9.93615645e-05] [ 2.17266560e-04 -7.17967832e-05 -2.09271063e-05] [ 9.73112100e-05 -3.86967200e-04 -9.93615644e-05] [-2.17266560e-04 -7.17967832e-05 2.09271067e-05] [-2.17266560e-04 7.17967834e-05 2.09271067e-05] [ 9.73112100e-05 3.86967200e-04 -9.93615646e-05] [-9.73112098e-05 3.86967200e-04 9.93615648e-05] [ 2.17266560e-04 7.17967834e-05 -2.09271068e-05] [-1.34808831e-13 1.90875094e-13 1.53849156e-13] [ 5.04635396e-14 -9.10933719e-16 -4.45243504e-14] [-4.20014999e-04 -1.50989703e-04 4.49135367e-06] [-4.20014999e-04 1.50989700e-04 4.49135091e-06] [ 4.20014999e-04 -1.50989702e-04 -4.49135306e-06] [ 4.20014998e-04 1.50989701e-04 -4.49135193e-06] [-4.20498249e-04 -8.76076989e-13 -2.65365586e-04] [ 1.18704872e-04 -7.72278075e-13 -2.74389809e-04] [-1.18704872e-04 -6.70002248e-13 2.74389810e-04] [ 4.20498248e-04 -2.35651776e-13 2.65365587e-04] [-2.52884912e-04 -2.52957515e-04 -4.19826355e-04] [ 2.52884910e-04 -2.52957517e-04 4.19826356e-04] [-2.52884911e-04 2.52957516e-04 -4.19826355e-04] [ 2.52884910e-04 2.52957517e-04 4.19826355e-04] [-4.20014999e-04 -1.50989702e-04 4.49135272e-06] [-4.20014998e-04 1.50989701e-04 4.49135257e-06] [ 4.20014999e-04 -1.50989703e-04 -4.49135362e-06] [ 4.20014999e-04 1.50989703e-04 -4.49135431e-06] [-4.20498247e-04 4.36889236e-13 -2.65365588e-04] [ 1.18704873e-04 4.65986407e-13 -2.74389808e-04] [-1.18704872e-04 -6.74572377e-13 2.74389809e-04] [ 4.20498249e-04 4.87537961e-13 2.65365587e-04] [-2.52884912e-04 -2.52957515e-04 -4.19826355e-04] [ 2.52884913e-04 -2.52957514e-04 4.19826355e-04] [-2.52884910e-04 2.52957516e-04 -4.19826355e-04] [ 2.52884910e-04 2.52957516e-04 4.19826355e-04]] Final stress: [-1.08103045e-05 -1.08143619e-05 1.41324742e-05 -3.54127658e-16 -1.08538553e-05 3.49139945e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.32880109e-06 -1.10958958e-04 -8.18230032e-14] [-7.32880059e-06 1.10958958e-04 -2.28539410e-13] [-1.10958958e-04 7.32880078e-06 -5.85304374e-14] [ 1.10958958e-04 -7.32880062e-06 -3.26128013e-14] [-1.16530049e-13 -1.17322818e-13 4.36398083e-04] [-2.42861287e-14 -1.77580173e-13 -4.36398083e-04] [ 7.32880109e-06 -1.10958958e-04 5.82176589e-14] [-7.32880112e-06 1.10958958e-04 1.76165412e-13] [-1.10958958e-04 7.32880092e-06 8.98057175e-14] [ 1.10958958e-04 -7.32880119e-06 -7.29594046e-14] [ 8.94054795e-14 -5.72223650e-14 4.36398083e-04] [-1.36639831e-14 1.46303995e-13 -4.36398083e-04] [ 1.50745789e-04 1.50745789e-04 1.62706842e-04] [-1.50745790e-04 -1.50745790e-04 1.62706841e-04] [-1.40541192e-04 1.40541193e-04 2.92581956e-04] [ 1.40541193e-04 -1.40541193e-04 2.92581956e-04] [ 1.50745789e-04 1.50745789e-04 -1.62706842e-04] [-1.50745790e-04 -1.50745790e-04 -1.62706842e-04] [ 1.40541193e-04 -1.40541192e-04 -2.92581956e-04] [-1.40541192e-04 1.40541192e-04 -2.92581956e-04] [ 1.50745790e-04 1.50745790e-04 1.62706842e-04] [-1.50745789e-04 -1.50745789e-04 1.62706842e-04] [-1.40541192e-04 1.40541192e-04 2.92581956e-04] [ 1.40541192e-04 -1.40541192e-04 2.92581956e-04] [ 1.50745790e-04 1.50745789e-04 -1.62706842e-04] [-1.50745789e-04 -1.50745789e-04 -1.62706842e-04] [ 1.40541193e-04 -1.40541193e-04 -2.92581956e-04] [-1.40541192e-04 1.40541193e-04 -2.92581956e-04] [-8.03523914e-13 -4.18526325e-13 -5.94385652e-13] [-7.99230473e-14 3.49093574e-13 2.57790334e-13] [ 2.82426858e-04 7.95190416e-05 2.55284795e-05] [-2.82426858e-04 -7.95190414e-05 2.55284799e-05] [ 2.82426858e-04 7.95190427e-05 -2.55284788e-05] [-2.82426858e-04 -7.95190422e-05 -2.55284794e-05] [ 7.95190408e-05 2.82426858e-04 2.55284804e-05] [ 7.95190422e-05 2.82426858e-04 -2.55284791e-05] [-7.95190409e-05 -2.82426858e-04 2.55284804e-05] [-7.95190423e-05 -2.82426858e-04 -2.55284794e-05] [ 5.79787786e-04 5.79787787e-04 7.81708032e-13] [ 9.29343042e-05 -9.29343038e-05 9.93554197e-13] [-9.29343035e-05 9.29343043e-05 2.79196805e-13] [-5.79787786e-04 -5.79787787e-04 6.18281468e-13] [ 2.82426858e-04 7.95190423e-05 2.55284796e-05] [-2.82426858e-04 -7.95190432e-05 2.55284786e-05] [ 2.82426858e-04 7.95190411e-05 -2.55284804e-05] [-2.82426858e-04 -7.95190411e-05 -2.55284801e-05] [ 7.95190425e-05 2.82426858e-04 2.55284792e-05] [ 7.95190412e-05 2.82426858e-04 -2.55284803e-05] [-7.95190423e-05 -2.82426858e-04 2.55284794e-05] [-7.95190416e-05 -2.82426858e-04 -2.55284799e-05] [ 5.79787786e-04 5.79787787e-04 -5.27739573e-13] [ 9.29343040e-05 -9.29343038e-05 -5.17196664e-13] [-9.29343043e-05 9.29343036e-05 -2.56792844e-13] [-5.79787786e-04 -5.79787787e-04 -6.75914186e-13]] Final stress: [ 1.09356315e-05 1.09356315e-05 -1.41126173e-05 -1.13049319e-16 1.16374299e-16 9.98710353e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.12611464e-05 8.14563089e-05 -3.06720795e-14] [-2.12611470e-05 -8.14563088e-05 1.31644695e-13] [ 8.14563088e-05 2.12611469e-05 8.83060985e-14] [-8.14563089e-05 -2.12611466e-05 -6.18949336e-14] [ 6.26738245e-14 1.15263701e-14 4.47658835e-04] [-4.52138327e-14 8.02136135e-14 -4.47658835e-04] [ 2.12611469e-05 8.14563090e-05 1.95520738e-14] [-2.12611464e-05 -8.14563089e-05 -1.03353581e-13] [ 8.14563088e-05 2.12611469e-05 -6.90801301e-14] [-8.14563089e-05 -2.12611467e-05 -3.27612802e-14] [-1.09118010e-13 5.80328186e-14 4.47658835e-04] [-2.05720857e-14 1.53930120e-14 -4.47658836e-04] [ 1.43904262e-04 1.43904262e-04 -3.19316165e-04] [-1.43904262e-04 -1.43904262e-04 -3.19316166e-04] [-1.45579048e-04 1.45579048e-04 -1.80316817e-04] [ 1.45579049e-04 -1.45579049e-04 -1.80316817e-04] [ 1.43904262e-04 1.43904262e-04 3.19316165e-04] [-1.43904262e-04 -1.43904262e-04 3.19316165e-04] [ 1.45579049e-04 -1.45579048e-04 1.80316817e-04] [-1.45579048e-04 1.45579048e-04 1.80316817e-04] [ 1.43904262e-04 1.43904262e-04 -3.19316166e-04] [-1.43904262e-04 -1.43904262e-04 -3.19316166e-04] [-1.45579049e-04 1.45579049e-04 -1.80316817e-04] [ 1.45579048e-04 -1.45579048e-04 -1.80316817e-04] [ 1.43904262e-04 1.43904262e-04 3.19316165e-04] [-1.43904262e-04 -1.43904262e-04 3.19316165e-04] [ 1.45579048e-04 -1.45579048e-04 1.80316817e-04] [-1.45579049e-04 1.45579049e-04 1.80316818e-04] [ 7.50566276e-13 -4.43839410e-13 2.79831713e-13] [-6.18024729e-13 -1.72969142e-13 1.40882039e-13] [-2.78053787e-04 3.73493201e-05 5.93899955e-05] [ 2.78053786e-04 -3.73493196e-05 5.93899962e-05] [-2.78053786e-04 3.73493204e-05 -5.93899949e-05] [ 2.78053786e-04 -3.73493197e-05 -5.93899956e-05] [ 3.73493168e-05 -2.78053786e-04 5.93899984e-05] [ 3.73493180e-05 -2.78053786e-04 -5.93899973e-05] [-3.73493164e-05 2.78053786e-04 5.93899986e-05] [-3.73493181e-05 2.78053786e-04 -5.93899972e-05] [-1.01890915e-04 -1.01890916e-04 1.03228537e-12] [-5.75702454e-04 5.75702449e-04 5.70196668e-13] [ 5.75702452e-04 -5.75702451e-04 9.44990614e-13] [ 1.01890914e-04 1.01890917e-04 3.45196094e-13] [-2.78053786e-04 3.73493182e-05 5.93899974e-05] [ 2.78053787e-04 -3.73493184e-05 5.93899971e-05] [-2.78053786e-04 3.73493166e-05 -5.93899985e-05] [ 2.78053786e-04 -3.73493163e-05 -5.93899989e-05] [ 3.73493207e-05 -2.78053786e-04 5.93899944e-05] [ 3.73493206e-05 -2.78053786e-04 -5.93899946e-05] [-3.73493198e-05 2.78053786e-04 5.93899958e-05] [-3.73493186e-05 2.78053786e-04 -5.93899969e-05] [-1.01890916e-04 -1.01890914e-04 -3.78941562e-13] [-5.75702450e-04 5.75702452e-04 -2.25643258e-13] [ 5.75702450e-04 -5.75702453e-04 -5.45962113e-13] [ 1.01890917e-04 1.01890914e-04 -1.48501437e-13]] Final stress: [ 1.11263360e-05 1.11263360e-05 -1.41495730e-05 9.97493993e-18 8.31244994e-17 -1.02915144e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.55523182e-05 -1.36909136e-04 9.96164956e-15] [-1.55523180e-05 1.36909136e-04 5.57887070e-15] [-1.36909136e-04 1.55523182e-05 -4.91455834e-14] [ 1.36909136e-04 -1.55523178e-05 -8.48210391e-14] [-5.38701028e-14 2.12477605e-14 -4.22706793e-04] [-9.74220704e-15 -5.40678613e-14 4.22706793e-04] [ 1.55523180e-05 -1.36909136e-04 -2.13434355e-14] [-1.55523178e-05 1.36909136e-04 -1.80508904e-14] [-1.36909136e-04 1.55523181e-05 3.18268598e-14] [ 1.36909136e-04 -1.55523178e-05 -3.55324484e-14] [ 1.83694206e-14 -4.27403203e-14 -4.22706793e-04] [-6.25259393e-14 4.33757858e-14 4.22706793e-04] [-1.46504437e-04 -1.46504437e-04 2.56130636e-04] [ 1.46504437e-04 1.46504437e-04 2.56130636e-04] [ 1.54508889e-04 -1.54508889e-04 1.46659993e-04] [-1.54508889e-04 1.54508889e-04 1.46659993e-04] [-1.46504437e-04 -1.46504437e-04 -2.56130636e-04] [ 1.46504437e-04 1.46504437e-04 -2.56130636e-04] [-1.54508889e-04 1.54508889e-04 -1.46659993e-04] [ 1.54508889e-04 -1.54508889e-04 -1.46659993e-04] [-1.46504437e-04 -1.46504437e-04 2.56130636e-04] [ 1.46504437e-04 1.46504437e-04 2.56130636e-04] [ 1.54508889e-04 -1.54508889e-04 1.46659993e-04] [-1.54508889e-04 1.54508889e-04 1.46659993e-04] [-1.46504437e-04 -1.46504437e-04 -2.56130636e-04] [ 1.46504437e-04 1.46504437e-04 -2.56130636e-04] [-1.54508889e-04 1.54508889e-04 -1.46659993e-04] [ 1.54508888e-04 -1.54508889e-04 -1.46659993e-04] [-2.45636844e-14 -4.62047067e-13 9.65894031e-15] [-4.67203533e-13 -1.98576389e-13 3.90068643e-13] [ 2.98428012e-04 -1.33825959e-04 9.42893996e-06] [-2.98428011e-04 1.33825959e-04 9.42893937e-06] [ 2.98428012e-04 -1.33825959e-04 -9.42893985e-06] [-2.98428012e-04 1.33825958e-04 -9.42893880e-06] [-1.33825958e-04 2.98428011e-04 9.42893863e-06] [-1.33825957e-04 2.98428012e-04 -9.42893804e-06] [ 1.33825958e-04 -2.98428012e-04 9.42893805e-06] [ 1.33825957e-04 -2.98428011e-04 -9.42893753e-06] [ 7.23311278e-05 7.23311278e-05 7.84261545e-13] [ 5.80645548e-04 -5.80645547e-04 5.56063876e-13] [-5.80645548e-04 5.80645547e-04 -7.54309809e-14] [-7.23311277e-05 -7.23311282e-05 1.39513401e-13] [ 2.98428012e-04 -1.33825958e-04 9.42893848e-06] [-2.98428012e-04 1.33825957e-04 9.42893777e-06] [ 2.98428012e-04 -1.33825958e-04 -9.42893823e-06] [-2.98428012e-04 1.33825958e-04 -9.42893887e-06] [-1.33825958e-04 2.98428012e-04 9.42893930e-06] [-1.33825959e-04 2.98428011e-04 -9.42893950e-06] [ 1.33825958e-04 -2.98428012e-04 9.42893880e-06] [ 1.33825959e-04 -2.98428011e-04 -9.42893914e-06] [ 7.23311286e-05 7.23311272e-05 -2.90328881e-13] [ 5.80645547e-04 -5.80645548e-04 -6.54408961e-13] [-5.80645546e-04 5.80645549e-04 -1.91614716e-13] [-7.23311292e-05 -7.23311269e-05 8.91170818e-15]] Final stress: [-1.08589994e-05 -1.08589994e-05 1.38296290e-05 8.14659872e-17 1.13054839e-16 9.71647253e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.06642023e-05 8.72277383e-05 4.57706789e-14] [ 1.06642025e-05 -8.72277382e-05 1.52794444e-13] [ 8.72277381e-05 -1.06642028e-05 3.14609450e-14] [-8.72277381e-05 1.06642025e-05 6.64190924e-14] [-1.08940201e-13 2.16406754e-15 -4.42963785e-04] [-5.25690602e-14 -3.34454686e-14 4.42963785e-04] [-1.06642028e-05 8.72277380e-05 -8.53262322e-14] [ 1.06642024e-05 -8.72277381e-05 -2.16926557e-13] [ 8.72277382e-05 -1.06642019e-05 -1.02681184e-13] [-8.72277383e-05 1.06642025e-05 -1.12080334e-13] [-6.02222265e-14 4.13858198e-15 -4.42963786e-04] [ 5.74037345e-14 1.77310046e-13 4.42963785e-04] [-1.46026151e-04 -1.46026151e-04 -1.76295506e-04] [ 1.46026151e-04 1.46026151e-04 -1.76295507e-04] [ 1.51498997e-04 -1.51498997e-04 -3.01562584e-04] [-1.51498997e-04 1.51498997e-04 -3.01562584e-04] [-1.46026151e-04 -1.46026151e-04 1.76295506e-04] [ 1.46026151e-04 1.46026151e-04 1.76295507e-04] [-1.51498997e-04 1.51498997e-04 3.01562584e-04] [ 1.51498997e-04 -1.51498997e-04 3.01562584e-04] [-1.46026151e-04 -1.46026151e-04 -1.76295507e-04] [ 1.46026151e-04 1.46026151e-04 -1.76295506e-04] [ 1.51498997e-04 -1.51498997e-04 -3.01562584e-04] [-1.51498997e-04 1.51498997e-04 -3.01562585e-04] [-1.46026152e-04 -1.46026151e-04 1.76295506e-04] [ 1.46026151e-04 1.46026151e-04 1.76295506e-04] [-1.51498997e-04 1.51498997e-04 3.01562584e-04] [ 1.51498997e-04 -1.51498997e-04 3.01562584e-04] [-5.13478149e-13 3.02979863e-13 9.21207555e-14] [ 1.88306402e-13 -1.85591515e-13 -1.16813015e-13] [-2.89718482e-04 -6.69843944e-05 -4.17006181e-05] [ 2.89718482e-04 6.69843933e-05 -4.17006194e-05] [-2.89718482e-04 -6.69843947e-05 4.17006180e-05] [ 2.89718482e-04 6.69843935e-05 4.17006193e-05] [-6.69843933e-05 -2.89718483e-04 -4.17006196e-05] [-6.69843936e-05 -2.89718483e-04 4.17006196e-05] [ 6.69843932e-05 2.89718481e-04 -4.17006196e-05] [ 6.69843934e-05 2.89718482e-04 4.17006199e-05] [-5.74023042e-04 -5.74023043e-04 7.48845430e-13] [-8.83693549e-05 8.83693538e-05 4.25909308e-14] [ 8.83693539e-05 -8.83693548e-05 1.07041112e-13] [ 5.74023043e-04 5.74023042e-04 -2.29748512e-13] [-2.89718482e-04 -6.69843932e-05 -4.17006199e-05] [ 2.89718483e-04 6.69843939e-05 -4.17006188e-05] [-2.89718482e-04 -6.69843926e-05 4.17006203e-05] [ 2.89718482e-04 6.69843941e-05 4.17006182e-05] [-6.69843939e-05 -2.89718482e-04 -4.17006186e-05] [-6.69843935e-05 -2.89718482e-04 4.17006192e-05] [ 6.69843933e-05 2.89718483e-04 -4.17006191e-05] [ 6.69843938e-05 2.89718483e-04 4.17006186e-05] [-5.74023043e-04 -5.74023043e-04 -1.56021490e-14] [-8.83693538e-05 8.83693546e-05 -1.24123297e-13] [ 8.83693553e-05 -8.83693534e-05 -3.25425688e-14] [ 5.74023041e-04 5.74023044e-04 1.00857690e-13]] Final stress: [-1.11852068e-05 -1.11852068e-05 1.38598923e-05 5.32022773e-17 -1.19705124e-16 -1.02268282e-05] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-7.21112273e-03 -5.46485600e-13 -6.54629129e-13] [ 7.21112273e-03 1.52766688e-13 -2.40640841e-13] [-2.77688029e-13 -6.73114226e-03 -3.47776929e-13] [ 4.63712402e-13 6.73114226e-03 -7.97889532e-13] [ 1.59902473e-14 -5.91440959e-13 -6.73114226e-03] [-7.57088836e-13 8.74023076e-14 6.73114226e-03] [-7.21112274e-03 2.38548330e-13 5.45962016e-13] [ 7.21112273e-03 -2.06809396e-13 3.25272735e-13] [-1.23560016e-14 -6.73114226e-03 -1.04259983e-13] [ 6.91564861e-14 6.73114226e-03 -3.44416736e-13] [ 3.77688332e-14 -4.83176672e-13 -6.73114226e-03] [-1.58902405e-13 -5.11841520e-13 6.73114226e-03] [ 1.75069457e-03 -1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 -1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 -1.61746247e-03 1.61746247e-03] [-1.75069457e-03 1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 -1.61746247e-03 -1.61746247e-03] [ 1.75069457e-03 -1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 -1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 -1.61746247e-03 1.61746247e-03] [-1.75069457e-03 1.61746247e-03 1.61746247e-03] [ 1.75069457e-03 1.61746247e-03 -1.61746247e-03] [-1.75069457e-03 -1.61746247e-03 -1.61746247e-03] [ 1.00305875e-12 -2.16771046e-13 -5.10286258e-13] [-9.18170921e-13 -2.64724758e-13 -3.17003770e-13] [ 1.65090164e-13 -3.49695140e-03 -3.49695140e-03] [ 8.39692899e-14 3.49695140e-03 -3.49695140e-03] [ 8.27803104e-13 -3.49695140e-03 3.49695140e-03] [ 1.12391346e-12 3.49695140e-03 3.49695140e-03] [-5.54003247e-04 -6.76014800e-13 2.03575437e-04] [-5.54003248e-04 -2.28875946e-13 -2.03575437e-04] [ 5.54003249e-04 1.48937980e-12 2.03575437e-04] [ 5.54003248e-04 -4.79777676e-13 -2.03575436e-04] [-5.54003249e-04 2.03575436e-04 2.92876834e-13] [ 5.54003248e-04 2.03575437e-04 1.38677264e-13] [-5.54003248e-04 -2.03575436e-04 1.60923358e-13] [ 5.54003247e-04 -2.03575435e-04 1.09634697e-12] [-1.52690794e-13 -3.49695140e-03 -3.49695140e-03] [-2.17052504e-13 3.49695140e-03 -3.49695140e-03] [ 1.63531948e-13 -3.49695140e-03 3.49695140e-03] [ 1.08298787e-14 3.49695141e-03 3.49695140e-03] [-5.54003247e-04 9.54164569e-14 2.03575435e-04] [-5.54003248e-04 -1.00170957e-13 -2.03575435e-04] [ 5.54003247e-04 2.76033536e-14 2.03575436e-04] [ 5.54003249e-04 -2.70008408e-13 -2.03575435e-04] [-5.54003248e-04 2.03575437e-04 2.14383577e-13] [ 5.54003248e-04 2.03575436e-04 1.39774694e-13] [-5.54003247e-04 -2.03575436e-04 -1.59766497e-12] [ 5.54003247e-04 -2.03575434e-04 3.70616298e-13]] Final stress: [ 2.04168511e-04 -4.23645436e-05 -4.23645436e-05 6.08504761e-16 7.96376449e-16 -1.50131093e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 8.90225417e-04 -1.19594872e-13 1.76643812e-12] [-8.90225425e-04 -1.94566585e-13 -4.03982403e-13] [ 4.87318519e-14 8.90225423e-04 1.48466048e-12] [ 3.19966276e-13 -8.90225420e-04 -5.74873482e-13] [-5.08244488e-13 -2.25180942e-12 -2.10948305e-03] [ 8.85458373e-13 3.83221233e-13 2.10948305e-03] [ 8.90225419e-04 1.20149073e-12 1.35837979e-13] [-8.90225422e-04 -6.41769624e-13 3.03336548e-13] [-7.44555459e-13 8.90225420e-04 8.94986777e-14] [ 8.38313793e-13 -8.90225419e-04 1.12429773e-12] [-4.10293327e-13 2.21128572e-12 -2.10948305e-03] [-1.76977356e-13 1.24651481e-12 2.10948305e-03] [ 3.79347931e-04 3.79347932e-04 1.11160308e-03] [-3.79347932e-04 -3.79347932e-04 1.11160309e-03] [-3.79347932e-04 3.79347931e-04 -1.11160309e-03] [ 3.79347933e-04 -3.79347932e-04 -1.11160308e-03] [ 3.79347930e-04 3.79347931e-04 -1.11160308e-03] [-3.79347933e-04 -3.79347933e-04 -1.11160308e-03] [ 3.79347932e-04 -3.79347931e-04 1.11160309e-03] [-3.79347929e-04 3.79347932e-04 1.11160309e-03] [ 3.79347931e-04 3.79347931e-04 1.11160308e-03] [-3.79347931e-04 -3.79347929e-04 1.11160309e-03] [-3.79347933e-04 3.79347935e-04 -1.11160309e-03] [ 3.79347930e-04 -3.79347929e-04 -1.11160308e-03] [ 3.79347932e-04 3.79347932e-04 -1.11160308e-03] [-3.79347933e-04 -3.79347931e-04 -1.11160309e-03] [ 3.79347928e-04 -3.79347929e-04 1.11160308e-03] [-3.79347932e-04 3.79347934e-04 1.11160309e-03] [ 7.84608489e-12 -5.53998514e-12 2.12790896e-12] [ 6.41881470e-12 1.19193329e-12 1.86116965e-12] [-1.26019195e-11 1.92704092e-03 -1.57204891e-03] [-1.15408030e-12 -1.92704091e-03 -1.57204890e-03] [-8.21242900e-12 1.92704093e-03 1.57204892e-03] [-1.50052887e-12 -1.92704091e-03 1.57204889e-03] [ 1.92704091e-03 5.40711920e-12 -1.57204889e-03] [ 1.92704090e-03 1.92449008e-12 1.57204889e-03] [-1.92704093e-03 -2.50931394e-12 -1.57204892e-03] [-1.92704091e-03 -4.11598360e-12 1.57204890e-03] [ 5.93987252e-05 5.93987339e-05 -3.43503004e-12] [-5.93987407e-05 5.93987135e-05 -5.63772293e-12] [ 5.93987294e-05 -5.93987333e-05 -1.95887230e-12] [-5.93987406e-05 -5.93987192e-05 -4.91209851e-12] [ 2.99904589e-12 1.92704090e-03 -1.57204889e-03] [ 5.68514246e-12 -1.92704090e-03 -1.57204889e-03] [ 1.15268741e-11 1.92704092e-03 1.57204891e-03] [ 1.16859222e-11 -1.92704092e-03 1.57204890e-03] [ 1.92704092e-03 -8.06353457e-12 -1.57204891e-03] [ 1.92704093e-03 -2.72616890e-12 1.57204891e-03] [-1.92704091e-03 -8.62277784e-12 -1.57204890e-03] [-1.92704091e-03 3.26637155e-13 1.57204890e-03] [ 5.93987359e-05 5.93987227e-05 1.08361704e-11] [-5.93987319e-05 5.93987281e-05 2.24685496e-12] [ 5.93987309e-05 -5.93987243e-05 5.04507186e-13] [-5.93987084e-05 -5.93987482e-05 -5.55034664e-12]] Final stress: [-3.07377596e-05 -3.07377595e-05 5.65828677e-05 -1.04071238e-15 5.35318508e-16 -4.30582279e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.68807943e-02 -5.12396809e-12 8.90503383e-12] [-5.68807943e-02 -4.00404709e-12 7.17861881e-12] [ 1.06444866e-11 -4.82261600e-02 8.07598433e-12] [ 7.86526400e-12 4.82261600e-02 7.75018938e-12] [ 6.94165775e-12 -5.66098991e-12 2.73847533e-03] [ 8.91273166e-12 -2.76223489e-12 -2.73847533e-03] [ 5.68807943e-02 -7.21759848e-12 -5.78519658e-12] [-5.68807943e-02 -6.37547740e-12 -6.73424087e-12] [-2.79557367e-12 -4.82261600e-02 9.73116591e-13] [-2.41764291e-12 4.82261600e-02 -4.14378202e-12] [ 7.39473153e-13 2.20237885e-13 2.73847532e-03] [ 2.66770590e-12 -4.17820868e-12 -2.73847532e-03] [ 6.62942774e-03 -6.48868073e-03 -9.24678791e-04] [-6.62942775e-03 6.48868074e-03 -9.24678800e-04] [-6.62942775e-03 -6.48868074e-03 9.24678800e-04] [ 6.62942774e-03 6.48868074e-03 9.24678801e-04] [ 6.62942775e-03 -6.48868074e-03 9.24678801e-04] [-6.62942774e-03 6.48868074e-03 9.24678803e-04] [ 6.62942774e-03 6.48868073e-03 -9.24678799e-04] [-6.62942775e-03 -6.48868073e-03 -9.24678802e-04] [ 6.62942773e-03 -6.48868073e-03 -9.24678809e-04] [-6.62942775e-03 6.48868074e-03 -9.24678808e-04] [-6.62942776e-03 -6.48868073e-03 9.24678792e-04] [ 6.62942773e-03 6.48868074e-03 9.24678795e-04] [ 6.62942773e-03 -6.48868073e-03 9.24678794e-04] [-6.62942775e-03 6.48868074e-03 9.24678788e-04] [ 6.62942773e-03 6.48868073e-03 -9.24678812e-04] [-6.62942775e-03 -6.48868073e-03 -9.24678811e-04] [ 1.45921608e-11 -1.46522239e-11 1.12839460e-11] [ 1.61122721e-12 -7.42006649e-12 -1.14768514e-11] [ 2.57072141e-12 4.67860613e-03 -2.23878164e-03] [ 3.37655598e-12 -4.67860612e-03 -2.23878164e-03] [ 1.55141525e-13 4.67860612e-03 2.23878164e-03] [-5.45036238e-13 -4.67860610e-03 2.23878163e-03] [-1.82698562e-03 -1.24980026e-11 5.21163554e-03] [-1.82698563e-03 -6.82802946e-12 -5.21163554e-03] [ 1.82698560e-03 -1.12219747e-11 5.21163550e-03] [ 1.82698564e-03 7.59661431e-13 -5.21163552e-03] [-7.92099572e-03 5.84319431e-03 -4.41480186e-12] [ 7.92099573e-03 5.84319430e-03 -1.00553021e-11] [-7.92099572e-03 -5.84319429e-03 1.22564302e-11] [ 7.92099572e-03 -5.84319429e-03 6.21396858e-12] [-1.50697597e-13 4.67860610e-03 -2.23878162e-03] [ 8.05563949e-13 -4.67860609e-03 -2.23878162e-03] [ 2.34885592e-12 4.67860612e-03 2.23878163e-03] [ 3.38535450e-12 -4.67860611e-03 2.23878163e-03] [-1.82698563e-03 -1.09095705e-11 5.21163553e-03] [-1.82698561e-03 -3.91553717e-12 -5.21163552e-03] [ 1.82698562e-03 -9.40076706e-12 5.21163553e-03] [ 1.82698562e-03 3.16050007e-12 -5.21163553e-03] [-7.92099571e-03 5.84319429e-03 7.02810395e-12] [ 7.92099572e-03 5.84319430e-03 2.79842774e-12] [-7.92099572e-03 -5.84319428e-03 1.62477723e-11] [ 7.92099572e-03 -5.84319430e-03 1.84940821e-12]] Final stress: [-4.69551909e-04 4.17803937e-04 -7.92228262e-06 4.36081770e-15 -1.44640160e-16 4.00669869e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.81427653e-02 -4.90008902e-12 6.34236240e-12] [ 4.81427653e-02 -3.08489345e-12 1.00773279e-11] [ 4.48987202e-12 5.67780245e-02 8.42479298e-12] [ 4.28218572e-12 -5.67780245e-02 1.00516540e-11] [ 8.94736629e-12 -3.45334698e-12 2.73377324e-03] [ 6.50562937e-12 -3.17634807e-13 -2.73377324e-03] [-4.81427653e-02 -1.97924706e-12 -5.25771054e-12] [ 4.81427653e-02 -1.91682304e-12 -3.33757813e-12] [-5.31727613e-12 5.67780245e-02 -1.82987093e-12] [-4.79632566e-12 -5.67780245e-02 -2.57178878e-12] [-1.44671905e-12 2.27740060e-12 2.73377323e-03] [-3.25587734e-12 2.33685146e-12 -2.73377323e-03] [-6.47694435e-03 6.61632254e-03 -9.21976990e-04] [ 6.47694436e-03 -6.61632255e-03 -9.21977000e-04] [ 6.47694436e-03 6.61632254e-03 9.21976998e-04] [-6.47694435e-03 -6.61632255e-03 9.21976997e-04] [-6.47694435e-03 6.61632254e-03 9.21976987e-04] [ 6.47694437e-03 -6.61632254e-03 9.21976993e-04] [-6.47694436e-03 -6.61632255e-03 -9.21976997e-04] [ 6.47694436e-03 6.61632254e-03 -9.21976994e-04] [-6.47694438e-03 6.61632254e-03 -9.21977013e-04] [ 6.47694435e-03 -6.61632255e-03 -9.21977005e-04] [ 6.47694435e-03 6.61632255e-03 9.21976986e-04] [-6.47694437e-03 -6.61632255e-03 9.21976986e-04] [-6.47694437e-03 6.61632254e-03 9.21976989e-04] [ 6.47694435e-03 -6.61632255e-03 9.21976980e-04] [-6.47694437e-03 -6.61632255e-03 -9.21977016e-04] [ 6.47694435e-03 6.61632255e-03 -9.21977011e-04] [ 3.17426085e-11 1.06470388e-12 2.60394761e-11] [-1.63234842e-11 -4.46248254e-12 -7.87899369e-12] [-8.77076189e-13 -1.83137220e-03 5.19860550e-03] [-4.97414436e-12 1.83137222e-03 5.19860552e-03] [-1.07299915e-11 -1.83137222e-03 -5.19860550e-03] [ 4.02736178e-12 1.83137223e-03 -5.19860550e-03] [ 4.66952419e-03 -1.28081989e-11 -2.23959098e-03] [ 4.66952416e-03 -1.07003330e-11 2.23959097e-03] [-4.66952418e-03 -1.97276449e-11 -2.23959098e-03] [-4.66952416e-03 -1.59862696e-11 2.23959099e-03] [ 5.83636802e-03 -7.91165254e-03 1.53501656e-11] [-5.83636803e-03 -7.91165257e-03 1.62559081e-11] [ 5.83636801e-03 7.91165255e-03 1.02030068e-11] [-5.83636803e-03 7.91165257e-03 1.14625930e-11] [ 1.87003191e-12 -1.83137222e-03 5.19860551e-03] [ 9.93861677e-13 1.83137223e-03 5.19860551e-03] [-3.83852629e-12 -1.83137221e-03 -5.19860550e-03] [-8.15269423e-12 1.83137224e-03 -5.19860552e-03] [ 4.66952417e-03 -4.64368152e-12 -2.23959099e-03] [ 4.66952416e-03 -5.32223311e-12 2.23959098e-03] [-4.66952415e-03 5.70083824e-12 -2.23959096e-03] [-4.66952414e-03 -1.19152071e-11 2.23959096e-03] [ 5.83636804e-03 -7.91165257e-03 2.20465766e-12] [-5.83636804e-03 -7.91165257e-03 6.24645856e-12] [ 5.83636804e-03 7.91165259e-03 3.89275480e-12] [-5.83636803e-03 7.91165256e-03 9.09901885e-12]] Final stress: [ 4.17235527e-04 -4.68723689e-04 -7.84965620e-06 -5.22034601e-15 -2.29761726e-15 2.71990002e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.81288703e-04 -3.56938003e-13 -1.48360924e-13] [ 2.81288705e-04 3.07975867e-13 1.37445610e-13] [ 2.48301379e-13 -2.81288703e-04 1.65603642e-13] [-2.91516811e-13 2.81288705e-04 -2.45359288e-14] [ 5.31909586e-15 4.65248499e-14 5.09290491e-04] [ 1.32144296e-13 1.70363723e-13 -5.09290492e-04] [-2.81288704e-04 4.72652299e-13 3.44058875e-13] [ 2.81288705e-04 -3.17752335e-13 -3.36713375e-13] [-4.01437564e-13 -2.81288704e-04 1.70295564e-16] [ 5.30331855e-13 2.81288704e-04 1.67794865e-13] [-8.02439712e-15 1.89083258e-13 5.09290492e-04] [ 1.44978213e-13 -1.70665544e-13 -5.09290491e-04] [-1.17423984e-04 -1.17423984e-04 -3.33986657e-04] [ 1.17423985e-04 1.17423984e-04 -3.33986657e-04] [ 1.17423985e-04 -1.17423985e-04 3.33986657e-04] [-1.17423984e-04 1.17423985e-04 3.33986657e-04] [-1.17423985e-04 -1.17423985e-04 3.33986657e-04] [ 1.17423985e-04 1.17423984e-04 3.33986657e-04] [-1.17423984e-04 1.17423984e-04 -3.33986657e-04] [ 1.17423984e-04 -1.17423984e-04 -3.33986657e-04] [-1.17423984e-04 -1.17423985e-04 -3.33986657e-04] [ 1.17423985e-04 1.17423985e-04 -3.33986657e-04] [ 1.17423984e-04 -1.17423984e-04 3.33986657e-04] [-1.17423984e-04 1.17423984e-04 3.33986657e-04] [-1.17423984e-04 -1.17423984e-04 3.33986656e-04] [ 1.17423984e-04 1.17423985e-04 3.33986657e-04] [-1.17423985e-04 1.17423985e-04 -3.33986658e-04] [ 1.17423985e-04 -1.17423984e-04 -3.33986657e-04] [-4.21274127e-13 -1.08046905e-12 1.39133149e-12] [-1.07252315e-12 -9.56814087e-14 -4.40839358e-13] [-2.56061838e-12 -3.96106843e-04 1.29450790e-04] [ 3.82208154e-13 3.96106846e-04 1.29450794e-04] [-8.77874162e-14 -3.96106841e-04 -1.29450788e-04] [ 2.83736576e-12 3.96106846e-04 -1.29450794e-04] [-3.96106844e-04 2.99316127e-12 1.29450791e-04] [-3.96106847e-04 3.14385844e-12 -1.29450793e-04] [ 3.96106846e-04 -8.34280561e-14 1.29450794e-04] [ 3.96106850e-04 -1.19817350e-13 -1.29450797e-04] [-3.03023496e-05 -3.03023518e-05 1.31894495e-13] [ 3.03023520e-05 -3.03023492e-05 -1.34846821e-12] [-3.03023461e-05 3.03023549e-05 5.30858343e-13] [ 3.03023475e-05 3.03023527e-05 -7.31774016e-13] [-1.53102227e-12 -3.96106850e-04 1.29450797e-04] [-2.83387289e-12 3.96106847e-04 1.29450794e-04] [-1.12106461e-12 -3.96106847e-04 -1.29450794e-04] [-2.14270875e-12 3.96106844e-04 -1.29450791e-04] [-3.96106845e-04 -3.35078539e-12 1.29450792e-04] [-3.96106844e-04 -2.28154193e-12 -1.29450791e-04] [ 3.96106842e-04 -2.28719431e-12 1.29450789e-04] [ 3.96106845e-04 -1.29127568e-12 -1.29450793e-04] [-3.03023520e-05 -3.03023487e-05 1.15977101e-12] [ 3.03023470e-05 -3.03023538e-05 1.22079892e-12] [-3.03023531e-05 3.03023477e-05 5.53052406e-13] [ 3.03023537e-05 3.03023471e-05 4.19236260e-13]] Final stress: [ 5.01158023e-06 5.01158023e-06 -2.17580567e-05 1.57945225e-16 2.49387197e-16 -1.06405204e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.90059755e-04 2.03317875e-12 5.32330690e-13] [-9.90059764e-04 -1.81041293e-12 2.16135443e-12] [-7.47586888e-13 -4.32438023e-03 4.26506400e-12] [ 3.68902131e-12 4.32438024e-03 -4.92633712e-13] [ 4.52609781e-12 -2.49954311e-12 9.90059755e-04] [ 7.50399742e-13 4.60437244e-13 -9.90059764e-04] [ 9.90059766e-04 -1.07985539e-12 7.85369161e-14] [-9.90059757e-04 4.15788931e-12 -4.40355223e-12] [ 1.18589426e-12 -4.32438024e-03 -2.17286876e-12] [-4.30871614e-12 4.32438025e-03 2.33067306e-12] [-3.30460182e-12 4.05883990e-12 9.90059760e-04] [ 7.04309874e-13 -4.35140440e-13 -9.90059763e-04] [ 9.41414543e-04 2.19488582e-03 9.41414543e-04] [-9.41414542e-04 -2.19488581e-03 9.41414540e-04] [-9.41414535e-04 2.19488581e-03 -9.41414540e-04] [ 9.41414542e-04 -2.19488582e-03 -9.41414543e-04] [ 9.41414545e-04 2.19488581e-03 -9.41414544e-04] [-9.41414539e-04 -2.19488581e-03 -9.41414539e-04] [ 9.41414545e-04 -2.19488582e-03 9.41414546e-04] [-9.41414537e-04 2.19488582e-03 9.41414535e-04] [ 9.41414534e-04 2.19488582e-03 9.41414533e-04] [-9.41414535e-04 -2.19488582e-03 9.41414541e-04] [-9.41414546e-04 2.19488583e-03 -9.41414543e-04] [ 9.41414539e-04 -2.19488581e-03 -9.41414542e-04] [ 9.41414537e-04 2.19488582e-03 -9.41414540e-04] [-9.41414543e-04 -2.19488582e-03 -9.41414545e-04] [ 9.41414538e-04 -2.19488581e-03 9.41414530e-04] [-9.41414541e-04 2.19488582e-03 9.41414542e-04] [ 1.69800285e-11 -8.17257373e-12 1.57212299e-11] [-1.58382587e-11 1.48150902e-12 -8.34508455e-14] [-2.47968313e-12 -1.57359929e-03 3.85793105e-03] [-2.36722118e-11 1.57359927e-03 3.85793104e-03] [ 9.99238366e-12 -1.57359928e-03 -3.85793104e-03] [-8.27530579e-12 1.57359928e-03 -3.85793104e-03] [ 9.06430694e-04 -1.37566625e-11 9.06430625e-04] [ 9.06430663e-04 -2.51342107e-11 -9.06430646e-04] [-9.06430678e-04 7.59364273e-12 9.06430636e-04] [-9.06430651e-04 -9.68247184e-12 -9.06430656e-04] [ 3.85793099e-03 -1.57359923e-03 -1.96853644e-12] [-3.85793101e-03 -1.57359926e-03 -1.37118927e-11] [ 3.85793101e-03 1.57359924e-03 1.62715553e-11] [-3.85793101e-03 1.57359925e-03 -1.75942247e-12] [ 2.15588398e-13 -1.57359925e-03 3.85793101e-03] [ 7.36078169e-12 1.57359926e-03 3.85793103e-03] [-1.03715231e-11 -1.57359924e-03 -3.85793100e-03] [ 7.01195005e-12 1.57359923e-03 -3.85793100e-03] [ 9.06430642e-04 -2.81748869e-12 9.06430662e-04] [ 9.06430643e-04 1.00907024e-11 -9.06430658e-04] [-9.06430638e-04 -1.66139632e-11 9.06430670e-04] [-9.06430613e-04 -5.37432512e-12 -9.06430692e-04] [ 3.85793103e-03 -1.57359927e-03 8.23112003e-12] [-3.85793103e-03 -1.57359926e-03 1.44576665e-11] [ 3.85793104e-03 1.57359928e-03 -1.62808957e-12] [-3.85793106e-03 1.57359930e-03 5.10340251e-12]] Final stress: [-8.10578681e-05 7.42273002e-05 -8.10578681e-05 1.40645794e-15 3.77549172e-15 5.48618347e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.68366463e-02 -4.34481010e-12 7.26441910e-13] [-5.68366463e-02 -5.01970687e-12 -3.32733840e-13] [ 8.30685650e-12 2.73649719e-03 -3.03176755e-13] [ 1.25601474e-11 -2.73649718e-03 -1.21763710e-13] [ 1.07428576e-11 -3.61117039e-12 -4.81901505e-02] [ 8.05008837e-12 -6.00394734e-12 4.81901505e-02] [ 5.68366463e-02 -6.44209122e-12 2.30740196e-13] [-5.68366463e-02 -3.16392312e-12 1.01017039e-12] [ 4.76932079e-12 2.73649720e-03 3.54088483e-12] [ 5.62830164e-13 -2.73649719e-03 -2.74070380e-12] [ 3.11182070e-13 -1.80205634e-12 -4.81901505e-02] [ 4.75295150e-13 6.74257162e-13 4.81901505e-02] [ 6.62416495e-03 -9.23513586e-04 -6.48407804e-03] [-6.62416495e-03 9.23513587e-04 -6.48407805e-03] [-6.62416494e-03 -9.23513592e-04 6.48407805e-03] [ 6.62416494e-03 9.23513584e-04 6.48407805e-03] [ 6.62416494e-03 -9.23513587e-04 6.48407804e-03] [-6.62416494e-03 9.23513594e-04 6.48407804e-03] [ 6.62416495e-03 9.23513578e-04 -6.48407805e-03] [-6.62416494e-03 -9.23513585e-04 -6.48407805e-03] [ 6.62416493e-03 -9.23513576e-04 -6.48407806e-03] [-6.62416495e-03 9.23513592e-04 -6.48407806e-03] [-6.62416496e-03 -9.23513580e-04 6.48407804e-03] [ 6.62416493e-03 9.23513585e-04 6.48407804e-03] [ 6.62416493e-03 -9.23513577e-04 6.48407804e-03] [-6.62416495e-03 9.23513586e-04 6.48407804e-03] [ 6.62416493e-03 9.23513586e-04 -6.48407806e-03] [-6.62416495e-03 -9.23513583e-04 -6.48407806e-03] [ 4.44172477e-12 -1.47020729e-11 2.34461617e-11] [-1.02285884e-11 -1.69829942e-12 -1.76795476e-11] [-5.40179013e-12 -2.24453628e-03 4.68083991e-03] [-9.21433069e-14 2.24453629e-03 4.68083992e-03] [ 6.96804593e-12 -2.24453628e-03 -4.68083990e-03] [ 6.45910929e-12 2.24453631e-03 -4.68083992e-03] [-7.92901911e-03 -1.36272105e-11 5.85220509e-03] [-7.92901911e-03 1.27305458e-12 -5.85220507e-03] [ 7.92901911e-03 -1.64759786e-11 5.85220508e-03] [ 7.92901912e-03 1.85732506e-12 -5.85220507e-03] [-1.83569466e-03 5.21173626e-03 1.92623695e-11] [ 1.83569467e-03 5.21173626e-03 1.70352968e-12] [-1.83569463e-03 -5.21173623e-03 1.56570937e-13] [ 1.83569464e-03 -5.21173624e-03 -1.95638991e-12] [-1.15765917e-11 -2.24453631e-03 4.68083995e-03] [-1.97067015e-12 2.24453629e-03 4.68083992e-03] [-1.63066956e-12 -2.24453630e-03 -4.68083993e-03] [-6.91145882e-12 2.24453632e-03 -4.68083993e-03] [-7.92901911e-03 -7.88583745e-12 5.85220507e-03] [-7.92901909e-03 -5.92328313e-12 -5.85220505e-03] [ 7.92901909e-03 -1.32937363e-11 5.85220506e-03] [ 7.92901911e-03 -1.59296383e-11 -5.85220506e-03] [-1.83569466e-03 5.21173625e-03 -1.23585589e-12] [ 1.83569465e-03 5.21173625e-03 -4.28424690e-12] [-1.83569466e-03 -5.21173624e-03 -1.62809933e-12] [ 1.83569466e-03 -5.21173626e-03 2.84948844e-12]] Final stress: [-4.69161285e-04 -7.89033672e-06 4.17529652e-04 2.04491261e-15 -8.31265288e-17 1.00416847e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.81427625e-02 -4.91295503e-12 3.17979323e-12] [ 4.81427625e-02 -4.17160750e-12 6.80727696e-12] [ 3.36334129e-12 2.73384192e-03 5.18586389e-12] [ 5.21252486e-12 -2.73384192e-03 5.23722732e-12] [ 5.30699139e-12 -5.46253190e-12 5.67783196e-02] [ 5.92087490e-12 -3.04944958e-12 -5.67783196e-02] [-4.81427625e-02 -5.55180207e-12 -1.02550426e-12] [ 4.81427625e-02 -1.90929174e-12 1.60180802e-12] [-2.19677098e-12 2.73384192e-03 1.71880347e-12] [-2.58173561e-12 -2.73384192e-03 2.71940106e-12] [-1.16070348e-13 -1.70573155e-13 5.67783196e-02] [-2.82538055e-12 -2.39110915e-13 -5.67783196e-02] [-6.47755800e-03 -9.21979239e-04 6.61684537e-03] [ 6.47755800e-03 9.21979246e-04 6.61684537e-03] [ 6.47755801e-03 -9.21979249e-04 -6.61684538e-03] [-6.47755800e-03 9.21979245e-04 -6.61684539e-03] [-6.47755800e-03 -9.21979247e-04 -6.61684538e-03] [ 6.47755800e-03 9.21979243e-04 -6.61684539e-03] [-6.47755800e-03 9.21979239e-04 6.61684537e-03] [ 6.47755801e-03 -9.21979248e-04 6.61684537e-03] [-6.47755802e-03 -9.21979239e-04 6.61684536e-03] [ 6.47755800e-03 9.21979241e-04 6.61684536e-03] [ 6.47755799e-03 -9.21979236e-04 -6.61684538e-03] [-6.47755801e-03 9.21979244e-04 -6.61684537e-03] [-6.47755802e-03 -9.21979238e-04 -6.61684538e-03] [ 6.47755800e-03 9.21979242e-04 -6.61684539e-03] [-6.47755802e-03 9.21979243e-04 6.61684536e-03] [ 6.47755800e-03 -9.21979239e-04 6.61684536e-03] [ 2.41241194e-11 -1.82051596e-12 1.89634419e-11] [-1.01807625e-11 1.49443508e-11 7.57727542e-13] [ 7.84516896e-12 5.20614452e-03 -1.84033718e-03] [ 1.11893168e-11 -5.20614451e-03 -1.84033718e-03] [ 7.44061410e-12 5.20614452e-03 1.84033720e-03] [-7.10016768e-12 -5.20614448e-03 1.84033717e-03] [ 5.85210475e-03 -1.43923762e-11 -7.92751962e-03] [ 5.85210475e-03 -1.32363599e-11 7.92751963e-03] [-5.85210474e-03 -1.07165544e-11 -7.92751962e-03] [-5.85210473e-03 -1.07670869e-11 7.92751963e-03] [ 4.67762203e-03 -2.24670647e-03 1.39090961e-11] [-4.67762202e-03 -2.24670648e-03 -2.66167297e-13] [ 4.67762203e-03 2.24670648e-03 -2.62101452e-12] [-4.67762204e-03 2.24670649e-03 7.67071129e-12] [-5.18254840e-12 5.20614452e-03 -1.84033720e-03] [-1.00526575e-12 -5.20614452e-03 -1.84033720e-03] [-9.31318044e-12 5.20614452e-03 1.84033720e-03] [-1.49898050e-11 -5.20614450e-03 1.84033720e-03] [ 5.85210472e-03 -1.51258107e-11 -7.92751961e-03] [ 5.85210472e-03 -1.08596762e-11 7.92751962e-03] [-5.85210471e-03 -1.62432173e-11 -7.92751961e-03] [-5.85210470e-03 -9.15985170e-12 7.92751961e-03] [ 4.67762206e-03 -2.24670651e-03 1.26947409e-11] [-4.67762206e-03 -2.24670650e-03 3.16472720e-12] [ 4.67762205e-03 2.24670651e-03 1.44033032e-12] [-4.67762207e-03 2.24670651e-03 -3.77803518e-12]] Final stress: [ 4.17197348e-04 -7.84889439e-06 -4.68680059e-04 -4.68002357e-15 -2.82463945e-15 -5.96349717e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.35833793e-04 -1.20214168e-13 -5.33982580e-14] [ 2.35833795e-04 -4.19109192e-15 -1.08246745e-14] [ 8.67183929e-14 7.20388438e-04 5.24447239e-13] [-1.42108547e-14 -7.20388438e-04 1.25233157e-13] [ 1.34977966e-13 1.56704510e-13 -2.35833794e-04] [ 8.13238366e-14 4.41702230e-13 2.35833794e-04] [-2.35833794e-04 -1.69061813e-14 3.95873181e-14] [ 2.35833794e-04 3.21598650e-13 -4.00836563e-14] [-4.08974070e-14 7.20388440e-04 -1.08020248e-13] [ 2.65009369e-14 -7.20388437e-04 -1.94993384e-14] [-1.97227217e-13 -1.95254741e-13 -2.35833795e-04] [ 1.50309019e-13 -8.26601254e-14 2.35833793e-04] [-1.54380804e-04 -3.97115292e-04 -1.54380804e-04] [ 1.54380804e-04 3.97115293e-04 -1.54380804e-04] [ 1.54380803e-04 -3.97115292e-04 1.54380803e-04] [-1.54380804e-04 3.97115293e-04 1.54380804e-04] [-1.54380803e-04 -3.97115292e-04 1.54380804e-04] [ 1.54380804e-04 3.97115292e-04 1.54380804e-04] [-1.54380804e-04 3.97115293e-04 -1.54380804e-04] [ 1.54380803e-04 -3.97115292e-04 -1.54380803e-04] [-1.54380804e-04 -3.97115292e-04 -1.54380804e-04] [ 1.54380804e-04 3.97115293e-04 -1.54380804e-04] [ 1.54380804e-04 -3.97115293e-04 1.54380803e-04] [-1.54380803e-04 3.97115293e-04 1.54380803e-04] [-1.54380804e-04 -3.97115293e-04 1.54380803e-04] [ 1.54380803e-04 3.97115293e-04 1.54380803e-04] [-1.54380803e-04 3.97115293e-04 -1.54380804e-04] [ 1.54380804e-04 -3.97115293e-04 -1.54380804e-04] [-1.83170146e-12 -1.60871316e-13 1.52011737e-12] [ 6.58403453e-13 -2.34458318e-12 2.05962965e-12] [ 1.37767575e-12 2.72904658e-04 -6.48479605e-04] [ 1.41657519e-14 -2.72904663e-04 -6.48479609e-04] [ 9.91606103e-13 2.72904664e-04 6.48479611e-04] [-6.99626121e-13 -2.72904663e-04 6.48479609e-04] [-8.94439197e-05 -3.65885100e-12 -8.94439287e-05] [-8.94439184e-05 -2.77541878e-12 8.94439306e-05] [ 8.94439228e-05 -2.02566436e-12 -8.94439243e-05] [ 8.94439228e-05 -2.27706742e-12 8.94439252e-05] [-6.48479615e-04 2.72904669e-04 1.74993353e-12] [ 6.48479616e-04 2.72904669e-04 1.36370776e-12] [-6.48479619e-04 -2.72904672e-04 1.59428720e-12] [ 6.48479619e-04 -2.72904672e-04 9.11052483e-13] [-1.53311478e-12 2.72904672e-04 -6.48479620e-04] [-1.87015247e-12 -2.72904669e-04 -6.48479615e-04] [-1.95594409e-12 2.72904671e-04 6.48479619e-04] [-1.66546638e-12 -2.72904666e-04 6.48479613e-04] [-8.94439267e-05 -3.43301959e-13 -8.94439205e-05] [-8.94439303e-05 1.78821931e-12 8.94439176e-05] [ 8.94439264e-05 -4.01356899e-13 -8.94439204e-05] [ 8.94439297e-05 1.63010577e-12 8.94439175e-05] [-6.48479612e-04 2.72904664e-04 8.51103680e-13] [ 6.48479611e-04 2.72904662e-04 -5.33524264e-13] [-6.48479610e-04 -2.72904664e-04 -1.51943916e-12] [ 6.48479606e-04 -2.72904659e-04 -1.79798364e-12]] Final stress: [ 8.00854927e-06 -2.29079145e-05 8.00854926e-06 -2.56037522e-16 3.82393702e-17 -6.76670594e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.37781545e-04 -8.85541640e-14 -5.14432247e-14] [-4.37781546e-04 2.43555176e-13 2.80692136e-13] [ 1.87523174e-13 1.11596343e-05 -8.83087921e-05] [ 9.98090499e-14 -1.11596349e-05 8.83087922e-05] [ 1.22515279e-13 -8.83087923e-05 1.11596337e-05] [-2.65731881e-13 8.83087921e-05 -1.11596348e-05] [ 4.37781546e-04 2.29571136e-13 1.81748896e-13] [-4.37781545e-04 -6.06372591e-14 -2.58389022e-13] [-1.14234577e-13 1.11596346e-05 -8.83087920e-05] [ 4.11476409e-15 -1.11596338e-05 8.83087921e-05] [-8.57252637e-14 -8.83087921e-05 1.11596340e-05] [ 2.66192450e-13 8.83087921e-05 -1.11596347e-05] [ 2.02814703e-04 1.39091717e-04 1.39091717e-04] [ 3.19373751e-04 -1.45706887e-04 1.45706887e-04] [ 3.19373751e-04 1.45706887e-04 -1.45706887e-04] [ 2.02814704e-04 -1.39091717e-04 -1.39091717e-04] [-3.19373751e-04 1.45706887e-04 -1.45706888e-04] [-2.02814703e-04 -1.39091717e-04 -1.39091716e-04] [-3.19373751e-04 -1.45706887e-04 1.45706887e-04] [-2.02814704e-04 1.39091717e-04 1.39091717e-04] [ 2.02814703e-04 1.39091716e-04 1.39091716e-04] [ 3.19373751e-04 -1.45706887e-04 1.45706887e-04] [ 3.19373751e-04 1.45706888e-04 -1.45706887e-04] [ 2.02814703e-04 -1.39091717e-04 -1.39091717e-04] [-3.19373751e-04 1.45706887e-04 -1.45706887e-04] [-2.02814704e-04 -1.39091717e-04 -1.39091717e-04] [-3.19373751e-04 -1.45706887e-04 1.45706887e-04] [-2.02814703e-04 1.39091716e-04 1.39091717e-04] [ 3.78669318e-13 1.97480921e-13 1.04868891e-12] [-8.62504946e-13 -6.12676813e-13 4.55106699e-13] [-1.75992554e-12 5.74882851e-04 5.74882855e-04] [-8.91939300e-13 1.16808787e-04 -1.16808785e-04] [ 6.51981941e-13 -1.16808788e-04 1.16808784e-04] [ 8.89848958e-13 -5.74882852e-04 -5.74882854e-04] [ 5.61560382e-05 3.12641845e-04 5.41044486e-05] [ 5.61560354e-05 -3.12641846e-04 -5.41044509e-05] [-5.61560368e-05 3.12641845e-04 5.41044497e-05] [-5.61560353e-05 -3.12641847e-04 -5.41044508e-05] [ 5.61560331e-05 5.41044533e-05 3.12641847e-04] [-5.61560341e-05 5.41044523e-05 3.12641845e-04] [ 5.61560320e-05 -5.41044548e-05 -3.12641845e-04] [-5.61560344e-05 -5.41044520e-05 -3.12641847e-04] [ 1.08389079e-12 5.74882854e-04 5.74882852e-04] [ 6.39390450e-13 1.16808786e-04 -1.16808787e-04] [ 5.53764066e-13 -1.16808783e-04 1.16808789e-04] [-5.80807104e-13 -5.74882855e-04 -5.74882851e-04] [ 5.61560332e-05 3.12641846e-04 5.41044532e-05] [ 5.61560350e-05 -3.12641846e-04 -5.41044511e-05] [-5.61560334e-05 3.12641847e-04 5.41044531e-05] [-5.61560314e-05 -3.12641845e-04 -5.41044550e-05] [ 5.61560351e-05 5.41044511e-05 3.12641846e-04] [-5.61560361e-05 5.41044503e-05 3.12641847e-04] [ 5.61560370e-05 -5.41044499e-05 -3.12641846e-04] [-5.61560375e-05 -5.41044489e-05 -3.12641844e-04]] Final stress: [-1.48601337e-05 7.76061741e-06 7.76061741e-06 6.02703907e-06 2.22775698e-16 -2.59350812e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.39589836e-04 -4.75652503e-14 3.79982504e-14] [-4.39589836e-04 6.39488462e-14 1.41719969e-13] [-8.71767936e-14 1.73675644e-05 8.95251448e-05] [-1.70613523e-13 -1.73675635e-05 -8.95251445e-05] [-1.07832146e-13 8.95251445e-05 1.73675639e-05] [-2.95041769e-14 -8.95251446e-05 -1.73675640e-05] [ 4.39589836e-04 2.71961273e-15 2.43080512e-14] [-4.39589836e-04 4.64225013e-14 -1.52085605e-13] [-4.97067665e-14 1.73675639e-05 8.95251446e-05] [ 8.68125016e-14 -1.73675641e-05 -8.95251447e-05] [-1.91250661e-13 8.95251445e-05 1.73675634e-05] [-2.82196141e-14 -8.95251444e-05 -1.73675642e-05] [-3.21545886e-04 1.42816666e-04 1.42816665e-04] [-2.02708748e-04 -1.41074734e-04 1.41074735e-04] [-2.02708748e-04 1.41074735e-04 -1.41074734e-04] [-3.21545886e-04 -1.42816666e-04 -1.42816665e-04] [ 2.02708748e-04 1.41074735e-04 -1.41074734e-04] [ 3.21545886e-04 -1.42816666e-04 -1.42816666e-04] [ 2.02708748e-04 -1.41074734e-04 1.41074734e-04] [ 3.21545886e-04 1.42816666e-04 1.42816666e-04] [-3.21545885e-04 1.42816666e-04 1.42816665e-04] [-2.02708748e-04 -1.41074734e-04 1.41074734e-04] [-2.02708748e-04 1.41074734e-04 -1.41074734e-04] [-3.21545886e-04 -1.42816666e-04 -1.42816666e-04] [ 2.02708748e-04 1.41074735e-04 -1.41074735e-04] [ 3.21545886e-04 -1.42816665e-04 -1.42816665e-04] [ 2.02708748e-04 -1.41074734e-04 1.41074734e-04] [ 3.21545886e-04 1.42816666e-04 1.42816665e-04] [-1.55458979e-13 -1.08135723e-12 1.24900090e-15] [ 5.47377681e-13 -7.76968189e-14 3.88092131e-13] [ 7.72271136e-13 -1.19970879e-04 -1.19970881e-04] [ 8.29048635e-13 -5.77112682e-04 5.77112679e-04] [ 8.02932373e-13 5.77112681e-04 -5.77112681e-04] [ 1.04431568e-12 1.19970880e-04 1.19970880e-04] [ 5.65306865e-05 -3.06356753e-04 5.16574958e-05] [ 5.65306871e-05 3.06356753e-04 -5.16574953e-05] [-5.65306861e-05 -3.06356753e-04 5.16574963e-05] [-5.65306850e-05 3.06356753e-04 -5.16574973e-05] [ 5.65306861e-05 5.16574959e-05 -3.06356753e-04] [-5.65306844e-05 5.16574978e-05 -3.06356753e-04] [ 5.65306860e-05 -5.16574963e-05 3.06356753e-04] [-5.65306851e-05 -5.16574974e-05 3.06356753e-04] [-6.39534432e-13 -1.19970880e-04 -1.19970880e-04] [-1.02886536e-12 -5.77112681e-04 5.77112680e-04] [-3.03021930e-13 5.77112682e-04 -5.77112680e-04] [-5.81377828e-13 1.19970879e-04 1.19970880e-04] [ 5.65306848e-05 -3.06356754e-04 5.16574979e-05] [ 5.65306861e-05 3.06356753e-04 -5.16574970e-05] [-5.65306860e-05 -3.06356753e-04 5.16574959e-05] [-5.65306874e-05 3.06356753e-04 -5.16574951e-05] [ 5.65306848e-05 5.16574976e-05 -3.06356752e-04] [-5.65306859e-05 5.16574963e-05 -3.06356753e-04] [ 5.65306851e-05 -5.16574972e-05 3.06356753e-04] [-5.65306862e-05 -5.16574961e-05 3.06356753e-04]] Final stress: [-1.48381702e-05 7.77794611e-06 7.77794612e-06 -6.01001038e-06 -2.82625885e-16 -2.54363297e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.29737682e-04 -6.06142740e-14 1.78846955e-13] [ 4.29737682e-04 5.09037257e-14 -1.11022302e-15] [-1.85376887e-14 2.15318570e-05 -9.63836257e-05] [ 1.24344979e-13 -2.15318554e-05 9.63836260e-05] [-8.33543304e-14 -9.63836261e-05 2.15318563e-05] [ 1.92346139e-14 9.63836261e-05 -2.15318564e-05] [-4.29737683e-04 2.82517065e-14 -8.05823665e-14] [ 4.29737683e-04 -1.21664831e-14 6.28345601e-14] [-2.12867918e-14 2.15318570e-05 -9.63836261e-05] [ 1.07860769e-13 -2.15318559e-05 9.63836260e-05] [ 2.19628135e-13 -9.63836259e-05 2.15318568e-05] [-3.73611732e-14 9.63836260e-05 -2.15318562e-05] [ 2.87796610e-04 -1.64742335e-04 -1.64742335e-04] [ 1.97919910e-04 1.36888490e-04 -1.36888489e-04] [ 1.97919909e-04 -1.36888490e-04 1.36888490e-04] [ 2.87796609e-04 1.64742335e-04 1.64742335e-04] [-1.97919910e-04 -1.36888490e-04 1.36888490e-04] [-2.87796609e-04 1.64742335e-04 1.64742335e-04] [-1.97919910e-04 1.36888490e-04 -1.36888490e-04] [-2.87796609e-04 -1.64742335e-04 -1.64742335e-04] [ 2.87796610e-04 -1.64742335e-04 -1.64742335e-04] [ 1.97919910e-04 1.36888490e-04 -1.36888490e-04] [ 1.97919909e-04 -1.36888489e-04 1.36888490e-04] [ 2.87796610e-04 1.64742335e-04 1.64742335e-04] [-1.97919909e-04 -1.36888489e-04 1.36888490e-04] [-2.87796609e-04 1.64742335e-04 1.64742335e-04] [-1.97919910e-04 1.36888490e-04 -1.36888490e-04] [-2.87796610e-04 -1.64742335e-04 -1.64742335e-04] [-2.87325719e-13 -1.65759073e-12 2.39253062e-14] [ 5.51461220e-13 -2.65256906e-13 -5.31696194e-13] [-2.08721929e-14 8.93522707e-05 8.93522728e-05] [ 3.40389175e-13 5.68408166e-04 -5.68408164e-04] [-8.03180439e-13 -5.68408166e-04 5.68408164e-04] [-5.62730418e-13 -8.93522699e-05 -8.93522740e-05] [-6.78423943e-05 3.46924816e-04 -7.26746244e-05] [-6.78423946e-05 -3.46924818e-04 7.26746243e-05] [ 6.78423931e-05 3.46924816e-04 -7.26746262e-05] [ 6.78423941e-05 -3.46924818e-04 7.26746248e-05] [-6.78423970e-05 -7.26746224e-05 3.46924816e-04] [ 6.78423964e-05 -7.26746227e-05 3.46924816e-04] [-6.78423971e-05 7.26746219e-05 -3.46924818e-04] [ 6.78423963e-05 7.26746222e-05 -3.46924817e-04] [ 1.53310524e-14 8.93522725e-05 8.93522702e-05] [ 1.08285776e-14 5.68408165e-04 -5.68408166e-04] [ 7.59643216e-13 -5.68408163e-04 5.68408167e-04] [ 5.37295902e-13 -8.93522733e-05 -8.93522703e-05] [-6.78423967e-05 3.46924816e-04 -7.26746223e-05] [-6.78423961e-05 -3.46924817e-04 7.26746219e-05] [ 6.78423974e-05 3.46924816e-04 -7.26746214e-05] [ 6.78423960e-05 -3.46924817e-04 7.26746225e-05] [-6.78423939e-05 -7.26746252e-05 3.46924818e-04] [ 6.78423949e-05 -7.26746240e-05 3.46924817e-04] [-6.78423930e-05 7.26746258e-05 -3.46924816e-04] [ 6.78423939e-05 7.26746242e-05 -3.46924817e-04]] Final stress: [ 1.48399037e-05 -7.65418170e-06 -7.65418170e-06 5.95539650e-06 3.55786972e-16 -4.53877773e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.27799824e-04 -9.04146549e-14 -3.78586051e-14] [ 4.27799824e-04 7.52453655e-14 4.90163465e-14] [ 3.64690916e-14 3.09146673e-05 1.08675303e-04] [ 5.32629496e-14 -3.09146665e-05 -1.08675303e-04] [-9.39734401e-14 1.08675303e-04 3.09146671e-05] [-1.76469950e-13 -1.08675303e-04 -3.09146671e-05] [-4.27799824e-04 1.17876629e-13 -2.61332657e-14] [ 4.27799824e-04 -6.12066821e-14 9.46690846e-14] [ 2.42284491e-14 3.09146664e-05 1.08675303e-04] [ 5.37677541e-15 -3.09146671e-05 -1.08675303e-04] [-2.89730479e-13 1.08675303e-04 3.09146673e-05] [-1.35312334e-13 -1.08675303e-04 -3.09146666e-05] [-1.90616521e-04 -1.39145344e-04 -1.39145344e-04] [-2.77904511e-04 1.64536045e-04 -1.64536045e-04] [-2.77904511e-04 -1.64536045e-04 1.64536045e-04] [-1.90616520e-04 1.39145344e-04 1.39145344e-04] [ 2.77904511e-04 -1.64536045e-04 1.64536045e-04] [ 1.90616520e-04 1.39145344e-04 1.39145344e-04] [ 2.77904511e-04 1.64536045e-04 -1.64536045e-04] [ 1.90616521e-04 -1.39145344e-04 -1.39145344e-04] [-1.90616520e-04 -1.39145344e-04 -1.39145343e-04] [-2.77904511e-04 1.64536045e-04 -1.64536045e-04] [-2.77904511e-04 -1.64536045e-04 1.64536045e-04] [-1.90616521e-04 1.39145344e-04 1.39145344e-04] [ 2.77904511e-04 -1.64536045e-04 1.64536045e-04] [ 1.90616520e-04 1.39145344e-04 1.39145344e-04] [ 2.77904511e-04 1.64536045e-04 -1.64536046e-04] [ 1.90616520e-04 -1.39145344e-04 -1.39145343e-04] [ 5.98993077e-13 -9.22095733e-13 -3.87939680e-13] [ 6.82457563e-13 3.29408591e-13 -9.05102328e-13] [-2.97539771e-14 -5.67934905e-04 -5.67934908e-04] [ 1.53321800e-13 -8.73179855e-05 8.73179809e-05] [ 1.80321036e-13 8.73179841e-05 -8.73179821e-05] [ 2.70655026e-13 5.67934906e-04 5.67934906e-04] [-9.24810603e-05 -3.51570634e-04 -5.45032265e-05] [-9.24810601e-05 3.51570635e-04 5.45032265e-05] [ 9.24810597e-05 -3.51570634e-04 -5.45032274e-05] [ 9.24810596e-05 3.51570635e-04 5.45032271e-05] [-9.24810591e-05 -5.45032276e-05 -3.51570635e-04] [ 9.24810604e-05 -5.45032267e-05 -3.51570635e-04] [-9.24810586e-05 5.45032282e-05 3.51570634e-04] [ 9.24810581e-05 5.45032286e-05 3.51570634e-04] [ 3.18791434e-13 -5.67934907e-04 -5.67934905e-04] [-7.01843098e-14 -8.73179834e-05 8.73179827e-05] [ 5.66153895e-13 8.73179826e-05 -8.73179836e-05] [-4.61870559e-13 5.67934906e-04 5.67934907e-04] [-9.24810599e-05 -3.51570636e-04 -5.45032272e-05] [-9.24810579e-05 3.51570634e-04 5.45032287e-05] [ 9.24810589e-05 -3.51570635e-04 -5.45032281e-05] [ 9.24810575e-05 3.51570635e-04 5.45032292e-05] [-9.24810602e-05 -5.45032268e-05 -3.51570634e-04] [ 9.24810610e-05 -5.45032261e-05 -3.51570634e-04] [-9.24810601e-05 5.45032269e-05 3.51570634e-04] [ 9.24810610e-05 5.45032263e-05 3.51570634e-04]] Final stress: [ 1.49768991e-05 -7.63876128e-06 -7.63876128e-06 -5.83279884e-06 -2.84297066e-16 9.31031329e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.34690246e-04 3.73520659e-14 -1.14096928e-04] [-4.34690246e-04 1.81910043e-13 1.14096928e-04] [ 1.38742316e-13 5.67707361e-06 -9.16393697e-14] [-6.22280005e-14 -5.67707335e-06 -4.62685446e-14] [-1.13892376e-04 -4.45186422e-14 6.12366995e-06] [ 1.13892375e-04 -1.19709798e-13 -6.12366950e-06] [ 4.34690247e-04 -7.78136236e-14 -1.14096928e-04] [-4.34690246e-04 -2.20457767e-13 1.14096928e-04] [-9.56639282e-14 5.67707338e-06 4.02753026e-14] [ 6.56180839e-14 -5.67707400e-06 9.32687383e-14] [-1.13892376e-04 3.34722252e-13 6.12366934e-06] [ 1.13892376e-04 -9.60913467e-14 -6.12366926e-06] [-5.31200343e-05 3.87671827e-04 1.46210026e-04] [ 5.99537531e-05 1.01907166e-04 1.39929154e-04] [ 5.31200346e-05 3.87671826e-04 -1.46210026e-04] [-5.99537528e-05 1.01907166e-04 -1.39929155e-04] [-5.99537531e-05 -1.01907165e-04 -1.39929155e-04] [ 5.31200340e-05 -3.87671827e-04 -1.46210026e-04] [-5.31200341e-05 -3.87671826e-04 1.46210026e-04] [ 5.99537530e-05 -1.01907166e-04 1.39929154e-04] [-5.31200340e-05 3.87671826e-04 1.46210026e-04] [ 5.99537533e-05 1.01907166e-04 1.39929155e-04] [ 5.31200341e-05 3.87671827e-04 -1.46210026e-04] [-5.99537531e-05 1.01907166e-04 -1.39929155e-04] [-5.99537533e-05 -1.01907166e-04 -1.39929155e-04] [ 5.31200342e-05 -3.87671826e-04 -1.46210026e-04] [-5.31200343e-05 -3.87671826e-04 1.46210026e-04] [ 5.99537530e-05 -1.01907166e-04 1.39929154e-04] [ 3.56881191e-13 1.14575016e-13 -3.52995411e-13] [-3.80072709e-13 4.29983757e-13 -7.39521027e-14] [ 3.10325020e-04 2.31819028e-04 2.31938176e-04] [ 3.10325020e-04 -2.31819028e-04 2.31938175e-04] [-3.10325021e-04 2.31819027e-04 -2.31938176e-04] [-3.10325020e-04 -2.31819027e-04 -2.31938176e-04] [ 4.10643198e-04 8.06243960e-13 4.02207712e-04] [-2.85652590e-04 6.67728026e-13 2.94030884e-04] [ 2.85652590e-04 -3.06282777e-14 -2.94030885e-04] [-4.10643200e-04 3.34458156e-13 -4.02207711e-04] [ 6.24820475e-05 5.39564729e-05 3.09833734e-04] [-6.24820471e-05 5.39564727e-05 -3.09833734e-04] [ 6.24820489e-05 -5.39564717e-05 3.09833734e-04] [-6.24820489e-05 -5.39564719e-05 -3.09833734e-04] [ 3.10325021e-04 2.31819023e-04 2.31938181e-04] [ 3.10325021e-04 -2.31819024e-04 2.31938179e-04] [-3.10325021e-04 2.31819023e-04 -2.31938180e-04] [-3.10325021e-04 -2.31819023e-04 -2.31938179e-04] [ 4.10643202e-04 -2.89771817e-13 4.02207708e-04] [-2.85652585e-04 -4.81241349e-13 2.94030889e-04] [ 2.85652585e-04 -1.63754427e-13 -2.94030889e-04] [-4.10643203e-04 3.92763079e-14 -4.02207708e-04] [ 6.24820435e-05 5.39564765e-05 3.09833733e-04] [-6.24820435e-05 5.39564769e-05 -3.09833733e-04] [ 6.24820439e-05 -5.39564761e-05 3.09833733e-04] [-6.24820424e-05 -5.39564776e-05 -3.09833734e-04]] Final stress: [-1.49284516e-05 7.68393686e-06 7.68836179e-06 6.15126927e-16 5.74590181e-06 1.91188099e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.35357086e-04 -5.20534137e-14 1.11618011e-04] [-4.35357087e-04 -4.31599201e-14 -1.11618011e-04] [-2.94113692e-14 5.93796781e-06 5.08182905e-14] [-1.70419234e-14 -5.93796757e-06 -8.73190409e-14] [ 1.11415269e-04 1.30230028e-13 6.38498891e-06] [-1.11415269e-04 -4.16333634e-15 -6.38498924e-06] [ 4.35357086e-04 5.35652252e-14 1.11618011e-04] [-4.35357086e-04 1.01934954e-13 -1.11618011e-04] [ 1.35733872e-13 5.93796798e-06 -2.48601419e-13] [ 3.36319514e-14 -5.93796708e-06 -1.40566674e-13] [ 1.11415269e-04 7.79127228e-14 6.38498961e-06] [-1.11415269e-04 1.10118315e-13 -6.38498895e-06] [-5.95278600e-05 -1.03522857e-04 1.40564648e-04] [ 5.39882040e-05 -3.89267501e-04 1.45555925e-04] [ 5.95278600e-05 -1.03522857e-04 -1.40564647e-04] [-5.39882045e-05 -3.89267501e-04 -1.45555925e-04] [-5.39882045e-05 3.89267501e-04 -1.45555925e-04] [ 5.95278602e-05 1.03522857e-04 -1.40564647e-04] [-5.95278602e-05 1.03522857e-04 1.40564648e-04] [ 5.39882041e-05 3.89267501e-04 1.45555925e-04] [-5.95278603e-05 -1.03522857e-04 1.40564647e-04] [ 5.39882040e-05 -3.89267501e-04 1.45555924e-04] [ 5.95278601e-05 -1.03522857e-04 -1.40564647e-04] [-5.39882043e-05 -3.89267501e-04 -1.45555925e-04] [-5.39882045e-05 3.89267501e-04 -1.45555925e-04] [ 5.95278600e-05 1.03522857e-04 -1.40564648e-04] [-5.95278603e-05 1.03522857e-04 1.40564647e-04] [ 5.39882041e-05 3.89267501e-04 1.45555925e-04] [ 6.56114052e-13 -1.48214774e-13 3.98819866e-13] [-1.07048918e-13 -4.76255640e-13 -5.12571633e-13] [-3.10785845e-04 2.31342073e-04 2.31460618e-04] [-3.10785845e-04 -2.31342074e-04 2.31460617e-04] [ 3.10785846e-04 2.31342071e-04 -2.31460620e-04] [ 3.10785846e-04 -2.31342071e-04 -2.31460619e-04] [-2.82410282e-04 -1.24367183e-12 -2.97303096e-04] [ 4.13566618e-04 -8.70331585e-13 -3.98613655e-04] [-4.13566616e-04 -1.03493950e-12 3.98613656e-04] [ 2.82410282e-04 -7.99827218e-13 2.97303096e-04] [ 6.55644620e-05 5.05235043e-05 -3.10295500e-04] [-6.55644614e-05 5.05235054e-05 3.10295499e-04] [ 6.55644605e-05 -5.05235060e-05 -3.10295500e-04] [-6.55644604e-05 -5.05235061e-05 3.10295499e-04] [-3.10785846e-04 2.31342072e-04 2.31460618e-04] [-3.10785847e-04 -2.31342071e-04 2.31460620e-04] [ 3.10785846e-04 2.31342072e-04 -2.31460618e-04] [ 3.10785846e-04 -2.31342070e-04 -2.31460621e-04] [-2.82410282e-04 2.32034809e-13 -2.97303096e-04] [ 4.13566618e-04 1.29376327e-13 -3.98613655e-04] [-4.13566616e-04 9.42878588e-14 3.98613656e-04] [ 2.82410278e-04 4.36634236e-13 2.97303100e-04] [ 6.55644594e-05 5.05235072e-05 -3.10295498e-04] [-6.55644593e-05 5.05235069e-05 3.10295499e-04] [ 6.55644603e-05 -5.05235065e-05 -3.10295498e-04] [-6.55644613e-05 -5.05235052e-05 3.10295499e-04]] Final stress: [-1.49356570e-05 7.69736031e-06 7.70179209e-06 -1.01412818e-16 -5.77200832e-06 1.34662922e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.39900008e-04 1.56959515e-13 -6.73001257e-05] [ 4.39900007e-04 5.03486142e-14 6.73001259e-05] [ 1.50574431e-13 -4.12049192e-06 -4.45051981e-14] [ 1.83492110e-13 4.12049295e-06 8.94007091e-14] [-6.74421122e-05 -7.75360678e-14 -3.66891303e-06] [ 6.74421127e-05 -1.07663878e-13 3.66891143e-06] [-4.39900008e-04 4.71484830e-14 -6.73001257e-05] [ 4.39900007e-04 7.87763951e-14 6.73001258e-05] [-1.71247565e-13 -4.12049258e-06 -2.75219228e-13] [-1.72769351e-13 4.12049266e-06 -1.39368072e-13] [-6.74421124e-05 3.18548475e-14 -3.66891179e-06] [ 6.74421124e-05 3.17153754e-14 3.66891308e-06] [ 3.45796331e-05 1.17225117e-04 -1.63936691e-04] [-6.58556383e-05 4.14697236e-04 -1.33131900e-04] [-3.45796326e-05 1.17225116e-04 1.63936691e-04] [ 6.58556377e-05 4.14697236e-04 1.33131900e-04] [ 6.58556376e-05 -4.14697236e-04 1.33131901e-04] [-3.45796325e-05 -1.17225116e-04 1.63936691e-04] [ 3.45796335e-05 -1.17225117e-04 -1.63936690e-04] [-6.58556378e-05 -4.14697235e-04 -1.33131901e-04] [ 3.45796323e-05 1.17225116e-04 -1.63936691e-04] [-6.58556376e-05 4.14697236e-04 -1.33131901e-04] [-3.45796336e-05 1.17225117e-04 1.63936690e-04] [ 6.58556376e-05 4.14697236e-04 1.33131900e-04] [ 6.58556379e-05 -4.14697235e-04 1.33131900e-04] [-3.45796333e-05 -1.17225117e-04 1.63936690e-04] [ 3.45796327e-05 -1.17225116e-04 -1.63936691e-04] [-6.58556379e-05 -4.14697235e-04 -1.33131901e-04] [ 9.24343935e-13 -8.84931017e-13 1.65414904e-12] [ 2.44583433e-13 -1.15073953e-13 -1.18583301e-12] [ 3.32563483e-04 -2.34352310e-04 -2.34242234e-04] [ 3.32563482e-04 2.34352311e-04 -2.34242233e-04] [-3.32563482e-04 -2.34352313e-04 2.34242231e-04] [-3.32563483e-04 2.34352313e-04 2.34242231e-04] [ 2.77816199e-04 -5.91859894e-13 2.63576646e-04] [-3.89104855e-04 -5.15672574e-13 4.03331383e-04] [ 3.89104852e-04 -5.12784259e-13 -4.03331386e-04] [-2.77816199e-04 -4.38017678e-15 -2.63576645e-04] [-5.56584544e-05 -7.00015927e-05 3.33019370e-04] [ 5.56584543e-05 -7.00015935e-05 -3.33019371e-04] [-5.56584529e-05 7.00015937e-05 3.33019370e-04] [ 5.56584529e-05 7.00015940e-05 -3.33019371e-04] [ 3.32563483e-04 -2.34352314e-04 -2.34242230e-04] [ 3.32563483e-04 2.34352313e-04 -2.34242230e-04] [-3.32563482e-04 -2.34352313e-04 2.34242231e-04] [-3.32563482e-04 2.34352313e-04 2.34242231e-04] [ 2.77816201e-04 -6.93128843e-13 2.63576644e-04] [-3.89104851e-04 -7.63427949e-13 4.03331387e-04] [ 3.89104853e-04 -8.70188470e-13 -4.03331385e-04] [-2.77816203e-04 -9.69431133e-13 -2.63576643e-04] [-5.56584554e-05 -7.00015922e-05 3.33019371e-04] [ 5.56584565e-05 -7.00015904e-05 -3.33019370e-04] [-5.56584552e-05 7.00015922e-05 3.33019372e-04] [ 5.56584555e-05 7.00015914e-05 -3.33019370e-04]] Final stress: [ 1.46618358e-05 -7.79988885e-06 -7.79567036e-06 -2.85959622e-16 6.25952910e-06 1.66255594e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.39883842e-04 -1.60422457e-13 6.73449411e-05] [ 4.39883843e-04 9.44244682e-14 -6.73449414e-05] [ 2.08351999e-13 -4.03028462e-06 -7.19949274e-14] [-5.88973315e-14 4.03028432e-06 -2.67563749e-14] [ 6.74869663e-05 -1.06622610e-13 -3.57869702e-06] [-6.74869661e-05 1.77746706e-13 3.57869645e-06] [-4.39883842e-04 2.31397367e-13 6.73449410e-05] [ 4.39883843e-04 -1.39522942e-13 -6.73449413e-05] [-5.60710332e-14 -4.03028394e-06 -1.19873025e-13] [ 1.06472990e-13 4.03028528e-06 1.35788943e-14] [ 6.74869662e-05 -4.30736850e-14 -3.57869750e-06] [-6.74869665e-05 -5.10118023e-14 3.57869666e-06] [ 6.58555566e-05 -4.14660495e-04 -1.33129285e-04] [-3.45577946e-05 -1.17171908e-04 -1.63955770e-04] [-6.58555562e-05 -4.14660495e-04 1.33129285e-04] [ 3.45577950e-05 -1.17171908e-04 1.63955770e-04] [ 3.45577951e-05 1.17171908e-04 1.63955769e-04] [-6.58555560e-05 4.14660495e-04 1.33129285e-04] [ 6.58555560e-05 4.14660495e-04 -1.33129285e-04] [-3.45577946e-05 1.17171908e-04 -1.63955769e-04] [ 6.58555557e-05 -4.14660495e-04 -1.33129285e-04] [-3.45577948e-05 -1.17171908e-04 -1.63955769e-04] [-6.58555558e-05 -4.14660494e-04 1.33129285e-04] [ 3.45577949e-05 -1.17171908e-04 1.63955770e-04] [ 3.45577949e-05 1.17171908e-04 1.63955770e-04] [-6.58555564e-05 4.14660495e-04 1.33129285e-04] [ 6.58555559e-05 4.14660495e-04 -1.33129285e-04] [-3.45577943e-05 1.17171909e-04 -1.63955770e-04] [-1.85407245e-13 2.80470092e-13 4.35623759e-13] [-2.91983451e-13 -8.75266974e-13 2.19428505e-13] [-3.32625851e-04 -2.34352018e-04 -2.34241947e-04] [-3.32625850e-04 2.34352018e-04 -2.34241947e-04] [ 3.32625848e-04 -2.34352017e-04 2.34241948e-04] [ 3.32625849e-04 2.34352018e-04 2.34241946e-04] [-3.89292688e-04 2.78221890e-13 -4.03140819e-04] [ 2.77577274e-04 3.03174152e-13 -2.63716297e-04] [-2.77577276e-04 -8.04488420e-13 2.63716295e-04] [ 3.89292688e-04 -1.33674495e-12 4.03140820e-04] [-5.58718319e-05 -6.98364725e-05 -3.33081766e-04] [ 5.58718326e-05 -6.98364720e-05 3.33081766e-04] [-5.58718336e-05 6.98364713e-05 -3.33081766e-04] [ 5.58718335e-05 6.98364711e-05 3.33081766e-04] [-3.32625849e-04 -2.34352018e-04 -2.34241947e-04] [-3.32625850e-04 2.34352019e-04 -2.34241946e-04] [ 3.32625849e-04 -2.34352017e-04 2.34241948e-04] [ 3.32625849e-04 2.34352018e-04 2.34241946e-04] [-3.89292688e-04 -2.61577862e-14 -4.03140821e-04] [ 2.77577276e-04 -8.14764922e-14 -2.63716295e-04] [-2.77577276e-04 1.07847759e-13 2.63716295e-04] [ 3.89292689e-04 4.77929328e-13 4.03140820e-04] [-5.58718328e-05 -6.98364727e-05 -3.33081766e-04] [ 5.58718329e-05 -6.98364713e-05 3.33081767e-04] [-5.58718323e-05 6.98364726e-05 -3.33081767e-04] [ 5.58718353e-05 6.98364695e-05 3.33081766e-04]] Final stress: [ 1.46629076e-05 -7.79989083e-06 -7.79567286e-06 -5.55293685e-16 -6.25911771e-06 2.51045948e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.32344967e-04 -1.06126246e-04 -9.45554399e-14] [-4.32344967e-04 1.06126246e-04 2.21128671e-13] [-1.05934069e-04 -3.57378107e-06 1.60306664e-13] [ 1.05934069e-04 3.57378229e-06 1.01640918e-13] [ 1.36746951e-13 -1.26782265e-13 -4.02381418e-06] [-1.97730721e-13 -6.93889390e-14 4.02381334e-06] [ 4.32344966e-04 -1.06126245e-04 3.46080831e-13] [-4.32344967e-04 1.06126246e-04 -2.58304876e-13] [-1.05934069e-04 -3.57378154e-06 5.71666230e-14] [ 1.05934069e-04 3.57378179e-06 -4.09199264e-14] [-1.91584162e-13 2.51123579e-13 -4.02381365e-06] [-1.85754190e-14 -8.56093965e-14 4.02381368e-06] [-5.71890380e-05 1.41151544e-04 3.90148348e-04] [ 5.71890379e-05 -1.41151544e-04 3.90148348e-04] [ 5.25810263e-05 1.46302625e-04 1.03077657e-04] [-5.25810258e-05 -1.46302625e-04 1.03077657e-04] [-5.71890380e-05 1.41151544e-04 -3.90148348e-04] [ 5.71890379e-05 -1.41151544e-04 -3.90148348e-04] [-5.25810259e-05 -1.46302625e-04 -1.03077657e-04] [ 5.25810260e-05 1.46302625e-04 -1.03077657e-04] [-5.71890380e-05 1.41151544e-04 3.90148347e-04] [ 5.71890379e-05 -1.41151544e-04 3.90148348e-04] [ 5.25810255e-05 1.46302626e-04 1.03077657e-04] [-5.25810262e-05 -1.46302625e-04 1.03077657e-04] [-5.71890381e-05 1.41151543e-04 -3.90148348e-04] [ 5.71890374e-05 -1.41151544e-04 -3.90148348e-04] [-5.25810263e-05 -1.46302625e-04 -1.03077658e-04] [ 5.25810262e-05 1.46302625e-04 -1.03077657e-04] [ 1.30284672e-12 -9.35834743e-13 7.71799291e-13] [ 2.70318056e-13 2.88918550e-13 5.80390181e-13] [ 3.21972548e-04 2.32158166e-04 2.32041323e-04] [-3.21972549e-04 -2.32158166e-04 2.32041323e-04] [ 3.21972549e-04 2.32158165e-04 -2.32041324e-04] [-3.21972547e-04 -2.32158165e-04 -2.32041325e-04] [ 6.01340205e-05 3.21486049e-04 5.85599226e-05] [ 6.01340168e-05 3.21486048e-04 -5.85599254e-05] [-6.01340184e-05 -3.21486049e-04 5.85599241e-05] [-6.01340160e-05 -3.21486048e-04 -5.85599262e-05] [ 4.03219395e-04 4.01744771e-04 -1.09912079e-14] [ 2.82922965e-04 -2.84363779e-04 -1.71841534e-12] [-2.82922965e-04 2.84363778e-04 -4.48079074e-14] [-4.03219397e-04 -4.01744769e-04 -1.37088431e-12] [ 3.21972549e-04 2.32158165e-04 2.32041324e-04] [-3.21972548e-04 -2.32158165e-04 2.32041323e-04] [ 3.21972549e-04 2.32158168e-04 -2.32041322e-04] [-3.21972550e-04 -2.32158168e-04 -2.32041321e-04] [ 6.01340160e-05 3.21486047e-04 5.85599264e-05] [ 6.01340189e-05 3.21486047e-04 -5.85599239e-05] [-6.01340163e-05 -3.21486048e-04 5.85599261e-05] [-6.01340166e-05 -3.21486048e-04 -5.85599264e-05] [ 4.03219396e-04 4.01744770e-04 7.22720764e-13] [ 2.82922963e-04 -2.84363781e-04 1.87972021e-12] [-2.82922964e-04 2.84363780e-04 9.12560978e-13] [-4.03219397e-04 -4.01744769e-04 9.45841495e-13]] Final stress: [-1.49516041e-05 7.67370391e-06 7.66931865e-06 7.19864755e-16 6.06814401e-16 5.83624684e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.33365259e-04 1.02849394e-04 1.00167270e-14] [-4.33365260e-04 -1.02849394e-04 1.36196610e-13] [ 1.02659457e-04 -7.54604510e-07 2.35744150e-13] [-1.02659457e-04 7.54604825e-07 -2.30371278e-13] [ 6.15857192e-14 6.50582019e-14 -1.20465010e-06] [-1.03694830e-13 3.03340686e-13 1.20464895e-06] [ 4.33365259e-04 1.02849394e-04 -5.17103438e-14] [-4.33365260e-04 -1.02849394e-04 -9.78024750e-14] [ 1.02659457e-04 -7.54603814e-07 -1.81261509e-13] [-1.02659457e-04 7.54605274e-07 1.45614602e-14] [-6.59325025e-14 7.53559669e-14 -1.20465026e-06] [-2.25426448e-13 -3.26106817e-13 1.20464972e-06] [-5.30450648e-05 1.46158239e-04 -1.05924909e-04] [ 5.30450654e-05 -1.46158239e-04 -1.05924909e-04] [ 5.78758413e-05 1.40790370e-04 -3.92489283e-04] [-5.78758416e-05 -1.40790370e-04 -3.92489283e-04] [-5.30450648e-05 1.46158239e-04 1.05924909e-04] [ 5.30450649e-05 -1.46158239e-04 1.05924910e-04] [-5.78758418e-05 -1.40790370e-04 3.92489283e-04] [ 5.78758411e-05 1.40790371e-04 3.92489283e-04] [-5.30450655e-05 1.46158239e-04 -1.05924909e-04] [ 5.30450654e-05 -1.46158239e-04 -1.05924910e-04] [ 5.78758410e-05 1.40790370e-04 -3.92489283e-04] [-5.78758410e-05 -1.40790370e-04 -3.92489283e-04] [-5.30450653e-05 1.46158239e-04 1.05924909e-04] [ 5.30450651e-05 -1.46158239e-04 1.05924909e-04] [-5.78758417e-05 -1.40790370e-04 3.92489282e-04] [ 5.78758413e-05 1.40790370e-04 3.92489283e-04] [ 5.62133673e-13 -5.59274849e-13 1.09126597e-12] [ 3.75937129e-13 -1.24036257e-12 4.80436370e-13] [-3.20250340e-04 2.31659822e-04 2.31543090e-04] [ 3.20250339e-04 -2.31659824e-04 2.31543089e-04] [-3.20250340e-04 2.31659821e-04 -2.31543091e-04] [ 3.20250339e-04 -2.31659821e-04 -2.31543091e-04] [ 5.84676658e-05 -3.19765350e-04 5.86293478e-05] [ 5.84676637e-05 -3.19765351e-04 -5.86293491e-05] [-5.84676662e-05 3.19765350e-04 5.86293471e-05] [-5.84676649e-05 3.19765349e-04 -5.86293479e-05] [-2.85231193e-04 -2.84936095e-04 -7.90700838e-13] [-4.02195738e-04 4.02456519e-04 -1.32955279e-12] [ 4.02195738e-04 -4.02456520e-04 4.53491411e-13] [ 2.85231191e-04 2.84936098e-04 2.79290480e-14] [-3.20250340e-04 2.31659821e-04 2.31543091e-04] [ 3.20250342e-04 -2.31659821e-04 2.31543091e-04] [-3.20250340e-04 2.31659821e-04 -2.31543091e-04] [ 3.20250341e-04 -2.31659823e-04 -2.31543089e-04] [ 5.84676652e-05 -3.19765349e-04 5.86293478e-05] [ 5.84676675e-05 -3.19765348e-04 -5.86293457e-05] [-5.84676647e-05 3.19765348e-04 5.86293489e-05] [-5.84676655e-05 3.19765349e-04 -5.86293479e-05] [-2.85231192e-04 -2.84936097e-04 1.22678370e-12] [-4.02195735e-04 4.02456522e-04 1.76046453e-12] [ 4.02195737e-04 -4.02456520e-04 3.25995876e-13] [ 2.85231191e-04 2.84936098e-04 5.48365606e-13]] Final stress: [-1.49311425e-05 7.68784161e-06 7.68343523e-06 4.43888890e-16 4.22276323e-16 -5.86882430e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.42119142e-04 -6.81900736e-05 1.73505307e-13] [ 4.42119142e-04 6.81900737e-05 1.39332990e-14] [-6.83357507e-05 -9.33952437e-06 -1.44263507e-13] [ 6.83357506e-05 9.33952496e-06 -1.49852353e-13] [-1.25404461e-13 -7.72411649e-14 -9.78983160e-06] [ 1.36002321e-13 -9.23428001e-14 9.78983058e-06] [-4.42119141e-04 -6.81900734e-05 -5.75856332e-14] [ 4.42119142e-04 6.81900735e-05 2.58858932e-14] [-6.83357509e-05 -9.33952481e-06 -8.22849122e-14] [ 6.83357509e-05 9.33952497e-06 9.38081100e-15] [-2.94011343e-13 6.15971787e-14 -9.78983235e-06] [ 4.55273839e-14 6.51624522e-14 9.78983117e-06] [ 3.77429458e-05 -1.61470806e-04 1.18684042e-04] [-3.77429460e-05 1.61470806e-04 1.18684042e-04] [-6.48816908e-05 -1.34802845e-04 4.15358477e-04] [ 6.48816913e-05 1.34802845e-04 4.15358477e-04] [ 3.77429459e-05 -1.61470807e-04 -1.18684042e-04] [-3.77429461e-05 1.61470806e-04 -1.18684042e-04] [ 6.48816911e-05 1.34802845e-04 -4.15358477e-04] [-6.48816906e-05 -1.34802845e-04 -4.15358477e-04] [ 3.77429459e-05 -1.61470807e-04 1.18684042e-04] [-3.77429456e-05 1.61470807e-04 1.18684042e-04] [-6.48816907e-05 -1.34802844e-04 4.15358476e-04] [ 6.48816907e-05 1.34802845e-04 4.15358477e-04] [ 3.77429459e-05 -1.61470806e-04 -1.18684042e-04] [-3.77429459e-05 1.61470807e-04 -1.18684042e-04] [ 6.48816904e-05 1.34802845e-04 -4.15358477e-04] [-6.48816904e-05 -1.34802844e-04 -4.15358477e-04] [-4.53165283e-13 -6.09040596e-13 1.15979448e-12] [ 9.84867569e-14 2.16453438e-13 3.01494732e-13] [ 3.27206543e-04 -2.33545964e-04 -2.33656553e-04] [-3.27206545e-04 2.33545966e-04 -2.33656550e-04] [ 3.27206544e-04 -2.33545964e-04 2.33656554e-04] [-3.27206545e-04 2.33545966e-04 2.33656551e-04] [-5.87684823e-05 3.27663500e-04 -6.50374602e-05] [-5.87684816e-05 3.27663500e-04 6.50374607e-05] [ 5.87684806e-05 -3.27663499e-04 -6.50374617e-05] [ 5.87684810e-05 -3.27663499e-04 6.50374616e-05] [ 2.77039924e-04 2.70881650e-04 1.01674225e-12] [ 3.94548633e-04 -4.00707131e-04 4.92630242e-13] [-3.94548634e-04 4.00707130e-04 7.75327719e-13] [-2.77039924e-04 -2.70881650e-04 7.10412631e-13] [ 3.27206545e-04 -2.33545967e-04 -2.33656550e-04] [-3.27206545e-04 2.33545967e-04 -2.33656549e-04] [ 3.27206546e-04 -2.33545968e-04 2.33656549e-04] [-3.27206545e-04 2.33545968e-04 2.33656548e-04] [-5.87684780e-05 3.27663498e-04 -6.50374646e-05] [-5.87684787e-05 3.27663498e-04 6.50374645e-05] [ 5.87684779e-05 -3.27663499e-04 -6.50374645e-05] [ 5.87684795e-05 -3.27663499e-04 6.50374634e-05] [ 2.77039922e-04 2.70881652e-04 4.71011030e-13] [ 3.94548635e-04 -4.00707129e-04 -6.68197221e-14] [-3.94548636e-04 4.00707129e-04 -7.90628210e-14] [-2.77039917e-04 -2.70881655e-04 1.31839852e-13]] Final stress: [ 1.46501110e-05 -7.81790806e-06 -7.82215128e-06 4.82141224e-17 -8.99442766e-16 6.24681027e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.39914581e-04 6.71432313e-05 -4.65790601e-14] [ 4.39914582e-04 -6.71432311e-05 -8.43769499e-15] [ 6.72850914e-05 -3.59738579e-06 -2.40363285e-14] [-6.72850912e-05 3.59738643e-06 -4.27435864e-14] [-1.46960569e-13 1.15862181e-13 -4.04900210e-06] [-2.61068944e-13 7.91866572e-14 4.04900158e-06] [-4.39914582e-04 6.71432313e-05 1.16180165e-13] [ 4.39914581e-04 -6.71432312e-05 -2.06984729e-13] [ 6.72850911e-05 -3.59738514e-06 -2.03047357e-14] [-6.72850912e-05 3.59738600e-06 1.14796995e-13] [ 1.09778506e-13 6.10259306e-14 -4.04900226e-06] [-2.42770214e-13 8.90309399e-14 4.04900156e-06] [ 6.59225577e-05 -1.33068531e-04 -4.14776869e-04] [-6.59225579e-05 1.33068530e-04 -4.14776870e-04] [-3.45132085e-05 -1.64006957e-04 -1.17297745e-04] [ 3.45132079e-05 1.64006957e-04 -1.17297745e-04] [ 6.59225579e-05 -1.33068531e-04 4.14776869e-04] [-6.59225579e-05 1.33068530e-04 4.14776869e-04] [ 3.45132078e-05 1.64006957e-04 1.17297744e-04] [-3.45132082e-05 -1.64006957e-04 1.17297744e-04] [ 6.59225583e-05 -1.33068531e-04 -4.14776869e-04] [-6.59225580e-05 1.33068531e-04 -4.14776870e-04] [-3.45132083e-05 -1.64006957e-04 -1.17297744e-04] [ 3.45132081e-05 1.64006957e-04 -1.17297745e-04] [ 6.59225583e-05 -1.33068531e-04 4.14776869e-04] [-6.59225580e-05 1.33068531e-04 4.14776869e-04] [ 3.45132081e-05 1.64006957e-04 1.17297745e-04] [-3.45132083e-05 -1.64006957e-04 1.17297744e-04] [-8.32139913e-13 -7.35217442e-13 6.64523991e-13] [ 1.01502487e-12 -9.29132051e-13 5.04992593e-13] [-3.32665558e-04 -2.34206495e-04 -2.34316533e-04] [ 3.32665558e-04 2.34206497e-04 -2.34316530e-04] [-3.32665557e-04 -2.34206496e-04 2.34316532e-04] [ 3.32665558e-04 2.34206497e-04 2.34316531e-04] [-5.59630464e-05 -3.33121367e-04 -6.97063752e-05] [-5.59630464e-05 -3.33121366e-04 6.97063753e-05] [ 5.59630464e-05 3.33121366e-04 -6.97063756e-05] [ 5.59630460e-05 3.33121367e-04 6.97063760e-05] [-3.89359971e-04 -4.02986848e-04 9.63340518e-13] [-2.77462191e-04 2.63822500e-04 6.29550231e-13] [ 2.77462191e-04 -2.63822501e-04 3.50912008e-13] [ 3.89359971e-04 4.02986848e-04 2.39351941e-13] [-3.32665557e-04 -2.34206497e-04 -2.34316531e-04] [ 3.32665558e-04 2.34206496e-04 -2.34316531e-04] [-3.32665557e-04 -2.34206497e-04 2.34316531e-04] [ 3.32665557e-04 2.34206498e-04 2.34316530e-04] [-5.59630454e-05 -3.33121367e-04 -6.97063759e-05] [-5.59630454e-05 -3.33121368e-04 6.97063761e-05] [ 5.59630449e-05 3.33121366e-04 -6.97063761e-05] [ 5.59630457e-05 3.33121366e-04 6.97063757e-05] [-3.89359971e-04 -4.02986848e-04 -4.12785907e-13] [-2.77462191e-04 2.63822500e-04 8.71832107e-14] [ 2.77462190e-04 -2.63822502e-04 1.53914391e-13] [ 3.89359973e-04 4.02986846e-04 5.23372144e-13]] Final stress: [ 1.46625936e-05 -7.79642625e-06 -7.80064466e-06 -3.00922626e-16 6.53384486e-16 -6.26125440e-06] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-6.71525794e-03 1.12034947e-13 -4.49662876e-13] [ 6.71525794e-03 -7.15261184e-14 -2.04197770e-13] [-3.48429185e-13 -7.19797252e-03 -8.47624054e-13] [-3.28126415e-13 7.19797252e-03 2.36866082e-13] [-4.46460143e-13 -8.70119948e-14 -6.71525794e-03] [-9.10382880e-14 -4.03066469e-13 6.71525794e-03] [-6.71525794e-03 1.87895706e-13 4.23275602e-13] [ 6.71525794e-03 3.33634596e-13 -3.57838962e-13] [-1.45044567e-13 -7.19797252e-03 -5.30505599e-13] [-3.98525397e-13 7.19797252e-03 -3.65594819e-13] [-3.02032704e-14 -1.98708629e-13 -6.71525795e-03] [ 5.14412297e-13 1.98748404e-13 6.71525794e-03] [-1.61526496e-03 1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 -1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 1.74669983e-03 1.61526496e-03] [-1.61526496e-03 -1.74669983e-03 1.61526496e-03] [-1.61526496e-03 1.74669983e-03 1.61526496e-03] [ 1.61526496e-03 -1.74669983e-03 1.61526496e-03] [-1.61526496e-03 -1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 1.74669983e-03 -1.61526496e-03] [-1.61526496e-03 1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 -1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 1.74669983e-03 1.61526496e-03] [-1.61526496e-03 -1.74669983e-03 1.61526496e-03] [-1.61526496e-03 1.74669983e-03 1.61526496e-03] [ 1.61526496e-03 -1.74669983e-03 1.61526496e-03] [-1.61526496e-03 -1.74669983e-03 -1.61526496e-03] [ 1.61526496e-03 1.74669983e-03 -1.61526496e-03] [-1.24700250e-12 3.89605015e-13 2.92377234e-13] [-2.54532073e-13 6.14343205e-13 1.43891088e-12] [ 2.05058193e-13 -5.54332465e-04 2.01562793e-04] [-3.81939272e-13 5.54332464e-04 2.01562791e-04] [-6.15583973e-14 -5.54332464e-04 -2.01562793e-04] [ 6.28733177e-13 5.54332464e-04 -2.01562792e-04] [-3.49212679e-03 6.72906175e-13 -3.49212679e-03] [-3.49212679e-03 8.14053686e-14 3.49212679e-03] [ 3.49212679e-03 1.18131893e-12 -3.49212679e-03] [ 3.49212679e-03 1.38982575e-13 3.49212679e-03] [ 2.01562793e-04 -5.54332464e-04 2.84217094e-13] [-2.01562792e-04 -5.54332463e-04 8.48651011e-13] [ 2.01562792e-04 5.54332464e-04 1.62987679e-13] [-2.01562792e-04 5.54332465e-04 2.56777238e-13] [ 4.91190422e-13 -5.54332464e-04 2.01562793e-04] [ 2.34423158e-13 5.54332464e-04 2.01562793e-04] [ 9.22569313e-15 -5.54332465e-04 -2.01562795e-04] [ 1.43469004e-13 5.54332463e-04 -2.01562792e-04] [-3.49212679e-03 1.41998215e-12 -3.49212679e-03] [-3.49212679e-03 2.91464769e-13 3.49212679e-03] [ 3.49212679e-03 1.55354766e-12 -3.49212679e-03] [ 3.49212679e-03 -1.39686873e-13 3.49212679e-03] [ 2.01562793e-04 -5.54332465e-04 -3.24693903e-14] [-2.01562792e-04 -5.54332464e-04 2.17666326e-14] [ 2.01562793e-04 5.54332466e-04 -4.53130534e-13] [-2.01562792e-04 5.54332466e-04 -2.26547080e-13]] Final stress: [-4.22948458e-05 2.03878667e-04 -4.22948458e-05 -2.08321439e-15 -2.10981569e-15 6.11829923e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.56575897e-03 9.13835847e-13 2.00539542e-12] [ 7.56575897e-03 2.06024087e-12 2.87761481e-12] [ 1.64792529e-12 4.05804515e-04 2.63002771e-12] [-7.12457870e-13 -4.05804503e-04 -5.48894263e-13] [ 1.01098904e-12 9.01275582e-14 4.05804489e-04] [ 3.31346062e-13 1.90250593e-12 -4.05804514e-04] [-7.56575898e-03 1.82543260e-12 -2.86799513e-12] [ 7.56575899e-03 -4.73861835e-12 -2.28312534e-12] [-2.71511069e-12 4.05804510e-04 -7.67605333e-13] [ 2.32876782e-12 -4.05804500e-04 2.51838423e-12] [-1.10956556e-12 4.03469033e-12 4.05804513e-04] [ 2.61335224e-13 3.50337013e-13 -4.05804503e-04] [ 3.10637989e-03 1.45582333e-03 1.45582333e-03] [-3.10637989e-03 -1.45582333e-03 1.45582333e-03] [-3.10637988e-03 1.45582332e-03 -1.45582332e-03] [ 3.10637988e-03 -1.45582332e-03 -1.45582332e-03] [ 3.10637988e-03 1.45582332e-03 -1.45582333e-03] [-3.10637988e-03 -1.45582332e-03 -1.45582332e-03] [ 3.10637989e-03 -1.45582333e-03 1.45582333e-03] [-3.10637989e-03 1.45582333e-03 1.45582333e-03] [ 3.10637988e-03 1.45582332e-03 1.45582332e-03] [-3.10637989e-03 -1.45582332e-03 1.45582332e-03] [-3.10637989e-03 1.45582334e-03 -1.45582333e-03] [ 3.10637989e-03 -1.45582333e-03 -1.45582333e-03] [ 3.10637989e-03 1.45582333e-03 -1.45582333e-03] [-3.10637989e-03 -1.45582333e-03 -1.45582333e-03] [ 3.10637988e-03 -1.45582332e-03 1.45582332e-03] [-3.10637988e-03 1.45582332e-03 1.45582332e-03] [-8.23313639e-13 -3.95883326e-12 3.20831417e-11] [-1.05527644e-11 -1.25935473e-11 -1.47499915e-11] [-1.41091583e-11 1.44956030e-03 1.44956029e-03] [ 4.77177499e-12 -1.44956027e-03 1.44956032e-03] [-1.07026540e-11 1.44956029e-03 -1.44956029e-03] [ 9.88471111e-12 -1.44956024e-03 -1.44956035e-03] [-2.41702854e-03 2.41344722e-11 5.48743646e-03] [-2.41702860e-03 5.79363987e-12 -5.48743651e-03] [ 2.41702855e-03 1.12839269e-11 5.48743648e-03] [ 2.41702861e-03 -3.16893733e-12 -5.48743653e-03] [-2.41702865e-03 5.48743657e-03 -2.14647189e-11] [ 2.41702864e-03 5.48743655e-03 -2.15303816e-11] [-2.41702861e-03 -5.48743653e-03 -5.64869505e-12] [ 2.41702860e-03 -5.48743653e-03 -9.40334269e-12] [-4.94389772e-12 1.44956028e-03 1.44956029e-03] [-1.22902296e-12 -1.44956029e-03 1.44956027e-03] [-2.04845732e-12 1.44956032e-03 -1.44956026e-03] [ 6.70343989e-13 -1.44956036e-03 -1.44956022e-03] [-2.41702862e-03 -2.67659278e-11 5.48743655e-03] [-2.41702860e-03 -1.75086293e-11 -5.48743652e-03] [ 2.41702863e-03 -2.32297658e-11 5.48743656e-03] [ 2.41702862e-03 -1.43050242e-11 -5.48743654e-03] [-2.41702857e-03 5.48743650e-03 2.60587125e-11] [ 2.41702855e-03 5.48743647e-03 2.92641647e-11] [-2.41702859e-03 -5.48743652e-03 1.63168592e-11] [ 2.41702860e-03 -5.48743652e-03 1.80326990e-11]] Final stress: [ 9.86991244e-05 -1.14692969e-04 -1.14692969e-04 8.79451835e-16 -1.88026470e-15 1.67577968e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.73420791e-03 -4.05609574e-12 1.95289705e-12] [-2.73420789e-03 -8.01692046e-12 1.00494613e-12] [ 1.42290056e-11 5.67871088e-02 4.66799906e-12] [ 1.43212942e-11 -5.67871088e-02 5.08265652e-12] [ 1.50438759e-11 -1.51877903e-12 -4.81500510e-02] [ 1.69246561e-11 -6.42744191e-12 4.81500510e-02] [ 2.73420788e-03 2.66980231e-12 9.05102384e-13] [-2.73420788e-03 -5.81183105e-13 -4.39391642e-12] [-5.05932319e-12 5.67871088e-02 3.12474482e-12] [-4.28036512e-13 -5.67871088e-02 -4.68492695e-12] [-3.71263046e-12 -3.06098690e-12 -4.81500510e-02] [ 6.78778214e-13 -2.22530398e-12 4.81500510e-02] [-9.22213849e-04 6.61764851e-03 -6.47818211e-03] [ 9.22213857e-04 -6.61764852e-03 -6.47818212e-03] [ 9.22213852e-04 6.61764851e-03 6.47818212e-03] [-9.22213849e-04 -6.61764852e-03 6.47818211e-03] [-9.22213850e-04 6.61764851e-03 6.47818211e-03] [ 9.22213860e-04 -6.61764851e-03 6.47818211e-03] [-9.22213853e-04 -6.61764852e-03 -6.47818212e-03] [ 9.22213850e-04 6.61764851e-03 -6.47818212e-03] [-9.22213870e-04 6.61764852e-03 -6.47818213e-03] [ 9.22213841e-04 -6.61764852e-03 -6.47818213e-03] [ 9.22213842e-04 6.61764852e-03 6.47818211e-03] [-9.22213862e-04 -6.61764852e-03 6.47818211e-03] [-9.22213869e-04 6.61764851e-03 6.47818211e-03] [ 9.22213841e-04 -6.61764851e-03 6.47818211e-03] [-9.22213874e-04 -6.61764852e-03 -6.47818213e-03] [ 9.22213848e-04 6.61764851e-03 -6.47818213e-03] [ 2.02236283e-11 1.30573330e-12 2.45379550e-11] [-1.14130328e-11 1.67313129e-12 -6.15126136e-12] [-8.31612557e-12 -7.91799899e-03 5.84244919e-03] [ 5.94418265e-12 7.91799901e-03 5.84244920e-03] [ 8.69667359e-12 -7.91799900e-03 -5.84244918e-03] [ 5.79108463e-12 7.91799900e-03 -5.84244918e-03] [-2.24199746e-03 -1.92433847e-11 4.67314289e-03] [-2.24199748e-03 -2.68363110e-12 -4.67314289e-03] [ 2.24199745e-03 -1.89064701e-11 4.67314286e-03] [ 2.24199749e-03 -1.18295495e-11 -4.67314288e-03] [ 5.20237071e-03 -1.83411430e-03 1.67101888e-11] [-5.20237072e-03 -1.83411433e-03 -5.36747209e-12] [ 5.20237071e-03 1.83411432e-03 -5.32245602e-12] [-5.20237071e-03 1.83411433e-03 4.07449248e-12] [-5.38923290e-12 -7.91799902e-03 5.84244921e-03] [ 7.38226797e-12 7.91799903e-03 5.84244921e-03] [ 7.63807377e-12 -7.91799900e-03 -5.84244919e-03] [ 3.56856255e-12 7.91799903e-03 -5.84244920e-03] [-2.24199746e-03 2.82342471e-12 4.67314286e-03] [-2.24199746e-03 -2.31347472e-12 -4.67314285e-03] [ 2.24199745e-03 1.71992282e-12 4.67314287e-03] [ 2.24199747e-03 -9.16394391e-12 -4.67314287e-03] [ 5.20237072e-03 -1.83411433e-03 -9.35298949e-13] [-5.20237072e-03 -1.83411431e-03 -1.08653394e-11] [ 5.20237072e-03 1.83411435e-03 3.50462128e-12] [-5.20237072e-03 1.83411431e-03 9.59434658e-12]] Final stress: [-7.85574355e-06 -4.68780997e-04 4.17272004e-04 1.18954063e-14 -2.59354770e-15 5.83049473e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.73563529e-03 -8.18633095e-12 4.32216762e-13] [-2.73563527e-03 -3.79210552e-12 8.93465857e-12] [ 8.13436514e-12 -4.81742896e-02 7.77748916e-12] [ 1.21136989e-11 4.81742896e-02 6.72656375e-12] [ 1.47154021e-11 -6.90841091e-12 5.68172347e-02] [ 1.27728939e-11 -6.93106683e-12 -5.68172347e-02] [ 2.73563526e-03 -2.23801359e-12 1.38268570e-12] [-2.73563525e-03 -3.34846473e-12 1.68395430e-12] [-5.76162989e-12 -4.81742896e-02 1.56949894e-12] [ 4.75197139e-14 4.81742896e-02 -5.18172739e-13] [-2.09817146e-12 -4.78045748e-12 5.68172347e-02] [-4.32605774e-13 -5.06834722e-12 -5.68172347e-02] [-9.23000506e-04 -6.48213548e-03 6.62191892e-03] [ 9.23000513e-04 6.48213549e-03 6.62191891e-03] [ 9.23000511e-04 -6.48213549e-03 -6.62191892e-03] [-9.23000510e-04 6.48213549e-03 -6.62191892e-03] [-9.23000513e-04 -6.48213548e-03 -6.62191893e-03] [ 9.23000523e-04 6.48213549e-03 -6.62191892e-03] [-9.23000511e-04 6.48213549e-03 6.62191891e-03] [ 9.23000508e-04 -6.48213549e-03 6.62191891e-03] [-9.23000522e-04 -6.48213548e-03 6.62191890e-03] [ 9.23000501e-04 6.48213549e-03 6.62191890e-03] [ 9.23000496e-04 -6.48213548e-03 -6.62191892e-03] [-9.23000519e-04 6.48213549e-03 -6.62191892e-03] [-9.23000521e-04 -6.48213548e-03 -6.62191893e-03] [ 9.23000502e-04 6.48213549e-03 -6.62191892e-03] [-9.23000524e-04 6.48213549e-03 6.62191890e-03] [ 9.23000501e-04 -6.48213548e-03 6.62191890e-03] [ 1.27689803e-11 -2.12590223e-11 2.75057754e-11] [-1.65389859e-11 -1.14545767e-11 3.47023708e-12] [ 6.37734310e-12 5.85824696e-03 -7.93464358e-03] [ 1.27467342e-11 -5.85824696e-03 -7.93464359e-03] [ 5.89426077e-12 5.85824697e-03 7.93464360e-03] [-3.27064764e-13 -5.85824695e-03 7.93464359e-03] [ 5.21277519e-03 -2.24368302e-11 -1.84071019e-03] [ 5.21277515e-03 -1.43101208e-11 1.84071017e-03] [-5.21277518e-03 -1.73903530e-11 -1.84071020e-03] [-5.21277515e-03 -1.41568181e-11 1.84071019e-03] [-2.24801563e-03 4.68288333e-03 7.41895434e-12] [ 2.24801563e-03 4.68288332e-03 -4.12162665e-12] [-2.24801563e-03 -4.68288333e-03 -1.90600313e-12] [ 2.24801563e-03 -4.68288333e-03 -4.08752893e-13] [ 6.44589547e-12 5.85824695e-03 -7.93464358e-03] [ 2.74933158e-12 -5.85824694e-03 -7.93464358e-03] [-7.68228276e-12 5.85824698e-03 7.93464361e-03] [-1.14967528e-11 -5.85824695e-03 7.93464359e-03] [ 5.21277517e-03 -7.10988812e-12 -1.84071019e-03] [ 5.21277516e-03 -7.91167912e-13 1.84071019e-03] [-5.21277517e-03 -6.86306871e-12 -1.84071018e-03] [-5.21277517e-03 -4.63382804e-13 1.84071019e-03] [-2.24801561e-03 4.68288332e-03 1.06159149e-11] [ 2.24801561e-03 4.68288332e-03 5.91249733e-12] [-2.24801561e-03 -4.68288331e-03 1.95903705e-12] [ 2.24801559e-03 -4.68288332e-03 9.57510069e-12]] Final stress: [-7.87614097e-06 4.17403536e-04 -4.68983113e-04 5.33339809e-15 -4.22116513e-15 -1.04091039e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.43818470e-04 3.47819863e-13 4.09143205e-14] [-6.43818472e-04 6.41153797e-14 9.44799794e-14] [ 5.64847648e-14 -2.47690314e-04 7.31775751e-14] [ 1.12077014e-13 2.47690314e-04 -8.10462808e-14] [ 2.03057189e-13 -9.30215106e-14 -2.47690313e-04] [ 2.06390460e-13 2.33535413e-13 2.47690314e-04] [ 6.43818471e-04 -2.34420990e-13 3.33028298e-14] [-6.43818471e-04 1.13628291e-13 1.17771817e-13] [ 2.17792364e-13 -2.47690312e-04 2.58653645e-13] [-4.94621705e-14 2.47690316e-04 3.76745070e-13] [-2.44384808e-13 -7.95222078e-14 -2.47690316e-04] [-1.88665056e-13 3.34292813e-14 2.47690313e-04] [-3.72017532e-04 -1.40482827e-04 -1.40482828e-04] [ 3.72017533e-04 1.40482828e-04 -1.40482828e-04] [ 3.72017532e-04 -1.40482827e-04 1.40482827e-04] [-3.72017532e-04 1.40482828e-04 1.40482828e-04] [-3.72017532e-04 -1.40482827e-04 1.40482827e-04] [ 3.72017532e-04 1.40482828e-04 1.40482828e-04] [-3.72017533e-04 1.40482828e-04 -1.40482829e-04] [ 3.72017533e-04 -1.40482827e-04 -1.40482827e-04] [-3.72017532e-04 -1.40482828e-04 -1.40482828e-04] [ 3.72017532e-04 1.40482827e-04 -1.40482827e-04] [ 3.72017532e-04 -1.40482828e-04 1.40482828e-04] [-3.72017533e-04 1.40482829e-04 1.40482828e-04] [-3.72017533e-04 -1.40482828e-04 1.40482828e-04] [ 3.72017532e-04 1.40482827e-04 1.40482827e-04] [-3.72017532e-04 1.40482828e-04 -1.40482828e-04] [ 3.72017532e-04 -1.40482827e-04 -1.40482828e-04] [ 2.04145034e-12 3.79057896e-13 -1.18574595e-12] [ 6.13245565e-13 -3.80045247e-12 1.85751877e-12] [ 3.74811293e-13 -6.88227586e-05 -6.88227547e-05] [-9.02056208e-14 6.88227576e-05 -6.88227560e-05] [ 1.37954578e-12 -6.88227552e-05 6.88227578e-05] [-1.18520124e-12 6.88227557e-05 6.88227575e-05] [ 2.22173974e-04 -2.01838546e-12 -5.57537617e-04] [ 2.22173974e-04 -2.11902544e-12 5.57537617e-04] [-2.22173976e-04 -4.57731075e-13 -5.57537620e-04] [-2.22173975e-04 -6.11868195e-13 5.57537618e-04] [ 2.22173976e-04 -5.57537618e-04 9.95870053e-13] [-2.22173976e-04 -5.57537619e-04 2.27741610e-12] [ 2.22173977e-04 5.57537619e-04 1.99947871e-12] [-2.22173976e-04 5.57537619e-04 2.31335784e-13] [ 4.97029501e-13 -6.88227575e-05 -6.88227564e-05] [ 7.36686753e-13 6.88227578e-05 -6.88227556e-05] [ 3.44258042e-13 -6.88227569e-05 6.88227571e-05] [ 1.49687554e-12 6.88227581e-05 6.88227552e-05] [ 2.22173977e-04 6.94852227e-13 -5.57537619e-04] [ 2.22173973e-04 -5.79602555e-13 5.57537617e-04] [-2.22173977e-04 -1.50530153e-12 -5.57537620e-04] [-2.22173974e-04 6.45175753e-13 5.57537617e-04] [ 2.22173976e-04 -5.57537620e-04 5.50745067e-13] [-2.22173973e-04 -5.57537616e-04 -2.07127650e-13] [ 2.22173975e-04 5.57537619e-04 -5.75460317e-13] [-2.22173976e-04 5.57537619e-04 -1.01799862e-12]] Final stress: [-2.23984564e-05 6.85152446e-06 6.85152445e-06 -2.36086546e-16 -1.28018761e-16 -1.08067785e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.67051692e-06 -1.50113862e-13 -6.12366061e-14] [ 4.67051687e-06 -2.51354493e-13 5.78426196e-14] [-8.26617420e-14 4.31695862e-04 -1.08561997e-04] [ 1.44273482e-13 -4.31695862e-04 1.08561997e-04] [-9.78544502e-14 -1.08368019e-04 -4.22081428e-06] [ 1.27425848e-13 1.08368019e-04 4.22081394e-06] [-4.67051685e-06 -2.27504647e-14 -8.45212098e-14] [ 4.67051716e-06 1.48850984e-13 -2.28055067e-13] [-4.84733781e-14 4.31695862e-04 -1.08561997e-04] [-1.38028478e-13 -4.31695862e-04 1.08561997e-04] [-1.46716406e-13 -1.08368019e-04 -4.22081451e-06] [ 1.50518487e-13 1.08368019e-04 4.22081395e-06] [ 3.88557343e-04 -5.64136541e-05 1.41720766e-04] [ 1.01385163e-04 5.28481872e-05 1.45833693e-04] [ 1.01385163e-04 -5.28481866e-05 -1.45833692e-04] [ 3.88557343e-04 5.64136541e-05 -1.41720766e-04] [-1.01385162e-04 -5.28481871e-05 -1.45833692e-04] [-3.88557343e-04 5.64136537e-05 -1.41720766e-04] [-1.01385163e-04 5.28481869e-05 1.45833693e-04] [-3.88557343e-04 -5.64136541e-05 1.41720766e-04] [ 3.88557343e-04 -5.64136539e-05 1.41720766e-04] [ 1.01385163e-04 5.28481869e-05 1.45833693e-04] [ 1.01385163e-04 -5.28481869e-05 -1.45833692e-04] [ 3.88557343e-04 5.64136539e-05 -1.41720766e-04] [-1.01385163e-04 -5.28481871e-05 -1.45833693e-04] [-3.88557343e-04 5.64136539e-05 -1.41720766e-04] [-1.01385162e-04 5.28481870e-05 1.45833693e-04] [-3.88557343e-04 -5.64136540e-05 1.41720766e-04] [-1.35280676e-13 2.65065747e-14 1.97897254e-14] [-6.00507491e-13 4.88690377e-13 2.00981661e-13] [-1.05804254e-13 4.01365466e-04 4.04193066e-04] [-2.23186053e-13 2.84837129e-04 -2.81977780e-04] [ 1.63313807e-13 -2.84837127e-04 2.81977783e-04] [-1.53727725e-13 -4.01365467e-04 -4.04193065e-04] [ 2.32475388e-04 3.21888029e-04 2.32592696e-04] [ 2.32475388e-04 -3.21888030e-04 -2.32592696e-04] [-2.32475388e-04 3.21888029e-04 2.32592696e-04] [-2.32475387e-04 -3.21888029e-04 -2.32592697e-04] [ 6.09770030e-05 5.82503766e-05 3.21400541e-04] [-6.09770042e-05 5.82503754e-05 3.21400541e-04] [ 6.09770027e-05 -5.82503763e-05 -3.21400540e-04] [-6.09770031e-05 -5.82503762e-05 -3.21400541e-04] [-2.77296415e-13 4.01365468e-04 4.04193064e-04] [ 4.49873212e-13 2.84837127e-04 -2.81977783e-04] [ 6.65656766e-14 -2.84837126e-04 2.81977784e-04] [-4.72655769e-14 -4.01365468e-04 -4.04193064e-04] [ 2.32475387e-04 3.21888030e-04 2.32592697e-04] [ 2.32475386e-04 -3.21888030e-04 -2.32592698e-04] [-2.32475386e-04 3.21888029e-04 2.32592697e-04] [-2.32475385e-04 -3.21888030e-04 -2.32592699e-04] [ 6.09770052e-05 5.82503742e-05 3.21400541e-04] [-6.09770058e-05 5.82503740e-05 3.21400540e-04] [ 6.09770046e-05 -5.82503749e-05 -3.21400541e-04] [-6.09770049e-05 -5.82503745e-05 -3.21400541e-04]] Final stress: [ 7.65719540e-06 -1.49501889e-05 7.66157187e-06 5.81091002e-06 -2.79300875e-16 9.31002916e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.58177014e-06 9.26585197e-14 -1.63529780e-13] [ 1.58177027e-06 -8.32667268e-16 -2.88380431e-14] [-2.60728938e-15 4.33247502e-04 1.04486164e-04] [ 1.63979941e-13 -4.33247501e-04 -1.04486164e-04] [ 2.03891157e-13 1.04294537e-04 -1.13193808e-06] [ 8.16291479e-14 -1.04294537e-04 1.13193756e-06] [-1.58177070e-06 -5.27199812e-14 -7.07962512e-14] [ 1.58177050e-06 1.86797626e-13 5.49712282e-14] [-2.15370256e-14 4.33247503e-04 1.04486164e-04] [-5.43883515e-14 -4.33247501e-04 -1.04486164e-04] [-2.11402076e-13 1.04294537e-04 -1.13193864e-06] [ 2.09602301e-14 -1.04294537e-04 1.13193852e-06] [-1.04884504e-04 -5.33808035e-05 1.45808367e-04] [-3.91559450e-04 5.73994906e-05 1.41249999e-04] [-3.91559451e-04 -5.73994901e-05 -1.41250000e-04] [-1.04884504e-04 5.33808036e-05 -1.45808367e-04] [ 3.91559451e-04 -5.73994899e-05 -1.41250000e-04] [ 1.04884504e-04 5.33808036e-05 -1.45808367e-04] [ 3.91559451e-04 5.73994900e-05 1.41249999e-04] [ 1.04884504e-04 -5.33808035e-05 1.45808367e-04] [-1.04884504e-04 -5.33808035e-05 1.45808367e-04] [-3.91559451e-04 5.73994905e-05 1.41250000e-04] [-3.91559451e-04 -5.73994906e-05 -1.41250000e-04] [-1.04884504e-04 5.33808040e-05 -1.45808367e-04] [ 3.91559451e-04 -5.73994908e-05 -1.41250000e-04] [ 1.04884504e-04 5.33808036e-05 -1.45808367e-04] [ 3.91559451e-04 5.73994906e-05 1.41250000e-04] [ 1.04884504e-04 -5.33808042e-05 1.45808367e-04] [ 3.77087250e-13 -2.55684363e-13 4.05453449e-13] [-6.93015523e-13 -1.65552133e-12 1.72786462e-13] [-8.77076189e-15 -2.83758113e-04 -2.86187626e-04] [-3.34936939e-13 -4.03897486e-04 4.01431259e-04] [ 5.79734177e-13 4.03897488e-04 -4.01431258e-04] [ 1.37593062e-13 2.83758110e-04 2.86187628e-04] [ 2.31648104e-04 -3.20119005e-04 2.31764955e-04] [ 2.31648103e-04 3.20119005e-04 -2.31764955e-04] [-2.31648103e-04 -3.20119005e-04 2.31764955e-04] [-2.31648102e-04 3.20119005e-04 -2.31764956e-04] [ 5.74910004e-05 6.00552518e-05 -3.19633121e-04] [-5.74910012e-05 6.00552506e-05 -3.19633122e-04] [ 5.74910031e-05 -6.00552494e-05 3.19633122e-04] [-5.74910027e-05 -6.00552495e-05 3.19633122e-04] [-4.33989216e-13 -2.83758113e-04 -2.86187626e-04] [ 4.22359630e-13 -4.03897487e-04 4.01431258e-04] [-1.91068515e-13 4.03897486e-04 -4.01431259e-04] [-1.26961375e-13 2.83758111e-04 2.86187628e-04] [ 2.31648105e-04 -3.20119005e-04 2.31764954e-04] [ 2.31648103e-04 3.20119005e-04 -2.31764956e-04] [-2.31648105e-04 -3.20119006e-04 2.31764954e-04] [-2.31648102e-04 3.20119004e-04 -2.31764957e-04] [ 5.74910008e-05 6.00552508e-05 -3.19633122e-04] [-5.74910009e-05 6.00552503e-05 -3.19633122e-04] [ 5.74910014e-05 -6.00552501e-05 3.19633122e-04] [-5.74910021e-05 -6.00552497e-05 3.19633122e-04]] Final stress: [ 7.68114894e-06 -1.49398110e-05 7.68555061e-06 -5.85190423e-06 -1.06400333e-16 -3.79051187e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.46026990e-05 2.44883974e-13 4.94283434e-14] [ 1.46026981e-05 7.43849426e-15 2.04003481e-14] [-2.27365869e-14 -4.43830686e-04 -6.95693570e-05] [ 2.17131868e-13 4.43830687e-04 6.95693570e-05] [-2.66891544e-14 -6.97185739e-05 -1.41535789e-05] [ 6.48925358e-14 6.97185739e-05 1.41535783e-05] [-1.46026992e-05 -1.75100386e-13 -2.84027539e-13] [ 1.46026986e-05 3.58719131e-14 -5.12185749e-14] [-5.17108058e-14 -4.43830686e-04 -6.95693569e-05] [-1.84420621e-13 4.43830687e-04 6.95693570e-05] [-8.30689684e-14 -6.97185742e-05 -1.41535785e-05] [-1.81306792e-13 6.97185743e-05 1.41535787e-05] [ 1.19530315e-04 4.05551120e-05 -1.59199748e-04] [ 4.15531902e-04 -6.38227268e-05 -1.36403747e-04] [ 4.15531902e-04 6.38227273e-05 1.36403747e-04] [ 1.19530314e-04 -4.05551116e-05 1.59199748e-04] [-4.15531902e-04 6.38227272e-05 1.36403747e-04] [-1.19530314e-04 -4.05551115e-05 1.59199749e-04] [-4.15531902e-04 -6.38227273e-05 -1.36403747e-04] [-1.19530314e-04 4.05551120e-05 -1.59199748e-04] [ 1.19530314e-04 4.05551117e-05 -1.59199749e-04] [ 4.15531902e-04 -6.38227271e-05 -1.36403747e-04] [ 4.15531902e-04 6.38227272e-05 1.36403747e-04] [ 1.19530314e-04 -4.05551117e-05 1.59199748e-04] [-4.15531903e-04 6.38227272e-05 1.36403747e-04] [-1.19530314e-04 -4.05551120e-05 1.59199748e-04] [-4.15531903e-04 -6.38227269e-05 -1.36403747e-04] [-1.19530314e-04 4.05551117e-05 -1.59199749e-04] [ 5.71293013e-13 2.73780998e-13 7.22089055e-13] [ 9.48776648e-14 -1.12654924e-12 -3.71039139e-13] [-5.94857497e-13 2.77645349e-04 2.75905183e-04] [-9.97845903e-13 3.98057099e-04 -3.99807522e-04] [-1.01817166e-12 -3.98057099e-04 3.99807522e-04] [-1.29113040e-12 -2.77645349e-04 -2.75905182e-04] [-2.33228259e-04 3.22489384e-04 -2.33117068e-04] [-2.33228259e-04 -3.22489384e-04 2.33117068e-04] [ 2.33228256e-04 3.22489384e-04 -2.33117072e-04] [ 2.33228258e-04 -3.22489384e-04 2.33117070e-04] [-6.20763852e-05 -6.02198738e-05 3.22947502e-04] [ 6.20763810e-05 -6.02198785e-05 3.22947503e-04] [-6.20763830e-05 6.02198753e-05 -3.22947502e-04] [ 6.20763801e-05 6.02198787e-05 -3.22947503e-04] [ 1.27748897e-12 2.77645350e-04 2.75905182e-04] [ 1.57662295e-12 3.98057097e-04 -3.99807524e-04] [ 1.36011905e-12 -3.98057098e-04 3.99807523e-04] [ 2.08920251e-12 -2.77645351e-04 -2.75905180e-04] [-2.33228257e-04 3.22489384e-04 -2.33117070e-04] [-2.33228258e-04 -3.22489384e-04 2.33117070e-04] [ 2.33228261e-04 3.22489383e-04 -2.33117066e-04] [ 2.33228261e-04 -3.22489385e-04 2.33117066e-04] [-6.20763803e-05 -6.02198791e-05 3.22947503e-04] [ 6.20763820e-05 -6.02198770e-05 3.22947502e-04] [-6.20763800e-05 6.02198790e-05 -3.22947502e-04] [ 6.20763815e-05 6.02198770e-05 -3.22947503e-04]] Final stress: [-7.83708653e-06 1.46377785e-05 -7.83282325e-06 6.22932416e-06 -2.04494381e-16 -3.27523521e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.02250824e-06 1.04204839e-14 -4.64671704e-14] [ 4.02250810e-06 -4.36595204e-14 -1.86656246e-13] [-9.23761935e-14 -4.39916502e-04 6.71117861e-05] [ 1.60982339e-15 4.39916502e-04 -6.71117863e-05] [ 8.52191581e-14 6.72536199e-05 -3.57088218e-06] [ 1.09301457e-13 -6.72536201e-05 3.57088178e-06] [-4.02250825e-06 -9.72000258e-14 2.79622196e-14] [ 4.02250823e-06 1.76044509e-13 -1.37830822e-13] [-1.10219559e-13 -4.39916502e-04 6.71117860e-05] [-2.86326518e-13 4.39916502e-04 -6.71117863e-05] [-1.27351255e-13 6.72536201e-05 -3.57088178e-06] [ 6.02092161e-14 -6.72536203e-05 3.57088186e-06] [-4.14791762e-04 6.59381110e-05 -1.33053593e-04] [-1.17309027e-04 -3.44953637e-05 -1.64025478e-04] [-1.17309027e-04 3.44953636e-05 1.64025478e-04] [-4.14791762e-04 -6.59381107e-05 1.33053593e-04] [ 1.17309027e-04 3.44953636e-05 1.64025478e-04] [ 4.14791762e-04 -6.59381105e-05 1.33053593e-04] [ 1.17309027e-04 -3.44953634e-05 -1.64025478e-04] [ 4.14791762e-04 6.59381111e-05 -1.33053593e-04] [-4.14791763e-04 6.59381111e-05 -1.33053593e-04] [-1.17309027e-04 -3.44953637e-05 -1.64025478e-04] [-1.17309027e-04 3.44953636e-05 1.64025478e-04] [-4.14791763e-04 -6.59381104e-05 1.33053593e-04] [ 1.17309027e-04 3.44953635e-05 1.64025478e-04] [ 4.14791762e-04 -6.59381108e-05 1.33053593e-04] [ 1.17309027e-04 -3.44953635e-05 -1.64025478e-04] [ 4.14791762e-04 6.59381110e-05 -1.33053593e-04] [ 1.02751141e-13 3.07254222e-14 9.38416012e-14] [ 4.89252736e-14 -8.05992218e-13 -4.93593940e-13] [ 3.22519789e-13 -3.89440364e-04 -4.02886099e-04] [-1.29111305e-12 -2.77353821e-04 2.63895332e-04] [ 7.01196046e-13 2.77353820e-04 -2.63895333e-04] [-7.25610544e-13 3.89440362e-04 4.02886100e-04] [-2.34308275e-04 -3.32696532e-04 -2.34198249e-04] [-2.34308275e-04 3.32696530e-04 2.34198249e-04] [ 2.34308275e-04 -3.32696531e-04 -2.34198249e-04] [ 2.34308275e-04 3.32696531e-04 2.34198249e-04] [-6.96195788e-05 -5.60574330e-05 -3.33152325e-04] [ 6.96195769e-05 -5.60574354e-05 -3.33152325e-04] [-6.96195786e-05 5.60574331e-05 3.33152326e-04] [ 6.96195770e-05 5.60574354e-05 3.33152326e-04] [ 8.18420852e-14 -3.89440364e-04 -4.02886098e-04] [ 2.99765855e-13 -2.77353818e-04 2.63895336e-04] [ 3.84827586e-13 2.77353817e-04 -2.63895336e-04] [ 6.81697754e-13 3.89440365e-04 4.02886097e-04] [-2.34308272e-04 -3.32696531e-04 -2.34198252e-04] [-2.34308272e-04 3.32696532e-04 2.34198252e-04] [ 2.34308272e-04 -3.32696532e-04 -2.34198251e-04] [ 2.34308274e-04 3.32696531e-04 2.34198250e-04] [-6.96195802e-05 -5.60574320e-05 -3.33152325e-04] [ 6.96195815e-05 -5.60574307e-05 -3.33152324e-04] [-6.96195805e-05 5.60574317e-05 3.33152325e-04] [ 6.96195788e-05 5.60574335e-05 3.33152325e-04]] Final stress: [-7.80082114e-06 1.46628958e-05 -7.79660280e-06 -6.26160976e-06 3.32511189e-18 -1.49630035e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.92645296e-06 -1.28652297e-13 -8.85895778e-05] [-9.92645458e-06 2.33618680e-13 8.85895777e-05] [ 2.09989578e-13 4.37221983e-04 5.26913582e-14] [-1.25455202e-14 -4.37221982e-04 7.87980792e-14] [-8.85895782e-05 -7.31185945e-15 9.92645271e-06] [ 8.85895779e-05 -1.69142478e-13 -9.92645409e-06] [ 9.92645390e-06 2.63922131e-13 -8.85895779e-05] [-9.92645355e-06 -1.29755581e-13 8.85895782e-05] [-2.02034570e-13 4.37221983e-04 -1.52012763e-13] [-1.70354182e-14 -4.37221983e-04 -3.79856792e-13] [-8.85895779e-05 -8.57361217e-14 9.92645395e-06] [ 8.85895778e-05 1.56007777e-13 -9.92645353e-06] [ 1.38836164e-04 2.02565360e-04 1.38836164e-04] [-1.46144982e-04 3.18538427e-04 1.46144982e-04] [-1.38836163e-04 2.02565359e-04 -1.38836164e-04] [ 1.46144982e-04 3.18538428e-04 -1.46144983e-04] [ 1.46144982e-04 -3.18538427e-04 -1.46144983e-04] [-1.38836164e-04 -2.02565360e-04 -1.38836164e-04] [ 1.38836164e-04 -2.02565359e-04 1.38836164e-04] [-1.46144983e-04 -3.18538427e-04 1.46144982e-04] [ 1.38836164e-04 2.02565359e-04 1.38836164e-04] [-1.46144983e-04 3.18538428e-04 1.46144982e-04] [-1.38836164e-04 2.02565360e-04 -1.38836164e-04] [ 1.46144983e-04 3.18538428e-04 -1.46144982e-04] [ 1.46144983e-04 -3.18538427e-04 -1.46144982e-04] [-1.38836164e-04 -2.02565360e-04 -1.38836164e-04] [ 1.38836163e-04 -2.02565359e-04 1.38836164e-04] [-1.46144983e-04 -3.18538427e-04 1.46144983e-04] [ 1.69350645e-12 -8.02691247e-13 1.24092403e-12] [-5.08757966e-13 -4.85460880e-14 -3.87754909e-13] [ 3.13779328e-04 5.43267180e-05 5.63670189e-05] [ 3.13779329e-04 -5.43267173e-05 5.63670199e-05] [-3.13779330e-04 5.43267154e-05 -5.63670211e-05] [-3.13779329e-04 -5.43267146e-05 -5.63670226e-05] [ 5.74686896e-04 1.65423231e-13 5.74686900e-04] [-1.16053321e-04 1.41801328e-12 1.16053319e-04] [ 1.16053320e-04 -9.31260277e-13 -1.16053320e-04] [-5.74686898e-04 -1.14753693e-13 -5.74686897e-04] [ 5.63670220e-05 5.43267143e-05 3.13779328e-04] [-5.63670218e-05 5.43267146e-05 -3.13779328e-04] [ 5.63670241e-05 -5.43267132e-05 3.13779327e-04] [-5.63670234e-05 -5.43267134e-05 -3.13779328e-04] [ 3.13779329e-04 5.43267142e-05 5.63670229e-05] [ 3.13779328e-04 -5.43267163e-05 5.63670208e-05] [-3.13779327e-04 5.43267138e-05 -5.63670227e-05] [-3.13779328e-04 -5.43267139e-05 -5.63670232e-05] [ 5.74686899e-04 -1.18864512e-12 5.74686897e-04] [-1.16053318e-04 -6.91567463e-13 1.16053322e-04] [ 1.16053320e-04 -4.27598495e-13 -1.16053320e-04] [-5.74686901e-04 -1.11560977e-12 -5.74686896e-04] [ 5.63670215e-05 5.43267156e-05 3.13779329e-04] [-5.63670210e-05 5.43267160e-05 -3.13779328e-04] [ 5.63670221e-05 -5.43267152e-05 3.13779329e-04] [-5.63670195e-05 -5.43267176e-05 -3.13779328e-04]] Final stress: [ 7.75256794e-06 -1.48604833e-05 7.75256794e-06 3.94013734e-16 6.02479161e-06 -2.27763213e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.03547163e-05 4.54653676e-14 8.74229058e-05] [-1.03547163e-05 -1.62647673e-13 -8.74229057e-05] [-5.20174182e-14 4.37425308e-04 4.36525815e-14] [ 1.70918835e-13 -4.37425308e-04 -1.25677246e-13] [ 8.74229057e-05 4.37054906e-14 1.03547166e-05] [-8.74229056e-05 2.90323321e-14 -1.03547166e-05] [ 1.03547165e-05 -5.16019519e-14 8.74229057e-05] [-1.03547159e-05 -1.68584764e-14 -8.74229057e-05] [-1.01091444e-13 4.37425309e-04 -9.13092271e-14] [-2.23382510e-13 -4.37425308e-04 -1.75668115e-13] [ 8.74229059e-05 1.57923678e-13 1.03547159e-05] [-8.74229059e-05 2.68473889e-13 -1.03547162e-05] [ 1.46312068e-04 -3.19401713e-04 1.46312068e-04] [-1.38562246e-04 -2.03210139e-04 1.38562246e-04] [-1.46312068e-04 -3.19401713e-04 -1.46312068e-04] [ 1.38562246e-04 -2.03210139e-04 -1.38562246e-04] [ 1.38562246e-04 2.03210139e-04 -1.38562246e-04] [-1.46312068e-04 3.19401713e-04 -1.46312067e-04] [ 1.46312068e-04 3.19401713e-04 1.46312068e-04] [-1.38562246e-04 2.03210139e-04 1.38562246e-04] [ 1.46312068e-04 -3.19401713e-04 1.46312068e-04] [-1.38562246e-04 -2.03210139e-04 1.38562246e-04] [-1.46312068e-04 -3.19401713e-04 -1.46312068e-04] [ 1.38562246e-04 -2.03210139e-04 -1.38562246e-04] [ 1.38562246e-04 2.03210139e-04 -1.38562246e-04] [-1.46312068e-04 3.19401713e-04 -1.46312068e-04] [ 1.46312068e-04 3.19401714e-04 1.46312068e-04] [-1.38562246e-04 2.03210139e-04 1.38562246e-04] [ 9.30366895e-14 8.25450819e-14 -3.07004422e-13] [-6.37229419e-13 -5.76396945e-13 -2.99879502e-13] [-3.13679119e-04 5.42016978e-05 5.61423042e-05] [-3.13679119e-04 -5.42016984e-05 5.61423037e-05] [ 3.13679118e-04 5.42016988e-05 -5.61423034e-05] [ 3.13679117e-04 -5.42016984e-05 -5.61423040e-05] [-1.16202043e-04 -8.25672863e-13 -1.16202045e-04] [ 5.74494724e-04 -1.05941297e-13 -5.74494721e-04] [-5.74494725e-04 -8.37871439e-15 5.74494720e-04] [ 1.16202043e-04 -1.80255116e-13 1.16202046e-04] [ 5.61423004e-05 5.42017018e-05 -3.13679118e-04] [-5.61423027e-05 5.42016995e-05 3.13679119e-04] [ 5.61423020e-05 -5.42017008e-05 -3.13679119e-04] [-5.61423023e-05 -5.42017000e-05 3.13679119e-04] [-3.13679118e-04 5.42017004e-05 5.61423015e-05] [-3.13679118e-04 -5.42017010e-05 5.61423010e-05] [ 3.13679119e-04 5.42017013e-05 -5.61423009e-05] [ 3.13679120e-04 -5.42017008e-05 -5.61423015e-05] [-1.16202044e-04 1.62252807e-13 -1.16202044e-04] [ 5.74494722e-04 3.87972857e-13 -5.74494723e-04] [-5.74494722e-04 -6.85080031e-13 5.74494724e-04] [ 1.16202046e-04 -4.01842188e-13 1.16202042e-04] [ 5.61423048e-05 5.42016970e-05 -3.13679118e-04] [-5.61423033e-05 5.42016989e-05 3.13679118e-04] [ 5.61423048e-05 -5.42016972e-05 -3.13679118e-04] [-5.61423037e-05 -5.42016984e-05 3.13679118e-04]] Final stress: [ 7.75653512e-06 -1.48558991e-05 7.75653512e-06 3.27513526e-16 -6.03681327e-06 -9.31002916e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.60231241e-05 -2.36549495e-13 -1.07335399e-04] [-1.60231245e-05 -1.63563607e-13 1.07335399e-04] [ 3.29757922e-14 -4.31407504e-04 1.55773831e-14] [ 1.06414877e-13 4.31407504e-04 1.33476563e-13] [-1.07335399e-04 1.63868918e-13 1.60231242e-05] [ 1.07335399e-04 -1.91763272e-13 -1.60231248e-05] [ 1.60231240e-05 3.25841784e-13 -1.07335399e-04] [-1.60231247e-05 -2.54745877e-13 1.07335399e-04] [-7.86510614e-14 -4.31407504e-04 1.67582440e-13] [ 1.07754517e-13 4.31407504e-04 -6.13973345e-15] [-1.07335399e-04 -3.51215753e-13 1.60231244e-05] [ 1.07335399e-04 2.48120090e-13 -1.60231244e-05] [-1.59262733e-04 2.84166053e-04 -1.59262734e-04] [ 1.41854692e-04 1.92410317e-04 -1.41854692e-04] [ 1.59262733e-04 2.84166053e-04 1.59262734e-04] [-1.41854692e-04 1.92410318e-04 1.41854692e-04] [-1.41854693e-04 -1.92410317e-04 1.41854692e-04] [ 1.59262733e-04 -2.84166053e-04 1.59262733e-04] [-1.59262733e-04 -2.84166053e-04 -1.59262733e-04] [ 1.41854693e-04 -1.92410318e-04 -1.41854692e-04] [-1.59262733e-04 2.84166053e-04 -1.59262733e-04] [ 1.41854692e-04 1.92410318e-04 -1.41854693e-04] [ 1.59262733e-04 2.84166053e-04 1.59262733e-04] [-1.41854692e-04 1.92410318e-04 1.41854692e-04] [-1.41854693e-04 -1.92410317e-04 1.41854692e-04] [ 1.59262733e-04 -2.84166054e-04 1.59262733e-04] [-1.59262733e-04 -2.84166053e-04 -1.59262733e-04] [ 1.41854693e-04 -1.92410317e-04 -1.41854693e-04] [ 5.67407232e-13 -7.29971639e-15 9.89930360e-13] [ 1.15163521e-13 6.73664937e-13 6.03171798e-15] [ 3.38673981e-04 -7.63236160e-05 -6.42629696e-05] [ 3.38673982e-04 7.63236174e-05 -6.42629677e-05] [-3.38673982e-04 -7.63236160e-05 6.42629697e-05] [-3.38673982e-04 7.63236164e-05 6.42629688e-05] [ 9.30301668e-05 1.34336986e-13 9.30301756e-05] [-5.72340738e-04 9.40910544e-13 5.72340735e-04] [ 5.72340738e-04 -6.97348429e-13 -5.72340736e-04] [-9.30301718e-05 2.25855792e-13 -9.30301709e-05] [-6.42629658e-05 -7.63236191e-05 3.38673983e-04] [ 6.42629659e-05 -7.63236196e-05 -3.38673980e-04] [-6.42629657e-05 7.63236195e-05 3.38673982e-04] [ 6.42629659e-05 7.63236197e-05 -3.38673982e-04] [ 3.38673982e-04 -7.63236190e-05 -6.42629661e-05] [ 3.38673982e-04 7.63236178e-05 -6.42629673e-05] [-3.38673981e-04 -7.63236205e-05 6.42629649e-05] [-3.38673981e-04 7.63236215e-05 6.42629643e-05] [ 9.30301730e-05 -9.99539171e-14 9.30301699e-05] [-5.72340736e-04 -9.00284621e-13 5.72340738e-04] [ 5.72340734e-04 -1.36869682e-14 -5.72340739e-04] [-9.30301724e-05 -8.24305901e-13 -9.30301709e-05] [-6.42629679e-05 -7.63236178e-05 3.38673981e-04] [ 6.42629695e-05 -7.63236156e-05 -3.38673983e-04] [-6.42629681e-05 7.63236177e-05 3.38673982e-04] [ 6.42629711e-05 7.63236143e-05 -3.38673982e-04]] Final stress: [-7.65885627e-06 1.48594687e-05 -7.65885628e-06 -6.65022378e-17 5.83697212e-06 1.87868822e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.24637020e-05 -6.94496544e-14 1.15780196e-04] [-3.24637016e-05 -6.18949336e-14 -1.15780196e-04] [ 1.30342785e-14 -4.25486748e-04 -1.01437955e-13] [-1.45355949e-13 4.25486749e-04 -1.12271303e-13] [ 1.15780196e-04 1.51359827e-13 3.24637019e-05] [-1.15780196e-04 5.16253706e-15 -3.24637020e-05] [ 3.24637021e-05 2.76744339e-13 1.15780196e-04] [-3.24637019e-05 1.77683389e-14 -1.15780196e-04] [-2.27188060e-13 -4.25486748e-04 2.90680754e-13] [ 1.68548769e-13 4.25486749e-04 -1.18636749e-13] [ 1.15780196e-04 -1.54010332e-14 3.24637020e-05] [-1.15780196e-04 5.66766152e-14 -3.24637017e-05] [-1.40860867e-04 -1.86572848e-04 -1.40860867e-04] [ 1.62979436e-04 -2.72309732e-04 -1.62979436e-04] [ 1.40860866e-04 -1.86572848e-04 1.40860867e-04] [-1.62979436e-04 -2.72309732e-04 1.62979436e-04] [-1.62979436e-04 2.72309732e-04 1.62979436e-04] [ 1.40860867e-04 1.86572848e-04 1.40860866e-04] [-1.40860867e-04 1.86572848e-04 -1.40860866e-04] [ 1.62979436e-04 2.72309732e-04 -1.62979436e-04] [-1.40860866e-04 -1.86572847e-04 -1.40860866e-04] [ 1.62979436e-04 -2.72309732e-04 -1.62979436e-04] [ 1.40860867e-04 -1.86572848e-04 1.40860866e-04] [-1.62979436e-04 -2.72309732e-04 1.62979436e-04] [-1.62979436e-04 2.72309732e-04 1.62979436e-04] [ 1.40860867e-04 1.86572848e-04 1.40860867e-04] [-1.40860867e-04 1.86572848e-04 -1.40860867e-04] [ 1.62979436e-04 2.72309732e-04 -1.62979436e-04] [-6.21475094e-13 -8.42104164e-13 -2.60624855e-14] [ 3.40636807e-13 4.32297019e-13 -3.66030835e-13] [-3.50836028e-04 -8.34606346e-05 -6.49193893e-05] [-3.50836028e-04 8.34606340e-05 -6.49193895e-05] [ 3.50836028e-04 -8.34606356e-05 6.49193885e-05] [ 3.50836028e-04 8.34606347e-05 6.49193888e-05] [-5.69641988e-04 -6.80011603e-13 -5.69641987e-04] [ 8.59463680e-05 -4.37127765e-13 -8.59463709e-05] [-8.59463699e-05 -8.10209538e-13 8.59463690e-05] [ 5.69641988e-04 -1.82156373e-13 5.69641986e-04] [-6.49193913e-05 -8.34606325e-05 -3.50836029e-04] [ 6.49193909e-05 -8.34606327e-05 3.50836028e-04] [-6.49193914e-05 8.34606323e-05 -3.50836029e-04] [ 6.49193915e-05 8.34606321e-05 3.50836028e-04] [-3.50836028e-04 -8.34606337e-05 -6.49193900e-05] [-3.50836028e-04 8.34606340e-05 -6.49193894e-05] [ 3.50836029e-04 -8.34606325e-05 6.49193910e-05] [ 3.50836029e-04 8.34606336e-05 6.49193903e-05] [-5.69641989e-04 -1.75076119e-13 -5.69641985e-04] [ 8.59463678e-05 -1.87402177e-14 -8.59463712e-05] [-8.59463674e-05 -1.10662347e-14 8.59463716e-05] [ 5.69641989e-04 3.09687172e-14 5.69641986e-04] [-6.49193903e-05 -8.34606334e-05 -3.50836028e-04] [ 6.49193913e-05 -8.34606330e-05 3.50836029e-04] [-6.49193896e-05 8.34606339e-05 -3.50836027e-04] [ 6.49193898e-05 8.34606336e-05 3.50836029e-04]] Final stress: [-7.59572868e-06 1.49593273e-05 -7.59572868e-06 3.25860965e-16 -5.75833631e-06 1.13053804e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.48095567e-06 -1.05327010e-04 -2.39874093e-13] [ 3.48095444e-06 1.05327010e-04 -2.33979502e-13] [-1.05518785e-04 4.32535200e-04 2.79125681e-14] [ 1.05518785e-04 -4.32535200e-04 -3.81916720e-14] [-5.58767442e-14 -7.52158752e-14 -3.93108612e-06] [ 6.03683770e-14 1.05249143e-13 3.93108515e-06] [-3.48095560e-06 -1.05327010e-04 2.74031511e-13] [ 3.48095535e-06 1.05327011e-04 -8.40836271e-14] [-1.05518785e-04 4.32535200e-04 -5.40223931e-14] [ 1.05518785e-04 -4.32535200e-04 -7.07332895e-14] [-1.09759424e-13 -2.96761015e-13 -3.93108621e-06] [-1.90612283e-13 -4.61639921e-14 3.93108582e-06] [ 1.41002264e-04 -5.74008214e-05 3.90551924e-04] [-1.41002264e-04 5.74008219e-05 3.90551923e-04] [-1.46445217e-04 -5.24998066e-05 1.03488252e-04] [ 1.46445217e-04 5.24998067e-05 1.03488252e-04] [ 1.41002264e-04 -5.74008214e-05 -3.90551924e-04] [-1.41002264e-04 5.74008217e-05 -3.90551924e-04] [ 1.46445217e-04 5.24998070e-05 -1.03488252e-04] [-1.46445216e-04 -5.24998069e-05 -1.03488253e-04] [ 1.41002264e-04 -5.74008214e-05 3.90551923e-04] [-1.41002264e-04 5.74008214e-05 3.90551924e-04] [-1.46445217e-04 -5.24998069e-05 1.03488252e-04] [ 1.46445216e-04 5.24998072e-05 1.03488253e-04] [ 1.41002264e-04 -5.74008217e-05 -3.90551924e-04] [-1.41002264e-04 5.74008214e-05 -3.90551924e-04] [ 1.46445216e-04 5.24998074e-05 -1.03488253e-04] [-1.46445217e-04 -5.24998071e-05 -1.03488252e-04] [ 1.09576237e-12 -7.35717043e-13 6.27664587e-13] [-1.87797260e-13 -2.09463291e-13 4.82895942e-13] [ 3.21569131e-04 6.10768039e-05 5.75275665e-05] [-3.21569133e-04 -6.10768048e-05 5.75275659e-05] [ 3.21569131e-04 6.10768041e-05 -5.75275665e-05] [-3.21569132e-04 -6.10768037e-05 -5.75275670e-05] [ 2.32025625e-04 3.22055413e-04 2.31908940e-04] [ 2.32025624e-04 3.22055414e-04 -2.31908940e-04] [-2.32025627e-04 -3.22055415e-04 2.31908937e-04] [-2.32025625e-04 -3.22055415e-04 -2.31908938e-04] [ 4.00687833e-04 4.04138278e-04 4.28324043e-13] [ 2.85371648e-04 -2.81956035e-04 -8.15077172e-14] [-2.85371650e-04 2.81956033e-04 -3.67166367e-13] [-4.00687835e-04 -4.04138276e-04 -2.53878515e-13] [ 3.21569133e-04 6.10768050e-05 5.75275652e-05] [-3.21569131e-04 -6.10768058e-05 5.75275650e-05] [ 3.21569133e-04 6.10768063e-05 -5.75275636e-05] [-3.21569131e-04 -6.10768050e-05 -5.75275651e-05] [ 2.32025624e-04 3.22055414e-04 2.31908940e-04] [ 2.32025625e-04 3.22055415e-04 -2.31908939e-04] [-2.32025623e-04 -3.22055415e-04 2.31908942e-04] [-2.32025623e-04 -3.22055415e-04 -2.31908941e-04] [ 4.00687836e-04 4.04138274e-04 8.10474930e-13] [ 2.85371650e-04 -2.81956034e-04 4.29313225e-13] [-2.85371646e-04 2.81956037e-04 5.10363680e-13] [-4.00687835e-04 -4.04138276e-04 1.27522558e-13]] Final stress: [ 7.67744842e-06 -1.49538350e-05 7.67306118e-06 -5.56939245e-16 4.33913859e-16 5.84263586e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.83602570e-06 1.05708573e-04 1.21135307e-13] [-1.83602579e-06 -1.05708573e-04 -1.32061029e-13] [ 1.05903111e-04 4.34150761e-04 -3.80511594e-15] [-1.05903111e-04 -4.34150762e-04 1.09801057e-13] [-1.33267529e-13 8.01641739e-14 1.38705182e-06] [ 2.00645056e-13 -1.72722947e-13 -1.38705281e-06] [ 1.83602496e-06 1.05708573e-04 6.68833410e-15] [-1.83602565e-06 -1.05708573e-04 -9.29983826e-14] [ 1.05903111e-04 4.34150762e-04 -1.60046721e-13] [-1.05903111e-04 -4.34150761e-04 -1.16209941e-13] [ 4.25744509e-15 8.05042873e-14 1.38705235e-06] [ 5.53732407e-14 -8.56172890e-14 -1.38705216e-06] [ 1.44166315e-04 -5.53813563e-05 -1.05140729e-04] [-1.44166315e-04 5.53813562e-05 -1.05140729e-04] [-1.42489076e-04 -5.65176579e-05 -3.91414816e-04] [ 1.42489076e-04 5.65176581e-05 -3.91414816e-04] [ 1.44166314e-04 -5.53813566e-05 1.05140729e-04] [-1.44166314e-04 5.53813566e-05 1.05140730e-04] [ 1.42489076e-04 5.65176578e-05 3.91414816e-04] [-1.42489076e-04 -5.65176575e-05 3.91414816e-04] [ 1.44166314e-04 -5.53813567e-05 -1.05140730e-04] [-1.44166314e-04 5.53813566e-05 -1.05140730e-04] [-1.42489076e-04 -5.65176580e-05 -3.91414816e-04] [ 1.42489076e-04 5.65176578e-05 -3.91414816e-04] [ 1.44166314e-04 -5.53813564e-05 1.05140729e-04] [-1.44166315e-04 5.53813561e-05 1.05140729e-04] [ 1.42489076e-04 5.65176582e-05 3.91414816e-04] [-1.42489076e-04 -5.65176577e-05 3.91414815e-04] [ 4.71400696e-13 3.41005002e-13 1.08779652e-12] [ 2.80972294e-13 -8.64235370e-13 -8.86989562e-13] [-3.16365382e-04 6.14956772e-05 5.52339727e-05] [ 3.16365383e-04 -6.14956780e-05 5.52339723e-05] [-3.16365382e-04 6.14956773e-05 -5.52339728e-05] [ 3.16365383e-04 -6.14956779e-05 -5.52339722e-05] [ 2.31546098e-04 -3.16852298e-04 2.31428766e-04] [ 2.31546097e-04 -3.16852297e-04 -2.31428766e-04] [-2.31546099e-04 3.16852296e-04 2.31428765e-04] [-2.31546096e-04 3.16852297e-04 -2.31428767e-04] [-2.89872214e-04 -2.83749476e-04 9.74775816e-14] [-4.00602502e-04 4.06769454e-04 2.34342060e-13] [ 4.00602502e-04 -4.06769454e-04 -3.78133289e-13] [ 2.89872215e-04 2.83749475e-04 -3.94280095e-13] [-3.16365384e-04 6.14956749e-05 5.52339745e-05] [ 3.16365383e-04 -6.14956751e-05 5.52339749e-05] [-3.16365383e-04 6.14956770e-05 -5.52339729e-05] [ 3.16365384e-04 -6.14956755e-05 -5.52339744e-05] [ 2.31546099e-04 -3.16852296e-04 2.31428765e-04] [ 2.31546099e-04 -3.16852296e-04 -2.31428764e-04] [-2.31546100e-04 3.16852297e-04 2.31428764e-04] [-2.31546099e-04 3.16852297e-04 -2.31428764e-04] [-2.89872216e-04 -2.83749473e-04 1.11499213e-12] [-4.00602499e-04 4.06769456e-04 -1.55335780e-14] [ 4.00602500e-04 -4.06769456e-04 1.28774506e-12] [ 2.89872216e-04 2.83749474e-04 2.98235395e-13]] Final stress: [ 7.69414609e-06 -1.49342706e-05 7.68973043e-06 2.32750729e-16 -3.72401167e-16 -5.83506648e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.68652311e-06 -6.74491906e-05 2.59185035e-13] [ 3.68652275e-06 6.74491905e-05 -1.71807013e-14] [-6.73071987e-05 -4.39900892e-04 1.41743388e-13] [ 6.73071990e-05 4.39900893e-04 3.45001805e-14] [-8.38604360e-14 -1.25724084e-14 -4.13809918e-06] [ 1.04860565e-13 -4.56856775e-14 4.13809871e-06] [-3.68652190e-06 -6.74491909e-05 -1.07595740e-13] [ 3.68652327e-06 6.74491908e-05 -5.48478060e-15] [-6.73071987e-05 -4.39900892e-04 1.72079344e-13] [ 6.73071988e-05 4.39900892e-04 1.52653908e-14] [ 1.89466498e-14 8.98110439e-14 -4.13810001e-06] [-1.12050126e-13 -8.17156710e-14 4.13809915e-06] [-1.63928466e-04 3.45878817e-05 1.17226130e-04] [ 1.63928466e-04 -3.45878813e-05 1.17226130e-04] [ 1.33137439e-04 6.58501394e-05 4.14695553e-04] [-1.33137438e-04 -6.58501398e-05 4.14695553e-04] [-1.63928466e-04 3.45878816e-05 -1.17226131e-04] [ 1.63928466e-04 -3.45878813e-05 -1.17226130e-04] [-1.33137438e-04 -6.58501398e-05 -4.14695553e-04] [ 1.33137439e-04 6.58501393e-05 -4.14695554e-04] [-1.63928466e-04 3.45878817e-05 1.17226130e-04] [ 1.63928466e-04 -3.45878815e-05 1.17226130e-04] [ 1.33137438e-04 6.58501398e-05 4.14695553e-04] [-1.33137439e-04 -6.58501391e-05 4.14695553e-04] [-1.63928466e-04 3.45878817e-05 -1.17226131e-04] [ 1.63928466e-04 -3.45878816e-05 -1.17226130e-04] [-1.33137439e-04 -6.58501390e-05 -4.14695553e-04] [ 1.33137439e-04 6.58501397e-05 -4.14695553e-04] [ 1.39610545e-13 -1.00650044e-12 7.95169486e-13] [-1.70365111e-12 4.15342181e-13 6.95464484e-13] [ 3.33003000e-04 -5.56049071e-05 -7.00480896e-05] [-3.33003001e-04 5.56049073e-05 -7.00480892e-05] [ 3.33003000e-04 -5.56049080e-05 7.00480896e-05] [-3.33003001e-04 5.56049092e-05 7.00480879e-05] [-2.34245268e-04 3.32547109e-04 -2.34355355e-04] [-2.34245266e-04 3.32547109e-04 2.34355357e-04] [ 2.34245266e-04 -3.32547110e-04 -2.34355357e-04] [ 2.34245266e-04 -3.32547110e-04 2.34355358e-04] [ 2.63537567e-04 2.77877185e-04 2.82107671e-13] [ 4.03385297e-04 -3.89058745e-04 4.53624985e-13] [-4.03385297e-04 3.89058744e-04 2.24965879e-13] [-2.63537567e-04 -2.77877185e-04 6.76323580e-13] [ 3.33003001e-04 -5.56049047e-05 -7.00480919e-05] [-3.33003000e-04 5.56049052e-05 -7.00480914e-05] [ 3.33003001e-04 -5.56049056e-05 7.00480917e-05] [-3.33003000e-04 5.56049062e-05 7.00480904e-05] [-2.34245269e-04 3.32547109e-04 -2.34355355e-04] [-2.34245268e-04 3.32547110e-04 2.34355355e-04] [ 2.34245269e-04 -3.32547110e-04 -2.34355354e-04] [ 2.34245268e-04 -3.32547110e-04 2.34355355e-04] [ 2.63537570e-04 2.77877182e-04 6.81504187e-13] [ 4.03385296e-04 -3.89058746e-04 1.91301781e-14] [-4.03385295e-04 3.89058747e-04 3.42004989e-13] [-2.63537568e-04 -2.77877184e-04 -3.09712759e-13]] Final stress: [-7.79560632e-06 1.46616328e-05 -7.79982488e-06 7.36512283e-16 2.56033615e-16 6.25944092e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.44918015e-06 6.84266216e-05 1.38826884e-13] [ 7.44917969e-06 -6.84266214e-05 1.64868119e-13] [ 6.82818666e-05 -4.41305006e-04 9.17755455e-14] [-6.82818664e-05 4.41305008e-04 -2.85049762e-14] [-4.28997116e-15 4.52381188e-14 -7.89984207e-06] [ 4.51305660e-14 1.43357548e-13 7.89984124e-06] [-7.44918026e-06 6.84266213e-05 -3.29514219e-14] [ 7.44917938e-06 -6.84266212e-05 -8.38389852e-14] [ 6.82818665e-05 -4.41305006e-04 1.68669000e-13] [-6.82818667e-05 4.41305007e-04 -1.81174607e-14] [-1.79940698e-13 -2.40524961e-13 -7.89984219e-06] [-1.61740846e-13 -5.62170837e-14 7.89984140e-06] [-1.34365638e-04 6.50676967e-05 -4.14907679e-04] [ 1.34365638e-04 -6.50676968e-05 -4.14907679e-04] [ 1.62179838e-04 3.67818704e-05 -1.17960732e-04] [-1.62179838e-04 -3.67818699e-05 -1.17960732e-04] [-1.34365638e-04 6.50676965e-05 4.14907679e-04] [ 1.34365638e-04 -6.50676962e-05 4.14907679e-04] [-1.62179838e-04 -3.67818702e-05 1.17960732e-04] [ 1.62179838e-04 3.67818706e-05 1.17960732e-04] [-1.34365638e-04 6.50676968e-05 -4.14907679e-04] [ 1.34365638e-04 -6.50676966e-05 -4.14907679e-04] [ 1.62179837e-04 3.67818701e-05 -1.17960732e-04] [-1.62179838e-04 -3.67818703e-05 -1.17960732e-04] [-1.34365638e-04 6.50676969e-05 4.14907679e-04] [ 1.34365638e-04 -6.50676967e-05 4.14907679e-04] [-1.62179838e-04 -3.67818699e-05 1.17960731e-04] [ 1.62179838e-04 3.67818700e-05 1.17960732e-04] [ 3.78280740e-13 -7.68496378e-13 1.21755384e-12] [ 1.09939401e-12 -5.62475090e-13 -3.26581299e-14] [-3.29339292e-04 -5.73258756e-05 -6.71499889e-05] [ 3.29339293e-04 5.73258762e-05 -6.71499875e-05] [-3.29339291e-04 -5.73258751e-05 6.71499894e-05] [ 3.29339293e-04 5.73258760e-05 6.71499881e-05] [-2.33855848e-04 -3.28882510e-04 -2.33966352e-04] [-2.33855849e-04 -3.28882510e-04 2.33966352e-04] [ 2.33855850e-04 3.28882510e-04 -2.33966351e-04] [ 2.33855850e-04 3.28882509e-04 2.33966351e-04] [-4.02091774e-04 -3.92380419e-04 5.61883873e-13] [-2.68040955e-04 2.77756802e-04 3.89074190e-13] [ 2.68040957e-04 -2.77756800e-04 5.11828427e-13] [ 4.02091773e-04 3.92380420e-04 4.54095095e-13] [-3.29339293e-04 -5.73258752e-05 -6.71499892e-05] [ 3.29339292e-04 5.73258745e-05 -6.71499899e-05] [-3.29339293e-04 -5.73258753e-05 6.71499892e-05] [ 3.29339292e-04 5.73258738e-05 6.71499898e-05] [-2.33855850e-04 -3.28882510e-04 -2.33966350e-04] [-2.33855851e-04 -3.28882510e-04 2.33966350e-04] [ 2.33855849e-04 3.28882508e-04 -2.33966351e-04] [ 2.33855850e-04 3.28882508e-04 2.33966350e-04] [-4.02091773e-04 -3.92380421e-04 4.71873841e-13] [-2.68040957e-04 2.77756799e-04 4.42661282e-13] [ 2.68040955e-04 -2.77756801e-04 -2.63270241e-14] [ 4.02091771e-04 3.92380422e-04 4.55389199e-13]] Final stress: [-7.80868238e-06 1.46535714e-05 -7.81291652e-06 1.29679364e-16 -7.81401294e-17 -6.24690302e-06] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-6.70377584e-03 -6.94912877e-14 -4.67337974e-13] [ 6.70377584e-03 -1.45466972e-13 -2.97872838e-13] [-3.32247251e-13 -6.70377584e-03 -3.96382580e-13] [-3.57075480e-13 6.70377584e-03 -1.32560629e-13] [ 4.29594728e-13 1.04666276e-13 -7.18838162e-03] [-2.69229083e-14 -2.39502862e-13 7.18838162e-03] [-6.70377584e-03 -2.42735953e-13 -3.84252549e-13] [ 6.70377584e-03 -2.33594828e-13 -4.64973010e-13] [-4.47105894e-13 -6.70377584e-03 -2.03412581e-13] [-3.65582564e-13 6.70377584e-03 -2.25299645e-13] [ 2.34066239e-14 -3.66674189e-13 -7.18838162e-03] [ 1.79363035e-13 1.41138732e-13 7.18838162e-03] [-1.61343332e-03 -1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 -1.61343332e-03 -1.74385962e-03] [-1.61343332e-03 1.61343332e-03 -1.74385962e-03] [-1.61343332e-03 -1.61343332e-03 -1.74385962e-03] [ 1.61343332e-03 1.61343332e-03 -1.74385962e-03] [-1.61343332e-03 1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 -1.61343332e-03 1.74385962e-03] [-1.61343332e-03 -1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 -1.61343332e-03 -1.74385962e-03] [-1.61343332e-03 1.61343331e-03 -1.74385962e-03] [-1.61343332e-03 -1.61343332e-03 -1.74385962e-03] [ 1.61343332e-03 1.61343332e-03 -1.74385962e-03] [-1.61343332e-03 1.61343332e-03 1.74385962e-03] [ 1.61343332e-03 -1.61343332e-03 1.74385962e-03] [-5.54584156e-13 1.69836367e-13 -5.48949775e-13] [-1.17723539e-13 4.56850296e-13 -3.35232830e-13] [ 3.40949491e-13 1.99797692e-04 -5.53221331e-04] [ 1.01241932e-13 -1.99797692e-04 -5.53221331e-04] [-1.65287922e-13 1.99797692e-04 5.53221331e-04] [ 8.22730772e-13 -1.99797691e-04 5.53221331e-04] [ 1.99797691e-04 2.40585329e-13 -5.53221330e-04] [ 1.99797692e-04 -6.15341111e-14 5.53221330e-04] [-1.99797691e-04 1.48469778e-13 -5.53221331e-04] [-1.99797691e-04 -2.98429684e-13 5.53221331e-04] [-3.48777777e-03 -3.48777777e-03 1.16462395e-13] [ 3.48777777e-03 -3.48777777e-03 -3.27795083e-13] [-3.48777777e-03 3.48777777e-03 7.60041335e-13] [ 3.48777777e-03 3.48777777e-03 5.16944126e-13] [-3.70103254e-15 1.99797691e-04 -5.53221330e-04] [ 1.76084841e-13 -1.99797691e-04 -5.53221331e-04] [-9.13635487e-15 1.99797691e-04 5.53221330e-04] [ 3.14726543e-13 -1.99797691e-04 5.53221331e-04] [ 1.99797691e-04 -2.39683296e-13 -5.53221330e-04] [ 1.99797692e-04 -5.26448893e-13 5.53221331e-04] [-1.99797692e-04 -1.86120650e-13 -5.53221330e-04] [-1.99797692e-04 -5.23197805e-13 5.53221330e-04] [-3.48777777e-03 -3.48777777e-03 -2.40732538e-13] [ 3.48777777e-03 -3.48777777e-03 -1.35514572e-13] [-3.48777777e-03 3.48777777e-03 -3.44677659e-13] [ 3.48777777e-03 3.48777777e-03 -2.62193479e-13]] Final stress: [-4.22547225e-05 -4.22547225e-05 2.03639156e-04 -1.38160507e-15 8.31290657e-17 -1.16380692e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.12633812e-06 -1.20554608e-13 1.15985780e-13] [ 4.12633706e-06 1.47853951e-13 3.05450110e-13] [ 2.37297161e-14 -3.67659681e-06 -1.07486518e-04] [-2.83995050e-13 3.67659678e-06 1.07486517e-04] [ 2.55870845e-13 -1.07679561e-04 4.31750297e-04] [-9.53126467e-14 1.07679561e-04 -4.31750297e-04] [-4.12633687e-06 3.17693788e-13 6.94348050e-15] [ 4.12633756e-06 -1.80123711e-13 -1.61465876e-13] [-1.60263296e-13 -3.67659735e-06 -1.07486517e-04] [ 3.26687895e-13 3.67659713e-06 1.07486517e-04] [-4.97045981e-13 -1.07679561e-04 4.31750296e-04] [ 6.67894559e-14 1.07679561e-04 -4.31750297e-04] [ 3.89080111e-04 1.41536334e-04 -5.66019922e-05] [ 1.02038025e-04 -1.45888313e-04 -5.27961037e-05] [ 1.02038025e-04 1.45888313e-04 5.27961037e-05] [ 3.89080111e-04 -1.41536334e-04 5.66019922e-05] [-1.02038024e-04 1.45888314e-04 5.27961037e-05] [-3.89080111e-04 -1.41536333e-04 5.66019921e-05] [-1.02038025e-04 -1.45888314e-04 -5.27961036e-05] [-3.89080111e-04 1.41536334e-04 -5.66019926e-05] [ 3.89080111e-04 1.41536333e-04 -5.66019927e-05] [ 1.02038025e-04 -1.45888314e-04 -5.27961028e-05] [ 1.02038025e-04 1.45888314e-04 5.27961035e-05] [ 3.89080110e-04 -1.41536334e-04 5.66019924e-05] [-1.02038025e-04 1.45888313e-04 5.27961038e-05] [-3.89080111e-04 -1.41536334e-04 5.66019923e-05] [-1.02038025e-04 -1.45888313e-04 -5.27961040e-05] [-3.89080111e-04 1.41536334e-04 -5.66019918e-05] [ 1.68567937e-12 1.22124533e-15 -1.40082390e-13] [-5.95518426e-13 3.69190137e-14 8.61785888e-13] [-1.65978342e-12 4.05759710e-04 3.99491479e-04] [-4.94118635e-13 2.80513551e-04 -2.86811400e-04] [-1.25873270e-12 -2.80513552e-04 2.86811400e-04] [ 2.46098281e-13 -4.05759709e-04 -3.99491480e-04] [ 6.24923339e-05 3.21154620e-04 5.63261909e-05] [ 6.24923329e-05 -3.21154619e-04 -5.63261924e-05] [-6.24923348e-05 3.21154619e-04 5.63261896e-05] [-6.24923344e-05 -3.21154620e-04 -5.63261908e-05] [ 2.32454869e-04 2.32572230e-04 3.21641571e-04] [-2.32454870e-04 2.32572229e-04 3.21641569e-04] [ 2.32454871e-04 -2.32572229e-04 -3.21641570e-04] [-2.32454871e-04 -2.32572229e-04 -3.21641571e-04] [ 3.04811731e-13 4.05759707e-04 3.99491482e-04] [ 9.23441879e-13 2.80513553e-04 -2.86811398e-04] [ 3.20764248e-13 -2.80513553e-04 2.86811398e-04] [ 2.09829983e-13 -4.05759708e-04 -3.99491481e-04] [ 6.24923352e-05 3.21154619e-04 5.63261895e-05] [ 6.24923363e-05 -3.21154619e-04 -5.63261889e-05] [-6.24923350e-05 3.21154619e-04 5.63261894e-05] [-6.24923348e-05 -3.21154620e-04 -5.63261896e-05] [ 2.32454869e-04 2.32572230e-04 3.21641571e-04] [-2.32454868e-04 2.32572231e-04 3.21641571e-04] [ 2.32454870e-04 -2.32572230e-04 -3.21641570e-04] [-2.32454868e-04 -2.32572233e-04 -3.21641570e-04]] Final stress: [ 7.65737718e-06 7.66175765e-06 -1.49404514e-05 5.81975518e-06 9.47627968e-17 1.54612984e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.59393720e-06 1.79717352e-15 6.09091770e-14] [-6.59393767e-06 -1.81521465e-14 -2.48689958e-14] [-1.74955536e-13 7.04152955e-06 1.07516638e-04] [-9.95037386e-14 -7.04152875e-06 -1.07516638e-04] [-3.83482308e-14 1.07715575e-04 4.35774572e-04] [ 1.76691994e-13 -1.07715575e-04 -4.35774573e-04] [ 6.59393716e-06 4.38074056e-14 1.44638354e-13] [-6.59393727e-06 1.27735062e-13 1.30470860e-13] [ 4.13796601e-14 7.04152846e-06 1.07516638e-04] [ 6.59125532e-14 -7.04152958e-06 -1.07516638e-04] [ 1.59091056e-13 1.07715575e-04 4.35774572e-04] [ 3.17419702e-14 -1.07715575e-04 -4.35774573e-04] [-1.05972906e-04 1.41490424e-04 -5.86889037e-05] [-3.91526998e-04 -1.44441661e-04 -5.51956060e-05] [-3.91526998e-04 1.44441660e-04 5.51956062e-05] [-1.05972906e-04 -1.41490424e-04 5.86889028e-05] [ 3.91526998e-04 1.44441660e-04 5.51956065e-05] [ 1.05972906e-04 -1.41490424e-04 5.86889028e-05] [ 3.91526998e-04 -1.44441660e-04 -5.51956061e-05] [ 1.05972906e-04 1.41490424e-04 -5.86889035e-05] [-1.05972906e-04 1.41490424e-04 -5.86889031e-05] [-3.91526998e-04 -1.44441660e-04 -5.51956066e-05] [-3.91526998e-04 1.44441660e-04 5.51956063e-05] [-1.05972906e-04 -1.41490424e-04 5.86889034e-05] [ 3.91526998e-04 1.44441660e-04 5.51956063e-05] [ 1.05972906e-04 -1.41490424e-04 5.86889034e-05] [ 3.91526998e-04 -1.44441660e-04 -5.51956064e-05] [ 1.05972906e-04 1.41490425e-04 -5.86889034e-05] [ 2.76279000e-13 -8.67306227e-13 -1.07247544e-13] [ 6.60273919e-13 1.02404791e-12 4.78504806e-13] [ 6.86894985e-13 -2.96082540e-04 -2.83895716e-04] [ 8.15250645e-14 -3.99197481e-04 4.11440919e-04] [ 2.72197195e-13 3.99197479e-04 -4.11440920e-04] [ 4.47107629e-14 2.96082542e-04 2.83895714e-04] [ 5.14256808e-05 -3.10831974e-04 6.37584298e-05] [ 5.14256828e-05 3.10831975e-04 -6.37584284e-05] [-5.14256819e-05 -3.10831974e-04 6.37584289e-05] [-5.14256830e-05 3.10831975e-04 -6.37584280e-05] [ 2.30989066e-04 2.31107152e-04 -3.11320337e-04] [-2.30989066e-04 2.31107153e-04 -3.11320337e-04] [ 2.30989067e-04 -2.31107151e-04 3.11320338e-04] [-2.30989067e-04 -2.31107152e-04 3.11320338e-04] [ 5.11591203e-13 -2.96082544e-04 -2.83895712e-04] [-1.60497050e-13 -3.99197477e-04 4.11440922e-04] [ 1.74553514e-13 3.99197474e-04 -4.11440924e-04] [ 7.59420738e-13 2.96082545e-04 2.83895711e-04] [ 5.14256848e-05 -3.10831975e-04 6.37584262e-05] [ 5.14256864e-05 3.10831974e-04 -6.37584250e-05] [-5.14256851e-05 -3.10831975e-04 6.37584255e-05] [-5.14256867e-05 3.10831974e-04 -6.37584238e-05] [ 2.30989063e-04 2.31107155e-04 -3.11320337e-04] [-2.30989063e-04 2.31107156e-04 -3.11320337e-04] [ 2.30989063e-04 -2.31107156e-04 3.11320338e-04] [-2.30989063e-04 -2.31107156e-04 3.11320337e-04]] Final stress: [ 7.70598553e-06 7.71042731e-06 -1.49228475e-05 -5.81261382e-06 -2.06150646e-16 -1.84538078e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.10570544e-05 1.05699303e-13 1.24315922e-13] [ 1.10570538e-05 -1.38500322e-13 -2.09887663e-13] [-7.21029139e-14 -1.06070935e-05 -6.88821935e-05] [ 3.25406369e-13 1.06070943e-05 6.88821936e-05] [-1.16177033e-13 -6.87354514e-05 -4.42525846e-04] [ 8.29059044e-14 6.87354516e-05 4.42525845e-04] [-1.10570540e-05 -9.63422050e-14 3.08263537e-14] [ 1.10570539e-05 2.83731372e-13 1.29950405e-13] [ 8.01008565e-16 -1.06070934e-05 -6.88821938e-05] [ 4.74980298e-14 1.06070940e-05 6.88821936e-05] [-1.44172868e-14 -6.87354514e-05 -4.42525846e-04] [-1.05022328e-13 6.87354516e-05 4.42525846e-04] [ 1.18793457e-04 -1.60820252e-04 3.85234738e-05] [ 4.15292541e-04 1.35278865e-04 6.45362038e-05] [ 4.15292541e-04 -1.35278865e-04 -6.45362037e-05] [ 1.18793457e-04 1.60820252e-04 -3.85234740e-05] [-4.15292541e-04 -1.35278865e-04 -6.45362038e-05] [-1.18793456e-04 1.60820252e-04 -3.85234736e-05] [-4.15292541e-04 1.35278865e-04 6.45362040e-05] [-1.18793457e-04 -1.60820252e-04 3.85234737e-05] [ 1.18793456e-04 -1.60820252e-04 3.85234740e-05] [ 4.15292541e-04 1.35278865e-04 6.45362037e-05] [ 4.15292541e-04 -1.35278865e-04 -6.45362043e-05] [ 1.18793457e-04 1.60820252e-04 -3.85234739e-05] [-4.15292541e-04 -1.35278865e-04 -6.45362040e-05] [-1.18793456e-04 1.60820252e-04 -3.85234741e-05] [-4.15292541e-04 1.35278865e-04 6.45362036e-05] [-1.18793457e-04 -1.60820252e-04 3.85234741e-05] [ 2.87991853e-13 -4.95881114e-13 1.08843490e-12] [-1.58630921e-13 -1.68788647e-13 2.49997631e-13] [ 2.04614103e-13 2.71927880e-04 2.77500193e-04] [-5.90329868e-13 4.00792096e-04 -3.95217176e-04] [ 1.08971859e-13 -4.00792100e-04 3.95217172e-04] [-1.03154638e-12 -2.71927880e-04 -2.77500193e-04] [-6.45569699e-05 3.26370882e-04 -5.88725571e-05] [-6.45569708e-05 -3.26370883e-04 5.88725565e-05] [ 6.45569685e-05 3.26370882e-04 -5.88725581e-05] [ 6.45569705e-05 -3.26370882e-04 5.88725566e-05] [-2.33586240e-04 -2.33475445e-04 3.25913540e-04] [ 2.33586239e-04 -2.33475447e-04 3.25913541e-04] [-2.33586239e-04 2.33475446e-04 -3.25913542e-04] [ 2.33586238e-04 2.33475448e-04 -3.25913542e-04] [ 2.79073639e-13 2.71927884e-04 2.77500189e-04] [ 1.83798723e-13 4.00792093e-04 -3.95217179e-04] [ 6.23884625e-13 -4.00792093e-04 3.95217179e-04] [ 1.33129835e-12 -2.71927886e-04 -2.77500187e-04] [-6.45569753e-05 3.26370882e-04 -5.88725522e-05] [-6.45569735e-05 -3.26370882e-04 5.88725536e-05] [ 6.45569761e-05 3.26370882e-04 -5.88725504e-05] [ 6.45569739e-05 -3.26370882e-04 5.88725522e-05] [-2.33586235e-04 -2.33475452e-04 3.25913543e-04] [ 2.33586236e-04 -2.33475450e-04 3.25913542e-04] [-2.33586234e-04 2.33475452e-04 -3.25913540e-04] [ 2.33586233e-04 2.33475452e-04 -3.25913541e-04]] Final stress: [-7.82506011e-06 -7.82081202e-06 1.46463699e-05 6.24025556e-06 2.99260070e-17 -4.30601990e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.10533297e-06 2.07645533e-13 6.00084218e-14] [ 4.10533262e-06 2.41917597e-13 -8.24618152e-14] [ 1.15377759e-13 -3.65375008e-06 6.74350790e-05] [ 1.45466972e-13 3.65374985e-06 -6.74350789e-05] [-1.42292862e-13 6.72930978e-05 -4.39899342e-04] [-2.23709939e-14 -6.72930975e-05 4.39899342e-04] [-4.10533349e-06 3.06000884e-14 -1.62110473e-13] [ 4.10533287e-06 -2.21771820e-13 -7.72082915e-14] [-1.28242902e-13 -3.65374837e-06 6.74350794e-05] [ 2.00784701e-13 3.65374947e-06 -6.74350793e-05] [-1.47474914e-13 6.72930974e-05 -4.39899342e-04] [-2.66780088e-13 -6.72930972e-05 4.39899342e-04] [-4.14699214e-04 -1.33126824e-04 6.58606913e-05] [-1.17224809e-04 1.63944045e-04 3.45722704e-05] [-1.17224810e-04 -1.63944044e-04 -3.45722711e-05] [-4.14699214e-04 1.33126824e-04 -6.58606913e-05] [ 1.17224809e-04 -1.63944044e-04 -3.45722709e-05] [ 4.14699214e-04 1.33126824e-04 -6.58606912e-05] [ 1.17224809e-04 1.63944045e-04 3.45722703e-05] [ 4.14699214e-04 -1.33126824e-04 6.58606916e-05] [-4.14699214e-04 -1.33126824e-04 6.58606908e-05] [-1.17224810e-04 1.63944045e-04 3.45722711e-05] [-1.17224810e-04 -1.63944045e-04 -3.45722710e-05] [-4.14699214e-04 1.33126824e-04 -6.58606912e-05] [ 1.17224809e-04 -1.63944045e-04 -3.45722708e-05] [ 4.14699214e-04 1.33126824e-04 -6.58606913e-05] [ 1.17224809e-04 1.63944045e-04 3.45722711e-05] [ 4.14699214e-04 -1.33126824e-04 6.58606910e-05] [ 2.16493490e-13 5.35960165e-13 -1.71140879e-13] [ 8.37763019e-13 -9.04228486e-13 3.52382751e-13] [-8.20232771e-13 -4.03284381e-04 -3.89144698e-04] [-2.32466824e-13 -2.63610587e-04 2.77763262e-04] [-9.77936482e-13 2.63610586e-04 -2.77763263e-04] [-1.61105504e-13 4.03284384e-04 3.89144696e-04] [-6.99611235e-05 -3.33033742e-04 -5.57048416e-05] [-6.99611234e-05 3.33033743e-04 5.57048416e-05] [ 6.99611191e-05 -3.33033743e-04 -5.57048467e-05] [ 6.99611203e-05 3.33033743e-04 5.57048456e-05] [-2.34349541e-04 -2.34239466e-04 -3.32577856e-04] [ 2.34349541e-04 -2.34239466e-04 -3.32577856e-04] [-2.34349540e-04 2.34239466e-04 3.32577856e-04] [ 2.34349540e-04 2.34239466e-04 3.32577856e-04] [ 7.11834237e-13 -4.03284388e-04 -3.89144692e-04] [ 1.01491255e-12 -2.63610585e-04 2.77763265e-04] [ 1.44273222e-12 2.63610584e-04 -2.77763265e-04] [ 1.49706289e-12 4.03284387e-04 3.89144693e-04] [-6.99611186e-05 -3.33033742e-04 -5.57048462e-05] [-6.99611171e-05 3.33033741e-04 5.57048471e-05] [ 6.99611184e-05 -3.33033742e-04 -5.57048461e-05] [ 6.99611173e-05 3.33033741e-04 5.57048471e-05] [-2.34349542e-04 -2.34239465e-04 -3.32577857e-04] [ 2.34349545e-04 -2.34239461e-04 -3.32577857e-04] [-2.34349542e-04 2.34239464e-04 3.32577859e-04] [ 2.34349546e-04 2.34239460e-04 3.32577858e-04]] Final stress: [-7.79994679e-06 -7.79572836e-06 1.46620087e-05 -6.25961507e-06 -2.09482049e-16 -2.72659175e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.79943256e-06 -1.25536734e-13 -1.09388289e-04] [ 1.79943221e-06 -8.69859740e-14 1.09388289e-04] [ 6.63314889e-14 -2.24845807e-06 7.06257969e-14] [-1.02973186e-14 2.24845931e-06 1.51517687e-13] [-1.09584523e-04 -1.40425865e-15 4.32456358e-04] [ 1.09584523e-04 -9.20652443e-14 -4.32456359e-04] [-1.79943268e-06 4.18371934e-14 -1.09388288e-04] [ 1.79943271e-06 1.46515178e-13 1.09388289e-04] [ 3.39311912e-15 -2.24845984e-06 -3.36387448e-14] [ 1.85467960e-14 2.24845856e-06 -2.73282967e-14] [-1.09584523e-04 -1.86264716e-13 4.32456359e-04] [ 1.09584523e-04 9.13765946e-14 -4.32456359e-04] [ 1.42691186e-04 3.88518657e-04 -5.57415655e-05] [-1.44534089e-04 1.01674014e-04 -5.44469139e-05] [-1.42691185e-04 3.88518657e-04 5.57415658e-05] [ 1.44534088e-04 1.01674014e-04 5.44469137e-05] [ 1.44534088e-04 -1.01674015e-04 5.44469144e-05] [-1.42691186e-04 -3.88518657e-04 5.57415654e-05] [ 1.42691186e-04 -3.88518658e-04 -5.57415650e-05] [-1.44534088e-04 -1.01674015e-04 -5.44469143e-05] [ 1.42691186e-04 3.88518657e-04 -5.57415656e-05] [-1.44534088e-04 1.01674015e-04 -5.44469146e-05] [-1.42691186e-04 3.88518658e-04 5.57415655e-05] [ 1.44534088e-04 1.01674015e-04 5.44469144e-05] [ 1.44534088e-04 -1.01674014e-04 5.44469140e-05] [-1.42691186e-04 -3.88518657e-04 5.57415661e-05] [ 1.42691185e-04 -3.88518657e-04 -5.57415661e-05] [-1.44534089e-04 -1.01674014e-04 -5.44469142e-05] [ 7.29166727e-13 -1.33595912e-12 5.74928993e-13] [-1.22685282e-13 9.93475346e-13 -8.91062852e-13] [ 3.18772925e-04 5.90255954e-05 5.95188775e-05] [ 3.18772925e-04 -5.90255937e-05 5.95188797e-05] [-3.18772925e-04 5.90255971e-05 -5.95188760e-05] [-3.18772925e-04 -5.90255954e-05 -5.95188785e-05] [ 4.03390435e-04 9.81104087e-13 4.03785475e-04] [-2.85077407e-04 1.00615870e-12 2.84720282e-04] [ 2.85077408e-04 1.02820877e-12 -2.84720281e-04] [-4.03390436e-04 1.50084632e-12 -4.03785474e-04] [ 2.32394192e-04 2.32276525e-04 3.19261199e-04] [-2.32394193e-04 2.32276524e-04 -3.19261197e-04] [ 2.32394194e-04 -2.32276523e-04 3.19261199e-04] [-2.32394196e-04 -2.32276521e-04 -3.19261198e-04] [ 3.18772926e-04 5.90255944e-05 5.95188787e-05] [ 3.18772926e-04 -5.90255967e-05 5.95188759e-05] [-3.18772925e-04 5.90255937e-05 -5.95188793e-05] [-3.18772925e-04 -5.90255955e-05 -5.95188774e-05] [ 4.03390436e-04 -1.44368518e-12 4.03785474e-04] [-2.85077408e-04 -1.45541977e-12 2.84720282e-04] [ 2.85077407e-04 -1.12495430e-12 -2.84720282e-04] [-4.03390434e-04 -1.28144370e-12 -4.03785476e-04] [ 2.32394195e-04 2.32276522e-04 3.19261197e-04] [-2.32394195e-04 2.32276523e-04 -3.19261198e-04] [ 2.32394193e-04 -2.32276525e-04 3.19261198e-04] [-2.32394193e-04 -2.32276524e-04 -3.19261198e-04]] Final stress: [ 7.66911689e-06 7.66472870e-06 -1.49458500e-05 -2.47713276e-16 5.79858410e-06 -0.00000000e+00] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.62631730e-06 -1.01709006e-13 1.05072135e-04] [ 2.62631751e-06 -1.12104770e-13 -1.05072135e-04] [-1.77809156e-16 -3.07630525e-06 -1.65764104e-13] [-8.50153281e-14 3.07630587e-06 -1.58650870e-13] [ 1.05263684e-04 -6.52819812e-14 4.32593319e-04] [-1.05263684e-04 9.74498260e-14 -4.32593319e-04] [-2.62631699e-06 2.33734039e-13 1.05072135e-04] [ 2.62631780e-06 5.07775245e-14 -1.05072135e-04] [-1.94601280e-13 -3.07630543e-06 1.58640127e-13] [ 8.33881575e-14 3.07630560e-06 7.67091694e-14] [ 1.05263684e-04 -1.17877762e-13 4.32593318e-04] [-1.05263684e-04 4.06564338e-14 -4.32593320e-04] [ 1.46184552e-04 -1.03878411e-04 -5.27746526e-05] [-1.41091685e-04 -3.90771065e-04 -5.73259898e-05] [-1.46184553e-04 -1.03878411e-04 5.27746524e-05] [ 1.41091686e-04 -3.90771065e-04 5.73259891e-05] [ 1.41091686e-04 3.90771065e-04 5.73259896e-05] [-1.46184553e-04 1.03878411e-04 5.27746519e-05] [ 1.46184552e-04 1.03878411e-04 -5.27746522e-05] [-1.41091685e-04 3.90771065e-04 -5.73259898e-05] [ 1.46184553e-04 -1.03878411e-04 -5.27746520e-05] [-1.41091685e-04 -3.90771065e-04 -5.73259893e-05] [-1.46184552e-04 -1.03878411e-04 5.27746524e-05] [ 1.41091685e-04 -3.90771065e-04 5.73259895e-05] [ 1.41091685e-04 3.90771065e-04 5.73259895e-05] [-1.46184552e-04 1.03878411e-04 5.27746527e-05] [ 1.46184553e-04 1.03878411e-04 -5.27746524e-05] [-1.41091685e-04 3.90771065e-04 -5.73259895e-05] [-4.44949633e-13 -2.49800181e-13 -6.91946500e-13] [-2.31973728e-13 5.11386661e-13 1.17544924e-12] [-3.20842768e-04 5.92591950e-05 5.89084070e-05] [-3.20842767e-04 -5.92591954e-05 5.89084067e-05] [ 3.20842765e-04 5.92591973e-05 -5.89084047e-05] [ 3.20842766e-04 -5.92591970e-05 -5.89084051e-05] [-2.83897665e-04 4.66959804e-13 -2.84381505e-04] [ 4.02677460e-04 -2.65218403e-13 -4.02226876e-04] [-4.02677461e-04 -8.38981662e-13 4.02226874e-04] [ 2.83897663e-04 -5.78910184e-13 2.84381507e-04] [ 2.32058228e-04 2.31941338e-04 -3.21328823e-04] [-2.32058230e-04 2.31941336e-04 3.21328825e-04] [ 2.32058227e-04 -2.31941339e-04 -3.21328823e-04] [-2.32058229e-04 -2.31941337e-04 3.21328825e-04] [-3.20842765e-04 5.92591988e-05 5.89084033e-05] [-3.20842765e-04 -5.92591973e-05 5.89084048e-05] [ 3.20842766e-04 5.92591984e-05 -5.89084040e-05] [ 3.20842766e-04 -5.92591971e-05 -5.89084050e-05] [-2.83897664e-04 -1.37313934e-13 -2.84381506e-04] [ 4.02677459e-04 -5.94882216e-14 -4.02226875e-04] [-4.02677460e-04 -1.18901850e-13 4.02226876e-04] [ 2.83897669e-04 2.54277502e-13 2.84381502e-04] [ 2.32058231e-04 2.31941335e-04 -3.21328825e-04] [-2.32058230e-04 2.31941337e-04 3.21328825e-04] [ 2.32058232e-04 -2.31941335e-04 -3.21328825e-04] [-2.32058229e-04 -2.31941337e-04 3.21328824e-04]] Final stress: [ 7.67651242e-06 7.67212074e-06 -1.49426917e-05 -4.10638786e-16 -5.84464632e-06 -1.06400333e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.76970471e-06 -4.89126968e-14 -6.71793939e-05] [ 3.76970399e-06 3.49442697e-14 6.71793940e-05] [-1.49706636e-13 -4.22130873e-06 2.93938485e-13] [-1.18849375e-13 4.22130832e-06 2.57988075e-13] [-6.70376237e-05 1.54461947e-13 -4.39947832e-04] [ 6.70376242e-05 1.76803017e-13 4.39947829e-04] [-3.76970422e-06 -2.52406603e-14 -6.71793941e-05] [ 3.76970490e-06 -8.88412607e-14 6.71793940e-05] [-6.85913999e-14 -4.22130857e-06 -1.51162522e-13] [-2.41364654e-13 4.22130903e-06 -1.26149244e-13] [-6.70376240e-05 2.01138521e-14 -4.39947830e-04] [ 6.70376239e-05 5.46576728e-14 4.39947831e-04] [-1.63976108e-04 1.17410802e-04 3.45498519e-05] [ 1.33067115e-04 4.14857665e-04 6.59296144e-05] [ 1.63976109e-04 1.17410801e-04 -3.45498517e-05] [-1.33067115e-04 4.14857664e-04 -6.59296141e-05] [-1.33067115e-04 -4.14857664e-04 -6.59296143e-05] [ 1.63976109e-04 -1.17410801e-04 -3.45498512e-05] [-1.63976108e-04 -1.17410801e-04 3.45498518e-05] [ 1.33067114e-04 -4.14857664e-04 6.59296144e-05] [-1.63976109e-04 1.17410801e-04 3.45498514e-05] [ 1.33067115e-04 4.14857664e-04 6.59296141e-05] [ 1.63976108e-04 1.17410801e-04 -3.45498519e-05] [-1.33067114e-04 4.14857664e-04 -6.59296145e-05] [-1.33067115e-04 -4.14857664e-04 -6.59296142e-05] [ 1.63976108e-04 -1.17410802e-04 -3.45498521e-05] [-1.63976109e-04 -1.17410801e-04 3.45498517e-05] [ 1.33067115e-04 -4.14857664e-04 6.59296140e-05] [ 7.19729831e-13 5.46646062e-13 2.06340500e-12] [-7.69693337e-13 -4.73802877e-13 -6.78688718e-13] [ 3.33007000e-04 -7.00062332e-05 -5.55678331e-05] [ 3.33006999e-04 7.00062311e-05 -5.55678353e-05] [-3.33007000e-04 -7.00062343e-05 5.55678323e-05] [-3.33007001e-04 7.00062329e-05 5.55678337e-05] [ 2.63567892e-04 -1.38933309e-12 2.77902790e-04] [-4.03331900e-04 -1.70172036e-12 3.89010141e-04] [ 4.03331898e-04 -1.05630608e-12 -3.89010143e-04] [-2.63567890e-04 -4.69405764e-13 -2.77902792e-04] [-2.34203423e-04 -2.34313479e-04 3.32551256e-04] [ 2.34203422e-04 -2.34313480e-04 -3.32551257e-04] [-2.34203426e-04 2.34313476e-04 3.32551256e-04] [ 2.34203424e-04 2.34313479e-04 -3.32551257e-04] [ 3.33007000e-04 -7.00062318e-05 -5.55678353e-05] [ 3.33007000e-04 7.00062336e-05 -5.55678331e-05] [-3.33006999e-04 -7.00062297e-05 5.55678370e-05] [-3.33007000e-04 7.00062317e-05 5.55678343e-05] [ 2.63567890e-04 6.08621774e-13 2.77902791e-04] [-4.03331899e-04 5.98457915e-13 3.89010142e-04] [ 4.03331902e-04 5.95842820e-13 -3.89010139e-04] [-2.63567890e-04 1.23329645e-12 -2.77902793e-04] [-2.34203423e-04 -2.34313479e-04 3.32551258e-04] [ 2.34203424e-04 -2.34313478e-04 -3.32551255e-04] [-2.34203422e-04 2.34313480e-04 3.32551257e-04] [ 2.34203421e-04 2.34313481e-04 -3.32551256e-04]] Final stress: [-7.79649702e-06 -7.80071645e-06 1.46605263e-05 1.09728692e-16 6.26225211e-06 9.64282448e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.69793294e-06 -2.51517557e-14 6.69018065e-05] [ 3.69793213e-06 3.24990035e-13 -6.69018064e-05] [ 7.97526108e-14 -4.14959556e-06 -1.20765377e-13] [-5.31796829e-14 4.14959513e-06 -1.22346577e-13] [ 6.67602626e-05 -8.15333044e-14 -4.39984929e-04] [-6.67602627e-05 -1.21819221e-13 4.39984929e-04] [-3.69793192e-06 -1.67331426e-14 6.69018067e-05] [ 3.69793279e-06 -4.62117324e-14 -6.69018069e-05] [-2.36153978e-13 -4.14959463e-06 1.97410606e-13] [-3.06928528e-13 4.14959575e-06 -3.57811147e-14] [ 6.67602625e-05 7.84078627e-15 -4.39984929e-04] [-6.67602626e-05 -1.31222827e-13 4.39984929e-04] [-1.32966443e-04 -4.15009188e-04 6.60394777e-05] [ 1.64081890e-04 -1.17557033e-04 3.44537691e-05] [ 1.32966444e-04 -4.15009188e-04 -6.60394774e-05] [-1.64081890e-04 -1.17557033e-04 -3.44537695e-05] [-1.64081890e-04 1.17557033e-04 -3.44537698e-05] [ 1.32966444e-04 4.15009188e-04 -6.60394768e-05] [-1.32966444e-04 4.15009188e-04 6.60394774e-05] [ 1.64081890e-04 1.17557033e-04 3.44537696e-05] [-1.32966444e-04 -4.15009189e-04 6.60394770e-05] [ 1.64081890e-04 -1.17557033e-04 3.44537699e-05] [ 1.32966443e-04 -4.15009188e-04 -6.60394775e-05] [-1.64081890e-04 -1.17557033e-04 -3.44537698e-05] [-1.64081890e-04 1.17557033e-04 -3.44537694e-05] [ 1.32966443e-04 4.15009188e-04 -6.60394777e-05] [-1.32966443e-04 4.15009188e-04 6.60394773e-05] [ 1.64081890e-04 1.17557033e-04 3.44537698e-05] [ 5.65159031e-13 4.91801044e-13 3.33760797e-13] [-4.05712356e-13 -9.57261712e-13 -9.12672319e-13] [-3.33144167e-04 -6.95803555e-05 -5.59869173e-05] [-3.33144167e-04 6.95803523e-05 -5.59869210e-05] [ 3.33144165e-04 -6.95803547e-05 5.59869181e-05] [ 3.33144165e-04 6.95803520e-05 5.59869216e-05] [-4.02840822e-04 -1.04327658e-12 -3.89363821e-04] [ 2.63928524e-04 -9.71762601e-13 -2.77418385e-04] [-2.63928527e-04 -1.44131582e-12 2.77418381e-04] [ 4.02840822e-04 -6.76328785e-13 3.89363822e-04] [-2.34144669e-04 -2.34254644e-04 -3.32688558e-04] [ 2.34144667e-04 -2.34254646e-04 3.32688557e-04] [-2.34144670e-04 2.34254643e-04 -3.32688558e-04] [ 2.34144667e-04 2.34254646e-04 3.32688557e-04] [-3.33144164e-04 -6.95803490e-05 -5.59869241e-05] [-3.33144165e-04 6.95803492e-05 -5.59869237e-05] [ 3.33144167e-04 -6.95803471e-05 5.59869258e-05] [ 3.33144166e-04 6.95803476e-05 5.59869251e-05] [-4.02840826e-04 3.23221377e-13 -3.89363818e-04] [ 2.63928521e-04 1.21132770e-12 -2.77418386e-04] [-2.63928519e-04 1.10919390e-12 2.77418389e-04] [ 4.02840829e-04 1.02511619e-12 3.89363815e-04] [-2.34144664e-04 -2.34254650e-04 -3.32688558e-04] [ 2.34144666e-04 -2.34254647e-04 3.32688558e-04] [-2.34144660e-04 2.34254652e-04 -3.32688557e-04] [ 2.34144662e-04 2.34254651e-04 3.32688558e-04]] Final stress: [-7.79779418e-06 -7.80201379e-06 1.46614106e-05 3.19210741e-16 -6.26526362e-06 -4.25614322e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.01883489e-05 -8.83570048e-05 2.65950456e-14] [-1.01883488e-05 8.83570050e-05 -3.91076060e-14] [-8.83570050e-05 1.01883488e-05 1.77441395e-13] [ 8.83570048e-05 -1.01883491e-05 9.30644450e-14] [-8.47195578e-14 3.37134834e-14 4.37276878e-04] [-7.41073869e-14 -1.78523862e-13 -4.37276879e-04] [ 1.01883491e-05 -8.83570047e-05 -1.33563588e-13] [-1.01883487e-05 8.83570050e-05 1.36675261e-13] [-8.83570050e-05 1.01883487e-05 1.38627853e-13] [ 8.83570052e-05 -1.01883491e-05 -1.15154454e-13] [-7.68911844e-14 1.63477535e-14 4.37276879e-04] [-2.22700330e-13 7.39927858e-14 -4.37276878e-04] [ 1.38818647e-04 1.38818647e-04 2.02712764e-04] [-1.38818647e-04 -1.38818647e-04 2.02712764e-04] [-1.46111735e-04 1.46111735e-04 3.18768890e-04] [ 1.46111735e-04 -1.46111735e-04 3.18768890e-04] [ 1.38818647e-04 1.38818647e-04 -2.02712764e-04] [-1.38818648e-04 -1.38818647e-04 -2.02712764e-04] [ 1.46111735e-04 -1.46111735e-04 -3.18768890e-04] [-1.46111735e-04 1.46111735e-04 -3.18768890e-04] [ 1.38818647e-04 1.38818647e-04 2.02712764e-04] [-1.38818647e-04 -1.38818647e-04 2.02712764e-04] [-1.46111735e-04 1.46111735e-04 3.18768890e-04] [ 1.46111735e-04 -1.46111735e-04 3.18768890e-04] [ 1.38818647e-04 1.38818648e-04 -2.02712764e-04] [-1.38818648e-04 -1.38818647e-04 -2.02712765e-04] [ 1.46111735e-04 -1.46111735e-04 -3.18768891e-04] [-1.46111735e-04 1.46111735e-04 -3.18768891e-04] [-1.62869718e-13 5.56332758e-13 1.26740285e-12] [-4.73623744e-13 2.52929346e-14 -1.63599956e-13] [ 3.13600934e-04 5.66912732e-05 5.38527423e-05] [-3.13600935e-04 -5.66912714e-05 5.38527443e-05] [ 3.13600934e-04 5.66912718e-05 -5.38527434e-05] [-3.13600935e-04 -5.66912698e-05 -5.38527455e-05] [ 5.66912714e-05 3.13600937e-04 5.38527443e-05] [ 5.66912699e-05 3.13600937e-04 -5.38527452e-05] [-5.66912740e-05 -3.13600935e-04 5.38527415e-05] [-5.66912718e-05 -3.13600935e-04 -5.38527432e-05] [ 5.74731641e-04 5.74731645e-04 -6.33604280e-13] [ 1.16133452e-04 -1.16133448e-04 -7.56512908e-15] [-1.16133449e-04 1.16133450e-04 -8.54542132e-13] [-5.74731644e-04 -5.74731643e-04 -6.45884388e-13] [ 3.13600936e-04 5.66912705e-05 5.38527451e-05] [-3.13600935e-04 -5.66912728e-05 5.38527425e-05] [ 3.13600936e-04 5.66912721e-05 -5.38527437e-05] [-3.13600935e-04 -5.66912736e-05 -5.38527418e-05] [ 5.66912705e-05 3.13600934e-04 5.38527446e-05] [ 5.66912716e-05 3.13600934e-04 -5.38527438e-05] [-5.66912700e-05 -3.13600936e-04 5.38527452e-05] [-5.66912714e-05 -3.13600936e-04 -5.38527440e-05] [ 5.74731645e-04 5.74731642e-04 1.11080650e-12] [ 1.16133450e-04 -1.16133450e-04 9.18780782e-13] [-1.16133449e-04 1.16133450e-04 1.11837371e-12] [-5.74731641e-04 -5.74731646e-04 8.93215623e-13]] Final stress: [ 7.75307145e-06 7.75307144e-06 -1.48576113e-05 7.48127344e-16 -2.09475656e-16 6.02704410e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.04760339e-05 8.73393827e-05 -1.18947820e-13] [-1.04760344e-05 -8.73393828e-05 -1.58317803e-13] [ 8.73393827e-05 1.04760344e-05 -1.06400132e-13] [-8.73393827e-05 -1.04760338e-05 -9.47297796e-14] [-7.57623131e-14 1.06590084e-14 4.37444270e-04] [-8.32389713e-14 4.89608354e-14 -4.37444271e-04] [ 1.04760333e-05 8.73393825e-05 -1.04904321e-13] [-1.04760346e-05 -8.73393826e-05 1.07675428e-14] [ 8.73393828e-05 1.04760337e-05 1.50230838e-13] [-8.73393830e-05 -1.04760337e-05 6.82150276e-14] [-3.12688243e-14 8.10998983e-14 4.37444271e-04] [-1.76756613e-13 -1.41054438e-14 -4.37444271e-04] [ 1.46289851e-04 1.46289851e-04 -3.19491852e-04] [-1.46289851e-04 -1.46289851e-04 -3.19491852e-04] [-1.38560985e-04 1.38560985e-04 -2.03266150e-04] [ 1.38560985e-04 -1.38560985e-04 -2.03266150e-04] [ 1.46289851e-04 1.46289851e-04 3.19491851e-04] [-1.46289851e-04 -1.46289851e-04 3.19491851e-04] [ 1.38560985e-04 -1.38560985e-04 2.03266150e-04] [-1.38560985e-04 1.38560985e-04 2.03266150e-04] [ 1.46289851e-04 1.46289851e-04 -3.19491852e-04] [-1.46289851e-04 -1.46289851e-04 -3.19491851e-04] [-1.38560985e-04 1.38560985e-04 -2.03266150e-04] [ 1.38560985e-04 -1.38560985e-04 -2.03266150e-04] [ 1.46289851e-04 1.46289851e-04 3.19491852e-04] [-1.46289851e-04 -1.46289851e-04 3.19491852e-04] [ 1.38560985e-04 -1.38560985e-04 2.03266150e-04] [-1.38560985e-04 1.38560985e-04 2.03266150e-04] [ 1.24816824e-13 -4.03760358e-13 2.07917017e-13] [ 3.87421432e-13 -1.59705477e-13 3.70787750e-13] [-3.13590956e-04 5.63403011e-05 5.39365263e-05] [ 3.13590959e-04 -5.63403008e-05 5.39365263e-05] [-3.13590957e-04 5.63403018e-05 -5.39365255e-05] [ 3.13590959e-04 -5.63403016e-05 -5.39365256e-05] [ 5.63403034e-05 -3.13590958e-04 5.39365236e-05] [ 5.63403048e-05 -3.13590959e-04 -5.39365225e-05] [-5.63403018e-05 3.13590959e-04 5.39365253e-05] [-5.63403027e-05 3.13590959e-04 -5.39365247e-05] [-1.16236555e-04 -1.16236553e-04 3.72146758e-13] [-5.74524273e-04 5.74524276e-04 5.89315055e-13] [ 5.74524274e-04 -5.74524275e-04 5.35660058e-13] [ 1.16236555e-04 1.16236554e-04 5.03385528e-13] [-3.13590959e-04 5.63403033e-05 5.39365241e-05] [ 3.13590958e-04 -5.63403039e-05 5.39365234e-05] [-3.13590958e-04 5.63403023e-05 -5.39365250e-05] [ 3.13590958e-04 -5.63403025e-05 -5.39365240e-05] [ 5.63403016e-05 -3.13590958e-04 5.39365258e-05] [ 5.63403007e-05 -3.13590958e-04 -5.39365264e-05] [-5.63403023e-05 3.13590958e-04 5.39365250e-05] [-5.63403014e-05 3.13590958e-04 -5.39365257e-05] [-1.16236554e-04 -1.16236555e-04 -3.35431008e-13] [-5.74524276e-04 5.74524273e-04 -4.54131534e-13] [ 5.74524274e-04 -5.74524275e-04 -2.92880686e-13] [ 1.16236552e-04 1.16236557e-04 -6.44581610e-13]] Final stress: [ 7.75661663e-06 7.75661663e-06 -1.48544597e-05 2.16125677e-16 8.47877656e-17 -6.03760019e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.98301588e-05 -9.92924832e-05 4.42246066e-14] [-1.98301587e-05 9.92924832e-05 2.79776202e-14] [-9.92924830e-05 1.98301587e-05 9.14390091e-14] [ 9.92924836e-05 -1.98301587e-05 1.54432023e-13] [ 8.14149095e-15 3.81040685e-14 -4.30687730e-04] [ 4.68791672e-14 -2.27595720e-15 4.30687729e-04] [ 1.98301581e-05 -9.92924832e-05 -2.25981665e-13] [-1.98301579e-05 9.92924835e-05 -1.17432204e-13] [-9.92924833e-05 1.98301592e-05 -6.00880820e-14] [ 9.92924833e-05 -1.98301584e-05 -1.83054076e-13] [-1.16556938e-13 -4.55364765e-14 -4.30687729e-04] [ 3.02570469e-14 1.42293356e-13 4.30687730e-04] [-1.63186464e-04 -1.63186464e-04 2.87197497e-04] [ 1.63186464e-04 1.63186464e-04 2.87197497e-04] [ 1.38345309e-04 -1.38345309e-04 1.96492724e-04] [-1.38345309e-04 1.38345309e-04 1.96492724e-04] [-1.63186464e-04 -1.63186464e-04 -2.87197496e-04] [ 1.63186465e-04 1.63186464e-04 -2.87197496e-04] [-1.38345309e-04 1.38345308e-04 -1.96492724e-04] [ 1.38345309e-04 -1.38345308e-04 -1.96492724e-04] [-1.63186465e-04 -1.63186465e-04 2.87197496e-04] [ 1.63186465e-04 1.63186465e-04 2.87197496e-04] [ 1.38345309e-04 -1.38345309e-04 1.96492724e-04] [-1.38345309e-04 1.38345308e-04 1.96492724e-04] [-1.63186464e-04 -1.63186464e-04 -2.87197496e-04] [ 1.63186464e-04 1.63186464e-04 -2.87197496e-04] [-1.38345309e-04 1.38345309e-04 -1.96492724e-04] [ 1.38345309e-04 -1.38345309e-04 -1.96492724e-04] [-5.27355937e-15 2.00978123e-13 1.12013177e-12] [-5.12763876e-13 -6.54086425e-13 -7.78643207e-13] [ 3.44509148e-04 -6.66420414e-05 -7.39528898e-05] [-3.44509149e-04 6.66420428e-05 -7.39528884e-05] [ 3.44509148e-04 -6.66420437e-05 7.39528880e-05] [-3.44509149e-04 6.66420442e-05 7.39528876e-05] [-6.66420429e-05 3.44509149e-04 -7.39528885e-05] [-6.66420455e-05 3.44509149e-04 7.39528865e-05] [ 6.66420426e-05 -3.44509148e-04 -7.39528892e-05] [ 6.66420442e-05 -3.44509148e-04 7.39528881e-05] [ 9.07852398e-05 9.07852436e-05 -9.90763027e-13] [ 5.69365896e-04 -5.69365892e-04 -4.12947454e-13] [-5.69365894e-04 5.69365894e-04 -8.90919283e-13] [-9.07852424e-05 -9.07852420e-05 -1.40625012e-12] [ 3.44509149e-04 -6.66420453e-05 -7.39528864e-05] [-3.44509148e-04 6.66420434e-05 -7.39528891e-05] [ 3.44509148e-04 -6.66420428e-05 7.39528888e-05] [-3.44509148e-04 6.66420414e-05 7.39528906e-05] [-6.66420447e-05 3.44509149e-04 -7.39528874e-05] [-6.66420430e-05 3.44509147e-04 7.39528890e-05] [ 6.66420450e-05 -3.44509149e-04 -7.39528867e-05] [ 6.66420432e-05 -3.44509149e-04 7.39528880e-05] [ 9.07852421e-05 9.07852414e-05 1.96204449e-13] [ 5.69365895e-04 -5.69365893e-04 8.56152443e-13] [-5.69365895e-04 5.69365894e-04 1.04047070e-12] [-9.07852406e-05 -9.07852436e-05 9.58219615e-13]] Final stress: [-7.66397678e-06 -7.66397678e-06 1.48576069e-05 -1.14716360e-16 -2.46058280e-16 5.92399610e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.44387283e-05 1.09644900e-04 3.67492495e-14] [-3.44387287e-05 -1.09644899e-04 2.19824159e-13] [ 1.09644900e-04 3.44387285e-05 9.73296964e-14] [-1.09644899e-04 -3.44387278e-05 2.12246887e-13] [-1.84888996e-13 1.14998289e-13 -4.24090909e-04] [-2.19824159e-14 1.83297821e-13 4.24090908e-04] [ 3.44387285e-05 1.09644900e-04 -2.06010317e-13] [-3.44387282e-05 -1.09644900e-04 -1.42549706e-13] [ 1.09644899e-04 3.44387289e-05 -3.01503749e-14] [-1.09644899e-04 -3.44387282e-05 -1.72806545e-14] [-2.49813191e-14 -7.00159609e-14 -4.24090910e-04] [-2.26971220e-13 -1.98401265e-14 4.24090909e-04] [-1.38172650e-04 -1.38172650e-04 -1.89711664e-04] [ 1.38172650e-04 1.38172650e-04 -1.89711665e-04] [ 1.65640042e-04 -1.65640042e-04 -2.74310204e-04] [-1.65640042e-04 1.65640042e-04 -2.74310204e-04] [-1.38172650e-04 -1.38172650e-04 1.89711664e-04] [ 1.38172650e-04 1.38172650e-04 1.89711665e-04] [-1.65640042e-04 1.65640042e-04 2.74310205e-04] [ 1.65640042e-04 -1.65640042e-04 2.74310204e-04] [-1.38172651e-04 -1.38172651e-04 -1.89711665e-04] [ 1.38172650e-04 1.38172650e-04 -1.89711665e-04] [ 1.65640042e-04 -1.65640042e-04 -2.74310205e-04] [-1.65640042e-04 1.65640042e-04 -2.74310205e-04] [-1.38172650e-04 -1.38172650e-04 1.89711664e-04] [ 1.38172650e-04 1.38172650e-04 1.89711664e-04] [-1.65640043e-04 1.65640043e-04 2.74310205e-04] [ 1.65640042e-04 -1.65640042e-04 2.74310205e-04] [ 5.30325783e-13 -7.38770156e-13 1.39985246e-12] [-1.13879392e-12 -5.85568071e-13 5.83508140e-13] [-3.54487058e-04 -7.66753905e-05 -7.09527100e-05] [ 3.54487059e-04 7.66753899e-05 -7.09527102e-05] [-3.54487058e-04 -7.66753921e-05 7.09527088e-05] [ 3.54487059e-04 7.66753916e-05 7.09527091e-05] [-7.66753912e-05 -3.54487058e-04 -7.09527091e-05] [-7.66753933e-05 -3.54487058e-04 7.09527074e-05] [ 7.66753905e-05 3.54487057e-04 -7.09527103e-05] [ 7.66753919e-05 3.54487057e-04 7.09527095e-05] [-5.68050641e-04 -5.68050645e-04 -5.94191363e-13] [-8.37373335e-05 8.37373311e-05 -2.42193418e-13] [ 8.37373327e-05 -8.37373317e-05 -8.24881830e-13] [ 5.68050644e-04 5.68050643e-04 -4.33028613e-13] [-3.54487058e-04 -7.66753921e-05 -7.09527092e-05] [ 3.54487058e-04 7.66753930e-05 -7.09527072e-05] [-3.54487058e-04 -7.66753903e-05 7.09527105e-05] [ 3.54487058e-04 7.66753919e-05 7.09527078e-05] [-7.66753916e-05 -3.54487058e-04 -7.09527087e-05] [-7.66753908e-05 -3.54487058e-04 7.09527094e-05] [ 7.66753911e-05 3.54487059e-04 -7.09527097e-05] [ 7.66753897e-05 3.54487058e-04 7.09527109e-05] [-5.68050644e-04 -5.68050643e-04 5.62111009e-13] [-8.37373311e-05 8.37373325e-05 9.08025740e-13] [ 8.37373330e-05 -8.37373311e-05 7.51195543e-13] [ 5.68050645e-04 5.68050642e-04 9.16904139e-13]] Final stress: [-7.58111013e-06 -7.58111013e-06 1.49167655e-05 -3.05910294e-16 -3.69087420e-16 -5.82361041e-06] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-7.36181221e-04 -2.18089435e-14 5.59955728e-14] [ 7.36181221e-04 3.99957845e-14 2.71171974e-14] [-4.26546819e-14 -4.89909105e-04 -7.32859953e-14] [ 6.71684930e-14 4.89909105e-04 -7.71049891e-14] [-3.93756208e-14 -1.64768373e-14 -4.89909105e-04] [ 6.24222896e-14 -1.15157883e-13 4.89909105e-04] [-7.36181221e-04 -7.79476310e-14 -2.20453626e-14] [ 7.36181221e-04 4.26759322e-14 1.16381094e-15] [ 5.07753561e-15 -4.89909105e-04 -6.05221594e-14] [ 1.98929415e-14 4.89909105e-04 -4.61565498e-14] [ 1.25805182e-13 -3.05470779e-14 -4.89909105e-04] [ 2.98298712e-14 -5.93276275e-14 4.89909105e-04] [ 1.37885509e-04 -1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 -1.88446929e-04 1.88446928e-04] [ 1.37885509e-04 1.88446929e-04 1.88446929e-04] [ 1.37885509e-04 -1.88446929e-04 1.88446929e-04] [-1.37885509e-04 1.88446929e-04 1.88446929e-04] [ 1.37885509e-04 1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 -1.88446929e-04 -1.88446929e-04] [ 1.37885509e-04 -1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 -1.88446929e-04 1.88446929e-04] [ 1.37885509e-04 1.88446929e-04 1.88446929e-04] [ 1.37885509e-04 -1.88446929e-04 1.88446929e-04] [-1.37885509e-04 1.88446929e-04 1.88446929e-04] [ 1.37885509e-04 1.88446929e-04 -1.88446929e-04] [-1.37885509e-04 -1.88446929e-04 -1.88446928e-04] [ 4.81559237e-14 -1.35169653e-13 1.97369898e-13] [ 8.44957784e-14 1.22865247e-13 3.30221882e-15] [-1.87516669e-13 -3.78460062e-04 -3.78460062e-04] [-3.43081466e-13 3.78460062e-04 -3.78460062e-04] [-1.26454403e-13 -3.78460062e-04 3.78460062e-04] [-8.95793856e-14 3.78460062e-04 3.78460062e-04] [-2.21110513e-04 -7.87148124e-14 6.96450318e-05] [-2.21110513e-04 1.07969189e-13 -6.96450314e-05] [ 2.21110513e-04 -8.59277927e-14 6.96450313e-05] [ 2.21110513e-04 7.48880125e-14 -6.96450314e-05] [-2.21110513e-04 6.96450317e-05 9.98090499e-14] [ 2.21110513e-04 6.96450315e-05 -4.71220285e-14] [-2.21110513e-04 -6.96450315e-05 8.25901847e-15] [ 2.21110513e-04 -6.96450315e-05 -8.62851457e-14] [ 1.40760667e-13 -3.78460062e-04 -3.78460062e-04] [ 2.34492547e-13 3.78460062e-04 -3.78460062e-04] [ 8.09022987e-14 -3.78460062e-04 3.78460062e-04] [ 1.41892140e-13 3.78460062e-04 3.78460062e-04] [-2.21110513e-04 -6.26270956e-14 6.96450315e-05] [-2.21110512e-04 -3.69574163e-14 -6.96450312e-05] [ 2.21110513e-04 -5.94298916e-14 6.96450316e-05] [ 2.21110513e-04 -1.48431614e-13 -6.96450314e-05] [-2.21110513e-04 6.96450312e-05 3.57719497e-14] [ 2.21110513e-04 6.96450316e-05 1.29135475e-13] [-2.21110513e-04 -6.96450311e-05 6.39563137e-14] [ 2.21110513e-04 -6.96450315e-05 6.62980955e-14]] Final stress: [ 2.13581921e-05 -9.66764945e-06 -9.66764946e-06 2.06157723e-16 3.32512457e-18 -5.00431248e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.81405273e-05 -3.56065004e-14 5.30787653e-13] [ 5.81405281e-05 2.40363285e-14 5.17308418e-13] [ 1.71205498e-13 -5.81405278e-05 4.69198031e-13] [ 4.81004125e-14 5.81405267e-05 8.70692407e-14] [ 4.38609652e-13 -2.99932388e-13 -9.60431165e-04] [ 5.88584737e-13 1.06858966e-13 9.60431165e-04] [-5.81405283e-05 -1.18542329e-13 3.37343902e-14] [ 5.81405280e-05 -1.04850156e-13 -5.38470347e-13] [-1.04790308e-14 -5.81405281e-05 -1.93250674e-13] [-9.95861379e-15 5.81405271e-05 -1.16828114e-13] [-6.93113102e-13 -1.92824939e-13 -9.60431165e-04] [-4.55349734e-13 -2.71871675e-13 9.60431164e-04] [ 1.77680677e-04 1.77680678e-04 3.43443915e-04] [-1.77680677e-04 -1.77680677e-04 3.43443916e-04] [-1.77680677e-04 1.77680677e-04 -3.43443916e-04] [ 1.77680677e-04 -1.77680677e-04 -3.43443915e-04] [ 1.77680677e-04 1.77680677e-04 -3.43443915e-04] [-1.77680677e-04 -1.77680677e-04 -3.43443916e-04] [ 1.77680677e-04 -1.77680678e-04 3.43443916e-04] [-1.77680677e-04 1.77680677e-04 3.43443915e-04] [ 1.77680677e-04 1.77680677e-04 3.43443915e-04] [-1.77680677e-04 -1.77680677e-04 3.43443914e-04] [-1.77680677e-04 1.77680678e-04 -3.43443916e-04] [ 1.77680676e-04 -1.77680677e-04 -3.43443916e-04] [ 1.77680677e-04 1.77680678e-04 -3.43443916e-04] [-1.77680678e-04 -1.77680677e-04 -3.43443916e-04] [ 1.77680677e-04 -1.77680677e-04 3.43443915e-04] [-1.77680677e-04 1.77680677e-04 3.43443914e-04] [ 2.69173572e-13 2.45803378e-13 1.86098359e-12] [-4.13156922e-13 4.84624246e-13 6.86053856e-13] [ 1.30662148e-12 4.32558374e-04 -2.25592696e-05] [ 4.25095723e-13 -4.32558375e-04 -2.25592706e-05] [ 5.17631077e-13 4.32558374e-04 2.25592712e-05] [ 1.99106009e-12 -4.32558372e-04 2.25592688e-05] [ 4.32558377e-04 1.47359902e-12 -2.25592729e-05] [ 4.32558373e-04 3.61044528e-13 2.25592702e-05] [-4.32558374e-04 -6.27015800e-14 -2.25592696e-05] [-4.32558371e-04 9.58608193e-13 2.25592683e-05] [ 1.50392551e-04 1.50392553e-04 9.54458734e-13] [-1.50392550e-04 1.50392552e-04 4.26417582e-13] [ 1.50392553e-04 -1.50392552e-04 4.64321290e-13] [-1.50392553e-04 -1.50392550e-04 9.65035343e-13] [-2.33889730e-13 4.32558372e-04 -2.25592688e-05] [ 2.61919826e-13 -4.32558374e-04 -2.25592716e-05] [-3.87996926e-14 4.32558374e-04 2.25592705e-05] [-1.45818080e-12 -4.32558375e-04 2.25592720e-05] [ 4.32558374e-04 -1.79085768e-12 -2.25592701e-05] [ 4.32558373e-04 6.52645906e-13 2.25592700e-05] [-4.32558374e-04 -6.75576782e-13 -2.25592709e-05] [-4.32558373e-04 -2.19052207e-14 2.25592702e-05] [ 1.50392551e-04 1.50392553e-04 1.39907461e-12] [-1.50392554e-04 1.50392550e-04 2.91903322e-12] [ 1.50392550e-04 -1.50392553e-04 8.87180523e-13] [-1.50392553e-04 -1.50392551e-04 2.29275800e-13]] Final stress: [-9.21445963e-06 -9.21445963e-06 1.45362930e-05 4.48874694e-17 3.87362236e-16 3.32499773e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.60399005e-02 -2.86454497e-12 1.04815510e-11] [-3.60399005e-02 -2.25608421e-12 5.72661363e-12] [ 6.35684083e-12 -2.92475406e-02 1.24645771e-11] [ 8.39628367e-12 2.92475406e-02 9.31943411e-12] [ 1.09243500e-11 -1.77843287e-12 2.80059137e-03] [ 8.74569861e-12 1.87433402e-12 -2.80059137e-03] [ 3.60399005e-02 -3.93723465e-12 -1.87686547e-12] [-3.60399005e-02 -2.25853320e-12 -3.55700785e-12] [ 1.84462905e-12 -2.92475406e-02 -7.42107187e-12] [-4.61844972e-13 2.92475406e-02 -2.05652280e-12] [ 2.84521105e-13 3.04947044e-12 2.80059137e-03] [ 2.26229322e-12 -4.51032734e-12 -2.80059136e-03] [ 3.93779939e-03 -4.25629065e-03 -5.39710495e-04] [-3.93779939e-03 4.25629066e-03 -5.39710498e-04] [-3.93779940e-03 -4.25629066e-03 5.39710503e-04] [ 3.93779939e-03 4.25629065e-03 5.39710504e-04] [ 3.93779939e-03 -4.25629066e-03 5.39710498e-04] [-3.93779939e-03 4.25629066e-03 5.39710501e-04] [ 3.93779939e-03 4.25629065e-03 -5.39710500e-04] [-3.93779940e-03 -4.25629066e-03 -5.39710503e-04] [ 3.93779938e-03 -4.25629066e-03 -5.39710517e-04] [-3.93779940e-03 4.25629066e-03 -5.39710517e-04] [-3.93779940e-03 -4.25629065e-03 5.39710496e-04] [ 3.93779939e-03 4.25629066e-03 5.39710491e-04] [ 3.93779938e-03 -4.25629065e-03 5.39710499e-04] [-3.93779940e-03 4.25629065e-03 5.39710485e-04] [ 3.93779938e-03 4.25629065e-03 -5.39710521e-04] [-3.93779940e-03 -4.25629066e-03 -5.39710519e-04] [ 1.82871496e-11 3.40077966e-12 3.02896874e-11] [-6.32648925e-12 -3.80322533e-12 -1.26519210e-11] [ 1.36524125e-12 1.66462885e-03 -2.49659029e-03] [ 4.35314632e-12 -1.66462885e-03 -2.49659029e-03] [ 2.91466851e-12 1.66462884e-03 2.49659029e-03] [-3.27358626e-12 -1.66462881e-03 2.49659028e-03] [-2.27797507e-03 -4.95503638e-12 1.91129686e-03] [-2.27797508e-03 -1.97766057e-11 -1.91129685e-03] [ 2.27797505e-03 -3.67293869e-12 1.91129682e-03] [ 2.27797510e-03 -1.65322547e-11 -1.91129685e-03] [-5.39442730e-03 2.90096628e-03 -9.70645786e-12] [ 5.39442730e-03 2.90096626e-03 -1.55410233e-12] [-5.39442730e-03 -2.90096627e-03 6.49869568e-12] [ 5.39442730e-03 -2.90096627e-03 -6.44680490e-13] [-3.29904376e-12 1.66462883e-03 -2.49659028e-03] [-2.46076250e-12 -1.66462882e-03 -2.49659027e-03] [ 6.83474241e-12 1.66462885e-03 2.49659029e-03] [ 1.29483538e-11 -1.66462884e-03 2.49659029e-03] [-2.27797509e-03 -7.86152584e-13 1.91129685e-03] [-2.27797507e-03 1.11483891e-12 -1.91129684e-03] [ 2.27797509e-03 -1.35849856e-11 1.91129685e-03] [ 2.27797507e-03 -1.29119025e-12 -1.91129685e-03] [-5.39442728e-03 2.90096626e-03 1.83664678e-11] [ 5.39442729e-03 2.90096627e-03 5.81572468e-12] [-5.39442729e-03 -2.90096625e-03 2.10407638e-12] [ 5.39442728e-03 -2.90096627e-03 -2.74567912e-12]] Final stress: [-2.67961296e-04 2.84867349e-04 1.53775536e-05 1.87034690e-15 8.47558087e-15 6.18627627e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.92494558e-02 -9.62409839e-13 4.41104271e-12] [ 2.92494559e-02 -3.66831565e-12 6.19385099e-12] [ 7.19255037e-12 3.60423664e-02 1.12794288e-11] [ 8.34135538e-12 -3.60423664e-02 1.07923670e-11] [ 1.09024361e-11 -1.62605606e-12 2.80078062e-03] [ 1.28459465e-11 -4.01598199e-12 -2.80078063e-03] [-2.92494558e-02 -2.66452832e-12 -2.77209233e-12] [ 2.92494559e-02 -4.55471468e-12 -1.86512190e-12] [-6.98657234e-12 3.60423664e-02 2.70033167e-12] [-2.70876767e-12 -3.60423664e-02 -4.15014040e-12] [-1.37433077e-12 -1.96247393e-12 2.80078062e-03] [-1.86270704e-13 -1.49479666e-12 -2.80078061e-03] [-4.25659070e-03 3.93809529e-03 -5.39762925e-04] [ 4.25659070e-03 -3.93809530e-03 -5.39762929e-04] [ 4.25659070e-03 3.93809529e-03 5.39762931e-04] [-4.25659070e-03 -3.93809530e-03 5.39762923e-04] [-4.25659071e-03 3.93809529e-03 5.39762924e-04] [ 4.25659071e-03 -3.93809529e-03 5.39762924e-04] [-4.25659070e-03 -3.93809530e-03 -5.39762925e-04] [ 4.25659070e-03 3.93809530e-03 -5.39762935e-04] [-4.25659071e-03 3.93809530e-03 -5.39762941e-04] [ 4.25659070e-03 -3.93809530e-03 -5.39762938e-04] [ 4.25659069e-03 3.93809530e-03 5.39762917e-04] [-4.25659071e-03 -3.93809530e-03 5.39762919e-04] [-4.25659071e-03 3.93809530e-03 5.39762918e-04] [ 4.25659070e-03 -3.93809530e-03 5.39762917e-04] [-4.25659072e-03 -3.93809530e-03 -5.39762940e-04] [ 4.25659070e-03 3.93809531e-03 -5.39762942e-04] [ 7.81880116e-12 -1.40595313e-11 2.22641350e-11] [-1.65787826e-11 9.06957360e-12 -9.35678359e-12] [-1.10154108e-11 -2.27850299e-03 1.91186370e-03] [ 9.05234221e-13 2.27850299e-03 1.91186369e-03] [-1.92901424e-12 -2.27850299e-03 -1.91186368e-03] [ 1.04562886e-12 2.27850301e-03 -1.91186369e-03] [ 1.66523446e-03 -1.02368114e-11 -2.49703491e-03] [ 1.66523443e-03 4.07393563e-12 2.49703490e-03] [-1.66523446e-03 -1.11281418e-11 -2.49703492e-03] [-1.66523442e-03 -4.23964509e-12 2.49703491e-03] [ 2.90195467e-03 -5.39557149e-03 8.48277004e-12] [-2.90195467e-03 -5.39557150e-03 4.35609708e-12] [ 2.90195468e-03 5.39557150e-03 5.91172944e-12] [-2.90195468e-03 5.39557151e-03 -7.13740872e-12] [-9.06789401e-13 -2.27850299e-03 1.91186370e-03] [-1.08414406e-12 2.27850299e-03 1.91186369e-03] [-3.90058342e-12 -2.27850297e-03 -1.91186368e-03] [-1.13958452e-12 2.27850298e-03 -1.91186368e-03] [ 1.66523442e-03 -7.03182696e-13 -2.49703490e-03] [ 1.66523442e-03 -3.16730301e-12 2.49703490e-03] [-1.66523443e-03 -5.37175296e-12 -2.49703490e-03] [-1.66523441e-03 4.72157079e-12 2.49703488e-03] [ 2.90195470e-03 -5.39557152e-03 1.07341698e-11] [-2.90195471e-03 -5.39557152e-03 7.19893094e-12] [ 2.90195470e-03 5.39557154e-03 7.45340001e-12] [-2.90195471e-03 5.39557151e-03 1.03176738e-11]] Final stress: [ 2.84882931e-04 -2.67978522e-04 1.53776192e-05 6.63017193e-15 -7.41987396e-15 5.38992413e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.53716360e-04 3.20785065e-14 1.12646004e-13] [ 4.53716358e-04 -1.03278497e-13 4.48585613e-13] [ 2.32429093e-13 -4.53716358e-04 2.93227248e-13] [ 1.97647454e-13 4.53716361e-04 -2.56544785e-13] [-9.08279528e-14 5.06995487e-13 1.86492378e-04] [-4.79116746e-13 7.70772335e-14 -1.86492381e-04] [-4.53716359e-04 1.92588567e-13 1.28874750e-13] [ 4.53716360e-04 -1.16929036e-13 -2.89623991e-13] [-3.65360520e-13 -4.53716359e-04 -5.38022712e-14] [ 2.30987104e-14 4.53716360e-04 -7.75817986e-14] [-6.77357476e-14 1.83146324e-14 1.86492377e-04] [ 4.52606702e-14 2.35887590e-13 -1.86492380e-04] [-8.35841046e-05 -8.35841044e-05 -2.86422745e-04] [ 8.35841049e-05 8.35841052e-05 -2.86422745e-04] [ 8.35841051e-05 -8.35841055e-05 2.86422745e-04] [-8.35841051e-05 8.35841051e-05 2.86422744e-04] [-8.35841047e-05 -8.35841044e-05 2.86422744e-04] [ 8.35841054e-05 8.35841054e-05 2.86422745e-04] [-8.35841046e-05 8.35841049e-05 -2.86422744e-04] [ 8.35841052e-05 -8.35841047e-05 -2.86422745e-04] [-8.35841044e-05 -8.35841056e-05 -2.86422746e-04] [ 8.35841049e-05 8.35841058e-05 -2.86422745e-04] [ 8.35841044e-05 -8.35841049e-05 2.86422744e-04] [-8.35841054e-05 8.35841053e-05 2.86422744e-04] [-8.35841053e-05 -8.35841052e-05 2.86422744e-04] [ 8.35841046e-05 8.35841054e-05 2.86422744e-04] [-8.35841059e-05 8.35841061e-05 -2.86422746e-04] [ 8.35841050e-05 -8.35841051e-05 -2.86422745e-04] [ 1.45342072e-12 -1.92934557e-12 2.42722509e-12] [-1.41919723e-12 -1.13478901e-12 1.30705384e-12] [-2.93443048e-12 -8.83656637e-05 -3.93115955e-05] [-1.67145985e-12 8.83656625e-05 -3.93115965e-05] [-8.99766373e-14 -8.83656675e-05 3.93115935e-05] [-1.45720241e-13 8.83656668e-05 3.93115938e-05] [-8.83656708e-05 -5.36459765e-13 -3.93115886e-05] [-8.83656746e-05 1.41565579e-13 3.93115862e-05] [ 8.83656655e-05 -2.61850090e-12 -3.93115955e-05] [ 8.83656705e-05 -6.71625949e-13 3.93115916e-05] [ 4.90925899e-05 4.90925901e-05 2.53697063e-12] [-4.90925925e-05 4.90925875e-05 1.74960740e-13] [ 4.90925937e-05 -4.90925874e-05 1.37969497e-13] [-4.90925948e-05 -4.90925859e-05 2.01467315e-13] [ 1.25401122e-12 -8.83656725e-05 -3.93115883e-05] [ 2.63409997e-12 8.83656696e-05 -3.93115908e-05] [ 3.09782061e-12 -8.83656690e-05 3.93115916e-05] [ 1.99960014e-12 8.83656697e-05 3.93115911e-05] [-8.83656660e-05 -1.32306644e-12 -3.93115948e-05] [-8.83656635e-05 -5.26964540e-13 3.93115975e-05] [ 8.83656651e-05 -1.65717266e-12 -3.93115947e-05] [ 8.83656669e-05 -1.11634096e-12 3.93115935e-05] [ 4.90925874e-05 4.90925913e-05 2.28543294e-12] [-4.90925844e-05 4.90925950e-05 2.65139885e-12] [ 4.90925915e-05 -4.90925889e-05 2.90610481e-12] [-4.90925857e-05 -4.90925942e-05 3.52231612e-12]] Final stress: [ 4.82531409e-06 4.82531409e-06 -1.74310252e-05 7.39840217e-16 3.32512457e-17 -5.65271177e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.37841644e-06 -1.19437880e-13 2.80201643e-13] [-9.37841944e-06 -2.20573559e-13 4.19886348e-13] [ 5.50860572e-13 -8.76562111e-04 -2.71389682e-13] [-1.80272464e-13 8.76562113e-04 2.32674990e-13] [-5.95877514e-16 1.19624796e-13 9.37841802e-06] [-3.21992433e-13 -1.93511873e-13 -9.37841771e-06] [ 9.37841769e-06 8.61630645e-13 1.24101473e-13] [-9.37841665e-06 2.42940650e-13 -4.87686506e-13] [-4.18737527e-13 -8.76562111e-04 2.45830218e-13] [ 1.27542941e-13 8.76562113e-04 -1.29919857e-13] [-4.54933400e-13 1.95226477e-14 9.37841881e-06] [-1.40324384e-13 1.75539163e-13 -9.37841817e-06] [ 1.63506406e-04 3.37663487e-04 1.63506406e-04] [-1.63506405e-04 -3.37663486e-04 1.63506405e-04] [-1.63506405e-04 3.37663486e-04 -1.63506405e-04] [ 1.63506406e-04 -3.37663486e-04 -1.63506406e-04] [ 1.63506405e-04 3.37663486e-04 -1.63506406e-04] [-1.63506405e-04 -3.37663486e-04 -1.63506406e-04] [ 1.63506405e-04 -3.37663486e-04 1.63506406e-04] [-1.63506405e-04 3.37663486e-04 1.63506405e-04] [ 1.63506406e-04 3.37663486e-04 1.63506405e-04] [-1.63506406e-04 -3.37663486e-04 1.63506406e-04] [-1.63506406e-04 3.37663487e-04 -1.63506406e-04] [ 1.63506404e-04 -3.37663485e-04 -1.63506404e-04] [ 1.63506405e-04 3.37663486e-04 -1.63506406e-04] [-1.63506406e-04 -3.37663486e-04 -1.63506405e-04] [ 1.63506405e-04 -3.37663485e-04 1.63506404e-04] [-1.63506407e-04 3.37663487e-04 1.63506406e-04] [ 3.14678839e-12 -3.17409987e-12 -1.06856191e-12] [-1.92876097e-12 -1.08305272e-12 -4.86913295e-14] [-1.78612680e-12 -1.03884022e-04 4.64389053e-04] [-1.06765291e-12 1.03884022e-04 4.64389054e-04] [ 6.26719163e-13 -1.03884021e-04 -4.64389052e-04] [-1.37626022e-13 1.03884021e-04 -4.64389053e-04] [ 1.27105187e-04 -2.07178719e-12 1.27105183e-04] [ 1.27105188e-04 9.59701069e-13 -1.27105183e-04] [-1.27105189e-04 -4.91225116e-13 1.27105180e-04] [-1.27105188e-04 -1.15472736e-12 -1.27105181e-04] [ 4.64389045e-04 -1.03884014e-04 9.20818977e-13] [-4.64389046e-04 -1.03884016e-04 1.67404285e-12] [ 4.64389045e-04 1.03884013e-04 1.30350244e-12] [-4.64389046e-04 1.03884015e-04 -1.53379913e-12] [ 2.05163360e-12 -1.03884014e-04 4.64389045e-04] [ 3.42923606e-13 1.03884015e-04 4.64389045e-04] [ 1.05004070e-12 -1.03884013e-04 -4.64389045e-04] [ 2.39593328e-12 1.03884016e-04 -4.64389046e-04] [ 1.27105183e-04 1.98144655e-13 1.27105188e-04] [ 1.27105182e-04 -1.93116421e-12 -1.27105188e-04] [-1.27105182e-04 -6.49890298e-13 1.27105188e-04] [-1.27105179e-04 8.66147432e-15 -1.27105192e-04] [ 4.64389052e-04 -1.03884022e-04 9.23276521e-13] [-4.64389051e-04 -1.03884020e-04 -4.90247837e-13] [ 4.64389053e-04 1.03884021e-04 -3.76396099e-13] [-4.64389053e-04 1.03884021e-04 1.47663002e-12]] Final stress: [-8.77495617e-06 1.53321924e-05 -8.77495618e-06 3.09224789e-16 4.95424662e-16 8.14624444e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.60472009e-02 -4.01371514e-12 7.88514219e-13] [-3.60472009e-02 -1.61418101e-12 4.47017423e-12] [ 8.50227874e-12 2.80115175e-03 4.91212886e-12] [ 8.75546857e-12 -2.80115174e-03 1.83811300e-12] [ 1.16290042e-11 -3.06827177e-12 -2.92532098e-02] [ 1.18715315e-11 -2.19810281e-12 2.92532098e-02] [ 3.60472009e-02 -3.02059636e-12 -2.39021385e-12] [-3.60472009e-02 -4.65368933e-12 -5.95009617e-13] [-6.06253762e-13 2.80115176e-03 -6.35681739e-12] [ 4.48454945e-12 -2.80115176e-03 3.38870933e-13] [ 6.73734245e-12 -7.40928732e-13 -2.92532098e-02] [ 6.25364344e-13 -6.91150186e-12 2.92532098e-02] [ 3.93867593e-03 -5.39865731e-04 -4.25717952e-03] [-3.93867593e-03 5.39865735e-04 -4.25717952e-03] [-3.93867594e-03 -5.39865736e-04 4.25717952e-03] [ 3.93867593e-03 5.39865731e-04 4.25717952e-03] [ 3.93867593e-03 -5.39865735e-04 4.25717952e-03] [-3.93867593e-03 5.39865734e-04 4.25717952e-03] [ 3.93867593e-03 5.39865733e-04 -4.25717953e-03] [-3.93867594e-03 -5.39865734e-04 -4.25717953e-03] [ 3.93867593e-03 -5.39865732e-04 -4.25717952e-03] [-3.93867593e-03 5.39865735e-04 -4.25717953e-03] [-3.93867594e-03 -5.39865728e-04 4.25717952e-03] [ 3.93867592e-03 5.39865732e-04 4.25717952e-03] [ 3.93867593e-03 -5.39865730e-04 4.25717951e-03] [-3.93867593e-03 5.39865736e-04 4.25717952e-03] [ 3.93867592e-03 5.39865730e-04 -4.25717953e-03] [-3.93867594e-03 -5.39865732e-04 -4.25717952e-03] [ 7.14817094e-13 -1.78534409e-11 1.21468668e-11] [-5.90097068e-12 1.25681863e-12 5.12794253e-13] [-1.08544285e-11 -2.49791922e-03 1.66643766e-03] [-3.09632528e-13 2.49791923e-03 1.66643766e-03] [-3.63956261e-12 -2.49791923e-03 -1.66643766e-03] [ 1.08878705e-12 2.49791926e-03 -1.66643768e-03] [-5.39784418e-03 6.22635277e-12 2.90392170e-03] [-5.39784421e-03 8.06581538e-12 -2.90392172e-03] [ 5.39784418e-03 1.89488876e-12 2.90392170e-03] [ 5.39784421e-03 -2.18704117e-11 -2.90392171e-03] [-2.27955464e-03 1.91298853e-03 -1.13679066e-11] [ 2.27955463e-03 1.91298852e-03 -4.73103674e-12] [-2.27955463e-03 -1.91298851e-03 1.06902542e-11] [ 2.27955460e-03 -1.91298849e-03 -8.65760241e-12] [ 1.92952256e-11 -2.49791923e-03 1.66643767e-03] [-1.21326399e-11 2.49791923e-03 1.66643766e-03] [-3.78422207e-12 -2.49791922e-03 -1.66643766e-03] [-1.04603305e-12 2.49791921e-03 -1.66643764e-03] [-5.39784422e-03 -1.33633400e-11 2.90392173e-03] [-5.39784419e-03 -1.27591705e-11 -2.90392171e-03] [ 5.39784422e-03 -1.62450569e-11 2.90392174e-03] [ 5.39784422e-03 -3.69057259e-12 -2.90392174e-03] [-2.27955460e-03 1.91298848e-03 1.69648607e-11] [ 2.27955458e-03 1.91298848e-03 1.50015791e-11] [-2.27955460e-03 -1.91298847e-03 6.18678649e-12] [ 2.27955460e-03 -1.91298850e-03 1.13671299e-11]] Final stress: [-2.68012245e-04 1.53777476e-05 2.84913431e-04 1.58937923e-15 1.36826266e-15 2.67667423e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.92586478e-02 -5.36591431e-12 -1.54406869e-12] [ 2.92586478e-02 -3.66895403e-12 4.80634976e-12] [ 4.96961196e-12 2.80168985e-03 -3.74243171e-13] [ 8.25423063e-12 -2.80168984e-03 7.82302001e-12] [ 9.49577353e-12 -3.63977555e-12 3.60542068e-02] [ 1.01667286e-11 -7.19202475e-12 -3.60542068e-02] [-2.92586478e-02 -5.03257071e-12 -1.25753093e-12] [ 2.92586478e-02 -3.22279139e-12 -1.13388481e-13] [-2.82131263e-12 2.80168987e-03 5.64465880e-13] [-2.49592274e-12 -2.80168986e-03 -2.92272579e-12] [-4.13328052e-12 -5.78656853e-12 3.60542068e-02] [-3.23322272e-12 -3.58869354e-13 -3.60542068e-02] [-4.25803435e-03 -5.40014799e-04 3.93951871e-03] [ 4.25803435e-03 5.40014799e-04 3.93951870e-03] [ 4.25803435e-03 -5.40014794e-04 -3.93951872e-03] [-4.25803434e-03 5.40014789e-04 -3.93951872e-03] [-4.25803435e-03 -5.40014791e-04 -3.93951872e-03] [ 4.25803435e-03 5.40014796e-04 -3.93951872e-03] [-4.25803435e-03 5.40014789e-04 3.93951871e-03] [ 4.25803435e-03 -5.40014797e-04 3.93951871e-03] [-4.25803435e-03 -5.40014796e-04 3.93951871e-03] [ 4.25803434e-03 5.40014795e-04 3.93951871e-03] [ 4.25803434e-03 -5.40014801e-04 -3.93951872e-03] [-4.25803435e-03 5.40014797e-04 -3.93951872e-03] [-4.25803435e-03 -5.40014798e-04 -3.93951872e-03] [ 4.25803435e-03 5.40014796e-04 -3.93951872e-03] [-4.25803435e-03 5.40014799e-04 3.93951871e-03] [ 4.25803434e-03 -5.40014790e-04 3.93951871e-03] [ 7.70825070e-12 -4.72416550e-12 9.32401378e-12] [-7.86109806e-12 -6.59291495e-13 1.26501143e-11] [ 6.34392539e-12 1.91465339e-03 -2.28112155e-03] [ 3.22691526e-12 -1.91465338e-03 -2.28112155e-03] [-1.98543265e-12 1.91465338e-03 2.28112156e-03] [-9.55459496e-12 -1.91465336e-03 2.28112155e-03] [ 2.90684777e-03 -2.77688983e-12 -5.40121375e-03] [ 2.90684776e-03 -1.48431632e-11 5.40121375e-03] [-2.90684778e-03 -6.63909205e-12 -5.40121377e-03] [-2.90684775e-03 3.49477391e-12 5.40121376e-03] [ 1.66822263e-03 -2.49923344e-03 1.68660641e-11] [-1.66822263e-03 -2.49923345e-03 1.11349697e-11] [ 1.66822264e-03 2.49923345e-03 -8.70230971e-12] [-1.66822263e-03 2.49923345e-03 1.60718661e-13] [-6.72065485e-12 1.91465337e-03 -2.28112153e-03] [ 1.26036542e-11 -1.91465336e-03 -2.28112154e-03] [ 3.51686432e-12 1.91465337e-03 2.28112155e-03] [-2.77595134e-12 -1.91465335e-03 2.28112154e-03] [ 2.90684778e-03 6.94009093e-12 -5.40121376e-03] [ 2.90684777e-03 -7.61693551e-12 5.40121375e-03] [-2.90684778e-03 -2.73730734e-12 -5.40121375e-03] [-2.90684778e-03 -1.59056123e-11 5.40121376e-03] [ 1.66822264e-03 -2.49923346e-03 1.49455235e-11] [-1.66822263e-03 -2.49923344e-03 4.91193565e-12] [ 1.66822262e-03 2.49923346e-03 1.05075664e-11] [-1.66822263e-03 2.49923344e-03 -2.04122266e-12]] Final stress: [ 2.84957505e-04 1.53779333e-05 -2.68060985e-04 -4.15798897e-15 -1.12835950e-14 -5.18377033e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.44447487e-04 5.82446417e-14 8.12609528e-14] [ 4.44447486e-04 -8.95672425e-14 -5.07927034e-14] [-1.26761882e-13 2.04119644e-04 1.14502591e-13] [ 1.96315186e-13 -2.04119643e-04 -4.77035078e-13] [ 1.06544981e-13 9.04662630e-14 -4.44447488e-04] [ 1.10467191e-13 7.49955653e-14 4.44447485e-04] [-4.44447487e-04 3.84478473e-13 -3.25400467e-14] [ 4.44447487e-04 1.24363627e-13 -1.66257345e-13] [ 9.55052010e-15 2.04119645e-04 -1.72028132e-13] [ 9.03877667e-15 -2.04119643e-04 6.50251283e-14] [-7.21376084e-14 3.91687738e-13 -4.44447486e-04] [ 3.79279941e-14 5.48441943e-13 4.44447487e-04] [-8.50621994e-05 -2.87302871e-04 -8.50621990e-05] [ 8.50621991e-05 2.87302870e-04 -8.50621991e-05] [ 8.50621997e-05 -2.87302872e-04 8.50621995e-05] [-8.50621998e-05 2.87302870e-04 8.50621999e-05] [-8.50621998e-05 -2.87302871e-04 8.50621996e-05] [ 8.50621998e-05 2.87302871e-04 8.50621997e-05] [-8.50621989e-05 2.87302870e-04 -8.50621994e-05] [ 8.50621998e-05 -2.87302871e-04 -8.50621995e-05] [-8.50621996e-05 -2.87302871e-04 -8.50621997e-05] [ 8.50621994e-05 2.87302872e-04 -8.50621997e-05] [ 8.50621988e-05 -2.87302870e-04 8.50621990e-05] [-8.50621993e-05 2.87302872e-04 8.50621998e-05] [-8.50621991e-05 -2.87302870e-04 8.50621994e-05] [ 8.50621990e-05 2.87302871e-04 8.50621994e-05] [-8.50621999e-05 2.87302872e-04 -8.50622001e-05] [ 8.50621991e-05 -2.87302871e-04 -8.50621988e-05] [ 1.40490397e-12 -1.20695121e-12 1.87660998e-12] [ 1.53613667e-13 -7.40194288e-13 -1.40742179e-12] [-2.09687823e-12 -4.24990545e-05 -7.97679117e-05] [-3.51661408e-13 4.24990571e-05 -7.97679083e-05] [-1.12413898e-12 -4.24990554e-05 7.97679112e-05] [-1.57163518e-12 4.24990591e-05 7.97679063e-05] [ 5.06122600e-05 4.53193039e-13 5.06122652e-05] [ 5.06122601e-05 1.00090075e-12 -5.06122645e-05] [-5.06122637e-05 8.62242569e-13 5.06122601e-05] [-5.06122630e-05 4.88237922e-14 -5.06122613e-05] [-7.97679146e-05 -4.24990525e-05 -1.32294176e-12] [ 7.97679117e-05 -4.24990553e-05 4.67889616e-14] [-7.97679104e-05 4.24990555e-05 1.38623488e-13] [ 7.97679098e-05 4.24990566e-05 9.01726610e-14] [ 1.20160479e-12 -4.24990568e-05 -7.97679100e-05] [ 8.54784993e-13 4.24990553e-05 -7.97679117e-05] [ 1.31184646e-12 -4.24990570e-05 7.97679093e-05] [ 2.65394217e-12 4.24990549e-05 7.97679117e-05] [ 5.06122618e-05 -1.67334278e-12 5.06122632e-05] [ 5.06122623e-05 -1.05350841e-12 -5.06122628e-05] [-5.06122594e-05 -3.38201168e-12 5.06122657e-05] [-5.06122609e-05 -1.34772662e-12 -5.06122642e-05] [-7.97679079e-05 -4.24990588e-05 1.36914348e-12] [ 7.97679106e-05 -4.24990555e-05 3.15408239e-13] [-7.97679104e-05 4.24990573e-05 3.61707314e-13] [ 7.97679142e-05 4.24990521e-05 1.25324187e-12]] Final stress: [ 4.77084873e-06 -1.75013311e-05 4.77084872e-06 5.15394309e-17 -1.82881851e-17 2.99261211e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.20581140e-04 -6.97736140e-14 6.61007707e-14] [-4.20581141e-04 -3.22575300e-13 -3.06143999e-14] [ 3.07579916e-13 -3.79329157e-05 -7.71390007e-05] [-1.88210558e-13 3.79329162e-05 7.71390006e-05] [ 1.04782068e-13 -7.71390006e-05 -3.79329167e-05] [ 2.67535993e-13 7.71390010e-05 3.79329153e-05] [ 4.20581140e-04 -1.20914563e-13 -2.97200688e-13] [-4.20581140e-04 1.88075683e-13 -9.38818583e-14] [-1.72100615e-13 -3.79329145e-05 -7.71390008e-05] [ 1.60163983e-13 3.79329166e-05 7.71390005e-05] [-1.25571862e-13 -7.71390003e-05 -3.79329167e-05] [-2.65104778e-13 7.71390011e-05 3.79329162e-05] [ 2.31958137e-04 1.16939905e-04 1.16939905e-04] [ 3.19194399e-04 -1.68476921e-04 1.68476921e-04] [ 3.19194399e-04 1.68476920e-04 -1.68476921e-04] [ 2.31958137e-04 -1.16939905e-04 -1.16939905e-04] [-3.19194398e-04 1.68476921e-04 -1.68476921e-04] [-2.31958137e-04 -1.16939905e-04 -1.16939905e-04] [-3.19194399e-04 -1.68476921e-04 1.68476921e-04] [-2.31958137e-04 1.16939905e-04 1.16939905e-04] [ 2.31958137e-04 1.16939905e-04 1.16939905e-04] [ 3.19194399e-04 -1.68476921e-04 1.68476921e-04] [ 3.19194398e-04 1.68476921e-04 -1.68476921e-04] [ 2.31958136e-04 -1.16939905e-04 -1.16939905e-04] [-3.19194399e-04 1.68476921e-04 -1.68476921e-04] [-2.31958137e-04 -1.16939905e-04 -1.16939905e-04] [-3.19194399e-04 -1.68476920e-04 1.68476920e-04] [-2.31958137e-04 1.16939905e-04 1.16939904e-04] [ 5.81035220e-13 -4.71039874e-13 1.25743860e-12] [-5.00381854e-13 -1.17003491e-12 -3.54109119e-13] [ 8.54538662e-13 5.58827802e-04 5.58827798e-04] [ 6.29742786e-13 1.12518203e-04 -1.12518205e-04] [ 9.97396610e-14 -1.12518202e-04 1.12518207e-04] [ 1.08649548e-12 -5.58827801e-04 -5.58827800e-04] [ 4.29513279e-05 3.90925000e-04 8.54225554e-05] [ 4.29513275e-05 -3.90925000e-04 -8.54225558e-05] [-4.29513283e-05 3.90924998e-04 8.54225555e-05] [-4.29513263e-05 -3.90924999e-04 -8.54225567e-05] [ 4.29513305e-05 8.54225536e-05 3.90925000e-04] [-4.29513294e-05 8.54225534e-05 3.90925000e-04] [ 4.29513305e-05 -8.54225537e-05 -3.90924999e-04] [-4.29513299e-05 -8.54225541e-05 -3.90924999e-04] [-6.80633501e-13 5.58827799e-04 5.58827802e-04] [ 3.83185671e-13 1.12518206e-04 -1.12518203e-04] [ 7.00673460e-13 -1.12518205e-04 1.12518204e-04] [ 2.24270689e-13 -5.58827799e-04 -5.58827802e-04] [ 4.29513299e-05 3.90924999e-04 8.54225539e-05] [ 4.29513294e-05 -3.90925000e-04 -8.54225537e-05] [-4.29513306e-05 3.90924999e-04 8.54225529e-05] [-4.29513301e-05 -3.90924999e-04 -8.54225529e-05] [ 4.29513269e-05 8.54225565e-05 3.90925000e-04] [-4.29513286e-05 8.54225549e-05 3.90925000e-04] [ 4.29513270e-05 -8.54225571e-05 -3.90924998e-04] [-4.29513279e-05 -8.54225563e-05 -3.90925000e-04]] Final stress: [-1.52898920e-05 5.57003463e-06 5.57003463e-06 3.58646346e-06 -3.99003533e-17 5.32004711e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.21489233e-04 1.41660988e-13 -1.69628200e-13] [-4.21489234e-04 -3.56381591e-14 -4.49362769e-14] [-2.49237696e-13 -3.34033746e-05 7.97637075e-05] [ 2.35117481e-13 3.34033758e-05 -7.97637073e-05] [-1.42841468e-13 7.97637071e-05 -3.34033752e-05] [-4.51860771e-14 -7.97637069e-05 3.34033742e-05] [ 4.21489233e-04 -2.14530650e-13 -1.11300940e-13] [-4.21489232e-04 4.20466613e-14 2.76018340e-13] [ 3.08321077e-14 -3.34033743e-05 7.97637076e-05] [-2.65851577e-13 3.34033751e-05 -7.97637071e-05] [-8.81187484e-14 7.97637078e-05 -3.34033745e-05] [-9.89291114e-14 -7.97637069e-05 3.34033747e-05] [-3.19540935e-04 1.65782481e-04 1.65782481e-04] [-2.30754701e-04 -1.18960415e-04 1.18960415e-04] [-2.30754700e-04 1.18960415e-04 -1.18960415e-04] [-3.19540934e-04 -1.65782481e-04 -1.65782482e-04] [ 2.30754701e-04 1.18960415e-04 -1.18960416e-04] [ 3.19540935e-04 -1.65782480e-04 -1.65782480e-04] [ 2.30754701e-04 -1.18960416e-04 1.18960415e-04] [ 3.19540935e-04 1.65782480e-04 1.65782480e-04] [-3.19540935e-04 1.65782480e-04 1.65782480e-04] [-2.30754701e-04 -1.18960415e-04 1.18960415e-04] [-2.30754702e-04 1.18960415e-04 -1.18960415e-04] [-3.19540935e-04 -1.65782480e-04 -1.65782481e-04] [ 2.30754701e-04 1.18960415e-04 -1.18960415e-04] [ 3.19540935e-04 -1.65782481e-04 -1.65782481e-04] [ 2.30754701e-04 -1.18960415e-04 1.18960415e-04] [ 3.19540935e-04 1.65782480e-04 1.65782482e-04] [ 8.17540480e-13 -5.89944760e-13 9.65200142e-13] [-1.38203858e-12 6.46620443e-13 2.53603003e-13] [-7.04436509e-13 -1.14718267e-04 -1.14718263e-04] [-5.98698174e-13 -5.60892765e-04 5.60892767e-04] [ 1.11955584e-13 5.60892765e-04 -5.60892767e-04] [-8.24482843e-13 1.14718267e-04 1.14718264e-04] [ 4.21952912e-05 -3.85545121e-04 8.48662020e-05] [ 4.21952897e-05 3.85545119e-04 -8.48662028e-05] [-4.21952915e-05 -3.85545120e-04 8.48662007e-05] [-4.21952911e-05 3.85545121e-04 -8.48662012e-05] [ 4.21952851e-05 8.48662073e-05 -3.85545119e-04] [-4.21952862e-05 8.48662067e-05 -3.85545121e-04] [ 4.21952867e-05 -8.48662070e-05 3.85545120e-04] [-4.21952873e-05 -8.48662056e-05 3.85545120e-04] [ 3.74001177e-13 -1.14718264e-04 -1.14718267e-04] [ 1.82703375e-12 -5.60892768e-04 5.60892762e-04] [ 7.51512134e-13 5.60892768e-04 -5.60892762e-04] [ 3.25160905e-13 1.14718263e-04 1.14718268e-04] [ 4.21952868e-05 -3.85545121e-04 8.48662061e-05] [ 4.21952875e-05 3.85545120e-04 -8.48662049e-05] [-4.21952865e-05 -3.85545121e-04 8.48662061e-05] [-4.21952858e-05 3.85545120e-04 -8.48662072e-05] [ 4.21952911e-05 8.48662019e-05 -3.85545120e-04] [-4.21952900e-05 8.48662033e-05 -3.85545119e-04] [ 4.21952906e-05 -8.48662024e-05 3.85545120e-04] [-4.21952902e-05 -8.48662026e-05 3.85545120e-04]] Final stress: [-1.52722152e-05 5.57653239e-06 5.57653240e-06 -3.55506585e-06 -3.44140547e-16 -7.64756771e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.09198500e-03 1.27043775e-13 2.06468957e-13] [ 1.09198500e-03 2.30176989e-13 2.73420175e-13] [ 2.72574064e-13 -8.00346225e-05 -3.12280673e-04] [ 6.73905376e-14 8.00346250e-05 3.12280674e-04] [-3.23493836e-13 -3.12280673e-04 -8.00346238e-05] [ 2.91239255e-13 3.12280674e-04 8.00346209e-05] [-1.09198500e-03 3.30139562e-14 2.80070270e-13] [ 1.09198500e-03 3.13625861e-13 -3.67976367e-13] [ 3.22726221e-13 -8.00346209e-05 -3.12280673e-04] [-1.57667282e-13 8.00346230e-05 3.12280673e-04] [-1.57313398e-13 -3.12280674e-04 -8.00346239e-05] [-1.11958186e-13 3.12280674e-04 8.00346218e-05] [ 6.66448739e-04 -3.30687612e-04 -3.30687612e-04] [ 4.26379907e-04 3.97032202e-04 -3.97032202e-04] [ 4.26379907e-04 -3.97032202e-04 3.97032202e-04] [ 6.66448739e-04 3.30687612e-04 3.30687612e-04] [-4.26379906e-04 -3.97032202e-04 3.97032203e-04] [-6.66448738e-04 3.30687613e-04 3.30687613e-04] [-4.26379906e-04 3.97032203e-04 -3.97032203e-04] [-6.66448738e-04 -3.30687612e-04 -3.30687612e-04] [ 6.66448738e-04 -3.30687613e-04 -3.30687613e-04] [ 4.26379907e-04 3.97032203e-04 -3.97032203e-04] [ 4.26379906e-04 -3.97032202e-04 3.97032201e-04] [ 6.66448739e-04 3.30687612e-04 3.30687612e-04] [-4.26379906e-04 -3.97032202e-04 3.97032202e-04] [-6.66448739e-04 3.30687612e-04 3.30687612e-04] [-4.26379907e-04 3.97032203e-04 -3.97032203e-04] [-6.66448739e-04 -3.30687611e-04 -3.30687613e-04] [ 7.20673521e-13 -1.33457134e-12 3.24881788e-12] [-4.77444473e-13 -9.73117182e-13 8.85047684e-13] [-1.27675648e-13 2.86109074e-04 2.86109070e-04] [-2.43097209e-13 1.43048806e-03 -1.43048807e-03] [ 7.73773406e-13 -1.43048806e-03 1.43048807e-03] [-8.93646268e-13 -2.86109073e-04 -2.86109070e-04] [-3.88257141e-04 6.87486950e-04 3.71133806e-05] [-3.88257142e-04 -6.87486956e-04 -3.71133806e-05] [ 3.88257141e-04 6.87486954e-04 3.71133809e-05] [ 3.88257143e-04 -6.87486954e-04 -3.71133817e-05] [-3.88257136e-04 3.71133754e-05 6.87486955e-04] [ 3.88257136e-04 3.71133756e-05 6.87486956e-04] [-3.88257137e-04 -3.71133765e-05 -6.87486953e-04] [ 3.88257137e-04 -3.71133778e-05 -6.87486955e-04] [-1.27708608e-13 2.86109069e-04 2.86109073e-04] [-9.27625598e-13 1.43048807e-03 -1.43048806e-03] [-2.26842503e-12 -1.43048807e-03 1.43048806e-03] [ 7.84707369e-13 -2.86109068e-04 -2.86109076e-04] [-3.88257137e-04 6.87486954e-04 3.71133775e-05] [-3.88257136e-04 -6.87486955e-04 -3.71133770e-05] [ 3.88257136e-04 6.87486953e-04 3.71133770e-05] [ 3.88257137e-04 -6.87486954e-04 -3.71133775e-05] [-3.88257141e-04 3.71133804e-05 6.87486956e-04] [ 3.88257143e-04 3.71133824e-05 6.87486954e-04] [-3.88257141e-04 -3.71133810e-05 -6.87486953e-04] [ 3.88257139e-04 -3.71133797e-05 -6.87486953e-04]] Final stress: [ 4.03917992e-05 -9.19748916e-06 -9.19748917e-06 5.70729071e-07 -6.25117458e-16 -6.48393108e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.13755893e-03 7.10178444e-14 -1.05098222e-13] [ 1.13755893e-03 5.70377079e-14 7.18591853e-14] [ 5.80186506e-13 -9.08505747e-05 3.30769458e-04] [-1.36279876e-14 9.08505769e-05 -3.30769458e-04] [ 4.65660496e-14 3.30769459e-04 -9.08505757e-05] [ 3.47555318e-13 -3.30769459e-04 9.08505751e-05] [-1.13755893e-03 2.20497232e-13 -7.77085489e-15] [ 1.13755893e-03 -1.13665154e-13 3.34859851e-13] [-8.93850965e-14 -9.08505733e-05 3.30769459e-04] [ 3.87662992e-14 9.08505767e-05 -3.30769459e-04] [ 1.85947178e-13 3.30769458e-04 -9.08505753e-05] [-4.23014922e-13 -3.30769458e-04 9.08505747e-05] [-4.41204951e-04 -4.16442220e-04 -4.16442220e-04] [-6.93164361e-04 3.38984599e-04 -3.38984599e-04] [-6.93164361e-04 -3.38984599e-04 3.38984599e-04] [-4.41204952e-04 4.16442221e-04 4.16442219e-04] [ 6.93164362e-04 -3.38984597e-04 3.38984599e-04] [ 4.41204953e-04 4.16442221e-04 4.16442221e-04] [ 6.93164362e-04 3.38984598e-04 -3.38984598e-04] [ 4.41204952e-04 -4.16442220e-04 -4.16442221e-04] [-4.41204952e-04 -4.16442221e-04 -4.16442221e-04] [-6.93164362e-04 3.38984598e-04 -3.38984598e-04] [-6.93164362e-04 -3.38984598e-04 3.38984597e-04] [-4.41204952e-04 4.16442221e-04 4.16442221e-04] [ 6.93164362e-04 -3.38984599e-04 3.38984598e-04] [ 4.41204951e-04 4.16442220e-04 4.16442220e-04] [ 6.93164360e-04 3.38984600e-04 -3.38984599e-04] [ 4.41204951e-04 -4.16442220e-04 -4.16442220e-04] [ 3.29364314e-12 -2.42883491e-12 9.72694147e-13] [-3.03726185e-12 -2.11248423e-12 1.81787562e-13] [-1.27120536e-12 -1.49043330e-03 -1.49043330e-03] [-7.24470831e-13 -3.02753546e-04 3.02753552e-04] [-3.29508296e-12 3.02753544e-04 -3.02753554e-04] [-1.86516774e-12 1.49043331e-03 1.49043329e-03] [-4.08963997e-04 -7.06873281e-04 4.57865844e-05] [-4.08963998e-04 7.06873279e-04 -4.57865850e-05] [ 4.08963994e-04 -7.06873282e-04 4.57865807e-05] [ 4.08963996e-04 7.06873279e-04 -4.57865830e-05] [-4.08964003e-04 4.57865902e-05 -7.06873280e-04] [ 4.08964001e-04 4.57865881e-05 -7.06873279e-04] [-4.08964002e-04 -4.57865899e-05 7.06873278e-04] [ 4.08963999e-04 -4.57865860e-05 7.06873279e-04] [ 1.24202384e-12 -1.49043330e-03 -1.49043330e-03] [ 1.08734809e-12 -3.02753551e-04 3.02753547e-04] [ 1.42517595e-12 3.02753552e-04 -3.02753546e-04] [ 1.02148238e-12 1.49043330e-03 1.49043330e-03] [-4.08964002e-04 -7.06873282e-04 4.57865891e-05] [-4.08964000e-04 7.06873277e-04 -4.57865880e-05] [ 4.08964005e-04 -7.06873280e-04 4.57865932e-05] [ 4.08964001e-04 7.06873278e-04 -4.57865900e-05] [-4.08963994e-04 4.57865805e-05 -7.06873278e-04] [ 4.08963996e-04 4.57865841e-05 -7.06873278e-04] [-4.08963993e-04 -4.57865808e-05 7.06873282e-04] [ 4.08963996e-04 -4.57865851e-05 7.06873280e-04]] Final stress: [ 4.20152660e-05 -9.43933920e-06 -9.43933921e-06 -3.48521272e-07 3.34171833e-16 3.39159472e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.23743702e-04 -2.08475598e-13 -8.36818841e-05] [-4.23743702e-04 -4.77395901e-15 8.36818852e-05] [ 3.50414142e-15 -2.51259931e-05 4.31799561e-13] [-8.07687250e-14 2.51259939e-05 -7.41628980e-14] [-8.36485401e-05 -2.28194200e-14 -2.47367968e-05] [ 8.36485408e-05 1.61426428e-13 2.47367959e-05] [ 4.23743702e-04 -3.93565389e-14 -8.36818846e-05] [-4.23743702e-04 4.64441853e-14 8.36818846e-05] [ 1.44615223e-14 -2.51259926e-05 2.06607443e-13] [ 2.06618576e-14 2.51259938e-05 -1.43754236e-13] [-8.36485405e-05 9.20583454e-14 -2.47367960e-05] [ 8.36485405e-05 -1.86693343e-14 2.47367963e-05] [-6.46026903e-05 4.16133626e-04 1.22577447e-04] [ 2.68358977e-05 1.32975820e-04 1.60932389e-04] [ 6.46026907e-05 4.16133625e-04 -1.22577447e-04] [-2.68358971e-05 1.32975820e-04 -1.60932389e-04] [-2.68358971e-05 -1.32975820e-04 -1.60932389e-04] [ 6.46026906e-05 -4.16133625e-04 -1.22577447e-04] [-6.46026905e-05 -4.16133625e-04 1.22577447e-04] [ 2.68358970e-05 -1.32975819e-04 1.60932389e-04] [-6.46026911e-05 4.16133624e-04 1.22577447e-04] [ 2.68358976e-05 1.32975820e-04 1.60932388e-04] [ 6.46026897e-05 4.16133626e-04 -1.22577447e-04] [-2.68358969e-05 1.32975820e-04 -1.60932389e-04] [-2.68358980e-05 -1.32975819e-04 -1.60932389e-04] [ 6.46026902e-05 -4.16133625e-04 -1.22577447e-04] [-6.46026915e-05 -4.16133625e-04 1.22577447e-04] [ 2.68358976e-05 -1.32975819e-04 1.60932389e-04] [ 6.53338494e-13 -5.77510262e-13 1.59891544e-12] [ 2.82495381e-13 -9.02908140e-13 2.01085294e-13] [ 3.76081824e-04 2.22831230e-04 2.22961369e-04] [ 3.76081825e-04 -2.22831231e-04 2.22961368e-04] [-3.76081826e-04 2.22831230e-04 -2.22961369e-04] [-3.76081826e-04 -2.22831229e-04 -2.22961370e-04] [ 3.83518689e-04 2.72004641e-14 4.25834464e-04] [-3.01169669e-04 4.04502820e-14 2.58752951e-04] [ 3.01169669e-04 -8.64454341e-13 -2.58752951e-04] [-3.83518691e-04 -5.05481074e-13 -4.25834462e-04] [ 4.11650903e-05 8.34016092e-05 3.75472920e-04] [-4.11650909e-05 8.34016075e-05 -3.75472921e-04] [ 4.11650914e-05 -8.34016080e-05 3.75472920e-04] [-4.11650924e-05 -8.34016067e-05 -3.75472921e-04] [ 3.76081826e-04 2.22831233e-04 2.22961365e-04] [ 3.76081826e-04 -2.22831234e-04 2.22961364e-04] [-3.76081825e-04 2.22831234e-04 -2.22961366e-04] [-3.76081826e-04 -2.22831234e-04 -2.22961365e-04] [ 3.83518685e-04 -1.23201323e-12 4.25834467e-04] [-3.01169671e-04 -3.97612498e-13 2.58752949e-04] [ 3.01169674e-04 -8.51066613e-13 -2.58752947e-04] [-3.83518685e-04 -9.82009613e-14 -4.25834468e-04] [ 4.11650951e-05 8.34016035e-05 3.75472920e-04] [-4.11650943e-05 8.34016043e-05 -3.75472919e-04] [ 4.11650970e-05 -8.34016020e-05 3.75472920e-04] [-4.11650951e-05 -8.34016048e-05 -3.75472920e-04]] Final stress: [-1.52380585e-05 5.58629534e-06 5.59046813e-06 1.32169920e-15 3.49241609e-06 -3.82378386e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.18127021e-04 1.46120095e-14 7.75343595e-05] [-4.18127022e-04 -1.03306252e-13 -7.75343592e-05] [ 5.84068384e-14 -4.56208801e-05 -1.99796776e-15] [ 4.28268532e-14 4.56208802e-05 -7.65776331e-14] [ 7.75173476e-05 -1.77913673e-13 -4.52305608e-05] [-7.75173475e-05 1.62453384e-13 4.52305597e-05] [ 4.18127021e-04 3.02231330e-13 7.75343594e-05] [-4.18127021e-04 5.92269289e-14 -7.75343599e-05] [-4.27201243e-13 -4.56208794e-05 4.35021934e-14] [-2.14603509e-13 4.56208809e-05 -3.13878241e-13] [ 7.75173469e-05 1.90381450e-13 -4.52305591e-05] [-7.75173470e-05 4.47152602e-14 4.52305602e-05] [-1.39528946e-05 -1.29687786e-04 1.71363515e-04] [ 6.96297642e-05 -4.15792477e-04 1.15102016e-04] [ 1.39528952e-05 -1.29687786e-04 -1.71363514e-04] [-6.96297643e-05 -4.15792477e-04 -1.15102016e-04] [-6.96297643e-05 4.15792477e-04 -1.15102016e-04] [ 1.39528948e-05 1.29687786e-04 -1.71363514e-04] [-1.39528949e-05 1.29687785e-04 1.71363514e-04] [ 6.96297642e-05 4.15792478e-04 1.15102017e-04] [-1.39528943e-05 -1.29687787e-04 1.71363514e-04] [ 6.96297644e-05 -4.15792477e-04 1.15102016e-04] [ 1.39528943e-05 -1.29687785e-04 -1.71363515e-04] [-6.96297638e-05 -4.15792478e-04 -1.15102017e-04] [-6.96297640e-05 4.15792477e-04 -1.15102016e-04] [ 1.39528939e-05 1.29687786e-04 -1.71363515e-04] [-1.39528941e-05 1.29687786e-04 1.71363513e-04] [ 6.96297645e-05 4.15792477e-04 1.15102017e-04] [ 1.47845625e-12 1.60704783e-13 1.14089294e-12] [-1.93154520e-13 -9.55107669e-13 -5.05504534e-13] [-3.98616973e-04 2.24228233e-04 2.24355329e-04] [-3.98616972e-04 -2.24228233e-04 2.24355330e-04] [ 3.98616972e-04 2.24228232e-04 -2.24355329e-04] [ 3.98616973e-04 -2.24228232e-04 -2.24355330e-04] [-2.96597413e-04 -7.15427717e-13 -2.38601728e-04] [ 3.69794605e-04 -2.52905336e-13 -4.27725474e-04] [-3.69794605e-04 -1.08517709e-12 4.27725475e-04] [ 2.96597414e-04 -3.16011106e-13 2.38601728e-04] [ 3.65880563e-05 9.44246190e-05 -3.98009883e-04] [-3.65880578e-05 9.44246169e-05 3.98009884e-04] [ 3.65880563e-05 -9.44246185e-05 -3.98009885e-04] [-3.65880570e-05 -9.44246179e-05 3.98009883e-04] [-3.98616973e-04 2.24228230e-04 2.24355331e-04] [-3.98616971e-04 -2.24228231e-04 2.24355331e-04] [ 3.98616972e-04 2.24228231e-04 -2.24355330e-04] [ 3.98616972e-04 -2.24228229e-04 -2.24355332e-04] [-2.96597412e-04 3.55174901e-13 -2.38601730e-04] [ 3.69794608e-04 -5.84026967e-13 -4.27725471e-04] [-3.69794607e-04 8.73424597e-14 4.27725473e-04] [ 2.96597412e-04 -1.03541958e-12 2.38601729e-04] [ 3.65880545e-05 9.44246211e-05 -3.98009884e-04] [-3.65880554e-05 9.44246200e-05 3.98009885e-04] [ 3.65880548e-05 -9.44246202e-05 -3.98009884e-04] [-3.65880551e-05 -9.44246200e-05 3.98009885e-04]] Final stress: [-1.52950487e-05 5.52658648e-06 5.53068341e-06 2.75977444e-16 -3.57278493e-06 2.26102002e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.22648522e-04 8.23100268e-14 -9.62665745e-05] [ 4.22648522e-04 3.79696274e-14 9.62665745e-05] [ 2.68737723e-13 2.72361232e-05 -4.70067561e-13] [ 2.49134047e-13 -2.72361232e-05 -1.56263891e-14] [-9.63274161e-05 2.30683528e-14 2.75917177e-05] [ 9.63274166e-05 -3.40005801e-14 -2.75917184e-05] [-4.22648522e-04 -9.68040752e-14 -9.62665744e-05] [ 4.22648522e-04 -4.75921386e-14 9.62665748e-05] [ 7.77685208e-14 2.72361245e-05 2.86460047e-14] [-2.50727390e-13 -2.72361224e-05 -4.66354124e-14] [-9.63274166e-05 -1.29978031e-13 2.75917191e-05] [ 9.63274163e-05 2.44464143e-13 -2.75917177e-05] [ 2.10439799e-05 8.59646769e-05 -1.67083816e-04] [-5.43930724e-05 3.87673758e-04 -1.34313052e-04] [-2.10439796e-05 8.59646768e-05 1.67083816e-04] [ 5.43930720e-05 3.87673758e-04 1.34313051e-04] [ 5.43930719e-05 -3.87673758e-04 1.34313051e-04] [-2.10439792e-05 -8.59646761e-05 1.67083817e-04] [ 2.10439797e-05 -8.59646769e-05 -1.67083817e-04] [-5.43930721e-05 -3.87673758e-04 -1.34313051e-04] [ 2.10439789e-05 8.59646765e-05 -1.67083816e-04] [-5.43930721e-05 3.87673758e-04 -1.34313051e-04] [-2.10439799e-05 8.59646766e-05 1.67083816e-04] [ 5.43930716e-05 3.87673758e-04 1.34313052e-04] [ 5.43930717e-05 -3.87673758e-04 1.34313052e-04] [-2.10439799e-05 -8.59646769e-05 1.67083816e-04] [ 2.10439800e-05 -8.59646762e-05 -1.67083816e-04] [-5.43930724e-05 -3.87673758e-04 -1.34313051e-04] [ 9.59371471e-13 -2.20795604e-13 6.42597087e-13] [-3.02347990e-13 -1.48493761e-12 -7.31110847e-13] [ 3.52953240e-04 -2.35704256e-04 -2.35584874e-04] [ 3.52953240e-04 2.35704257e-04 -2.35584874e-04] [-3.52953239e-04 -2.35704257e-04 2.35584873e-04] [-3.52953240e-04 2.35704257e-04 2.35584873e-04] [ 2.11607503e-04 -1.58328906e-12 2.76212349e-04] [-4.31999897e-04 -7.67485034e-13 3.67580096e-04] [ 4.31999898e-04 -1.22275627e-12 -3.67580096e-04] [-2.11607502e-04 -3.46563056e-13 -2.76212349e-04] [-1.10204522e-04 -4.58116870e-05 3.53547101e-04] [ 1.10204523e-04 -4.58116874e-05 -3.53547100e-04] [-1.10204523e-04 4.58116864e-05 3.53547100e-04] [ 1.10204523e-04 4.58116869e-05 -3.53547101e-04] [ 3.52953239e-04 -2.35704255e-04 -2.35584876e-04] [ 3.52953240e-04 2.35704255e-04 -2.35584875e-04] [-3.52953239e-04 -2.35704254e-04 2.35584877e-04] [-3.52953240e-04 2.35704256e-04 2.35584874e-04] [ 2.11607501e-04 5.22962108e-13 2.76212351e-04] [-4.31999900e-04 -6.56310509e-13 3.67580094e-04] [ 4.31999900e-04 1.15513502e-13 -3.67580093e-04] [-2.11607502e-04 -6.84309380e-14 -2.76212350e-04] [-1.10204521e-04 -4.58116890e-05 3.53547102e-04] [ 1.10204521e-04 -4.58116888e-05 -3.53547101e-04] [-1.10204521e-04 4.58116888e-05 3.53547101e-04] [ 1.10204520e-04 4.58116897e-05 -3.53547100e-04]] Final stress: [ 1.54600168e-05 -5.53564622e-06 -5.53186000e-06 -9.16063083e-16 3.31254456e-06 2.97595811e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.22217465e-04 -9.64506253e-15 1.02382218e-04] [ 4.22217466e-04 -2.05474526e-13 -1.02382218e-04] [-4.11042728e-15 2.62252558e-05 2.27383216e-13] [-1.33532074e-13 -2.62252538e-05 1.22374333e-13] [ 1.02449509e-04 -1.24761312e-13 2.65802226e-05] [-1.02449509e-04 1.07552856e-13 -2.65802233e-05] [-4.22217466e-04 1.86074246e-13 1.02382218e-04] [ 4.22217466e-04 -3.20867465e-14 -1.02382218e-04] [-1.49926946e-13 2.62252550e-05 1.53829044e-13] [-2.89465066e-13 -2.62252549e-05 3.80620213e-13] [ 1.02449509e-04 4.57424343e-14 2.65802231e-05] [-1.02449509e-04 8.11464586e-14 -2.65802233e-05] [ 5.21452409e-05 -3.84309716e-04 -1.36486802e-04] [-2.32182475e-05 -8.26883017e-05 -1.64825783e-04] [-5.21452409e-05 -3.84309716e-04 1.36486802e-04] [ 2.32182473e-05 -8.26883021e-05 1.64825783e-04] [ 2.32182471e-05 8.26883022e-05 1.64825783e-04] [-5.21452412e-05 3.84309716e-04 1.36486801e-04] [ 5.21452409e-05 3.84309716e-04 -1.36486801e-04] [-2.32182471e-05 8.26883018e-05 -1.64825784e-04] [ 5.21452414e-05 -3.84309716e-04 -1.36486801e-04] [-2.32182467e-05 -8.26883015e-05 -1.64825784e-04] [-5.21452415e-05 -3.84309716e-04 1.36486802e-04] [ 2.32182471e-05 -8.26883017e-05 1.64825783e-04] [ 2.32182478e-05 8.26883024e-05 1.64825783e-04] [-5.21452406e-05 3.84309716e-04 1.36486802e-04] [ 5.21452411e-05 3.84309716e-04 -1.36486802e-04] [-2.32182473e-05 8.26883024e-05 -1.64825783e-04] [-4.37705427e-13 -2.08358331e-12 6.42375042e-13] [-6.99898039e-13 8.36255882e-14 9.47837430e-13] [-3.50202997e-04 -2.36383388e-04 -2.36262902e-04] [-3.50202997e-04 2.36383388e-04 -2.36262901e-04] [ 3.50202998e-04 -2.36383388e-04 2.36262902e-04] [ 3.50202997e-04 2.36383389e-04 2.36262899e-04] [-4.32044804e-04 8.60422844e-14 -3.70538265e-04] [ 2.13956216e-04 -2.31698341e-13 -2.75650203e-04] [-2.13956215e-04 4.77430595e-13 2.75650203e-04] [ 4.32044806e-04 6.32098540e-14 3.70538264e-04] [-1.09051760e-04 -4.75720905e-05 -3.50799453e-04] [ 1.09051759e-04 -4.75720921e-05 3.50799452e-04] [-1.09051758e-04 4.75720920e-05 -3.50799453e-04] [ 1.09051757e-04 4.75720924e-05 3.50799452e-04] [-3.50202997e-04 -2.36383391e-04 -2.36262899e-04] [-3.50202996e-04 2.36383390e-04 -2.36262899e-04] [ 3.50202997e-04 -2.36383390e-04 2.36262900e-04] [ 3.50202997e-04 2.36383390e-04 2.36262900e-04] [-4.32044803e-04 -1.20639425e-12 -3.70538266e-04] [ 2.13956218e-04 -7.66007049e-13 -2.75650201e-04] [-2.13956217e-04 -1.38482845e-12 2.75650202e-04] [ 4.32044804e-04 -1.05151998e-12 3.70538265e-04] [-1.09051760e-04 -4.75720897e-05 -3.50799452e-04] [ 1.09051760e-04 -4.75720904e-05 3.50799453e-04] [-1.09051761e-04 4.75720883e-05 -3.50799453e-04] [ 1.09051760e-04 4.75720906e-05 3.50799453e-04]] Final stress: [ 1.54592019e-05 -5.51934977e-06 -5.51557466e-06 -4.23949340e-16 -3.24716208e-06 1.13385667e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.22395324e-04 -8.27455899e-05 3.74371541e-13] [-4.22395324e-04 8.27455898e-05 -2.40363285e-14] [-8.27155174e-05 -2.90950231e-05 1.03415540e-14] [ 8.27155178e-05 2.90950247e-05 -2.34728903e-13] [ 4.66861792e-14 2.60410183e-13 -2.94844166e-05] [ 2.16521245e-13 2.35644837e-13 2.94844155e-05] [ 4.22395324e-04 -8.27455896e-05 1.20757833e-13] [-4.22395324e-04 8.27455906e-05 -6.55663470e-14] [-8.27155180e-05 -2.90950251e-05 -4.65692993e-13] [ 8.27155183e-05 2.90950235e-05 -3.57096255e-13] [-2.52306856e-13 -3.01002819e-14 -2.94844170e-05] [-3.11289623e-13 -2.57308922e-13 2.94844159e-05] [-6.55250484e-05 1.21081727e-04 4.15805580e-04] [ 6.55250486e-05 -1.21081727e-04 4.15805581e-04] [ 2.41478810e-05 1.63047068e-04 1.32030491e-04] [-2.41478809e-05 -1.63047069e-04 1.32030490e-04] [-6.55250481e-05 1.21081727e-04 -4.15805580e-04] [ 6.55250484e-05 -1.21081727e-04 -4.15805580e-04] [-2.41478809e-05 -1.63047069e-04 -1.32030490e-04] [ 2.41478811e-05 1.63047068e-04 -1.32030491e-04] [-6.55250490e-05 1.21081727e-04 4.15805581e-04] [ 6.55250484e-05 -1.21081727e-04 4.15805580e-04] [ 2.41478807e-05 1.63047068e-04 1.32030490e-04] [-2.41478816e-05 -1.63047068e-04 1.32030490e-04] [-6.55250486e-05 1.21081727e-04 -4.15805581e-04] [ 6.55250483e-05 -1.21081727e-04 -4.15805580e-04] [-2.41478820e-05 -1.63047069e-04 -1.32030492e-04] [ 2.41478810e-05 1.63047068e-04 -1.32030491e-04] [ 4.97990538e-13 -8.74772477e-13 1.44950718e-12] [-1.57205846e-13 1.13221459e-12 4.38282248e-13] [ 3.80780768e-04 2.23376589e-04 2.23246985e-04] [-3.80780768e-04 -2.23376588e-04 2.23246987e-04] [ 3.80780769e-04 2.23376589e-04 -2.23246985e-04] [-3.80780768e-04 -2.23376588e-04 -2.23246987e-04] [ 3.89994999e-05 3.80172051e-04 8.69482261e-05] [ 3.89994983e-05 3.80172051e-04 -8.69482263e-05] [-3.89995007e-05 -3.80172049e-04 8.69482242e-05] [-3.89994983e-05 -3.80172049e-04 -8.69482262e-05] [ 3.79435846e-04 4.27467668e-04 -1.67865721e-13] [ 3.01417691e-04 -2.53293648e-04 -1.10278106e-13] [-3.01417689e-04 2.53293650e-04 1.26010313e-12] [-3.79435847e-04 -4.27467666e-04 6.25648838e-13] [ 3.80780768e-04 2.23376587e-04 2.23246988e-04] [-3.80780769e-04 -2.23376587e-04 2.23246987e-04] [ 3.80780769e-04 2.23376587e-04 -2.23246988e-04] [-3.80780768e-04 -2.23376589e-04 -2.23246986e-04] [ 3.89995001e-05 3.80172048e-04 8.69482253e-05] [ 3.89995005e-05 3.80172048e-04 -8.69482243e-05] [-3.89995016e-05 -3.80172051e-04 8.69482237e-05] [-3.89995000e-05 -3.80172050e-04 -8.69482248e-05] [ 3.79435846e-04 4.27467667e-04 7.95848754e-13] [ 3.01417691e-04 -2.53293649e-04 3.74963979e-13] [-3.01417691e-04 2.53293649e-04 9.75077949e-13] [-3.79435844e-04 -4.27467669e-04 9.11930687e-13]] Final stress: [-1.52468008e-05 5.57450835e-06 5.57035364e-06 3.99003533e-17 6.91606124e-16 3.50552757e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.22534856e-04 7.72059136e-05 2.97242699e-13] [-4.22534858e-04 -7.72059134e-05 -4.83224571e-14] [ 7.71823336e-05 -3.31238466e-05 -3.10053198e-13] [-7.71823341e-05 3.31238475e-05 1.46466173e-13] [-1.90888971e-13 2.77305956e-13 -3.35139570e-05] [-1.11716192e-13 1.97647454e-13 3.35139561e-05] [ 4.22534857e-04 7.72059137e-05 -1.30879295e-13] [-4.22534856e-04 -7.72059138e-05 -3.27836229e-13] [ 7.71823337e-05 -3.31238457e-05 -3.06107015e-13] [-7.71823340e-05 3.31238472e-05 -2.25977779e-13] [ 7.15543076e-14 -1.07471877e-13 -3.35139576e-05] [-9.61709011e-14 1.47864618e-13 3.35139568e-05] [-2.07301693e-05 1.66367014e-04 -1.34175032e-04] [ 2.07301696e-05 -1.66367013e-04 -1.34175033e-04] [ 6.81274402e-05 1.18390339e-04 -4.18574512e-04] [-6.81274412e-05 -1.18390339e-04 -4.18574513e-04] [-2.07301697e-05 1.66367014e-04 1.34175032e-04] [ 2.07301700e-05 -1.66367013e-04 1.34175033e-04] [-6.81274411e-05 -1.18390340e-04 4.18574513e-04] [ 6.81274411e-05 1.18390340e-04 4.18574512e-04] [-2.07301701e-05 1.66367012e-04 -1.34175032e-04] [ 2.07301696e-05 -1.66367013e-04 -1.34175033e-04] [ 6.81274404e-05 1.18390339e-04 -4.18574513e-04] [-6.81274407e-05 -1.18390339e-04 -4.18574513e-04] [-2.07301688e-05 1.66367012e-04 1.34175032e-04] [ 2.07301694e-05 -1.66367014e-04 1.34175032e-04] [-6.81274403e-05 -1.18390339e-04 4.18574512e-04] [ 6.81274405e-05 1.18390339e-04 4.18574512e-04] [ 9.63562563e-13 -3.88550303e-13 1.27628463e-12] [-1.52020410e-12 -1.11499908e-12 -5.38006204e-13] [-3.86470611e-04 2.22668637e-04 2.22540767e-04] [ 3.86470609e-04 -2.22668638e-04 2.22540766e-04] [-3.86470610e-04 2.22668638e-04 -2.22540766e-04] [ 3.86470610e-04 -2.22668641e-04 -2.22540763e-04] [ 4.60023598e-05 -3.85864365e-04 8.08802629e-05] [ 4.60023593e-05 -3.85864365e-04 -8.08802627e-05] [-4.60023608e-05 3.85864363e-04 8.08802620e-05] [-4.60023602e-05 3.85864364e-04 -8.08802621e-05] [-2.92213013e-04 -2.57162033e-04 1.45827794e-12] [-3.84238946e-04 4.19198703e-04 8.73889502e-13] [ 3.84238945e-04 -4.19198705e-04 2.12075843e-12] [ 2.92213011e-04 2.57162036e-04 5.03217260e-13] [-3.86470608e-04 2.22668637e-04 2.22540766e-04] [ 3.86470611e-04 -2.22668636e-04 2.22540767e-04] [-3.86470608e-04 2.22668636e-04 -2.22540768e-04] [ 3.86470611e-04 -2.22668636e-04 -2.22540768e-04] [ 4.60023640e-05 -3.85864363e-04 8.08802595e-05] [ 4.60023626e-05 -3.85864365e-04 -8.08802604e-05] [-4.60023647e-05 3.85864365e-04 8.08802599e-05] [-4.60023596e-05 3.85864364e-04 -8.08802632e-05] [-2.92213015e-04 -2.57162032e-04 -4.28128662e-13] [-3.84238941e-04 4.19198708e-04 -2.85454020e-13] [ 3.84238944e-04 -4.19198705e-04 7.11649079e-13] [ 2.92213013e-04 2.57162035e-04 8.60543841e-13]] Final stress: [-1.52786959e-05 5.58887808e-06 5.58472376e-06 -1.23358592e-15 6.00167814e-16 -3.56764107e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.26476588e-04 -1.04313738e-04 4.41146251e-13] [ 4.26476588e-04 1.04313738e-04 2.14744889e-13] [-1.04388049e-04 1.99767767e-05 1.37116013e-13] [ 1.04388049e-04 -1.99767763e-05 -2.20101715e-14] [-1.49671942e-13 -2.00324132e-13 1.96217976e-05] [ 2.85882429e-13 -1.66283654e-13 -1.96217978e-05] [-4.26476588e-04 -1.04313738e-04 -1.80876232e-13] [ 4.26476588e-04 1.04313738e-04 -1.21884127e-13] [-1.04388049e-04 1.99767760e-05 -1.44055137e-14] [ 1.04388048e-04 -1.99767760e-05 -2.69425809e-13] [-1.10154941e-14 5.21925674e-14 1.96217980e-05] [-4.15036928e-13 1.36390455e-14 -1.96217975e-05] [ 2.77434731e-05 -1.61714610e-04 8.42197148e-05] [-2.77434722e-05 1.61714610e-04 8.42197146e-05] [-5.10323037e-05 -1.39013346e-04 3.85254328e-04] [ 5.10323040e-05 1.39013345e-04 3.85254327e-04] [ 2.77434724e-05 -1.61714610e-04 -8.42197148e-05] [-2.77434732e-05 1.61714611e-04 -8.42197144e-05] [ 5.10323041e-05 1.39013345e-04 -3.85254327e-04] [-5.10323039e-05 -1.39013345e-04 -3.85254327e-04] [ 2.77434726e-05 -1.61714611e-04 8.42197149e-05] [-2.77434724e-05 1.61714610e-04 8.42197149e-05] [-5.10323042e-05 -1.39013344e-04 3.85254327e-04] [ 5.10323050e-05 1.39013345e-04 3.85254327e-04] [ 2.77434729e-05 -1.61714610e-04 -8.42197148e-05] [-2.77434726e-05 1.61714610e-04 -8.42197145e-05] [ 5.10323030e-05 1.39013345e-04 -3.85254328e-04] [-5.10323038e-05 -1.39013345e-04 -3.85254328e-04] [ 5.82145443e-13 -5.21249710e-13 8.26116953e-13] [-7.47354002e-13 -3.28895325e-13 -4.67598082e-13] [ 3.43803465e-04 -2.34628757e-04 -2.34749439e-04] [-3.43803465e-04 2.34628756e-04 -2.34749439e-04] [ 3.43803465e-04 -2.34628758e-04 2.34749438e-04] [-3.43803466e-04 2.34628758e-04 2.34749438e-04] [-1.27454515e-04 3.44400722e-04 -2.77344147e-05] [-1.27454515e-04 3.44400722e-04 2.77344153e-05] [ 1.27454514e-04 -3.44400724e-04 -2.77344156e-05] [ 1.27454515e-04 -3.44400723e-04 2.77344149e-05] [ 1.98738102e-04 2.98686216e-04 -1.32116540e-14] [ 4.53632148e-04 -3.53898487e-04 8.84396723e-14] [-4.53632149e-04 3.53898485e-04 -1.29083202e-12] [-1.98738100e-04 -2.98686217e-04 -3.29425723e-13] [ 3.43803465e-04 -2.34628758e-04 -2.34749438e-04] [-3.43803465e-04 2.34628759e-04 -2.34749437e-04] [ 3.43803466e-04 -2.34628756e-04 2.34749439e-04] [-3.43803465e-04 2.34628759e-04 2.34749436e-04] [-1.27454515e-04 3.44400723e-04 -2.77344156e-05] [-1.27454514e-04 3.44400723e-04 2.77344162e-05] [ 1.27454515e-04 -3.44400723e-04 -2.77344145e-05] [ 1.27454514e-04 -3.44400723e-04 2.77344161e-05] [ 1.98738100e-04 2.98686217e-04 1.13168029e-12] [ 4.53632149e-04 -3.53898485e-04 3.38256604e-13] [-4.53632148e-04 3.53898486e-04 4.82192984e-13] [-1.98738100e-04 -2.98686216e-04 1.52093615e-13]] Final stress: [ 1.55008510e-05 -5.56935202e-06 -5.57315635e-06 8.37923401e-16 3.49134750e-16 3.22365903e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.20351377e-04 1.15054569e-04 -2.85474769e-14] [ 4.20351377e-04 -1.15054569e-04 2.13357110e-13] [ 1.15134480e-04 3.06771926e-05 2.89039626e-14] [-1.15134479e-04 -3.06771932e-05 -7.62723218e-14] [ 2.51396560e-13 1.65444047e-13 3.03232268e-05] [-3.33066907e-14 3.79418719e-13 -3.03232274e-05] [-4.20351377e-04 1.15054570e-04 2.43170170e-13] [ 4.20351377e-04 -1.15054570e-04 6.99664263e-14] [ 1.15134479e-04 3.06771932e-05 -1.87811463e-14] [-1.15134479e-04 -3.06771931e-05 4.02625530e-13] [ 5.04513965e-14 -2.97012695e-14 3.03232261e-05] [ 1.20988289e-14 -5.89523288e-14 -3.03232266e-05] [ 4.84870866e-05 -1.39819936e-04 -3.76787364e-04] [-4.84870859e-05 1.39819936e-04 -3.76787364e-04] [-2.52217907e-05 -1.62476703e-04 -7.41871664e-05] [ 2.52217914e-05 1.62476703e-04 -7.41871666e-05] [ 4.84870868e-05 -1.39819936e-04 3.76787364e-04] [-4.84870861e-05 1.39819936e-04 3.76787364e-04] [ 2.52217914e-05 1.62476703e-04 7.41871664e-05] [-2.52217913e-05 -1.62476702e-04 7.41871661e-05] [ 4.84870860e-05 -1.39819937e-04 -3.76787364e-04] [-4.84870863e-05 1.39819936e-04 -3.76787363e-04] [-2.52217911e-05 -1.62476701e-04 -7.41871664e-05] [ 2.52217913e-05 1.62476702e-04 -7.41871667e-05] [ 4.84870856e-05 -1.39819936e-04 3.76787364e-04] [-4.84870867e-05 1.39819936e-04 3.76787364e-04] [ 2.52217913e-05 1.62476703e-04 7.41871657e-05] [-2.52217912e-05 -1.62476702e-04 7.41871669e-05] [ 1.08626996e-12 4.15084633e-13 5.42704770e-13] [-7.43247044e-13 -9.80384219e-14 1.56679806e-13] [-3.49955562e-04 -2.37595414e-04 -2.37717028e-04] [ 3.49955559e-04 2.37595412e-04 -2.37717030e-04] [-3.49955561e-04 -2.37595413e-04 2.37717030e-04] [ 3.49955562e-04 2.37595412e-04 2.37717030e-04] [-1.18137924e-04 -3.50557784e-04 -4.25150460e-05] [-1.18137924e-04 -3.50557785e-04 4.25150453e-05] [ 1.18137924e-04 3.50557784e-04 -4.25150467e-05] [ 1.18137924e-04 3.50557785e-04 4.25150462e-05] [-4.41601566e-04 -3.65955197e-04 1.14663834e-12] [-2.05337775e-04 2.81180587e-04 -5.39079198e-13] [ 2.05337775e-04 -2.81180587e-04 6.99607039e-13] [ 4.41601564e-04 3.65955200e-04 -3.04610503e-13] [-3.49955561e-04 -2.37595413e-04 -2.37717030e-04] [ 3.49955561e-04 2.37595411e-04 -2.37717031e-04] [-3.49955560e-04 -2.37595412e-04 2.37717030e-04] [ 3.49955561e-04 2.37595411e-04 2.37717031e-04] [-1.18137925e-04 -3.50557785e-04 -4.25150451e-05] [-1.18137924e-04 -3.50557784e-04 4.25150463e-05] [ 1.18137924e-04 3.50557785e-04 -4.25150452e-05] [ 1.18137926e-04 3.50557785e-04 4.25150431e-05] [-4.41601565e-04 -3.65955200e-04 -2.04078399e-13] [-2.05337775e-04 2.81180587e-04 1.06290488e-12] [ 2.05337777e-04 -2.81180586e-04 1.13107298e-13] [ 4.41601563e-04 3.65955200e-04 -7.53451988e-13]] Final stress: [ 1.55227878e-05 -5.48442656e-06 -5.48815793e-06 -2.84295440e-16 3.12558729e-16 -3.11612131e-06] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.52595829e-04 7.76457891e-14 4.38542432e-14] [ 4.52595828e-04 2.83106871e-15 -1.50157664e-14] [-2.43516145e-14 -7.04784975e-04 -1.74383077e-15] [ 5.14033260e-14 7.04784975e-04 -7.63278329e-14] [-1.88113414e-14 -6.09113454e-14 -4.52595829e-04] [ 1.43496326e-14 -4.94604357e-14 4.52595828e-04] [-4.52595828e-04 1.16655817e-14 -1.56198779e-14] [ 4.52595829e-04 4.50702843e-14 -1.06529854e-13] [-7.85786367e-14 -7.04784975e-04 -1.91506831e-13] [-3.89718639e-14 7.04784976e-04 -1.03226839e-13] [-1.63906215e-13 4.93884177e-14 -4.52595828e-04] [-1.37207520e-13 -6.46855786e-14 4.52595829e-04] [-1.79971241e-04 1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 -1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 1.31375020e-04 1.79971241e-04] [-1.79971241e-04 -1.31375020e-04 1.79971241e-04] [-1.79971241e-04 1.31375020e-04 1.79971241e-04] [ 1.79971241e-04 -1.31375020e-04 1.79971241e-04] [-1.79971241e-04 -1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 1.31375020e-04 -1.79971241e-04] [-1.79971241e-04 1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 -1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 1.31375020e-04 1.79971241e-04] [-1.79971241e-04 -1.31375020e-04 1.79971241e-04] [-1.79971241e-04 1.31375020e-04 1.79971241e-04] [ 1.79971241e-04 -1.31375020e-04 1.79971241e-04] [-1.79971241e-04 -1.31375020e-04 -1.79971241e-04] [ 1.79971241e-04 1.31375020e-04 -1.79971240e-04] [ 4.53831417e-13 -6.92501612e-14 2.86409785e-13] [-1.54950271e-13 -1.56906174e-13 2.79361319e-14] [-2.21045404e-13 -2.09632899e-04 7.30698729e-05] [-4.36647246e-13 2.09632898e-04 7.30698722e-05] [-2.77507184e-13 -2.09632899e-04 -7.30698731e-05] [-4.41880907e-13 2.09632899e-04 -7.30698729e-05] [-3.53421174e-04 -4.74065232e-14 -3.53421174e-04] [-3.53421175e-04 -2.14115184e-13 3.53421174e-04] [ 3.53421173e-04 2.24511382e-13 -3.53421175e-04] [ 3.53421174e-04 -1.94986388e-13 3.53421174e-04] [ 7.30698720e-05 -2.09632898e-04 -3.92574862e-13] [-7.30698728e-05 -2.09632899e-04 -4.64203329e-13] [ 7.30698727e-05 2.09632899e-04 -4.81888834e-14] [-7.30698731e-05 2.09632899e-04 -3.41133372e-14] [ 2.52752246e-13 -2.09632899e-04 7.30698730e-05] [ 4.06760563e-13 2.09632899e-04 7.30698728e-05] [ 5.03045522e-13 -2.09632899e-04 -7.30698729e-05] [ 5.69415608e-13 2.09632899e-04 -7.30698724e-05] [-3.53421174e-04 -8.69885106e-14 -3.53421174e-04] [-3.53421174e-04 1.30926736e-13 3.53421175e-04] [ 3.53421175e-04 -1.64202419e-13 -3.53421173e-04] [ 3.53421174e-04 6.75683468e-14 3.53421174e-04] [ 7.30698729e-05 -2.09632899e-04 4.69300715e-13] [-7.30698724e-05 -2.09632898e-04 2.51748993e-13] [ 7.30698734e-05 2.09632899e-04 2.07904213e-13] [-7.30698728e-05 2.09632899e-04 9.39092554e-15]] Final stress: [-9.68908385e-06 2.01846191e-05 -9.68908385e-06 -7.98029897e-17 8.31281143e-18 7.81404274e-17] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.80133359e-03 -2.81680365e-12 1.64761260e-12] [-2.80133358e-03 1.70591319e-12 4.83710294e-12] [ 1.43939587e-11 3.60495689e-02 2.68896060e-12] [ 9.99142435e-12 -3.60495689e-02 3.75308118e-12] [ 1.14726484e-11 1.06288849e-12 -2.92550482e-02] [ 1.26956223e-11 2.67755262e-12 2.92550481e-02] [ 2.80133358e-03 -4.08923503e-12 6.76027240e-13] [-2.80133358e-03 1.79068739e-12 6.30350890e-15] [-5.84469105e-12 3.60495689e-02 -9.34023961e-14] [-3.47877283e-12 -3.60495689e-02 6.66080650e-13] [ 9.91875419e-13 1.12838983e-12 -2.92550482e-02] [ 2.31739324e-12 -1.38947205e-12 2.92550482e-02] [-5.39916108e-04 3.93896061e-03 -4.25746825e-03] [ 5.39916108e-04 -3.93896061e-03 -4.25746825e-03] [ 5.39916107e-04 3.93896061e-03 4.25746825e-03] [-5.39916107e-04 -3.93896061e-03 4.25746824e-03] [-5.39916109e-04 3.93896060e-03 4.25746824e-03] [ 5.39916110e-04 -3.93896061e-03 4.25746825e-03] [-5.39916112e-04 -3.93896061e-03 -4.25746825e-03] [ 5.39916107e-04 3.93896061e-03 -4.25746825e-03] [-5.39916128e-04 3.93896061e-03 -4.25746824e-03] [ 5.39916105e-04 -3.93896061e-03 -4.25746824e-03] [ 5.39916103e-04 3.93896061e-03 4.25746825e-03] [-5.39916125e-04 -3.93896061e-03 4.25746824e-03] [-5.39916123e-04 3.93896061e-03 4.25746824e-03] [ 5.39916104e-04 -3.93896061e-03 4.25746824e-03] [-5.39916121e-04 -3.93896061e-03 -4.25746825e-03] [ 5.39916102e-04 3.93896061e-03 -4.25746825e-03] [ 1.02538533e-11 1.69783632e-12 5.31646949e-12] [-2.57368215e-12 6.57289696e-12 4.19346101e-12] [ 6.66766642e-12 -5.39897263e-03 2.90490033e-03] [-5.27757352e-12 5.39897264e-03 2.90490032e-03] [ 1.04362265e-11 -5.39897263e-03 -2.90490032e-03] [ 2.39062936e-12 5.39897266e-03 -2.90490033e-03] [-2.49835893e-03 -1.41867629e-11 1.66703531e-03] [-2.49835893e-03 -9.44459788e-12 -1.66703530e-03] [ 2.49835894e-03 -7.94259797e-12 1.66703530e-03] [ 2.49835895e-03 -2.58832712e-12 -1.66703530e-03] [ 1.91354643e-03 -2.28007830e-03 -3.10185211e-12] [-1.91354643e-03 -2.28007833e-03 -1.08414493e-12] [ 1.91354642e-03 2.28007831e-03 5.38664426e-12] [-1.91354644e-03 2.28007833e-03 -1.15796660e-11] [ 3.75804986e-12 -5.39897264e-03 2.90490035e-03] [-1.18918330e-12 5.39897265e-03 2.90490034e-03] [-2.63980374e-12 -5.39897264e-03 -2.90490034e-03] [ 3.13848166e-12 5.39897266e-03 -2.90490035e-03] [-2.49835893e-03 -8.33246239e-12 1.66703529e-03] [-2.49835892e-03 -5.14263718e-12 -1.66703528e-03] [ 2.49835893e-03 -5.57171670e-12 1.66703531e-03] [ 2.49835893e-03 2.46460838e-12 -1.66703531e-03] [ 1.91354644e-03 -2.28007833e-03 9.17002242e-12] [-1.91354643e-03 -2.28007832e-03 5.48505242e-12] [ 1.91354643e-03 2.28007832e-03 3.51046439e-12] [-1.91354645e-03 2.28007833e-03 -7.86154562e-13]] Final stress: [ 1.53778104e-05 -2.68028737e-04 2.84928346e-04 -2.75980076e-15 -3.79888236e-15 -4.40903109e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.80133361e-03 -2.58996730e-12 2.51028668e-12] [-2.80133361e-03 -1.25599531e-12 6.31217301e-13] [ 7.09339488e-12 -2.92550483e-02 5.15927925e-12] [ 9.33331190e-12 2.92550483e-02 5.17710874e-12] [ 1.26867158e-11 2.96436053e-13 3.60495691e-02] [ 1.15283338e-11 -3.61960462e-13 -3.60495691e-02] [ 2.80133360e-03 -6.01132165e-12 -1.81080901e-12] [-2.80133359e-03 6.82931576e-13 2.61772661e-12] [-1.83789052e-12 -2.92550483e-02 -3.09300361e-12] [-2.09801967e-12 2.92550483e-02 3.24730546e-12] [ 7.78531319e-13 1.47590477e-12 3.60495691e-02] [-4.06575685e-12 -5.21254414e-12 -3.60495691e-02] [-5.39916110e-04 -4.25746827e-03 3.93896063e-03] [ 5.39916116e-04 4.25746828e-03 3.93896063e-03] [ 5.39916115e-04 -4.25746828e-03 -3.93896064e-03] [-5.39916112e-04 4.25746826e-03 -3.93896064e-03] [-5.39916110e-04 -4.25746827e-03 -3.93896064e-03] [ 5.39916119e-04 4.25746828e-03 -3.93896064e-03] [-5.39916114e-04 4.25746827e-03 3.93896063e-03] [ 5.39916115e-04 -4.25746828e-03 3.93896062e-03] [-5.39916130e-04 -4.25746827e-03 3.93896062e-03] [ 5.39916105e-04 4.25746827e-03 3.93896062e-03] [ 5.39916106e-04 -4.25746827e-03 -3.93896063e-03] [-5.39916125e-04 4.25746827e-03 -3.93896063e-03] [-5.39916127e-04 -4.25746827e-03 -3.93896063e-03] [ 5.39916106e-04 4.25746827e-03 -3.93896064e-03] [-5.39916126e-04 4.25746827e-03 3.93896062e-03] [ 5.39916108e-04 -4.25746826e-03 3.93896062e-03] [ 2.64391009e-11 7.31281702e-12 1.82789894e-11] [-1.11134808e-11 6.89931330e-12 8.91414102e-12] [ 1.37945211e-12 2.90490037e-03 -5.39897268e-03] [-5.79506582e-12 -2.90490037e-03 -5.39897269e-03] [ 4.96935826e-13 2.90490036e-03 5.39897269e-03] [-1.29132000e-11 -2.90490035e-03 5.39897269e-03] [ 1.91354646e-03 1.18849375e-12 -2.28007832e-03] [ 1.91354646e-03 -1.24083591e-11 2.28007833e-03] [-1.91354646e-03 1.91130792e-12 -2.28007834e-03] [-1.91354645e-03 -8.46010068e-12 2.28007834e-03] [-2.49835899e-03 1.66703536e-03 -3.12105897e-12] [ 2.49835897e-03 1.66703534e-03 3.50406856e-12] [-2.49835896e-03 -1.66703534e-03 1.28987342e-11] [ 2.49835894e-03 -1.66703531e-03 1.11891243e-11] [ 5.25775040e-12 2.90490037e-03 -5.39897268e-03] [-1.31040578e-12 -2.90490038e-03 -5.39897270e-03] [ 5.18426664e-12 2.90490035e-03 5.39897267e-03] [ 4.40431285e-12 -2.90490038e-03 5.39897271e-03] [ 1.91354645e-03 -6.08095868e-12 -2.28007834e-03] [ 1.91354645e-03 -3.53118576e-13 2.28007834e-03] [-1.91354644e-03 -1.13525240e-11 -2.28007831e-03] [-1.91354643e-03 -3.94061520e-12 2.28007831e-03] [-2.49835894e-03 1.66703531e-03 1.07623586e-11] [ 2.49835895e-03 1.66703533e-03 9.02906351e-12] [-2.49835894e-03 -1.66703531e-03 4.00874272e-12] [ 2.49835893e-03 -1.66703532e-03 1.73612600e-12]] Final stress: [ 1.53778105e-05 2.84928347e-04 -2.68028739e-04 -1.50791523e-15 5.52458910e-15 -3.37826213e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.04473393e-04 -1.12307733e-13 -7.46820140e-14] [-2.04473394e-04 -1.31838984e-14 -2.79276602e-13] [ 2.55137057e-13 -4.43939963e-04 1.21699959e-13] [ 3.18467475e-13 4.43939964e-04 -2.39114284e-13] [ 4.91444125e-13 -1.20468739e-13 -4.43939964e-04] [ 4.70179451e-13 -1.55209179e-13 4.43939963e-04] [ 2.04473393e-04 2.94464540e-13 -1.20921573e-13] [-2.04473394e-04 2.91302139e-13 3.21356804e-13] [-1.25809085e-13 -4.43939964e-04 -1.24152123e-13] [-4.29509726e-13 4.43939963e-04 1.87471176e-13] [-5.07071381e-13 -1.14378796e-13 -4.43939964e-04] [-2.97567092e-13 1.69735547e-13 4.43939963e-04] [-2.87331478e-04 -8.51764932e-05 -8.51764937e-05] [ 2.87331479e-04 8.51764935e-05 -8.51764927e-05] [ 2.87331479e-04 -8.51764931e-05 8.51764929e-05] [-2.87331478e-04 8.51764925e-05 8.51764927e-05] [-2.87331478e-04 -8.51764932e-05 8.51764930e-05] [ 2.87331478e-04 8.51764933e-05 8.51764932e-05] [-2.87331478e-04 8.51764928e-05 -8.51764924e-05] [ 2.87331479e-04 -8.51764928e-05 -8.51764930e-05] [-2.87331479e-04 -8.51764932e-05 -8.51764933e-05] [ 2.87331478e-04 8.51764939e-05 -8.51764935e-05] [ 2.87331477e-04 -8.51764917e-05 8.51764925e-05] [-2.87331478e-04 8.51764931e-05 8.51764932e-05] [-2.87331478e-04 -8.51764938e-05 8.51764929e-05] [ 2.87331477e-04 8.51764934e-05 8.51764933e-05] [-2.87331479e-04 8.51764937e-05 -8.51764936e-05] [ 2.87331477e-04 -8.51764922e-05 -8.51764928e-05] [ 2.01955119e-12 -1.44881329e-12 1.84285920e-12] [ 1.91560309e-13 1.58568383e-13 4.19981808e-13] [ 1.44884105e-13 5.03300986e-05 5.03300999e-05] [ 1.40510520e-12 -5.03300984e-05 5.03301011e-05] [-1.19228065e-12 5.03301021e-05 -5.03300968e-05] [ 7.08199124e-13 -5.03300989e-05 -5.03301010e-05] [-4.38320908e-05 1.03939080e-12 -7.92103152e-05] [-4.38320904e-05 1.42159375e-12 7.92103159e-05] [ 4.38320895e-05 9.24024746e-13 -7.92103174e-05] [ 4.38320904e-05 2.26745706e-13 7.92103163e-05] [-4.38320908e-05 -7.92103154e-05 1.27764466e-12] [ 4.38320912e-05 -7.92103168e-05 1.23170224e-12] [-4.38320856e-05 7.92103200e-05 4.58359045e-13] [ 4.38320881e-05 7.92103182e-05 4.11341100e-13] [-8.28383369e-13 5.03300970e-05 5.03301023e-05] [ 2.39278215e-13 -5.03301004e-05 5.03300980e-05] [-6.00898237e-13 5.03300971e-05 -5.03301014e-05] [ 1.05856990e-12 -5.03300996e-05 -5.03300986e-05] [-4.38320885e-05 -2.15625122e-12 -7.92103176e-05] [-4.38320912e-05 -7.16265589e-13 7.92103154e-05] [ 4.38320877e-05 -2.64896265e-12 -7.92103183e-05] [ 4.38320896e-05 -1.73295362e-12 7.92103167e-05] [-4.38320897e-05 -7.92103171e-05 1.22416182e-12] [ 4.38320884e-05 -7.92103174e-05 2.30966837e-13] [-4.38320891e-05 7.92103172e-05 -5.62310029e-13] [ 4.38320916e-05 7.92103143e-05 -1.12219782e-12]] Final stress: [-1.74884976e-05 4.77684383e-06 4.77684382e-06 -6.65024914e-18 -3.65763703e-17 2.72660215e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.73968824e-05 6.25857872e-14 -1.49746968e-13] [ 2.73968814e-05 5.06789055e-13 1.75720549e-13] [-8.54672236e-14 4.23035883e-04 -8.32174028e-05] [-1.86406446e-13 -4.23035882e-04 8.32174026e-05] [ 4.57494719e-13 -8.31857456e-05 -2.70075848e-05] [ 3.54161145e-14 8.31857454e-05 2.70075833e-05] [-2.73968820e-05 2.78696771e-13 -8.82347298e-14] [ 2.73968823e-05 1.57270898e-13 -2.44114777e-13] [ 2.53433559e-13 4.23035883e-04 -8.32174028e-05] [-3.16167665e-13 -4.23035882e-04 8.32174030e-05] [ 3.08303730e-15 -8.31857453e-05 -2.70075840e-05] [-1.75204035e-13 8.31857455e-05 2.70075840e-05] [ 4.15949145e-04 -6.50748187e-05 1.21804985e-04] [ 1.32469146e-04 2.54401065e-05 1.62027906e-04] [ 1.32469146e-04 -2.54401066e-05 -1.62027907e-04] [ 4.15949145e-04 6.50748188e-05 -1.21804984e-04] [-1.32469146e-04 -2.54401065e-05 -1.62027906e-04] [-4.15949144e-04 6.50748190e-05 -1.21804985e-04] [-1.32469146e-04 2.54401063e-05 1.62027906e-04] [-4.15949144e-04 -6.50748186e-05 1.21804984e-04] [ 4.15949145e-04 -6.50748197e-05 1.21804985e-04] [ 1.32469146e-04 2.54401067e-05 1.62027906e-04] [ 1.32469145e-04 -2.54401054e-05 -1.62027906e-04] [ 4.15949144e-04 6.50748190e-05 -1.21804985e-04] [-1.32469145e-04 -2.54401070e-05 -1.62027906e-04] [-4.15949144e-04 6.50748187e-05 -1.21804985e-04] [-1.32469145e-04 2.54401070e-05 1.62027906e-04] [-4.15949144e-04 -6.50748182e-05 1.21804985e-04] [ 7.81874565e-13 -1.12396203e-12 1.10733644e-12] [ 2.67717272e-13 -3.85433477e-13 -4.48876974e-13] [-2.17692531e-12 3.81353419e-04 4.26732284e-04] [-1.25539683e-12 3.01343536e-04 -2.55868301e-04] [-3.61799132e-13 -3.01343536e-04 2.55868302e-04] [-7.98390867e-13 -3.81353418e-04 -4.26732284e-04] [ 2.23053603e-04 3.78524861e-04 2.23183469e-04] [ 2.23053601e-04 -3.78524860e-04 -2.23183471e-04] [-2.23053605e-04 3.78524860e-04 2.23183468e-04] [-2.23053604e-04 -3.78524861e-04 -2.23183468e-04] [ 8.52930274e-05 3.99954462e-05 3.77916038e-04] [-8.52930290e-05 3.99954437e-05 3.77916036e-04] [ 8.52930288e-05 -3.99954456e-05 -3.77916035e-04] [-8.52930303e-05 -3.99954435e-05 -3.77916036e-04] [ 1.29509597e-12 3.81353418e-04 4.26732285e-04] [ 1.27322935e-12 3.01343537e-04 -2.55868300e-04] [ 6.27921326e-13 -3.01343538e-04 2.55868300e-04] [ 2.36965829e-13 -3.81353418e-04 -4.26732285e-04] [ 2.23053605e-04 3.78524860e-04 2.23183467e-04] [ 2.23053606e-04 -3.78524860e-04 -2.23183467e-04] [-2.23053605e-04 3.78524859e-04 2.23183468e-04] [-2.23053603e-04 -3.78524860e-04 -2.23183470e-04] [ 8.52930284e-05 3.99954447e-05 3.77916038e-04] [-8.52930273e-05 3.99954475e-05 3.77916038e-04] [ 8.52930288e-05 -3.99954449e-05 -3.77916037e-04] [-8.52930264e-05 -3.99954479e-05 -3.77916036e-04]] Final stress: [ 5.57785695e-06 -1.52425490e-05 5.58202022e-06 3.49899878e-06 6.81631035e-17 4.85454298e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.15882905e-05 1.17967702e-13 1.59470961e-13] [ 3.15882898e-05 -1.10078613e-13 -1.56569202e-13] [-1.92015674e-13 4.21434376e-04 8.57020236e-05] [ 7.40102424e-13 -4.21434376e-04 -8.57020238e-05] [-9.74090600e-14 8.56700012e-05 -3.11990907e-05] [ 2.49772425e-13 -8.56700014e-05 3.11990904e-05] [-3.15882907e-05 -1.29889589e-13 -1.17442795e-14] [ 3.15882909e-05 -2.05781572e-15 -2.26928289e-13] [-1.90820450e-13 4.21434376e-04 8.57020237e-05] [-1.55247343e-13 -4.21434375e-04 -8.57020241e-05] [-9.90431695e-14 8.56700012e-05 -3.11990912e-05] [-4.83567613e-13 -8.56700015e-05 3.11990901e-05] [-1.29570028e-04 -2.38159821e-05 1.63055861e-04] [-4.13734108e-04 6.48169803e-05 1.21460945e-04] [-4.13734108e-04 -6.48169802e-05 -1.21460946e-04] [-1.29570028e-04 2.38159818e-05 -1.63055861e-04] [ 4.13734108e-04 -6.48169804e-05 -1.21460946e-04] [ 1.29570028e-04 2.38159824e-05 -1.63055861e-04] [ 4.13734108e-04 6.48169801e-05 1.21460945e-04] [ 1.29570029e-04 -2.38159822e-05 1.63055862e-04] [-1.29570030e-04 -2.38159819e-05 1.63055860e-04] [-4.13734108e-04 6.48169802e-05 1.21460946e-04] [-4.13734109e-04 -6.48169799e-05 -1.21460946e-04] [-1.29570028e-04 2.38159827e-05 -1.63055861e-04] [ 4.13734107e-04 -6.48169798e-05 -1.21460946e-04] [ 1.29570028e-04 2.38159821e-05 -1.63055862e-04] [ 4.13734107e-04 6.48169807e-05 1.21460946e-04] [ 1.29570028e-04 -2.38159824e-05 1.63055862e-04] [ 1.59769420e-12 -4.03399536e-13 4.27602398e-13] [ 9.54366794e-14 -4.93179113e-13 8.93500149e-13] [-6.15840712e-13 -3.02168583e-04 -2.50512911e-04] [-7.92765159e-13 -3.77830070e-04 4.29396245e-04] [ 6.70727363e-13 3.77830070e-04 -4.29396245e-04] [-1.20455208e-12 3.02168583e-04 2.50512912e-04] [ 2.23845165e-04 -3.82053310e-04 2.23975149e-04] [ 2.23845166e-04 3.82053307e-04 -2.23975147e-04] [-2.23845166e-04 -3.82053308e-04 2.23975146e-04] [-2.23845166e-04 3.82053307e-04 -2.23975146e-04] [ 8.93029196e-05 3.78215919e-05 -3.81442939e-04] [-8.93029218e-05 3.78215892e-05 -3.81442940e-04] [ 8.93029189e-05 -3.78215923e-05 3.81442941e-04] [-8.93029195e-05 -3.78215911e-05 3.81442941e-04] [ 4.18366296e-13 -3.02168581e-04 -2.50512915e-04] [ 3.41814251e-14 -3.77830071e-04 4.29396244e-04] [ 4.51427090e-13 3.77830072e-04 -4.29396243e-04] [ 1.52227840e-12 3.02168584e-04 2.50512912e-04] [ 2.23845165e-04 -3.82053307e-04 2.23975148e-04] [ 2.23845165e-04 3.82053308e-04 -2.23975147e-04] [-2.23845164e-04 -3.82053308e-04 2.23975149e-04] [-2.23845162e-04 3.82053308e-04 -2.23975150e-04] [ 8.93029220e-05 3.78215888e-05 -3.81442940e-04] [-8.93029208e-05 3.78215907e-05 -3.81442941e-04] [ 8.93029219e-05 -3.78215888e-05 3.81442941e-04] [-8.93029217e-05 -3.78215892e-05 3.81442940e-04]] Final stress: [ 5.55432382e-06 -1.52566810e-05 5.55846074e-06 -3.47575480e-06 7.33168992e-16 -1.26517370e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.49939921e-05 6.12873467e-14 -1.41416826e-13] [-2.49939925e-05 2.81524803e-13 1.31533673e-13] [ 4.02199975e-13 -4.24168653e-04 -9.50126610e-05] [ 9.75330927e-14 4.24168654e-04 9.50126610e-05] [-1.10104200e-13 -9.50737773e-05 2.53497580e-05] [-2.94486657e-14 9.50737774e-05 -2.53497587e-05] [ 2.49939932e-05 -9.96637668e-14 2.77541784e-13] [-2.49939921e-05 1.58514694e-13 -2.16402373e-13] [-3.56615779e-13 -4.24168652e-04 -9.50126610e-05] [ 4.26473093e-14 4.24168653e-04 9.50126613e-05] [ 6.47632989e-14 -9.50737775e-05 2.53497586e-05] [-1.06043212e-13 9.50737775e-05 -2.53497582e-05] [ 8.75689067e-05 2.19866130e-05 -1.66615165e-04] [ 3.89027176e-04 -5.46463496e-05 -1.34530664e-04] [ 3.89027175e-04 5.46463490e-05 1.34530663e-04] [ 8.75689065e-05 -2.19866122e-05 1.66615165e-04] [-3.89027176e-04 5.46463493e-05 1.34530663e-04] [-8.75689064e-05 -2.19866126e-05 1.66615166e-04] [-3.89027176e-04 -5.46463495e-05 -1.34530663e-04] [-8.75689070e-05 2.19866126e-05 -1.66615165e-04] [ 8.75689070e-05 2.19866123e-05 -1.66615165e-04] [ 3.89027176e-04 -5.46463492e-05 -1.34530662e-04] [ 3.89027175e-04 5.46463488e-05 1.34530663e-04] [ 8.75689069e-05 -2.19866127e-05 1.66615165e-04] [-3.89027176e-04 5.46463494e-05 1.34530663e-04] [-8.75689073e-05 -2.19866128e-05 1.66615165e-04] [-3.89027176e-04 -5.46463491e-05 -1.34530664e-04] [-8.75689068e-05 2.19866124e-05 -1.66615165e-04] [ 4.88165064e-13 -2.07972528e-13 5.25857136e-13] [-3.55006389e-13 -4.01777086e-13 -5.78274321e-13] [-1.26454403e-13 2.07358121e-04 2.82893600e-04] [-2.66876798e-13 4.37820806e-04 -3.62477625e-04] [ 1.86309301e-14 -4.37820805e-04 3.62477626e-04] [-2.07844159e-13 -2.07358120e-04 -2.82893601e-04] [-2.35003695e-04 3.51362395e-04 -2.34884498e-04] [-2.35003695e-04 -3.51362394e-04 2.34884498e-04] [ 2.35003695e-04 3.51362394e-04 -2.34884499e-04] [ 2.35003695e-04 -3.51362394e-04 2.34884499e-04] [-3.99198840e-05 -1.15239907e-04 3.51955690e-04] [ 3.99198829e-05 -1.15239908e-04 3.51955690e-04] [-3.99198831e-05 1.15239908e-04 -3.51955690e-04] [ 3.99198821e-05 1.15239909e-04 -3.51955690e-04] [ 1.20809439e-12 2.07358118e-04 2.82893603e-04] [ 6.16562357e-13 4.37820806e-04 -3.62477624e-04] [ 9.88089818e-13 -4.37820807e-04 3.62477624e-04] [ 8.48318811e-14 -2.07358118e-04 -2.82893603e-04] [-2.35003692e-04 3.51362394e-04 -2.34884501e-04] [-2.35003692e-04 -3.51362395e-04 2.34884500e-04] [ 2.35003693e-04 3.51362394e-04 -2.34884500e-04] [ 2.35003693e-04 -3.51362395e-04 2.34884500e-04] [-3.99198843e-05 -1.15239907e-04 3.51955690e-04] [ 3.99198847e-05 -1.15239906e-04 3.51955689e-04] [-3.99198852e-05 1.15239906e-04 -3.51955689e-04] [ 3.99198857e-05 1.15239905e-04 -3.51955689e-04]] Final stress: [-5.55687173e-06 1.54675805e-05 -5.55307149e-06 3.32470377e-06 2.41069232e-16 -3.37496925e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.29468949e-05 9.37917279e-14 -7.85396054e-14] [-1.29468945e-05 3.71924713e-14 8.45434833e-14] [ 1.97502171e-13 -4.27744260e-04 1.30921596e-04] [ 2.97595282e-13 4.27744260e-04 -1.30921596e-04] [ 1.04431221e-13 1.31027623e-04 1.32994898e-05] [-3.32789352e-14 -1.31027622e-04 -1.32994907e-05] [ 1.29468959e-05 -1.47291034e-14 2.70452948e-14] [-1.29468948e-05 -2.35592795e-14 -2.07496397e-13] [-1.52097085e-13 -4.27744260e-04 1.30921596e-04] [-2.07285144e-13 4.27744260e-04 -1.30921597e-04] [ 7.41980262e-14 1.31027623e-04 1.32994897e-05] [ 1.07820870e-13 -1.31027622e-04 -1.32994898e-05] [-3.71944481e-04 4.13848190e-05 -1.49429437e-04] [-7.12583723e-05 -3.92229246e-05 -1.50964833e-04] [-7.12583730e-05 3.92229248e-05 1.50964833e-04] [-3.71944481e-04 -4.13848186e-05 1.49429438e-04] [ 7.12583733e-05 3.92229249e-05 1.50964833e-04] [ 3.71944482e-04 -4.13848184e-05 1.49429438e-04] [ 7.12583727e-05 -3.92229249e-05 -1.50964833e-04] [ 3.71944481e-04 4.13848193e-05 -1.49429438e-04] [-3.71944482e-04 4.13848185e-05 -1.49429438e-04] [-7.12583730e-05 -3.92229251e-05 -1.50964833e-04] [-7.12583730e-05 3.92229250e-05 1.50964833e-04] [-3.71944481e-04 -4.13848186e-05 1.49429438e-04] [ 7.12583721e-05 3.92229249e-05 1.50964833e-04] [ 3.71944481e-04 -4.13848187e-05 1.49429437e-04] [ 7.12583721e-05 -3.92229253e-05 -1.50964833e-04] [ 3.71944481e-04 4.13848188e-05 -1.49429438e-04] [ 4.63462602e-13 2.06001882e-13 1.50379709e-13] [-1.16870099e-12 -1.34630927e-12 -6.21701622e-13] [-9.22262267e-13 -4.76601857e-04 -3.46590576e-04] [-7.70309164e-13 -1.88815219e-04 3.19074872e-04] [ 2.46441756e-13 1.88815218e-04 -3.19074873e-04] [-1.65097103e-13 4.76601857e-04 3.46590576e-04] [-2.36059961e-04 -3.29751002e-04 -2.35935193e-04] [-2.36059964e-04 3.29751001e-04 2.35935192e-04] [ 2.36059961e-04 -3.29751002e-04 -2.35935195e-04] [ 2.36059964e-04 3.29751002e-04 2.35935192e-04] [-1.38869608e-05 -1.43897560e-04 -3.30359359e-04] [ 1.38869594e-05 -1.43897561e-04 -3.30359360e-04] [-1.38869598e-05 1.43897561e-04 3.30359359e-04] [ 1.38869592e-05 1.43897561e-04 3.30359359e-04] [-7.38382012e-13 -4.76601855e-04 -3.46590578e-04] [ 3.55189402e-13 -1.88815221e-04 3.19074871e-04] [ 2.21580133e-13 1.88815222e-04 -3.19074870e-04] [ 1.07904137e-13 4.76601853e-04 3.46590580e-04] [-2.36059966e-04 -3.29751002e-04 -2.35935190e-04] [-2.36059965e-04 3.29751002e-04 2.35935191e-04] [ 2.36059966e-04 -3.29751002e-04 -2.35935190e-04] [ 2.36059966e-04 3.29751002e-04 2.35935189e-04] [-1.38869573e-05 -1.43897564e-04 -3.30359358e-04] [ 1.38869581e-05 -1.43897563e-04 -3.30359358e-04] [-1.38869568e-05 1.43897563e-04 3.30359359e-04] [ 1.38869564e-05 1.43897563e-04 3.30359360e-04]] Final stress: [-5.55287013e-06 1.55612104e-05 -5.54908688e-06 -2.93896930e-06 2.82632893e-17 1.11390611e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.49573959e-05 -2.69597279e-13 -8.24440047e-05] [ 2.49573955e-05 5.00988140e-14 8.24440050e-05] [ 1.93295900e-14 4.23839998e-04 3.65000131e-13] [ 1.20098376e-13 -4.23839998e-04 4.97657471e-14] [-8.24440046e-05 -4.11754832e-13 -2.49573953e-05] [ 8.24440046e-05 -2.50188759e-13 2.49573947e-05] [-2.49573950e-05 -2.64626862e-13 -8.24440051e-05] [ 2.49573952e-05 1.63621287e-13 8.24440052e-05] [ 3.14431640e-14 4.23839998e-04 5.89553159e-14] [ 4.41508809e-14 -4.23839997e-04 4.92202154e-15] [-8.24440054e-05 -1.68840259e-13 -2.49573955e-05] [ 8.24440045e-05 -6.41908794e-14 2.49573947e-05] [ 1.22104001e-04 2.29782840e-04 1.22104001e-04] [-1.61416498e-04 3.21837971e-04 1.61416497e-04] [-1.22104001e-04 2.29782840e-04 -1.22104001e-04] [ 1.61416498e-04 3.21837970e-04 -1.61416498e-04] [ 1.61416498e-04 -3.21837971e-04 -1.61416498e-04] [-1.22104001e-04 -2.29782840e-04 -1.22104000e-04] [ 1.22104001e-04 -2.29782840e-04 1.22104000e-04] [-1.61416497e-04 -3.21837971e-04 1.61416497e-04] [ 1.22104000e-04 2.29782840e-04 1.22104000e-04] [-1.61416498e-04 3.21837971e-04 1.61416497e-04] [-1.22104001e-04 2.29782841e-04 -1.22104001e-04] [ 1.61416497e-04 3.21837971e-04 -1.61416498e-04] [ 1.61416497e-04 -3.21837971e-04 -1.61416498e-04] [-1.22104001e-04 -2.29782840e-04 -1.22104001e-04] [ 1.22104000e-04 -2.29782840e-04 1.22104000e-04] [-1.61416497e-04 -3.21837971e-04 1.61416497e-04] [ 7.15261184e-13 3.72479825e-14 1.18310917e-12] [-3.91646784e-13 4.98241003e-14 8.99511027e-13] [ 3.76180195e-04 4.48848818e-05 7.95657839e-05] [ 3.76180195e-04 -4.48848822e-05 7.95657836e-05] [-3.76180197e-04 4.48848827e-05 -7.95657829e-05] [-3.76180196e-04 -4.48848821e-05 -7.95657836e-05] [ 5.64049603e-04 4.87054841e-13 5.64049607e-04] [-1.19127597e-04 -3.53351029e-13 1.19127595e-04] [ 1.19127596e-04 -1.08287164e-12 -1.19127596e-04] [-5.64049606e-04 -1.19304913e-12 -5.64049603e-04] [ 7.95657831e-05 4.48848830e-05 3.76180196e-04] [-7.95657832e-05 4.48848818e-05 -3.76180195e-04] [ 7.95657822e-05 -4.48848839e-05 3.76180197e-04] [-7.95657827e-05 -4.48848825e-05 -3.76180194e-04] [ 3.76180197e-04 4.48848843e-05 7.95657817e-05] [ 3.76180196e-04 -4.48848837e-05 7.95657833e-05] [-3.76180195e-04 4.48848817e-05 -7.95657847e-05] [-3.76180196e-04 -4.48848810e-05 -7.95657852e-05] [ 5.64049605e-04 -1.39886751e-13 5.64049604e-04] [-1.19127597e-04 8.67493794e-13 1.19127595e-04] [ 1.19127597e-04 -7.52492686e-14 -1.19127595e-04] [-5.64049604e-04 1.85795389e-13 -5.64049606e-04] [ 7.95657832e-05 4.48848821e-05 3.76180195e-04] [-7.95657825e-05 4.48848833e-05 -3.76180195e-04] [ 7.95657844e-05 -4.48848806e-05 3.76180195e-04] [-7.95657810e-05 -4.48848842e-05 -3.76180196e-04]] Final stress: [ 5.60218423e-06 -1.52504933e-05 5.60218423e-06 -8.81132802e-17 3.52028021e-06 -1.20864820e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.23829954e-05 1.54473656e-13 8.38952111e-05] [ 2.23829954e-05 9.66726699e-14 -8.38952111e-05] [ 1.06078341e-13 4.24366726e-04 2.67267979e-13] [ 1.55736535e-13 -4.24366725e-04 -1.24927846e-13] [ 8.38952108e-05 -1.76147291e-13 -2.23829956e-05] [-8.38952109e-05 3.32511796e-14 2.23829957e-05] [-2.23829963e-05 1.95285628e-13 8.38952113e-05] [ 2.23829959e-05 -9.52146348e-14 -8.38952111e-05] [-3.94762348e-14 4.24366726e-04 -2.69376646e-13] [ 2.86043324e-13 -4.24366726e-04 2.72826460e-13] [ 8.38952109e-05 -2.17007503e-13 -2.23829969e-05] [-8.38952110e-05 2.47428316e-14 2.23829957e-05] [ 1.59896679e-04 -3.22062136e-04 1.59896679e-04] [-1.23241051e-04 -2.29118815e-04 1.23241050e-04] [-1.59896679e-04 -3.22062137e-04 -1.59896679e-04] [ 1.23241051e-04 -2.29118815e-04 -1.23241050e-04] [ 1.23241051e-04 2.29118816e-04 -1.23241051e-04] [-1.59896679e-04 3.22062137e-04 -1.59896679e-04] [ 1.59896679e-04 3.22062136e-04 1.59896679e-04] [-1.23241050e-04 2.29118815e-04 1.23241050e-04] [ 1.59896678e-04 -3.22062136e-04 1.59896679e-04] [-1.23241051e-04 -2.29118815e-04 1.23241050e-04] [-1.59896679e-04 -3.22062137e-04 -1.59896679e-04] [ 1.23241050e-04 -2.29118815e-04 -1.23241050e-04] [ 1.23241050e-04 2.29118815e-04 -1.23241051e-04] [-1.59896679e-04 3.22062136e-04 -1.59896679e-04] [ 1.59896678e-04 3.22062137e-04 1.59896678e-04] [-1.23241051e-04 2.29118815e-04 1.23241050e-04] [ 5.96994676e-13 -3.33982841e-13 3.13027382e-13] [-5.27995616e-13 -3.53130910e-13 1.64261336e-13] [-3.73131134e-04 4.45259861e-05 7.91751920e-05] [-3.73131134e-04 -4.45259867e-05 7.91751920e-05] [ 3.73131134e-04 4.45259874e-05 -7.91751914e-05] [ 3.73131134e-04 -4.45259864e-05 -7.91751925e-05] [-1.20381430e-04 3.96460642e-13 -1.20381429e-04] [ 5.65209423e-04 5.32730110e-13 -5.65209423e-04] [-5.65209423e-04 -4.93707505e-13 5.65209423e-04] [ 1.20381430e-04 -2.88090732e-13 1.20381430e-04] [ 7.91751911e-05 4.45259880e-05 -3.73131134e-04] [-7.91751917e-05 4.45259868e-05 3.73131135e-04] [ 7.91751916e-05 -4.45259873e-05 -3.73131133e-04] [-7.91751917e-05 -4.45259872e-05 3.73131134e-04] [-3.73131134e-04 4.45259868e-05 7.91751917e-05] [-3.73131135e-04 -4.45259870e-05 7.91751913e-05] [ 3.73131134e-04 4.45259873e-05 -7.91751907e-05] [ 3.73131135e-04 -4.45259870e-05 -7.91751925e-05] [-1.20381429e-04 -1.06211805e-13 -1.20381430e-04] [ 5.65209422e-04 -1.24150690e-13 -5.65209423e-04] [-5.65209423e-04 -1.35681180e-12 5.65209423e-04] [ 1.20381432e-04 -2.44330164e-13 1.20381429e-04] [ 7.91751915e-05 4.45259868e-05 -3.73131134e-04] [-7.91751919e-05 4.45259866e-05 3.73131134e-04] [ 7.91751918e-05 -4.45259867e-05 -3.73131135e-04] [-7.91751908e-05 -4.45259871e-05 3.73131134e-04]] Final stress: [ 5.60612432e-06 -1.52406424e-05 5.60612432e-06 -4.03991077e-16 -3.50286172e-06 9.80883685e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.22606334e-05 -8.95485942e-14 -2.50267005e-04] [ 8.22606324e-05 2.59459121e-13 2.50267006e-04] [ 4.40404657e-13 -9.47174447e-04 2.63789858e-13] [ 2.86048962e-13 9.47174449e-04 -6.99718061e-14] [-2.50267005e-04 -1.40661788e-13 -8.22606335e-05] [ 2.50267006e-04 -2.42056375e-13 8.22606316e-05] [-8.22606322e-05 9.86715050e-14 -2.50267006e-04] [ 8.22606335e-05 1.67939447e-13 2.50267005e-04] [-3.24967050e-13 -9.47174447e-04 -2.80919681e-13] [-1.80597291e-13 9.47174448e-04 -3.93664301e-13] [-2.50267005e-04 8.65547313e-14 -8.22606328e-05] [ 2.50267005e-04 1.15386106e-13 8.22606330e-05] [-2.84727677e-04 5.89833503e-04 -2.84727677e-04] [ 3.38773916e-04 3.76351285e-04 -3.38773916e-04] [ 2.84727678e-04 5.89833502e-04 2.84727678e-04] [-3.38773915e-04 3.76351285e-04 3.38773915e-04] [-3.38773915e-04 -3.76351286e-04 3.38773915e-04] [ 2.84727678e-04 -5.89833502e-04 2.84727678e-04] [-2.84727677e-04 -5.89833503e-04 -2.84727677e-04] [ 3.38773916e-04 -3.76351285e-04 -3.38773915e-04] [-2.84727678e-04 5.89833501e-04 -2.84727678e-04] [ 3.38773916e-04 3.76351286e-04 -3.38773916e-04] [ 2.84727677e-04 5.89833503e-04 2.84727677e-04] [-3.38773916e-04 3.76351286e-04 3.38773915e-04] [-3.38773916e-04 -3.76351286e-04 3.38773915e-04] [ 2.84727677e-04 -5.89833502e-04 2.84727677e-04] [-2.84727678e-04 -5.89833502e-04 -2.84727678e-04] [ 3.38773915e-04 -3.76351285e-04 -3.38773916e-04] [ 2.17098561e-12 -5.74040815e-13 1.99823491e-12] [-1.24650030e-12 -4.89834844e-13 -7.05567843e-13] [ 5.83178348e-04 -3.38983600e-04 4.46658690e-05] [ 5.83178349e-04 3.38983598e-04 4.46658681e-05] [-5.83178350e-04 -3.38983600e-04 -4.46658677e-05] [-5.83178350e-04 3.38983601e-04 -4.46658699e-05] [ 2.49931023e-04 -1.24900090e-12 2.49931020e-04] [-1.22826131e-03 2.45336737e-13 1.22826131e-03] [ 1.22826131e-03 -7.43792181e-13 -1.22826132e-03] [-2.49931022e-04 -3.95180416e-13 -2.49931019e-04] [ 4.46658662e-05 -3.38983597e-04 5.83178349e-04] [-4.46658650e-05 -3.38983597e-04 -5.83178348e-04] [ 4.46658675e-05 3.38983598e-04 5.83178349e-04] [-4.46658658e-05 3.38983597e-04 -5.83178350e-04] [ 5.83178350e-04 -3.38983598e-04 4.46658669e-05] [ 5.83178349e-04 3.38983597e-04 4.46658663e-05] [-5.83178349e-04 -3.38983595e-04 -4.46658643e-05] [-5.83178348e-04 3.38983596e-04 -4.46658655e-05] [ 2.49931020e-04 -1.07454731e-12 2.49931022e-04] [-1.22826131e-03 -2.07446040e-13 1.22826131e-03] [ 1.22826131e-03 -1.67720482e-12 -1.22826131e-03] [-2.49931021e-04 1.54009184e-13 -2.49931022e-04] [ 4.46658703e-05 -3.38983602e-04 5.83178351e-04] [-4.46658674e-05 -3.38983598e-04 -5.83178348e-04] [ 4.46658710e-05 3.38983603e-04 5.83178350e-04] [-4.46658677e-05 3.38983598e-04 -5.83178348e-04]] Final stress: [-8.50513444e-06 3.45183188e-05 -8.50513444e-06 4.97101383e-16 1.30324660e-06 -4.03998783e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.78264021e-05 -1.05752646e-13 3.48447995e-04] [ 9.78263998e-05 3.75283138e-13 -3.48447995e-04] [ 2.25859696e-13 -1.20350039e-03 -2.15674267e-13] [ 4.27990976e-13 1.20350039e-03 3.68177711e-13] [ 3.48447994e-04 2.38274678e-13 -9.78264005e-05] [-3.48447995e-04 1.86850535e-13 9.78264007e-05] [-9.78264015e-05 1.12248318e-13 3.48447995e-04] [ 9.78264014e-05 1.00527225e-13 -3.48447996e-04] [ 3.39620693e-13 -1.20350039e-03 -3.41569401e-14] [-4.92960707e-14 1.20350039e-03 -3.12605503e-13] [ 3.48447995e-04 -4.69029504e-14 -9.78264016e-05] [-3.48447996e-04 2.60494064e-13 9.78264014e-05] [-4.40297080e-04 -4.67575402e-04 -4.40297081e-04] [ 3.57823769e-04 -7.34919117e-04 -3.57823770e-04] [ 4.40297081e-04 -4.67575401e-04 4.40297081e-04] [-3.57823769e-04 -7.34919117e-04 3.57823769e-04] [-3.57823769e-04 7.34919118e-04 3.57823768e-04] [ 4.40297082e-04 4.67575402e-04 4.40297082e-04] [-4.40297081e-04 4.67575401e-04 -4.40297081e-04] [ 3.57823769e-04 7.34919117e-04 -3.57823769e-04] [-4.40297082e-04 -4.67575403e-04 -4.40297081e-04] [ 3.57823769e-04 -7.34919118e-04 -3.57823769e-04] [ 4.40297080e-04 -4.67575402e-04 4.40297080e-04] [-3.57823769e-04 -7.34919117e-04 3.57823770e-04] [-3.57823769e-04 7.34919116e-04 3.57823769e-04] [ 4.40297081e-04 4.67575402e-04 4.40297081e-04] [-4.40297081e-04 4.67575403e-04 -4.40297080e-04] [ 3.57823768e-04 7.34919117e-04 -3.57823769e-04] [ 3.03398973e-12 -1.72020731e-12 7.79376563e-14] [-2.21990091e-12 -9.43434246e-13 -1.60288311e-13] [-7.46403774e-04 -4.41656416e-04 5.88037391e-05] [-7.46403776e-04 4.41656414e-04 5.88037365e-05] [ 7.46403777e-04 -4.41656416e-04 -5.88037397e-05] [ 7.46403775e-04 4.41656415e-04 -5.88037387e-05] [-1.57488795e-03 -2.77999845e-12 -1.57488794e-03] [ 3.22965124e-04 -3.04299988e-13 -3.22965129e-04] [-3.22965127e-04 -1.41480751e-12 3.22965125e-04] [ 1.57488795e-03 1.39917591e-13 1.57488794e-03] [ 5.88037426e-05 -4.41656419e-04 -7.46403775e-04] [-5.88037400e-05 -4.41656417e-04 7.46403776e-04] [ 5.88037417e-05 4.41656418e-04 -7.46403778e-04] [-5.88037420e-05 4.41656418e-04 7.46403774e-04] [-7.46403775e-04 -4.41656420e-04 5.88037431e-05] [-7.46403775e-04 4.41656418e-04 5.88037413e-05] [ 7.46403777e-04 -4.41656416e-04 -5.88037386e-05] [ 7.46403775e-04 4.41656419e-04 -5.88037423e-05] [-1.57488794e-03 -3.19163631e-13 -1.57488794e-03] [ 3.22965129e-04 -5.79835875e-13 -3.22965125e-04] [-3.22965129e-04 -5.64708870e-14 3.22965124e-04] [ 1.57488794e-03 -5.68932922e-14 1.57488795e-03] [ 5.88037382e-05 -4.41656416e-04 -7.46403774e-04] [-5.88037365e-05 -4.41656414e-04 7.46403776e-04] [ 5.88037393e-05 4.41656416e-04 -7.46403774e-04] [-5.88037406e-05 4.41656417e-04 7.46403776e-04]] Final stress: [-9.80501862e-06 4.44767388e-05 -9.80501862e-06 -4.83801011e-16 -1.24837223e-07 -2.87620533e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.35851323e-05 -8.17110020e-05 1.31027567e-13] [ 3.35851329e-05 8.17110016e-05 -1.47243329e-13] [-8.17376678e-05 4.21014478e-04 3.39781155e-13] [ 8.17376677e-05 -4.21014478e-04 1.06137321e-13] [-2.56679226e-13 -4.03787247e-14 -3.39747302e-05] [ 3.08170156e-13 7.54951657e-15 3.39747292e-05] [-3.35851328e-05 -8.17110014e-05 -1.80039860e-14] [ 3.35851329e-05 8.17110016e-05 -1.97504325e-13] [-8.17376675e-05 4.21014478e-04 -8.62261802e-14] [ 8.17376675e-05 -4.21014477e-04 -1.36227731e-13] [ 8.48518304e-14 -3.15764781e-13 -3.39747302e-05] [-1.05956910e-13 1.89848416e-14 3.39747297e-05] [ 1.19527704e-04 -6.64907045e-05 4.15491265e-04] [-1.19527704e-04 6.64907044e-05 4.15491265e-04] [-1.65236868e-04 -2.13696484e-05 1.31082143e-04] [ 1.65236868e-04 2.13696488e-05 1.31082143e-04] [ 1.19527703e-04 -6.64907044e-05 -4.15491265e-04] [-1.19527704e-04 6.64907043e-05 -4.15491265e-04] [ 1.65236868e-04 2.13696476e-05 -1.31082143e-04] [-1.65236868e-04 -2.13696479e-05 -1.31082143e-04] [ 1.19527703e-04 -6.64907037e-05 4.15491265e-04] [-1.19527704e-04 6.64907047e-05 4.15491264e-04] [-1.65236868e-04 -2.13696485e-05 1.31082143e-04] [ 1.65236868e-04 2.13696480e-05 1.31082143e-04] [ 1.19527704e-04 -6.64907036e-05 -4.15491265e-04] [-1.19527704e-04 6.64907043e-05 -4.15491265e-04] [ 1.65236867e-04 2.13696485e-05 -1.31082144e-04] [-1.65236867e-04 -2.13696472e-05 -1.31082143e-04] [-1.37084788e-13 -7.20534743e-13 1.38769551e-12] [-1.12281712e-13 -2.74321431e-13 -8.46291877e-14] [ 3.85022010e-04 3.68443934e-05 9.05216641e-05] [-3.85022010e-04 -3.68443938e-05 9.05216651e-05] [ 3.85022011e-04 3.68443932e-05 -9.05216650e-05] [-3.85022010e-04 -3.68443931e-05 -9.05216656e-05] [ 2.23793047e-04 3.85630502e-04 2.23664000e-04] [ 2.23793046e-04 3.85630502e-04 -2.23664000e-04] [-2.23793047e-04 -3.85630504e-04 2.23664000e-04] [-2.23793045e-04 -3.85630502e-04 -2.23664001e-04] [ 4.29062481e-04 3.75298192e-04 6.33604280e-13] [ 2.47742344e-04 -3.01589904e-04 3.12670029e-13] [-2.47742343e-04 3.01589904e-04 -9.77015344e-13] [-4.29062481e-04 -3.75298192e-04 2.50745605e-13] [ 3.85022009e-04 3.68443933e-05 9.05216651e-05] [-3.85022010e-04 -3.68443937e-05 9.05216642e-05] [ 3.85022011e-04 3.68443948e-05 -9.05216629e-05] [-3.85022011e-04 -3.68443936e-05 -9.05216651e-05] [ 2.23793045e-04 3.85630502e-04 2.23664001e-04] [ 2.23793045e-04 3.85630502e-04 -2.23664000e-04] [-2.23793045e-04 -3.85630502e-04 2.23664000e-04] [-2.23793045e-04 -3.85630503e-04 -2.23664001e-04] [ 4.29062481e-04 3.75298192e-04 7.15442216e-13] [ 2.47742343e-04 -3.01589905e-04 6.83181938e-13] [-2.47742343e-04 3.01589904e-04 8.82853252e-13] [-4.29062482e-04 -3.75298191e-04 1.09807562e-13]] Final stress: [ 5.55830128e-06 -1.52558744e-05 5.55416479e-06 -2.97590135e-16 -1.28013633e-16 3.51949755e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.76514616e-05 8.29456423e-05 1.64005094e-13] [ 2.76514619e-05 -8.29456425e-05 5.74540415e-14] [ 8.29767394e-05 4.22861811e-04 -1.41062943e-13] [-8.29767394e-05 -4.22861811e-04 2.54685162e-13] [ 1.99601620e-14 1.02700834e-13 -2.80407931e-05] [-2.55212518e-13 6.31439345e-14 2.80407922e-05] [-2.76514625e-05 8.29456420e-05 6.69652354e-14] [ 2.76514620e-05 -8.29456422e-05 -4.43625600e-13] [ 8.29767396e-05 4.22861811e-04 -2.97631962e-13] [-8.29767403e-05 -4.22861810e-04 -4.24177583e-13] [-4.76747981e-13 -1.22351726e-13 -2.80407930e-05] [ 3.26592919e-13 8.57934005e-14 2.80407926e-05] [ 1.62368720e-04 -2.50221882e-05 -1.32392385e-04] [-1.62368719e-04 2.50221883e-05 -1.32392385e-04] [-1.21554398e-04 -6.52484966e-05 -4.15962312e-04] [ 1.21554399e-04 6.52484966e-05 -4.15962312e-04] [ 1.62368720e-04 -2.50221892e-05 1.32392385e-04] [-1.62368719e-04 2.50221889e-05 1.32392385e-04] [ 1.21554399e-04 6.52484963e-05 4.15962313e-04] [-1.21554399e-04 -6.52484961e-05 4.15962312e-04] [ 1.62368719e-04 -2.50221879e-05 -1.32392385e-04] [-1.62368719e-04 2.50221886e-05 -1.32392385e-04] [-1.21554399e-04 -6.52484966e-05 -4.15962313e-04] [ 1.21554399e-04 6.52484966e-05 -4.15962312e-04] [ 1.62368720e-04 -2.50221891e-05 1.32392385e-04] [-1.62368720e-04 2.50221887e-05 1.32392385e-04] [ 1.21554399e-04 6.52484970e-05 4.15962312e-04] [-1.21554399e-04 -6.52484969e-05 4.15962312e-04] [-1.80244708e-13 -7.53813678e-13 7.95502553e-13] [-3.68339907e-13 -6.67153172e-13 -5.88595289e-13] [-3.78635309e-04 3.98579401e-05 8.56254474e-05] [ 3.78635307e-04 -3.98579410e-05 8.56254467e-05] [-3.78635308e-04 3.98579409e-05 -8.56254464e-05] [ 3.78635308e-04 -3.98579401e-05 -8.56254473e-05] [ 2.23220395e-04 -3.79244043e-04 2.23090639e-04] [ 2.23220392e-04 -3.79244043e-04 -2.23090641e-04] [-2.23220396e-04 3.79244042e-04 2.23090638e-04] [-2.23220393e-04 3.79244042e-04 -2.23090639e-04] [-2.55240234e-04 -3.01184704e-04 1.03317355e-12] [-4.26768918e-04 3.80919665e-04 -8.58689855e-13] [ 4.26768916e-04 -3.80919666e-04 6.21261723e-13] [ 2.55240233e-04 3.01184705e-04 -4.60090299e-13] [-3.78635308e-04 3.98579411e-05 8.56254456e-05] [ 3.78635309e-04 -3.98579401e-05 8.56254468e-05] [-3.78635308e-04 3.98579427e-05 -8.56254449e-05] [ 3.78635307e-04 -3.98579425e-05 -8.56254446e-05] [ 2.23220394e-04 -3.79244043e-04 2.23090640e-04] [ 2.23220394e-04 -3.79244042e-04 -2.23090639e-04] [-2.23220393e-04 3.79244043e-04 2.23090641e-04] [-2.23220391e-04 3.79244043e-04 -2.23090643e-04] [-2.55240232e-04 -3.01184706e-04 1.00824503e-12] [-4.26768918e-04 3.80919664e-04 1.24868923e-12] [ 4.26768919e-04 -3.80919663e-04 -1.34817592e-13] [ 2.55240233e-04 3.01184705e-04 1.11746636e-12]] Final stress: [ 5.58025554e-06 -1.52441960e-05 5.57609466e-06 -6.46718226e-16 1.61263928e-16 -3.50202610e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.87508026e-05 -1.25434141e-04 2.08459118e-13] [-1.87508028e-05 1.25434142e-04 1.66061609e-13] [-1.25336892e-04 -4.25512126e-04 8.63848923e-15] [ 1.25336892e-04 4.25512126e-04 8.65696403e-14] [ 3.68860758e-13 1.44673769e-13 1.83977244e-05] [ 3.34315908e-13 2.94014812e-13 -1.83977248e-05] [ 1.87508030e-05 -1.25434141e-04 1.69876888e-13] [-1.87508019e-05 1.25434141e-04 -1.65260772e-13] [-1.25336892e-04 -4.25512124e-04 -1.29097034e-13] [ 1.25336892e-04 4.25512126e-04 -2.46839433e-15] [-1.06695468e-13 -4.12923779e-14 1.83977250e-05] [-9.42752820e-14 5.40765905e-14 -1.83977245e-05] [-1.54767488e-04 3.46617613e-05 7.25379796e-05] [ 1.54767489e-04 -3.46617602e-05 7.25379790e-05] [ 1.46224304e-04 4.38248857e-05 3.73825606e-04] [-1.46224304e-04 -4.38248852e-05 3.73825606e-04] [-1.54767488e-04 3.46617606e-05 -7.25379792e-05] [ 1.54767489e-04 -3.46617602e-05 -7.25379788e-05] [-1.46224304e-04 -4.38248863e-05 -3.73825606e-04] [ 1.46224304e-04 4.38248859e-05 -3.73825606e-04] [-1.54767489e-04 3.46617601e-05 7.25379782e-05] [ 1.54767488e-04 -3.46617606e-05 7.25379788e-05] [ 1.46224304e-04 4.38248861e-05 3.73825605e-04] [-1.46224305e-04 -4.38248856e-05 3.73825606e-04] [-1.54767489e-04 3.46617600e-05 -7.25379793e-05] [ 1.54767488e-04 -3.46617608e-05 -7.25379793e-05] [-1.46224304e-04 -4.38248858e-05 -3.73825606e-04] [ 1.46224304e-04 4.38248856e-05 -3.73825606e-04] [ 7.59781127e-13 4.79172257e-13 4.07340828e-13] [-5.60467037e-13 -1.53032730e-12 -6.25862862e-13] [ 3.36889733e-04 -1.35893205e-04 -2.26953883e-05] [-3.36889734e-04 1.35893207e-04 -2.26953865e-05] [ 3.36889732e-04 -1.35893206e-04 2.26953884e-05] [-3.36889734e-04 1.35893208e-04 2.26953860e-05] [-2.36386873e-04 3.36283513e-04 -2.36510548e-04] [-2.36386875e-04 3.36283512e-04 2.36510547e-04] [ 2.36386872e-04 -3.36283512e-04 -2.36510550e-04] [ 2.36386873e-04 -3.36283512e-04 2.36510548e-04] [ 3.07285796e-04 1.93848190e-04 -8.72635297e-14] [ 3.52419267e-04 -4.65624837e-04 -1.96023753e-14] [-3.52419266e-04 4.65624837e-04 5.36404254e-13] [-3.07285798e-04 -1.93848188e-04 4.12418363e-13] [ 3.36889734e-04 -1.35893209e-04 -2.26953856e-05] [-3.36889733e-04 1.35893208e-04 -2.26953861e-05] [ 3.36889734e-04 -1.35893209e-04 2.26953854e-05] [-3.36889733e-04 1.35893207e-04 2.26953865e-05] [-2.36386871e-04 3.36283511e-04 -2.36510550e-04] [-2.36386871e-04 3.36283511e-04 2.36510550e-04] [ 2.36386872e-04 -3.36283513e-04 -2.36510549e-04] [ 2.36386871e-04 -3.36283512e-04 2.36510549e-04] [ 3.07285797e-04 1.93848189e-04 4.80313948e-13] [ 3.52419267e-04 -4.65624836e-04 1.13758996e-12] [-3.52419268e-04 4.65624835e-04 9.79316068e-13] [-3.07285794e-04 -1.93848194e-04 1.14521240e-13]] Final stress: [-5.53073772e-06 1.55491582e-05 -5.53450476e-06 -3.10896183e-16 5.15389394e-16 3.00096499e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.45601328e-05 1.19722481e-04 2.23989230e-13] [-2.45601335e-05 -1.19722481e-04 -2.44082532e-13] [ 1.19633466e-04 -4.23817061e-04 6.14533164e-13] [-1.19633466e-04 4.23817060e-04 1.68698389e-13] [-1.30341918e-13 -1.45444420e-13 2.42064571e-05] [ 3.45917739e-13 -8.18789481e-14 -2.42064582e-05] [ 2.45601322e-05 1.19722481e-04 -3.17981448e-13] [-2.45601333e-05 -1.19722481e-04 -2.21385910e-14] [ 1.19633465e-04 -4.23817059e-04 -1.45810385e-13] [-1.19633466e-04 4.23817061e-04 1.89752328e-13] [-1.91263238e-13 -2.60352274e-14 2.42064566e-05] [-2.41092302e-13 3.09040554e-13 -2.42064581e-05] [-1.43024070e-04 4.64676396e-05 -3.75985328e-04] [ 1.43024070e-04 -4.64676400e-05 -3.75985327e-04] [ 1.58733242e-04 3.01458042e-05 -7.39279384e-05] [-1.58733242e-04 -3.01458050e-05 -7.39279385e-05] [-1.43024070e-04 4.64676399e-05 3.75985328e-04] [ 1.43024070e-04 -4.64676402e-05 3.75985328e-04] [-1.58733242e-04 -3.01458044e-05 7.39279390e-05] [ 1.58733242e-04 3.01458043e-05 7.39279389e-05] [-1.43024070e-04 4.64676402e-05 -3.75985329e-04] [ 1.43024070e-04 -4.64676396e-05 -3.75985328e-04] [ 1.58733242e-04 3.01458049e-05 -7.39279390e-05] [-1.58733242e-04 -3.01458045e-05 -7.39279389e-05] [-1.43024070e-04 4.64676401e-05 3.75985328e-04] [ 1.43024070e-04 -4.64676397e-05 3.75985327e-04] [-1.58733243e-04 -3.01458038e-05 7.39279384e-05] [ 1.58733242e-04 3.01458046e-05 7.39279389e-05] [ 5.52030643e-13 -4.05175893e-13 1.61845537e-12] [ 3.88197720e-13 1.78326058e-13 9.77326854e-13] [-3.43766426e-04 -1.33774315e-04 -2.59600783e-05] [ 3.43766426e-04 1.33774314e-04 -2.59600789e-05] [-3.43766426e-04 -1.33774314e-04 2.59600792e-05] [ 3.43766426e-04 1.33774314e-04 2.59600788e-05] [-2.36488165e-04 -3.43162333e-04 -2.36610447e-04] [-2.36488164e-04 -3.43162333e-04 2.36610448e-04] [ 2.36488164e-04 3.43162333e-04 -2.36610449e-04] [ 2.36488164e-04 3.43162333e-04 2.36610449e-04] [-3.52701956e-04 -4.60528066e-04 6.63247235e-13] [-3.01037876e-04 1.92990783e-04 7.10901824e-13] [ 3.01037878e-04 -1.92990782e-04 1.98292771e-13] [ 3.52701952e-04 4.60528069e-04 1.36759180e-12] [-3.43766425e-04 -1.33774312e-04 -2.59600809e-05] [ 3.43766426e-04 1.33774311e-04 -2.59600830e-05] [-3.43766424e-04 -1.33774313e-04 2.59600805e-05] [ 3.43766427e-04 1.33774311e-04 2.59600821e-05] [-2.36488166e-04 -3.43162334e-04 -2.36610446e-04] [-2.36488167e-04 -3.43162333e-04 2.36610445e-04] [ 2.36488167e-04 3.43162333e-04 -2.36610445e-04] [ 2.36488167e-04 3.43162333e-04 2.36610444e-04] [-3.52701951e-04 -4.60528070e-04 7.64257792e-13] [-3.01037879e-04 1.92990780e-04 -4.33452190e-13] [ 3.01037881e-04 -1.92990778e-04 -4.10684866e-13] [ 3.52701951e-04 4.60528069e-04 -3.94902860e-13]] Final stress: [-5.52342588e-06 1.55591343e-05 -5.52717852e-06 -1.08065518e-16 3.65760215e-17 -3.06475531e-06] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.48782328e-04 -1.44617825e-13 -2.43555176e-15] [ 4.48782328e-04 -1.23651089e-13 -1.17933441e-13] [-9.12690062e-14 -4.48782328e-04 -3.89133170e-14] [ 1.05221387e-13 4.48782328e-04 -3.59434704e-14] [-1.77761451e-14 -1.15333090e-14 -8.19279794e-04] [ 1.28286270e-13 4.81281681e-14 8.19279794e-04] [-4.48782328e-04 -1.91743756e-13 -1.86202988e-13] [ 4.48782328e-04 -2.88555638e-13 -6.14674130e-14] [-2.63700520e-13 -4.48782328e-04 -3.61051237e-14] [ 2.22565022e-14 4.48782328e-04 1.25038150e-14] [-7.52809273e-14 2.96942586e-14 -8.19279794e-04] [-9.96546595e-14 -8.52827742e-14 8.19279794e-04] [-2.79553448e-04 -2.79553448e-04 1.15454491e-04] [ 2.79553448e-04 2.79553448e-04 1.15454491e-04] [ 2.79553448e-04 -2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 -2.79553448e-04 -1.15454491e-04] [ 2.79553448e-04 2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 2.79553448e-04 1.15454491e-04] [ 2.79553448e-04 -2.79553448e-04 1.15454491e-04] [-2.79553448e-04 -2.79553448e-04 1.15454491e-04] [ 2.79553448e-04 2.79553448e-04 1.15454490e-04] [ 2.79553448e-04 -2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 -2.79553448e-04 -1.15454491e-04] [ 2.79553448e-04 2.79553448e-04 -1.15454491e-04] [-2.79553448e-04 2.79553448e-04 1.15454491e-04] [ 2.79553448e-04 -2.79553448e-04 1.15454491e-04] [ 6.86950496e-14 -9.38138456e-15 -3.62210262e-14] [-7.37422276e-14 7.84480306e-14 -1.28418369e-13] [-1.27786670e-13 -2.79615426e-04 -1.46399410e-04] [-3.09370585e-14 2.79615426e-04 -1.46399410e-04] [-2.01597419e-13 -2.79615426e-04 1.46399410e-04] [-2.12311072e-13 2.79615426e-04 1.46399410e-04] [-2.79615426e-04 5.16253706e-14 -1.46399410e-04] [-2.79615426e-04 8.25242652e-14 1.46399410e-04] [ 2.79615426e-04 1.64295660e-13 -1.46399410e-04] [ 2.79615426e-04 1.47503537e-14 1.46399411e-04] [-6.46746567e-04 -6.46746566e-04 -1.33781874e-13] [ 6.46746567e-04 -6.46746566e-04 7.34117628e-14] [-6.46746567e-04 6.46746566e-04 1.45666465e-13] [ 6.46746567e-04 6.46746566e-04 3.32676595e-13] [ 1.37021037e-13 -2.79615426e-04 -1.46399410e-04] [ 2.40472572e-13 2.79615425e-04 -1.46399411e-04] [ 1.33527737e-13 -2.79615426e-04 1.46399411e-04] [ 1.42795498e-13 2.79615426e-04 1.46399411e-04] [-2.79615426e-04 -1.24554740e-13 -1.46399410e-04] [-2.79615426e-04 -6.17127877e-14 1.46399410e-04] [ 2.79615426e-04 8.50582625e-14 -1.46399410e-04] [ 2.79615426e-04 -3.02908740e-14 1.46399410e-04] [-6.46746566e-04 -6.46746567e-04 -2.22188537e-13] [ 6.46746566e-04 -6.46746566e-04 -1.44126430e-13] [-6.46746566e-04 6.46746567e-04 -2.49718903e-13] [ 6.46746566e-04 6.46746566e-04 -1.08920685e-13]] Final stress: [-7.35916431e-06 -7.35916431e-06 3.15079748e-05 -3.25862208e-16 -3.89039575e-16 -6.15148046e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.54105090e-05 8.97402812e-14 -3.86756599e-14] [ 2.54105091e-05 -4.88220575e-14 -2.13717932e-14] [-1.50687622e-13 -2.50212990e-05 -8.36123841e-05] [ 3.04201109e-14 2.50212999e-05 8.36123843e-05] [-1.71280524e-13 -8.36455344e-05 4.23650030e-04] [ 8.35442826e-15 8.36455340e-05 -4.23650031e-04] [-2.54105086e-05 2.09360741e-13 2.16903470e-13] [ 2.54105089e-05 1.01047209e-13 -3.20852202e-13] [ 1.55517960e-13 -2.50212991e-05 -8.36123844e-05] [-3.25652266e-13 2.50213003e-05 8.36123840e-05] [-4.90352117e-13 -8.36455332e-05 4.23650032e-04] [-5.34485650e-14 8.36455336e-05 -4.23650031e-04] [ 4.16097777e-04 1.22487064e-04 -6.46539259e-05] [ 1.32899117e-04 -1.61063723e-04 -2.66654665e-05] [ 1.32899119e-04 1.61063723e-04 2.66654669e-05] [ 4.16097776e-04 -1.22487064e-04 6.46539260e-05] [-1.32899118e-04 1.61063722e-04 2.66654671e-05] [-4.16097776e-04 -1.22487064e-04 6.46539258e-05] [-1.32899118e-04 -1.61063722e-04 -2.66654664e-05] [-4.16097777e-04 1.22487064e-04 -6.46539255e-05] [ 4.16097776e-04 1.22487064e-04 -6.46539259e-05] [ 1.32899118e-04 -1.61063722e-04 -2.66654672e-05] [ 1.32899118e-04 1.61063724e-04 2.66654668e-05] [ 4.16097776e-04 -1.22487063e-04 6.46539258e-05] [-1.32899117e-04 1.61063724e-04 2.66654668e-05] [-4.16097776e-04 -1.22487064e-04 6.46539257e-05] [-1.32899118e-04 -1.61063722e-04 -2.66654665e-05] [-4.16097776e-04 1.22487063e-04 -6.46539258e-05] [ 4.58855176e-13 -8.20121748e-13 7.90284505e-13] [ 2.43789364e-14 -2.95688265e-13 -1.23375829e-12] [-4.31987779e-13 4.25990660e-04 3.83211901e-04] [ 3.41436948e-13 2.58353994e-04 -3.01233097e-04] [ 2.50081206e-13 -2.58353994e-04 3.01233098e-04] [ 3.52284174e-13 -4.25990659e-04 -3.83211902e-04] [ 8.36792001e-05 3.75774021e-04 4.09799831e-05] [ 8.36791996e-05 -3.75774022e-04 -4.09799830e-05] [-8.36792005e-05 3.75774021e-04 4.09799821e-05] [-8.36791999e-05 -3.75774023e-04 -4.09799829e-05] [ 2.22864427e-04 2.22994533e-04 3.76382932e-04] [-2.22864426e-04 2.22994533e-04 3.76382931e-04] [ 2.22864428e-04 -2.22994533e-04 -3.76382931e-04] [-2.22864427e-04 -2.22994533e-04 -3.76382932e-04] [ 3.03033206e-13 4.25990658e-04 3.83211903e-04] [-2.45797306e-14 2.58353996e-04 -3.01233095e-04] [-5.89467277e-13 -2.58353995e-04 3.01233096e-04] [ 1.53661806e-14 -4.25990658e-04 -3.83211903e-04] [ 8.36792015e-05 3.75774021e-04 4.09799813e-05] [ 8.36792020e-05 -3.75774022e-04 -4.09799815e-05] [-8.36792024e-05 3.75774021e-04 4.09799802e-05] [-8.36792020e-05 -3.75774022e-04 -4.09799815e-05] [ 2.22864425e-04 2.22994535e-04 3.76382933e-04] [-2.22864425e-04 2.22994535e-04 3.76382932e-04] [ 2.22864426e-04 -2.22994535e-04 -3.76382932e-04] [-2.22864424e-04 -2.22994535e-04 -3.76382932e-04]] Final stress: [ 5.58511402e-06 5.58928557e-06 -1.52385581e-05 3.49300823e-06 -9.97508832e-17 3.05902709e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.46292992e-05 -2.15317347e-13 1.29113300e-13] [ 3.46292994e-05 -2.82301960e-13 -3.59240415e-13] [ 1.31700640e-13 -3.42396610e-05 8.14227405e-05] [ 2.28816965e-13 3.42396611e-05 -8.14227402e-05] [-8.73008263e-14 8.14488027e-05 4.20850923e-04] [ 1.60454983e-13 -8.14488026e-05 -4.20850926e-04] [-3.46292979e-05 9.55607121e-14 -1.82151012e-13] [ 3.46292988e-05 -1.59054193e-13 -2.03009421e-13] [ 9.22647375e-14 -3.42396595e-05 8.14227405e-05] [-1.21820089e-13 3.42396612e-05 -8.14227403e-05] [-1.43792530e-13 8.14488028e-05 4.20850923e-04] [-4.05590925e-13 -8.14488029e-05 -4.20850924e-04] [-1.31032728e-04 1.65596513e-04 -2.09358752e-05] [-4.15534150e-04 -1.19260688e-04 -6.66838741e-05] [-4.15534149e-04 1.19260688e-04 6.66838747e-05] [-1.31032728e-04 -1.65596513e-04 2.09358749e-05] [ 4.15534150e-04 1.19260688e-04 6.66838740e-05] [ 1.31032727e-04 -1.65596512e-04 2.09358756e-05] [ 4.15534150e-04 -1.19260688e-04 -6.66838742e-05] [ 1.31032727e-04 1.65596513e-04 -2.09358751e-05] [-1.31032729e-04 1.65596513e-04 -2.09358747e-05] [-4.15534150e-04 -1.19260687e-04 -6.66838747e-05] [-4.15534150e-04 1.19260688e-04 6.66838737e-05] [-1.31032727e-04 -1.65596513e-04 2.09358746e-05] [ 4.15534150e-04 1.19260688e-04 6.66838736e-05] [ 1.31032728e-04 -1.65596513e-04 2.09358746e-05] [ 4.15534149e-04 -1.19260687e-04 -6.66838745e-05] [ 1.31032728e-04 1.65596513e-04 -2.09358749e-05] [ 2.16660023e-13 -7.21145366e-13 1.95127248e-12] [-4.94280832e-13 -4.84430533e-13 3.05421497e-13] [ 5.47673018e-13 -2.47185072e-04 -3.01343094e-04] [-4.32268804e-13 -4.29011144e-04 3.74935283e-04] [-7.48862777e-14 4.29011141e-04 -3.74935285e-04] [-1.95503336e-14 2.47185075e-04 3.01343091e-04] [ 9.07747012e-05 -3.85766407e-04 3.67862917e-05] [ 9.07746995e-05 3.85766404e-04 -3.67862931e-05] [-9.07747024e-05 -3.85766407e-04 3.67862904e-05] [-9.07746984e-05 3.85766405e-04 -3.67862935e-05] [ 2.23691915e-04 2.23820841e-04 -3.86374788e-04] [-2.23691916e-04 2.23820838e-04 -3.86374788e-04] [ 2.23691914e-04 -2.23820841e-04 3.86374787e-04] [-2.23691915e-04 -2.23820840e-04 3.86374787e-04] [-3.23436156e-13 -2.47185072e-04 -3.01343094e-04] [ 1.34508290e-13 -4.29011142e-04 3.74935285e-04] [ 8.48273275e-13 4.29011145e-04 -3.74935282e-04] [ 1.22798473e-12 2.47185071e-04 3.01343095e-04] [ 9.07746990e-05 -3.85766406e-04 3.67862941e-05] [ 9.07747010e-05 3.85766406e-04 -3.67862924e-05] [-9.07746985e-05 -3.85766406e-04 3.67862946e-05] [-9.07747000e-05 3.85766405e-04 -3.67862936e-05] [ 2.23691915e-04 2.23820839e-04 -3.86374785e-04] [-2.23691914e-04 2.23820840e-04 -3.86374785e-04] [ 2.23691916e-04 -2.23820839e-04 3.86374790e-04] [-2.23691917e-04 -2.23820837e-04 3.86374788e-04]] Final stress: [ 5.55264620e-06 5.55678050e-06 -1.52577879e-05 -3.52304715e-06 6.69993432e-16 4.35578857e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.64788298e-05 -1.36703149e-13 2.48537736e-13] [-3.64788310e-05 -3.01952907e-13 2.45914400e-14] [-7.97799327e-15 3.68329841e-05 -1.17064203e-04] [ 2.49078536e-13 -3.68329835e-05 1.17064203e-04] [ 3.20099849e-14 -1.16982284e-04 -4.19820743e-04] [ 3.71369602e-14 1.16982284e-04 4.19820742e-04] [ 3.64788303e-05 -1.13032847e-13 1.02996719e-13] [-3.64788300e-05 -3.35881496e-14 -2.78626519e-13] [-5.42510915e-13 3.68329836e-05 -1.17064204e-04] [-4.80418656e-13 -3.68329838e-05 1.17064203e-04] [-2.47932317e-13 -1.16982283e-04 -4.19820742e-04] [ 8.72960558e-14 1.16982284e-04 4.19820742e-04] [ 7.15154294e-05 -1.64203245e-04 2.35218894e-05] [ 3.75424336e-04 1.39401268e-04 4.89354837e-05] [ 3.75424337e-04 -1.39401268e-04 -4.89354837e-05] [ 7.15154292e-05 1.64203245e-04 -2.35218897e-05] [-3.75424336e-04 -1.39401268e-04 -4.89354843e-05] [-7.15154287e-05 1.64203245e-04 -2.35218884e-05] [-3.75424336e-04 1.39401268e-04 4.89354845e-05] [-7.15154291e-05 -1.64203246e-04 2.35218889e-05] [ 7.15154285e-05 -1.64203246e-04 2.35218891e-05] [ 3.75424336e-04 1.39401268e-04 4.89354831e-05] [ 3.75424335e-04 -1.39401267e-04 -4.89354845e-05] [ 7.15154287e-05 1.64203246e-04 -2.35218892e-05] [-3.75424336e-04 -1.39401268e-04 -4.89354840e-05] [-7.15154295e-05 1.64203245e-04 -2.35218895e-05] [-3.75424336e-04 1.39401268e-04 4.89354834e-05] [-7.15154291e-05 -1.64203246e-04 2.35218891e-05] [ 9.77218306e-13 -6.43735065e-13 1.97172834e-12] [-1.34471947e-12 2.49935412e-13 -1.79107284e-13] [ 1.46771484e-13 2.93317854e-04 1.86750878e-04] [-7.65306221e-13 3.50677105e-04 -4.57037277e-04] [ 1.43496326e-14 -3.50677104e-04 4.57037280e-04] [ 8.68038280e-13 -2.93317853e-04 -1.86750879e-04] [-2.88064692e-05 3.55405886e-04 -1.35149409e-04] [-2.88064688e-05 -3.55405885e-04 1.35149409e-04] [ 2.88064679e-05 3.55405886e-04 -1.35149411e-04] [ 2.88064691e-05 -3.55405884e-04 1.35149410e-04] [-2.37525302e-04 -2.37404762e-04 3.54802299e-04] [ 2.37525302e-04 -2.37404763e-04 3.54802298e-04] [-2.37525301e-04 2.37404763e-04 -3.54802298e-04] [ 2.37525300e-04 2.37404764e-04 -3.54802298e-04] [ 4.07219831e-13 2.93317852e-04 1.86750880e-04] [ 1.07019688e-12 3.50677107e-04 -4.57037277e-04] [ 9.91912281e-13 -3.50677108e-04 4.57037276e-04] [ 1.08935734e-12 -2.93317852e-04 -1.86750880e-04] [-2.88064668e-05 3.55405883e-04 -1.35149412e-04] [-2.88064667e-05 -3.55405885e-04 1.35149412e-04] [ 2.88064662e-05 3.55405884e-04 -1.35149412e-04] [ 2.88064670e-05 -3.55405885e-04 1.35149410e-04] [-2.37525302e-04 -2.37404762e-04 3.54802299e-04] [ 2.37525302e-04 -2.37404761e-04 3.54802299e-04] [-2.37525304e-04 2.37404760e-04 -3.54802298e-04] [ 2.37525304e-04 2.37404760e-04 -3.54802299e-04]] Final stress: [-5.49671299e-06 -5.49300656e-06 1.56106831e-05 3.10043049e-06 5.48640322e-16 -3.60772575e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.77249086e-05 -6.12287998e-14 1.59499150e-14] [-1.77249095e-05 2.69256839e-13 6.72517597e-14] [ 2.43015677e-13 1.80783038e-05 1.21761604e-04] [ 1.21319621e-13 -1.80783037e-05 -1.21761603e-04] [-9.24152248e-14 1.21667992e-04 -4.26028814e-04] [ 2.10942375e-15 -1.21667992e-04 4.26028813e-04] [ 1.77249088e-05 1.27306152e-13 -1.77059497e-13] [-1.77249086e-05 7.47444641e-14 -2.33508190e-13] [ 5.68893890e-14 1.80783046e-05 1.21761603e-04] [-3.25742038e-14 -1.80783034e-05 -1.21761603e-04] [-7.80595207e-14 1.21667992e-04 -4.26028814e-04] [-8.82917871e-14 -1.21667993e-04 4.26028814e-04] [-3.75988914e-04 -1.45173583e-04 4.49771354e-05] [-7.48727433e-05 1.55645087e-04 3.38915840e-05] [-7.48727439e-05 -1.55645086e-04 -3.38915839e-05] [-3.75988915e-04 1.45173583e-04 -4.49771349e-05] [ 7.48727442e-05 -1.55645087e-04 -3.38915848e-05] [ 3.75988915e-04 1.45173584e-04 -4.49771342e-05] [ 7.48727437e-05 1.55645087e-04 3.38915848e-05] [ 3.75988915e-04 -1.45173583e-04 4.49771349e-05] [-3.75988915e-04 -1.45173584e-04 4.49771347e-05] [-7.48727436e-05 1.55645086e-04 3.38915845e-05] [-7.48727440e-05 -1.55645086e-04 -3.38915846e-05] [-3.75988915e-04 1.45173583e-04 -4.49771352e-05] [ 7.48727439e-05 -1.55645087e-04 -3.38915843e-05] [ 3.75988914e-04 1.45173583e-04 -4.49771353e-05] [ 7.48727436e-05 1.55645086e-04 3.38915842e-05] [ 3.75988914e-04 -1.45173583e-04 4.49771352e-05] [ 1.06931131e-12 4.24715818e-13 7.46652740e-13] [-1.17879578e-12 -1.47669578e-12 -2.90849413e-13] [ 1.09467990e-13 -3.52481942e-04 -4.64075528e-04] [-8.68097261e-13 -3.06653254e-04 1.94829419e-04] [ 6.56818350e-13 3.06653251e-04 -1.94829423e-04] [-1.41650580e-13 3.52481942e-04 4.64075529e-04] [-2.30430056e-05 -3.37421715e-04 -1.34628384e-04] [-2.30430063e-05 3.37421714e-04 1.34628384e-04] [ 2.30430059e-05 -3.37421715e-04 -1.34628384e-04] [ 2.30430068e-05 3.37421714e-04 1.34628383e-04] [-2.36097664e-04 -2.35974414e-04 -3.36817083e-04] [ 2.36097664e-04 -2.35974414e-04 -3.36817083e-04] [-2.36097663e-04 2.35974414e-04 3.36817083e-04] [ 2.36097664e-04 2.35974414e-04 3.36817082e-04] [ 4.08997489e-13 -3.52481938e-04 -4.64075533e-04] [-3.14135436e-13 -3.06653255e-04 1.94829417e-04] [-1.55669314e-13 3.06653256e-04 -1.94829417e-04] [ 1.82293850e-13 3.52481937e-04 4.64075533e-04] [-2.30430114e-05 -3.37421714e-04 -1.34628379e-04] [-2.30430093e-05 3.37421715e-04 1.34628381e-04] [ 2.30430101e-05 -3.37421715e-04 -1.34628380e-04] [ 2.30430099e-05 3.37421715e-04 1.34628379e-04] [-2.36097660e-04 -2.35974418e-04 -3.36817082e-04] [ 2.36097662e-04 -2.35974417e-04 -3.36817082e-04] [-2.36097659e-04 2.35974418e-04 3.36817083e-04] [ 2.36097658e-04 2.35974420e-04 3.36817083e-04]] Final stress: [-5.54463583e-06 -5.54085883e-06 1.55380307e-05 -3.03929324e-06 1.49629179e-16 -4.15636608e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.95271458e-05 2.25056952e-13 -8.24966827e-05] [ 2.95271454e-05 -1.19626531e-14 8.24966833e-05] [ 2.33450845e-13 -2.99165635e-05 -1.05021460e-13] [ 1.38666856e-13 2.99165639e-05 -1.73000503e-13] [-8.25263357e-05 -3.77692669e-14 4.22293596e-04] [ 8.25263359e-05 -1.24317223e-13 -4.22293597e-04] [-2.95271463e-05 -1.03919911e-13 -8.24966833e-05] [ 2.95271456e-05 3.85317646e-13 8.24966832e-05] [-5.84259204e-14 -2.99165624e-05 5.44113936e-13] [-1.71679077e-13 2.99165642e-05 -1.51659148e-13] [-8.25263359e-05 -5.39433114e-15 4.22293596e-04] [ 8.25263361e-05 -1.08476754e-13 -4.22293597e-04] [ 1.20897031e-04 4.15850225e-04 -6.56628788e-05] [-1.63292150e-04 1.32014980e-04 -2.38556895e-05] [-1.20897030e-04 4.15850225e-04 6.56628783e-05] [ 1.63292151e-04 1.32014981e-04 2.38556890e-05] [ 1.63292151e-04 -1.32014980e-04 2.38556891e-05] [-1.20897030e-04 -4.15850225e-04 6.56628788e-05] [ 1.20897030e-04 -4.15850225e-04 -6.56628787e-05] [-1.63292151e-04 -1.32014980e-04 -2.38556889e-05] [ 1.20897030e-04 4.15850226e-04 -6.56628793e-05] [-1.63292151e-04 1.32014980e-04 -2.38556894e-05] [-1.20897031e-04 4.15850226e-04 6.56628787e-05] [ 1.63292150e-04 1.32014980e-04 2.38556891e-05] [ 1.63292151e-04 -1.32014980e-04 2.38556892e-05] [-1.20897030e-04 -4.15850225e-04 6.56628785e-05] [ 1.20897030e-04 -4.15850225e-04 -6.56628792e-05] [-1.63292151e-04 -1.32014980e-04 -2.38556895e-05] [ 6.76209089e-13 -3.16691118e-13 9.72166792e-13] [-1.12950881e-13 -1.04486455e-12 5.20733833e-13] [ 3.80669760e-04 8.70625123e-05 3.90111443e-05] [ 3.80669761e-04 -8.70625118e-05 3.90111457e-05] [-3.80669760e-04 8.70625117e-05 -3.90111448e-05] [-3.80669761e-04 -8.70625109e-05 -3.90111455e-05] [ 4.27376762e-04 -3.89355215e-13 3.79242048e-04] [-2.52974277e-04 2.80216822e-13 3.01200517e-04] [ 2.52974277e-04 -1.77073634e-13 -3.01200518e-04] [-4.27376763e-04 1.75340645e-13 -3.79242048e-04] [ 2.23387889e-04 2.23258376e-04 3.81278388e-04] [-2.23387889e-04 2.23258376e-04 -3.81278388e-04] [ 2.23387890e-04 -2.23258376e-04 3.81278388e-04] [-2.23387890e-04 -2.23258376e-04 -3.81278388e-04] [ 3.80669760e-04 8.70625088e-05 3.90111477e-05] [ 3.80669762e-04 -8.70625095e-05 3.90111473e-05] [-3.80669761e-04 8.70625092e-05 -3.90111479e-05] [-3.80669761e-04 -8.70625094e-05 -3.90111481e-05] [ 4.27376765e-04 1.90348992e-14 3.79242046e-04] [-2.52974274e-04 -5.30357442e-13 3.01200521e-04] [ 2.52974273e-04 -2.72945729e-13 -3.01200520e-04] [-4.27376765e-04 1.86530479e-14 -3.79242045e-04] [ 2.23387888e-04 2.23258378e-04 3.81278388e-04] [-2.23387888e-04 2.23258379e-04 -3.81278387e-04] [ 2.23387887e-04 -2.23258379e-04 3.81278387e-04] [-2.23387886e-04 -2.23258380e-04 -3.81278387e-04]] Final stress: [ 5.57366474e-06 5.56951145e-06 -1.52481377e-05 8.76145258e-16 3.50817479e-06 -3.02577679e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.73913561e-05 4.32107908e-13 8.29621489e-05] [ 2.73913564e-05 2.89768209e-14 -8.29621490e-05] [ 4.00639157e-13 -2.77806758e-05 2.73461809e-14] [ 3.50358631e-13 2.77806752e-05 -1.14130927e-13] [ 8.29934125e-05 -2.23451899e-13 4.22951855e-04] [-8.29934121e-05 -4.03510558e-13 -4.22951856e-04] [-2.73913556e-05 4.46344350e-15 8.29621486e-05] [ 2.73913560e-05 2.74151361e-13 -8.29621491e-05] [ 2.97626507e-14 -2.77806763e-05 3.55624187e-13] [-1.48778993e-13 2.77806769e-05 -8.42926158e-14] [ 8.29934117e-05 -7.22525328e-14 4.22951855e-04] [-8.29934124e-05 -1.85998072e-13 -4.22951856e-04] [ 1.62253366e-04 -1.32472891e-04 -2.51746432e-05] [-1.21632305e-04 -4.16005450e-04 -6.52077698e-05] [-1.62253365e-04 -1.32472891e-04 2.51746438e-05] [ 1.21632305e-04 -4.16005450e-04 6.52077697e-05] [ 1.21632306e-04 4.16005451e-04 6.52077695e-05] [-1.62253366e-04 1.32472892e-04 2.51746442e-05] [ 1.62253365e-04 1.32472891e-04 -2.51746433e-05] [-1.21632305e-04 4.16005450e-04 -6.52077696e-05] [ 1.62253365e-04 -1.32472890e-04 -2.51746447e-05] [-1.21632305e-04 -4.16005450e-04 -6.52077690e-05] [-1.62253366e-04 -1.32472891e-04 2.51746435e-05] [ 1.21632304e-04 -4.16005451e-04 6.52077697e-05] [ 1.21632304e-04 4.16005451e-04 6.52077695e-05] [-1.62253366e-04 1.32472891e-04 2.51746431e-05] [ 1.62253365e-04 1.32472892e-04 -2.51746439e-05] [-1.21632305e-04 4.16005451e-04 -6.52077704e-05] [ 1.05956910e-12 4.96547248e-13 1.35433331e-12] [-4.28925125e-13 -8.65126923e-13 -4.02476273e-13] [-3.78364407e-04 8.53403468e-05 4.00571109e-05] [-3.78364408e-04 -8.53403460e-05 4.00571121e-05] [ 3.78364408e-04 8.53403460e-05 -4.00571115e-05] [ 3.78364407e-04 -8.53403454e-05 -4.00571121e-05] [-2.55634432e-04 -1.45861101e-12 -3.01094940e-04] [ 4.26592952e-04 -4.33420660e-14 -3.81228236e-04] [-4.26592954e-04 -1.05031435e-12 3.81228234e-04] [ 2.55634432e-04 3.00651865e-13 3.01094940e-04] [ 2.23186221e-04 2.23056446e-04 -3.78973128e-04] [-2.23186221e-04 2.23056446e-04 3.78973129e-04] [ 2.23186220e-04 -2.23056448e-04 -3.78973129e-04] [-2.23186221e-04 -2.23056447e-04 3.78973129e-04] [-3.78364407e-04 8.53403461e-05 4.00571113e-05] [-3.78364407e-04 -8.53403466e-05 4.00571113e-05] [ 3.78364407e-04 8.53403483e-05 -4.00571095e-05] [ 3.78364408e-04 -8.53403457e-05 -4.00571132e-05] [-2.55634433e-04 -2.67688299e-13 -3.01094940e-04] [ 4.26592952e-04 4.36922633e-14 -3.81228235e-04] [-4.26592952e-04 9.51387406e-14 3.81228236e-04] [ 2.55634432e-04 8.85879911e-15 3.01094940e-04] [ 2.23186221e-04 2.23056446e-04 -3.78973128e-04] [-2.23186221e-04 2.23056447e-04 3.78973129e-04] [ 2.23186221e-04 -2.23056447e-04 -3.78973128e-04] [-2.23186220e-04 -2.23056447e-04 3.78973130e-04]] Final stress: [ 5.58143492e-06 5.57727286e-06 -1.52438080e-05 1.17207288e-15 -3.50166135e-06 3.17540312e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.40783181e-05 2.36986646e-13 -1.13628362e-04] [-1.40783193e-05 -1.97369898e-13 1.13628363e-04] [ 2.52473823e-13 1.37243359e-05 8.81716575e-14] [ 5.92415006e-13 -1.37243354e-05 -4.24105195e-14] [-1.13542613e-04 2.20984255e-13 -4.27478689e-04] [ 1.13542613e-04 -5.20139487e-14 4.27478687e-04] [ 1.40783182e-05 -5.31363148e-14 -1.13628362e-04] [-1.40783181e-05 1.54014388e-13 1.13628362e-04] [ 1.09387759e-13 1.37243373e-05 -1.67768897e-13] [-1.10487140e-13 -1.37243354e-05 -1.30670531e-13] [-1.13542613e-04 -1.01442709e-13 -4.27478688e-04] [ 1.13542613e-04 -2.26511034e-13 4.27478689e-04] [-1.56637878e-04 8.07148378e-05 3.31724306e-05] [ 1.43303390e-04 3.80956621e-04 4.71077368e-05] [ 1.56637879e-04 8.07148368e-05 -3.31724301e-05] [-1.43303389e-04 3.80956621e-04 -4.71077374e-05] [-1.43303389e-04 -3.80956621e-04 -4.71077376e-05] [ 1.56637880e-04 -8.07148367e-05 -3.31724294e-05] [-1.56637879e-04 -8.07148377e-05 3.31724302e-05] [ 1.43303389e-04 -3.80956621e-04 4.71077369e-05] [-1.56637880e-04 8.07148372e-05 3.31724292e-05] [ 1.43303389e-04 3.80956621e-04 4.71077380e-05] [ 1.56637878e-04 8.07148377e-05 -3.31724307e-05] [-1.43303389e-04 3.80956621e-04 -4.71077371e-05] [-1.43303390e-04 -3.80956621e-04 -4.71077373e-05] [ 1.56637879e-04 -8.07148375e-05 -3.31724306e-05] [-1.56637880e-04 -8.07148367e-05 3.31724293e-05] [ 1.43303389e-04 -3.80956622e-04 4.71077382e-05] [ 2.02743378e-12 -5.63160629e-14 1.48436818e-12] [-1.18274401e-12 -1.19952396e-12 -5.02193328e-13] [ 3.36376489e-04 -2.79614761e-05 -1.26525325e-04] [ 3.36376489e-04 2.79614765e-05 -1.26525325e-04] [-3.36376490e-04 -2.79614777e-05 1.26525324e-04] [-3.36376491e-04 2.79614765e-05 1.26525325e-04] [ 3.01890036e-04 -1.25022215e-12 2.03091327e-04] [-3.57554907e-04 -6.22656440e-13 4.56129658e-04] [ 3.57554906e-04 -3.27175786e-13 -4.56129660e-04] [-3.01890035e-04 -2.39528883e-13 -2.03091326e-04] [-2.35122736e-04 -2.35245514e-04 3.35775601e-04] [ 2.35122736e-04 -2.35245514e-04 -3.35775600e-04] [-2.35122737e-04 2.35245514e-04 3.35775601e-04] [ 2.35122735e-04 2.35245515e-04 -3.35775600e-04] [ 3.36376491e-04 -2.79614759e-05 -1.26525326e-04] [ 3.36376490e-04 2.79614763e-05 -1.26525325e-04] [-3.36376490e-04 -2.79614763e-05 1.26525325e-04] [-3.36376490e-04 2.79614762e-05 1.26525325e-04] [ 3.01890035e-04 7.45914315e-14 2.03091327e-04] [-3.57554906e-04 -2.01621705e-13 4.56129659e-04] [ 3.57554906e-04 -4.95692896e-14 -4.56129658e-04] [-3.01890033e-04 2.19913497e-13 -2.03091329e-04] [-2.35122735e-04 -2.35245516e-04 3.35775600e-04] [ 2.35122737e-04 -2.35245514e-04 -3.35775600e-04] [-2.35122735e-04 2.35245516e-04 3.35775601e-04] [ 2.35122736e-04 2.35245515e-04 -3.35775598e-04]] Final stress: [-5.56082335e-06 -5.56463226e-06 1.54839997e-05 4.80475918e-16 3.12234941e-06 1.62929550e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.05453869e-05 -7.78856146e-14 1.04316535e-04] [-2.05453871e-05 -8.82072193e-14 -1.04316536e-04] [ 3.03329844e-13 2.01903776e-05 1.12712790e-13] [ 1.88016269e-13 -2.01903761e-05 1.11854970e-13] [ 1.04242379e-04 -1.17127662e-13 -4.26385720e-04] [-1.04242380e-04 -1.83020266e-13 4.26385718e-04] [ 2.05453859e-05 1.74796375e-13 1.04316535e-04] [-2.05453868e-05 4.84751128e-14 -1.04316535e-04] [ 1.53593284e-13 2.01903773e-05 -1.28661237e-15] [ 1.97512146e-13 -2.01903760e-05 -5.11904994e-13] [ 1.04242380e-04 -1.41740374e-13 -4.26385720e-04] [-1.04242380e-04 1.66381485e-13 4.26385719e-04] [-1.38881157e-04 -3.85241875e-04 5.11468886e-05] [ 1.61951494e-04 -8.41023759e-05 2.74890410e-05] [ 1.38881158e-04 -3.85241875e-04 -5.11468889e-05] [-1.61951495e-04 -8.41023752e-05 -2.74890415e-05] [-1.61951495e-04 8.41023761e-05 -2.74890409e-05] [ 1.38881157e-04 3.85241875e-04 -5.11468880e-05] [-1.38881158e-04 3.85241876e-04 5.11468885e-05] [ 1.61951495e-04 8.41023760e-05 2.74890412e-05] [-1.38881159e-04 -3.85241875e-04 5.11468885e-05] [ 1.61951495e-04 -8.41023752e-05 2.74890411e-05] [ 1.38881157e-04 -3.85241875e-04 -5.11468888e-05] [-1.61951494e-04 -8.41023753e-05 -2.74890410e-05] [-1.61951494e-04 8.41023762e-05 -2.74890414e-05] [ 1.38881157e-04 3.85241875e-04 -5.11468887e-05] [-1.38881158e-04 3.85241876e-04 5.11468882e-05] [ 1.61951495e-04 8.41023762e-05 2.74890414e-05] [ 9.10355125e-13 -1.56002988e-12 1.69322889e-12] [ 2.52384919e-13 -8.90855835e-13 -2.32304815e-14] [-3.44925022e-04 -2.70226308e-05 -1.28405277e-04] [-3.44925022e-04 2.70226300e-05 -1.28405277e-04] [ 3.44925023e-04 -2.70226291e-05 1.28405279e-04] [ 3.44925023e-04 2.70226288e-05 1.28405278e-04] [-3.52991431e-04 -1.48758783e-12 -4.54387402e-04] [ 2.99202579e-04 -6.09946121e-13 -1.97591911e-04] [-2.99202582e-04 -1.66681426e-12 1.97591909e-04] [ 3.52991432e-04 -5.76984641e-13 4.54387403e-04] [-2.34621375e-04 -2.34741950e-04 -3.44327752e-04] [ 2.34621376e-04 -2.34741949e-04 3.44327754e-04] [-2.34621377e-04 2.34741948e-04 -3.44327753e-04] [ 2.34621376e-04 2.34741948e-04 3.44327754e-04] [-3.44925022e-04 -2.70226331e-05 -1.28405275e-04] [-3.44925022e-04 2.70226335e-05 -1.28405274e-04] [ 3.44925023e-04 -2.70226314e-05 1.28405277e-04] [ 3.44925022e-04 2.70226333e-05 1.28405274e-04] [-3.52991428e-04 -5.36229372e-13 -4.54387406e-04] [ 2.99202583e-04 -7.44477180e-13 -1.97591907e-04] [-2.99202586e-04 4.54380457e-13 1.97591905e-04] [ 3.52991429e-04 2.20690653e-13 4.54387404e-04] [-2.34621380e-04 -2.34741946e-04 -3.44327754e-04] [ 2.34621381e-04 -2.34741945e-04 3.44327754e-04] [-2.34621379e-04 2.34741946e-04 -3.44327754e-04] [ 2.34621380e-04 2.34741946e-04 3.44327754e-04]] Final stress: [-5.56959401e-06 -5.57339639e-06 1.55064717e-05 1.18040797e-16 -3.22481601e-06 -4.75488279e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.54101899e-05 -7.84861683e-05 1.48275055e-13] [ 3.54101891e-05 7.84861685e-05 1.33476563e-13] [-7.84861687e-05 -3.54101890e-05 4.10435574e-15] [ 7.84861686e-05 3.54101901e-05 -2.14606111e-13] [ 3.51211681e-13 1.42557407e-13 4.21120901e-04] [ 1.50962576e-13 1.03222986e-13 -4.21120904e-04] [-3.54101908e-05 -7.84861681e-05 -3.14948022e-13] [ 3.54101895e-05 7.84861686e-05 -1.63226572e-13] [-7.84861687e-05 -3.54101888e-05 -2.66777325e-13] [ 7.84861686e-05 3.54101897e-05 7.08709491e-14] [ 5.61772850e-14 -1.92598976e-13 4.21120903e-04] [ 4.75153770e-14 2.59994912e-13 -4.21120902e-04] [ 1.18032885e-04 1.18032885e-04 2.31353823e-04] [-1.18032885e-04 -1.18032885e-04 2.31353823e-04] [-1.67010320e-04 1.67010319e-04 3.19472925e-04] [ 1.67010320e-04 -1.67010319e-04 3.19472925e-04] [ 1.18032885e-04 1.18032885e-04 -2.31353824e-04] [-1.18032884e-04 -1.18032885e-04 -2.31353823e-04] [ 1.67010320e-04 -1.67010320e-04 -3.19472925e-04] [-1.67010319e-04 1.67010320e-04 -3.19472925e-04] [ 1.18032884e-04 1.18032885e-04 2.31353824e-04] [-1.18032885e-04 -1.18032885e-04 2.31353822e-04] [-1.67010320e-04 1.67010320e-04 3.19472925e-04] [ 1.67010319e-04 -1.67010320e-04 3.19472925e-04] [ 1.18032884e-04 1.18032885e-04 -2.31353824e-04] [-1.18032885e-04 -1.18032885e-04 -2.31353823e-04] [ 1.67010319e-04 -1.67010319e-04 -3.19472925e-04] [-1.67010319e-04 1.67010319e-04 -3.19472925e-04] [ 6.69270195e-13 -8.89427421e-13 2.03292938e-12] [-1.08536877e-13 -4.96161482e-13 -2.34941443e-13] [ 3.87963243e-04 8.48918873e-05 4.27425731e-05] [-3.87963242e-04 -8.48918883e-05 4.27425728e-05] [ 3.87963243e-04 8.48918849e-05 -4.27425747e-05] [-3.87963242e-04 -8.48918853e-05 -4.27425746e-05] [ 8.48918868e-05 3.87963242e-04 4.27425730e-05] [ 8.48918856e-05 3.87963242e-04 -4.27425740e-05] [-8.48918873e-05 -3.87963243e-04 4.27425728e-05] [-8.48918854e-05 -3.87963242e-04 -4.27425740e-05] [ 5.59941892e-04 5.59941892e-04 2.74558154e-13] [ 1.13759467e-04 -1.13759466e-04 -9.44541320e-13] [-1.13759466e-04 1.13759467e-04 -1.35530996e-12] [-5.59941892e-04 -5.59941892e-04 -8.93436367e-13] [ 3.87963242e-04 8.48918852e-05 4.27425744e-05] [-3.87963242e-04 -8.48918861e-05 4.27425733e-05] [ 3.87963243e-04 8.48918875e-05 -4.27425723e-05] [-3.87963243e-04 -8.48918863e-05 -4.27425742e-05] [ 8.48918850e-05 3.87963242e-04 4.27425754e-05] [ 8.48918871e-05 3.87963243e-04 -4.27425728e-05] [-8.48918858e-05 -3.87963243e-04 4.27425739e-05] [-8.48918872e-05 -3.87963242e-04 -4.27425724e-05] [ 5.59941891e-04 5.59941892e-04 1.05754953e-12] [ 1.13759467e-04 -1.13759467e-04 1.34873115e-12] [-1.13759467e-04 1.13759468e-04 1.15765016e-12] [-5.59941892e-04 -5.59941892e-04 1.14591626e-12]] Final stress: [ 5.57435388e-06 5.57435388e-06 -1.52806255e-05 -7.09893786e-16 8.47882507e-17 3.57020741e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.16824870e-05 7.59663767e-05 2.44786830e-14] [ 4.16824867e-05 -7.59663765e-05 -6.83897383e-14] [ 7.59663766e-05 -4.16824862e-05 -8.24947749e-14] [-7.59663765e-05 4.16824883e-05 -1.13964393e-13] [ 4.65894684e-14 3.01520094e-13 4.19525649e-04] [ 2.28927988e-13 2.77472489e-13 -4.19525650e-04] [-4.16824881e-05 7.59663764e-05 1.69722027e-13] [ 4.16824871e-05 -7.59663766e-05 -8.24403983e-14] [ 7.59663767e-05 -4.16824863e-05 -2.29196471e-13] [-7.59663768e-05 4.16824868e-05 -8.89003300e-14] [-3.04581881e-13 2.17959269e-14 4.19525650e-04] [-1.15453220e-13 1.05408952e-13 -4.19525650e-04] [ 1.70407439e-04 1.70407439e-04 -3.18156512e-04] [-1.70407439e-04 -1.70407438e-04 -3.18156511e-04] [-1.15547522e-04 1.15547522e-04 -2.32376151e-04] [ 1.15547522e-04 -1.15547522e-04 -2.32376151e-04] [ 1.70407439e-04 1.70407439e-04 3.18156511e-04] [-1.70407438e-04 -1.70407439e-04 3.18156511e-04] [ 1.15547522e-04 -1.15547523e-04 2.32376151e-04] [-1.15547521e-04 1.15547522e-04 2.32376150e-04] [ 1.70407438e-04 1.70407438e-04 -3.18156512e-04] [-1.70407439e-04 -1.70407438e-04 -3.18156512e-04] [-1.15547523e-04 1.15547522e-04 -2.32376151e-04] [ 1.15547522e-04 -1.15547522e-04 -2.32376150e-04] [ 1.70407439e-04 1.70407438e-04 3.18156511e-04] [-1.70407439e-04 -1.70407439e-04 3.18156511e-04] [ 1.15547522e-04 -1.15547522e-04 2.32376151e-04] [-1.15547523e-04 1.15547521e-04 2.32376151e-04] [ 9.98534588e-13 -1.18838273e-12 6.61110056e-13] [-6.30224605e-13 1.09623345e-13 -7.83005244e-14] [-3.95072348e-04 8.78093406e-05 4.17231104e-05] [ 3.95072350e-04 -8.78093406e-05 4.17231102e-05] [-3.95072349e-04 8.78093400e-05 -4.17231106e-05] [ 3.95072349e-04 -8.78093394e-05 -4.17231110e-05] [ 8.78093421e-05 -3.95072349e-04 4.17231079e-05] [ 8.78093408e-05 -3.95072349e-04 -4.17231087e-05] [-8.78093417e-05 3.95072349e-04 4.17231080e-05] [-8.78093392e-05 3.95072349e-04 -4.17231101e-05] [-1.10556603e-04 -1.10556601e-04 2.63122857e-14] [-5.57423418e-04 5.57423418e-04 3.12102774e-13] [ 5.57423419e-04 -5.57423418e-04 -2.91402319e-13] [ 1.10556601e-04 1.10556603e-04 -2.39010201e-14] [-3.95072349e-04 8.78093398e-05 4.17231101e-05] [ 3.95072349e-04 -8.78093408e-05 4.17231094e-05] [-3.95072349e-04 8.78093409e-05 -4.17231091e-05] [ 3.95072349e-04 -8.78093409e-05 -4.17231087e-05] [ 8.78093411e-05 -3.95072350e-04 4.17231094e-05] [ 8.78093406e-05 -3.95072349e-04 -4.17231097e-05] [-8.78093402e-05 3.95072348e-04 4.17231106e-05] [-8.78093410e-05 3.95072348e-04 -4.17231094e-05] [-1.10556602e-04 -1.10556603e-04 1.46166077e-12] [-5.57423419e-04 5.57423417e-04 3.95619427e-13] [ 5.57423419e-04 -5.57423417e-04 1.25469936e-12] [ 1.10556601e-04 1.10556604e-04 5.52276540e-13]] Final stress: [ 5.55849362e-06 5.55849363e-06 -1.52991897e-05 -5.65255005e-17 2.52702238e-16 -3.60172483e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.84220163e-05 -3.06849172e-04 -1.31962150e-13] [ 8.84220146e-05 3.06849172e-04 1.13908882e-13] [-3.06849172e-04 -8.84220143e-05 3.13019576e-13] [ 3.06849172e-04 8.84220168e-05 -4.11892742e-13] [-5.84961767e-14 -4.21003510e-13 -1.07979457e-03] [ 9.53126467e-14 1.80244708e-13 1.07979457e-03] [-8.84220143e-05 -3.06849172e-04 -1.12332455e-13] [ 8.84220159e-05 3.06849172e-04 -6.15701788e-14] [-3.06849172e-04 -8.84220145e-05 -1.09026688e-13] [ 3.06849172e-04 8.84220149e-05 4.06164718e-14] [-5.11832330e-13 4.62513674e-14 -1.07979457e-03] [-3.30028973e-13 7.50031755e-14 1.07979457e-03] [-3.22377862e-04 -3.22377862e-04 6.61513792e-04] [ 3.22377862e-04 3.22377863e-04 6.61513792e-04] [ 3.93075527e-04 -3.93075527e-04 4.21339336e-04] [-3.93075525e-04 3.93075526e-04 4.21339335e-04] [-3.22377862e-04 -3.22377863e-04 -6.61513792e-04] [ 3.22377862e-04 3.22377863e-04 -6.61513791e-04] [-3.93075526e-04 3.93075526e-04 -4.21339335e-04] [ 3.93075527e-04 -3.93075526e-04 -4.21339336e-04] [-3.22377863e-04 -3.22377863e-04 6.61513791e-04] [ 3.22377863e-04 3.22377862e-04 6.61513791e-04] [ 3.93075525e-04 -3.93075525e-04 4.21339334e-04] [-3.93075526e-04 3.93075527e-04 4.21339335e-04] [-3.22377863e-04 -3.22377862e-04 -6.61513793e-04] [ 3.22377862e-04 3.22377862e-04 -6.61513793e-04] [-3.93075527e-04 3.93075528e-04 -4.21339336e-04] [ 3.93075526e-04 -3.93075526e-04 -4.21339334e-04] [ 2.22072361e-12 -2.04292139e-12 2.50280352e-12] [-1.32263384e-12 5.02137996e-13 1.98462620e-13] [ 6.69149944e-04 4.37024454e-05 -3.86111021e-04] [-6.69149947e-04 -4.37024451e-05 -3.86111020e-04] [ 6.69149945e-04 4.37024439e-05 3.86111021e-04] [-6.69149947e-04 -4.37024399e-05 3.86111016e-04] [ 4.37024422e-05 6.69149945e-04 -3.86111017e-04] [ 4.37024367e-05 6.69149945e-04 3.86111013e-04] [-4.37024431e-05 -6.69149943e-04 -3.86111020e-04] [-4.37024386e-05 -6.69149945e-04 3.86111016e-04] [ 2.86605617e-04 2.86605617e-04 -2.79665180e-13] [ 1.41132611e-03 -1.41132611e-03 -1.61904691e-12] [-1.41132611e-03 1.41132611e-03 4.43591344e-13] [-2.86605621e-04 -2.86605612e-04 -1.28466855e-12] [ 6.69149947e-04 4.37024374e-05 -3.86111013e-04] [-6.69149944e-04 -4.37024392e-05 -3.86111015e-04] [ 6.69149945e-04 4.37024413e-05 3.86111017e-04] [-6.69149944e-04 -4.37024427e-05 3.86111018e-04] [ 4.37024441e-05 6.69149943e-04 -3.86111020e-04] [ 4.37024469e-05 6.69149944e-04 3.86111023e-04] [-4.37024417e-05 -6.69149948e-04 -3.86111018e-04] [-4.37024426e-05 -6.69149946e-04 3.86111018e-04] [ 2.86605617e-04 2.86605615e-04 3.17316562e-12] [ 1.41132611e-03 -1.41132611e-03 2.77447850e-12] [-1.41132611e-03 1.41132611e-03 1.09007001e-12] [-2.86605614e-04 -2.86605620e-04 1.64662424e-12]] Final stress: [-9.15200818e-06 -9.15200818e-06 3.97425071e-05 -1.36328807e-16 -4.55537722e-16 6.32842423e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.45644222e-04 4.68398063e-04 1.21931978e-13] [ 1.45644221e-04 -4.68398064e-04 3.66373598e-14] [ 4.68398063e-04 -1.45644218e-04 5.53987412e-13] [-4.68398062e-04 1.45644223e-04 4.74204009e-13] [-1.18878865e-13 9.16532475e-14 -1.60315558e-03] [ 4.11948253e-13 1.70585768e-13 1.60315558e-03] [-1.45644222e-04 4.68398063e-04 6.74931502e-14] [ 1.45644220e-04 -4.68398062e-04 -8.91254296e-14] [ 4.68398062e-04 -1.45644220e-04 -8.60845724e-15] [-4.68398063e-04 1.45644221e-04 -3.07454808e-13] [-5.98555493e-13 1.82795619e-13 -1.60315558e-03] [ 2.36939808e-13 1.69846678e-13 1.60315558e-03] [-5.90503251e-04 -5.90503251e-04 -6.22106136e-04] [ 5.90503251e-04 5.90503251e-04 -6.22106135e-04] [ 4.66814457e-04 -4.66814456e-04 -9.84519653e-04] [-4.66814455e-04 4.66814456e-04 -9.84519653e-04] [-5.90503251e-04 -5.90503252e-04 6.22106138e-04] [ 5.90503252e-04 5.90503251e-04 6.22106137e-04] [-4.66814455e-04 4.66814456e-04 9.84519653e-04] [ 4.66814456e-04 -4.66814455e-04 9.84519653e-04] [-5.90503253e-04 -5.90503252e-04 -6.22106135e-04] [ 5.90503251e-04 5.90503253e-04 -6.22106136e-04] [ 4.66814454e-04 -4.66814455e-04 -9.84519654e-04] [-4.66814456e-04 4.66814457e-04 -9.84519652e-04] [-5.90503250e-04 -5.90503250e-04 6.22106135e-04] [ 5.90503250e-04 5.90503251e-04 6.22106136e-04] [-4.66814458e-04 4.66814457e-04 9.84519652e-04] [ 4.66814455e-04 -4.66814456e-04 9.84519653e-04] [ 2.03639883e-12 -4.45243842e-12 3.24090754e-12] [ 1.13346268e-12 -1.45325079e-12 -5.39843251e-13] [-9.79321228e-04 1.18546267e-04 -6.17843775e-04] [ 9.79321227e-04 -1.18546265e-04 -6.17843771e-04] [-9.79321226e-04 1.18546265e-04 6.17843773e-04] [ 9.79321225e-04 -1.18546261e-04 6.17843768e-04] [ 1.18546270e-04 -9.79321228e-04 -6.17843776e-04] [ 1.18546268e-04 -9.79321227e-04 6.17843776e-04] [-1.18546272e-04 9.79321226e-04 -6.17843780e-04] [-1.18546269e-04 9.79321228e-04 6.17843778e-04] [-2.09507071e-03 -2.09507070e-03 -8.70525874e-13] [-4.49330604e-04 4.49330604e-04 -1.11185540e-12] [ 4.49330602e-04 -4.49330607e-04 -1.21627534e-12] [ 2.09507070e-03 2.09507070e-03 -2.57614069e-12] [-9.79321226e-04 1.18546268e-04 -6.17843775e-04] [ 9.79321230e-04 -1.18546269e-04 -6.17843776e-04] [-9.79321227e-04 1.18546272e-04 6.17843778e-04] [ 9.79321229e-04 -1.18546270e-04 6.17843776e-04] [ 1.18546264e-04 -9.79321228e-04 -6.17843772e-04] [ 1.18546269e-04 -9.79321229e-04 6.17843775e-04] [-1.18546262e-04 9.79321222e-04 -6.17843769e-04] [-1.18546265e-04 9.79321225e-04 6.17843771e-04] [-2.09507070e-03 -2.09507071e-03 1.72418114e-12] [-4.49330607e-04 4.49330602e-04 6.98614655e-13] [ 4.49330607e-04 -4.49330602e-04 2.71837864e-13] [ 2.09507070e-03 2.09507070e-03 1.38966009e-12]] Final stress: [-1.19823394e-05 -1.19823394e-05 5.93512082e-05 4.97101383e-16 -6.23454912e-16 1.37662179e-06] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.16503564e-03 -2.64883601e-14 -8.97732409e-14] [ 1.16503564e-03 2.15383267e-14 -1.20708998e-13] [-6.78424331e-14 -9.11170675e-04 -5.55258964e-14] [-3.38618023e-14 9.11170674e-04 2.23432384e-14] [ 1.11737876e-13 1.15836160e-14 -9.11170675e-04] [-5.36515277e-14 -7.99083022e-14 9.11170674e-04] [-1.16503564e-03 -1.00736693e-13 7.95410083e-14] [ 1.16503564e-03 -4.24898831e-14 -5.14871171e-15] [-3.75580643e-14 -9.11170675e-04 1.11636541e-13] [ 3.84826719e-14 9.11170674e-04 1.80874304e-14] [ 1.96366361e-14 -9.28996463e-14 -9.11170674e-04] [-1.35703081e-14 -2.27929717e-13 9.11170675e-04] [ 2.11283036e-04 -2.96214047e-04 -2.96214047e-04] [-2.11283036e-04 2.96214047e-04 -2.96214047e-04] [-2.11283036e-04 -2.96214047e-04 2.96214046e-04] [ 2.11283036e-04 2.96214047e-04 2.96214047e-04] [ 2.11283036e-04 -2.96214047e-04 2.96214047e-04] [-2.11283036e-04 2.96214047e-04 2.96214047e-04] [ 2.11283036e-04 2.96214047e-04 -2.96214047e-04] [-2.11283036e-04 -2.96214047e-04 -2.96214047e-04] [ 2.11283036e-04 -2.96214047e-04 -2.96214047e-04] [-2.11283036e-04 2.96214047e-04 -2.96214047e-04] [-2.11283036e-04 -2.96214046e-04 2.96214047e-04] [ 2.11283036e-04 2.96214047e-04 2.96214047e-04] [ 2.11283036e-04 -2.96214047e-04 2.96214047e-04] [-2.11283036e-04 2.96214047e-04 2.96214047e-04] [ 2.11283036e-04 2.96214047e-04 -2.96214047e-04] [-2.11283035e-04 -2.96214047e-04 -2.96214047e-04] [-3.89688282e-14 -5.11535259e-14 1.48603352e-13] [-1.08564199e-13 -4.11330059e-14 -1.93584991e-13] [ 1.65756298e-13 -6.51448378e-04 -6.51448379e-04] [-7.86003207e-14 6.51448378e-04 -6.51448379e-04] [ 3.00424616e-13 -6.51448378e-04 6.51448378e-04] [ 9.93528176e-14 6.51448378e-04 6.51448378e-04] [-2.30845483e-05 -2.39697151e-13 -2.31486229e-04] [-2.30845492e-05 -5.70290343e-14 2.31486228e-04] [ 2.30845486e-05 -1.38774409e-13 -2.31486228e-04] [ 2.30845492e-05 -5.92997873e-14 2.31486228e-04] [-2.30845488e-05 -2.31486228e-04 -2.23043806e-13] [ 2.30845487e-05 -2.31486228e-04 -3.67421371e-13] [-2.30845492e-05 2.31486228e-04 -2.69015712e-13] [ 2.30845492e-05 2.31486228e-04 -4.27800156e-13] [-4.90618830e-14 -6.51448379e-04 -6.51448378e-04] [ 3.93175076e-15 6.51448379e-04 -6.51448378e-04] [-1.38407081e-13 -6.51448378e-04 6.51448379e-04] [-5.31345801e-15 6.51448378e-04 6.51448378e-04] [-2.30845492e-05 1.09134264e-13 -2.31486228e-04] [-2.30845487e-05 8.50771276e-14 2.31486228e-04] [ 2.30845491e-05 2.30731233e-13 -2.31486228e-04] [ 2.30845488e-05 -6.02109508e-14 2.31486228e-04] [-2.30845488e-05 -2.31486228e-04 1.21097944e-13] [ 2.30845488e-05 -2.31486228e-04 2.13729022e-13] [-2.30845490e-05 2.31486228e-04 2.62309068e-13] [ 2.30845486e-05 2.31486228e-04 4.28901272e-13]] Final stress: [ 3.56139904e-05 -7.73910307e-06 -7.73910307e-06 2.95933970e-16 4.52213707e-16 -4.80477064e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.91681277e-04 -1.34029506e-13 1.28173991e-12] [-4.91681277e-04 -2.46080933e-13 -4.82391904e-14] [-2.68580731e-13 4.91681280e-04 9.30942823e-13] [ 7.09599046e-13 -4.91681276e-04 -1.27453603e-13] [ 1.04530100e-14 3.96858761e-13 -1.03108794e-04] [ 8.34610159e-13 -5.48117107e-13 1.03108791e-04] [ 4.91681280e-04 5.72048919e-13 -1.15651366e-12] [-4.91681275e-04 4.32414087e-13 -7.12151192e-13] [ 8.32134275e-13 4.91681280e-04 -3.32579437e-13] [ 1.57639526e-13 -4.91681275e-04 -5.61625500e-13] [-8.97329086e-13 3.04975671e-13 -1.03108792e-04] [-6.76713460e-13 2.65296040e-13 1.03108792e-04] [ 5.86463345e-05 5.86463360e-05 2.60491761e-04] [-5.86463331e-05 -5.86463328e-05 2.60491761e-04] [-5.86463330e-05 5.86463319e-05 -2.60491758e-04] [ 5.86463328e-05 -5.86463334e-05 -2.60491759e-04] [ 5.86463336e-05 5.86463338e-05 -2.60491760e-04] [-5.86463323e-05 -5.86463311e-05 -2.60491758e-04] [ 5.86463345e-05 -5.86463350e-05 2.60491761e-04] [-5.86463340e-05 5.86463342e-05 2.60491760e-04] [ 5.86463324e-05 5.86463338e-05 2.60491759e-04] [-5.86463326e-05 -5.86463323e-05 2.60491758e-04] [-5.86463346e-05 5.86463355e-05 -2.60491762e-04] [ 5.86463346e-05 -5.86463331e-05 -2.60491761e-04] [ 5.86463337e-05 5.86463348e-05 -2.60491761e-04] [-5.86463342e-05 -5.86463346e-05 -2.60491761e-04] [ 5.86463320e-05 -5.86463312e-05 2.60491759e-04] [-5.86463336e-05 5.86463336e-05 2.60491759e-04] [-3.69926312e-13 -3.73026610e-12 4.66293670e-12] [-4.62312653e-12 -3.80855538e-12 -2.95146663e-12] [-1.36912703e-12 -3.08823346e-05 1.02711618e-04] [-2.25357580e-12 3.08823331e-05 1.02711618e-04] [-1.48568484e-12 -3.08823429e-05 -1.02711623e-04] [-1.90591640e-12 3.08823458e-05 -1.02711628e-04] [-3.08823395e-05 -3.16457971e-12 1.02711623e-04] [-3.08823481e-05 -2.82735987e-12 -1.02711629e-04] [ 3.08823358e-05 -1.87513026e-12 1.02711620e-04] [ 3.08823439e-05 -1.40049951e-12 -1.02711626e-04] [-7.77369784e-05 -7.77369741e-05 -2.21844765e-12] [ 7.77369775e-05 -7.77369762e-05 -4.05163750e-12] [-7.77369735e-05 7.77369758e-05 -1.56475874e-12] [ 7.77369739e-05 7.77369781e-05 -2.44127114e-12] [ 1.35382287e-12 -3.08823439e-05 1.02711626e-04] [ 1.53761682e-12 3.08823444e-05 1.02711626e-04] [ 1.62045767e-12 -3.08823370e-05 -1.02711621e-04] [ 1.68352355e-12 3.08823367e-05 -1.02711621e-04] [-3.08823444e-05 -4.13205157e-12 1.02711626e-04] [-3.08823342e-05 -9.19947712e-14 -1.02711618e-04] [ 3.08823439e-05 -4.60714756e-12 1.02711626e-04] [ 3.08823369e-05 -1.59559779e-12 -1.02711621e-04] [-7.77369771e-05 -7.77369762e-05 4.67500376e-12] [ 7.77369808e-05 -7.77369709e-05 4.60593875e-12] [-7.77369755e-05 7.77369764e-05 4.44709431e-12] [ 7.77369778e-05 7.77369721e-05 3.94750075e-12]] Final stress: [-5.73361949e-06 -5.73361950e-06 1.50817500e-05 2.29426484e-15 5.48628550e-17 -1.72901119e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.85146471e-04 -2.07028839e-13 6.32153184e-13] [-3.85146473e-04 -2.79498646e-14 -5.70654635e-14] [ 4.39997865e-13 -2.65216313e-04 -4.96443598e-13] [-1.54626312e-13 2.65216314e-04 -7.55728813e-13] [-2.95270319e-13 -6.86415334e-13 3.85146471e-04] [ 1.25677246e-13 -1.45439216e-13 -3.85146473e-04] [ 3.85146474e-04 1.22840106e-12 -2.06202485e-13] [-3.85146469e-04 9.40410944e-14 -3.28092534e-14] [ 1.20733718e-13 -2.65216314e-04 -1.68194670e-13] [-1.48387812e-13 2.65216315e-04 -6.55227016e-13] [-3.62585396e-13 3.18256701e-13 3.85146471e-04] [-3.98957343e-13 3.88260046e-13 -3.85146472e-04] [ 8.23896383e-05 2.77014609e-04 8.23896384e-05] [-8.23896367e-05 -2.77014608e-04 8.23896377e-05] [-8.23896373e-05 2.77014608e-04 -8.23896363e-05] [ 8.23896382e-05 -2.77014610e-04 -8.23896384e-05] [ 8.23896378e-05 2.77014610e-04 -8.23896379e-05] [-8.23896364e-05 -2.77014609e-04 -8.23896368e-05] [ 8.23896386e-05 -2.77014611e-04 8.23896380e-05] [-8.23896364e-05 2.77014609e-04 8.23896370e-05] [ 8.23896379e-05 2.77014608e-04 8.23896365e-05] [-8.23896378e-05 -2.77014609e-04 8.23896378e-05] [-8.23896382e-05 2.77014611e-04 -8.23896383e-05] [ 8.23896372e-05 -2.77014608e-04 -8.23896368e-05] [ 8.23896375e-05 2.77014610e-04 -8.23896365e-05] [-8.23896378e-05 -2.77014610e-04 -8.23896375e-05] [ 8.23896363e-05 -2.77014608e-04 8.23896372e-05] [-8.23896372e-05 2.77014609e-04 8.23896382e-05] [ 2.48367993e-12 -1.52380886e-12 1.89229188e-12] [-4.52142143e-12 -1.45563053e-13 2.66161444e-13] [-4.95548047e-12 5.93023420e-05 9.44238538e-05] [-1.16610541e-12 -5.93023455e-05 9.44238501e-05] [-2.95550043e-12 5.93023421e-05 -9.44238522e-05] [-1.83266076e-12 -5.93023468e-05 -9.44238490e-05] [-2.41739268e-05 -1.50546242e-12 -2.41739310e-05] [-2.41739249e-05 -2.05810369e-12 2.41739323e-05] [ 2.41739241e-05 -2.82464156e-12 -2.41739337e-05] [ 2.41739261e-05 -5.74373882e-13 2.41739315e-05] [ 9.44238431e-05 5.93023513e-05 2.43360887e-13] [-9.44238476e-05 5.93023469e-05 -2.32739175e-13] [ 9.44238465e-05 -5.93023501e-05 3.27099459e-14] [-9.44238479e-05 -5.93023474e-05 -8.77417930e-13] [-1.29976802e-12 5.93023489e-05 9.44238457e-05] [ 8.85991801e-13 -5.93023500e-05 9.44238448e-05] [ 1.61168344e-12 5.93023506e-05 -9.44238448e-05] [ 1.67523851e-12 -5.93023492e-05 -9.44238453e-05] [-2.41739291e-05 9.01708750e-13 -2.41739291e-05] [-2.41739288e-05 -1.21245353e-12 2.41739298e-05] [ 2.41739317e-05 -8.44747883e-13 -2.41739255e-05] [ 2.41739339e-05 9.07785132e-13 2.41739235e-05] [ 9.44238494e-05 5.93023451e-05 1.58210036e-13] [-9.44238482e-05 5.93023466e-05 -6.45754436e-13] [ 9.44238556e-05 -5.93023389e-05 1.31983939e-12] [-9.44238529e-05 -5.93023433e-05 -7.93975129e-13]] Final stress: [-6.96113706e-06 1.43607596e-05 -6.96113706e-06 3.90690028e-16 1.09725710e-16 1.58936028e-15] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.32266615e-04 -2.77147662e-13 -3.66161907e-05] [ 4.32266617e-04 -8.38218384e-15 3.66161905e-05] [-5.38870164e-14 1.76755184e-05 -6.86382375e-14] [-1.76608728e-13 -1.76755176e-05 1.46826995e-13] [-3.65235458e-05 -1.92319251e-13 1.79955120e-05] [ 3.65235458e-05 -3.63514774e-13 -1.79955114e-05] [-4.32266614e-04 -7.99273842e-16 -3.66161899e-05] [ 4.32266616e-04 2.33217959e-13 3.66161903e-05] [-3.57059868e-13 1.76755185e-05 5.07650204e-14] [ 1.17043094e-13 -1.76755179e-05 -7.12926142e-14] [-3.65235458e-05 -4.95655660e-13 1.79955100e-05] [ 3.65235461e-05 -1.63395366e-13 -1.79955120e-05] [-9.05740542e-06 1.40707519e-04 -1.90518591e-04] [-6.73503467e-05 4.46190956e-04 -1.14649287e-04] [ 9.05740480e-06 1.40707519e-04 1.90518591e-04] [ 6.73503460e-05 4.46190955e-04 1.14649285e-04] [ 6.73503460e-05 -4.46190956e-04 1.14649286e-04] [ 9.05740549e-06 -1.40707519e-04 1.90518590e-04] [-9.05740501e-06 -1.40707519e-04 -1.90518590e-04] [-6.73503456e-05 -4.46190956e-04 -1.14649287e-04] [-9.05740561e-06 1.40707520e-04 -1.90518591e-04] [-6.73503456e-05 4.46190956e-04 -1.14649285e-04] [ 9.05740517e-06 1.40707520e-04 1.90518590e-04] [ 6.73503453e-05 4.46190956e-04 1.14649287e-04] [ 6.73503458e-05 -4.46190955e-04 1.14649286e-04] [ 9.05740509e-06 -1.40707519e-04 1.90518591e-04] [-9.05740535e-06 -1.40707519e-04 -1.90518590e-04] [-6.73503461e-05 -4.46190954e-04 -1.14649287e-04] [-4.58522109e-14 -1.11119447e-12 -3.91131572e-13] [-1.12350927e-12 2.83462806e-13 6.31337541e-13] [ 3.98218897e-04 -2.32351435e-04 -2.32224169e-04] [ 3.98218896e-04 2.32351433e-04 -2.32224171e-04] [-3.98218898e-04 -2.32351435e-04 2.32224169e-04] [-3.98218899e-04 2.32351435e-04 2.32224168e-04] [ 2.75097570e-04 -2.08100204e-12 2.18085031e-04] [-3.76156337e-04 8.74182671e-13 4.33354082e-04] [ 3.76156336e-04 -1.48696160e-12 -4.33354082e-04] [-2.75097572e-04 -8.25874091e-13 -2.18085028e-04] [-5.05393938e-05 -1.07772035e-04 3.98877950e-04] [ 5.05393943e-05 -1.07772036e-04 -3.98877946e-04] [-5.05393937e-05 1.07772036e-04 3.98877949e-04] [ 5.05393918e-05 1.07772037e-04 -3.98877949e-04] [ 3.98218900e-04 -2.32351437e-04 -2.32224166e-04] [ 3.98218898e-04 2.32351435e-04 -2.32224168e-04] [-3.98218899e-04 -2.32351436e-04 2.32224167e-04] [-3.98218899e-04 2.32351440e-04 2.32224165e-04] [ 2.75097573e-04 -1.55233587e-12 2.18085027e-04] [-3.76156332e-04 -3.60969501e-13 4.33354087e-04] [ 3.76156334e-04 -1.34345833e-12 -4.33354085e-04] [-2.75097572e-04 -2.56688767e-13 -2.18085029e-04] [-5.05393959e-05 -1.07772034e-04 3.98877948e-04] [ 5.05393987e-05 -1.07772032e-04 -3.98877947e-04] [-5.05393943e-05 1.07772035e-04 3.98877946e-04] [ 5.05393961e-05 1.07772033e-04 -3.98877946e-04]] Final stress: [ 1.55396157e-05 -4.07517454e-06 -4.07121536e-06 -3.47470961e-16 2.34713155e-06 -5.65263765e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.32327544e-04 1.10401271e-13 3.66314012e-05] [ 4.32327541e-04 2.95596880e-14 -3.66314007e-05] [ 2.85332088e-13 1.78609752e-05 5.53828684e-13] [-2.12996287e-13 -1.78609759e-05 -1.23984156e-13] [ 3.65389437e-05 -2.68423304e-13 1.81809120e-05] [-3.65389433e-05 -1.87988514e-13 -1.81809133e-05] [-4.32327541e-04 1.90791393e-13 3.66313999e-05] [ 4.32327543e-04 3.89163961e-13 -3.66314001e-05] [ 1.47317488e-13 1.78609760e-05 -4.77586773e-14] [-9.53308613e-14 -1.78609747e-05 -3.75770459e-14] [ 3.65389440e-05 -1.42347129e-13 1.81809116e-05] [-3.65389440e-05 1.49142543e-14 -1.81809122e-05] [ 6.73918027e-05 -4.46181857e-04 -1.14637844e-04] [ 9.07655443e-06 -1.40660593e-04 -1.90567900e-04] [-6.73918024e-05 -4.46181858e-04 1.14637845e-04] [-9.07655471e-06 -1.40660594e-04 1.90567900e-04] [-9.07655481e-06 1.40660594e-04 1.90567900e-04] [-6.73918024e-05 4.46181859e-04 1.14637845e-04] [ 6.73918028e-05 4.46181857e-04 -1.14637844e-04] [ 9.07655446e-06 1.40660594e-04 -1.90567900e-04] [ 6.73918010e-05 -4.46181858e-04 -1.14637846e-04] [ 9.07655368e-06 -1.40660594e-04 -1.90567901e-04] [-6.73918025e-05 -4.46181857e-04 1.14637844e-04] [-9.07655440e-06 -1.40660593e-04 1.90567900e-04] [-9.07655529e-06 1.40660594e-04 1.90567901e-04] [-6.73918029e-05 4.46181857e-04 1.14637843e-04] [ 6.73918010e-05 4.46181859e-04 -1.14637845e-04] [ 9.07655463e-06 1.40660594e-04 -1.90567902e-04] [ 2.41751064e-12 1.04197206e-12 1.77385884e-12] [-1.46050836e-12 -6.37479877e-13 1.09684743e-13] [-3.98340400e-04 -2.32268533e-04 -2.32141337e-04] [-3.98340401e-04 2.32268531e-04 -2.32141338e-04] [ 3.98340401e-04 -2.32268538e-04 2.32141334e-04] [ 3.98340400e-04 2.32268536e-04 2.32141335e-04] [-3.77549095e-04 -1.30873090e-12 -4.31973941e-04] [ 2.73598346e-04 -2.13178607e-12 -2.19359764e-04] [-2.73598353e-04 -1.81167581e-13 2.19359757e-04] [ 3.77549100e-04 -2.74559889e-13 4.31973938e-04] [-5.19854207e-05 -1.06444559e-04 -3.98999337e-04] [ 5.19854212e-05 -1.06444559e-04 3.98999334e-04] [-5.19854187e-05 1.06444560e-04 -3.98999337e-04] [ 5.19854182e-05 1.06444562e-04 3.98999334e-04] [-3.98340402e-04 -2.32268537e-04 -2.32141334e-04] [-3.98340401e-04 2.32268536e-04 -2.32141335e-04] [ 3.98340404e-04 -2.32268532e-04 2.32141338e-04] [ 3.98340404e-04 2.32268531e-04 2.32141340e-04] [-3.77549098e-04 -1.11571646e-12 -4.31973939e-04] [ 2.73598350e-04 -1.00928554e-12 -2.19359760e-04] [-2.73598346e-04 -8.90347258e-13 2.19359763e-04] [ 3.77549094e-04 6.07345337e-13 4.31973943e-04] [-5.19854197e-05 -1.06444561e-04 -3.98999332e-04] [ 5.19854223e-05 -1.06444558e-04 3.98999336e-04] [-5.19854186e-05 1.06444562e-04 -3.98999332e-04] [ 5.19854175e-05 1.06444562e-04 3.98999336e-04]] Final stress: [ 1.55445253e-05 -4.07733966e-06 -4.07338126e-06 4.30597986e-16 -2.34714121e-06 6.08489817e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.32744112e-04 -3.55046885e-05 1.53956708e-16] [ 4.32744111e-04 3.55046887e-05 2.95569125e-13] [-3.54112692e-05 1.70909078e-05 3.50830476e-13] [ 3.54112683e-05 -1.70909048e-05 4.18221013e-13] [-1.26890685e-14 1.93658457e-13 1.67707851e-05] [-2.19241292e-13 8.40438830e-14 -1.67707860e-05] [-4.32744111e-04 -3.55046886e-05 3.68711384e-13] [ 4.32744111e-04 3.55046887e-05 -1.93509077e-13] [-3.54112689e-05 1.70909097e-05 -3.95116969e-14] [ 3.54112683e-05 -1.70909065e-05 -1.08693543e-13] [-1.70762276e-13 4.06915305e-13 1.67707847e-05] [ 2.56196973e-13 3.42268302e-13 -1.67707843e-05] [-8.93765725e-06 -1.90517443e-04 1.41648660e-04] [ 8.93765749e-06 1.90517443e-04 1.41648660e-04] [-6.76263459e-05 -1.14489834e-04 4.46971900e-04] [ 6.76263459e-05 1.14489833e-04 4.46971900e-04] [-8.93765780e-06 -1.90517444e-04 -1.41648660e-04] [ 8.93765819e-06 1.90517444e-04 -1.41648659e-04] [ 6.76263465e-05 1.14489833e-04 -4.46971900e-04] [-6.76263468e-05 -1.14489833e-04 -4.46971900e-04] [-8.93765735e-06 -1.90517445e-04 1.41648659e-04] [ 8.93765822e-06 1.90517444e-04 1.41648660e-04] [-6.76263470e-05 -1.14489833e-04 4.46971899e-04] [ 6.76263463e-05 1.14489833e-04 4.46971899e-04] [-8.93765689e-06 -1.90517444e-04 -1.41648661e-04] [ 8.93765736e-06 1.90517443e-04 -1.41648661e-04] [ 6.76263458e-05 1.14489834e-04 -4.46971900e-04] [-6.76263461e-05 -1.14489833e-04 -4.46971899e-04] [ 9.82380843e-13 -1.54637414e-12 1.55497837e-12] [ 9.01475075e-14 -1.42587489e-12 -1.15646577e-12] [ 3.97772473e-04 -2.31965238e-04 -2.32092432e-04] [-3.97772475e-04 2.31965239e-04 -2.32092431e-04] [ 3.97772475e-04 -2.31965240e-04 2.32092430e-04] [-3.97772474e-04 2.31965244e-04 2.32092426e-04] [-5.07669123e-05 3.98430903e-04 -1.07009828e-04] [-5.07669166e-05 3.98430903e-04 1.07009825e-04] [ 5.07669132e-05 -3.98430904e-04 -1.07009827e-04] [ 5.07669167e-05 -3.98430903e-04 1.07009825e-04] [ 2.75033461e-04 2.19010969e-04 -5.31907851e-13] [ 3.76546991e-04 -4.32755478e-04 -1.47406913e-12] [-3.76546989e-04 4.32755478e-04 -1.03413458e-12] [-2.75033463e-04 -2.19010967e-04 -1.53577324e-12] [ 3.97772474e-04 -2.31965241e-04 -2.32092429e-04] [-3.97772474e-04 2.31965241e-04 -2.32092430e-04] [ 3.97772474e-04 -2.31965237e-04 2.32092432e-04] [-3.97772475e-04 2.31965238e-04 2.32092432e-04] [-5.07669164e-05 3.98430901e-04 -1.07009824e-04] [-5.07669121e-05 3.98430902e-04 1.07009827e-04] [ 5.07669171e-05 -3.98430905e-04 -1.07009823e-04] [ 5.07669142e-05 -3.98430904e-04 1.07009826e-04] [ 2.75033464e-04 2.19010966e-04 1.59059706e-12] [ 3.76546988e-04 -4.32755480e-04 2.87859215e-12] [-3.76546990e-04 4.32755478e-04 1.01228897e-12] [-2.75033462e-04 -2.19010967e-04 1.45268303e-12]] Final stress: [ 1.55346693e-05 -4.07787981e-06 -4.08184603e-06 5.15387550e-17 4.82136741e-17 2.35838115e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.31834816e-04 3.75205407e-05 2.16725943e-13] [ 4.31834816e-04 -3.75205403e-05 4.04926093e-13] [ 3.74286454e-05 1.95624590e-05 4.36219637e-13] [-3.74286451e-05 -1.95624580e-05 5.25413046e-14] [ 5.27538083e-13 -4.27931128e-13 1.92426835e-05] [ 8.60450600e-13 -2.67702527e-13 -1.92426851e-05] [-4.31834815e-04 3.75205402e-05 -3.56279760e-13] [ 4.31834816e-04 -3.75205403e-05 2.19917408e-13] [ 3.74286449e-05 1.95624600e-05 -4.90308771e-14] [-3.74286454e-05 -1.95624587e-05 -3.33757845e-14] [-2.94737759e-13 -1.85830705e-13 1.92426846e-05] [-4.36790361e-14 4.21195213e-14 -1.92426838e-05] [ 6.72743822e-05 -1.14645940e-04 -4.45502223e-04] [-6.72743819e-05 1.14645942e-04 -4.45502222e-04] [ 9.42749124e-06 -1.90807899e-04 -1.39733132e-04] [-9.42749140e-06 1.90807899e-04 -1.39733132e-04] [ 6.72743817e-05 -1.14645941e-04 4.45502223e-04] [-6.72743809e-05 1.14645942e-04 4.45502224e-04] [-9.42749111e-06 1.90807899e-04 1.39733133e-04] [ 9.42749161e-06 -1.90807899e-04 1.39733133e-04] [ 6.72743821e-05 -1.14645943e-04 -4.45502224e-04] [-6.72743819e-05 1.14645942e-04 -4.45502223e-04] [ 9.42749040e-06 -1.90807899e-04 -1.39733133e-04] [-9.42749246e-06 1.90807899e-04 -1.39733133e-04] [ 6.72743825e-05 -1.14645942e-04 4.45502223e-04] [-6.72743826e-05 1.14645941e-04 4.45502222e-04] [-9.42749271e-06 1.90807900e-04 1.39733132e-04] [ 9.42749124e-06 -1.90807899e-04 1.39733132e-04] [ 1.98227545e-12 -1.03941855e-12 2.18339236e-12] [-6.84316753e-13 -1.00645746e-12 -8.71945556e-13] [-3.99258100e-04 -2.32332346e-04 -2.32459584e-04] [ 3.99258101e-04 2.32332344e-04 -2.32459587e-04] [-3.99258100e-04 -2.32332348e-04 2.32459583e-04] [ 3.99258099e-04 2.32332348e-04 2.32459583e-04] [-5.31232703e-05 -3.99917552e-04 -1.06032243e-04] [-5.31232714e-05 -3.99917553e-04 1.06032241e-04] [ 5.31232697e-05 3.99917550e-04 -1.06032243e-04] [ 5.31232733e-05 3.99917551e-04 1.06032240e-04] [-3.78347213e-04 -4.31221796e-04 -1.00619513e-12] [-2.72120565e-04 2.19432138e-04 -2.19047003e-12] [ 2.72120565e-04 -2.19432140e-04 -1.53241829e-12] [ 3.78347212e-04 4.31221797e-04 -1.05242551e-12] [-3.99258100e-04 -2.32332347e-04 -2.32459584e-04] [ 3.99258101e-04 2.32332348e-04 -2.32459583e-04] [-3.99258099e-04 -2.32332344e-04 2.32459586e-04] [ 3.99258099e-04 2.32332344e-04 2.32459586e-04] [-5.31232726e-05 -3.99917552e-04 -1.06032240e-04] [-5.31232697e-05 -3.99917551e-04 1.06032242e-04] [ 5.31232742e-05 3.99917551e-04 -1.06032239e-04] [ 5.31232696e-05 3.99917552e-04 1.06032241e-04] [-3.78347214e-04 -4.31221796e-04 2.21581889e-12] [-2.72120566e-04 2.19432139e-04 -4.89726498e-14] [ 2.72120566e-04 -2.19432137e-04 1.65455982e-12] [ 3.78347210e-04 4.31221798e-04 -1.48180513e-13]] Final stress: [ 1.55554576e-05 -4.06844938e-06 -4.07239999e-06 -1.19702915e-16 -8.06332135e-16 -2.33861988e-06] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.43890842e-04 -5.94966784e-14 4.49345422e-14] [ 9.43890841e-04 -1.09079412e-14 -1.95954364e-14] [-1.03527430e-13 -1.22034142e-03 -9.02151617e-14] [-1.20459198e-13 1.22034142e-03 -6.85007606e-14] [-2.01881480e-13 -5.10997494e-14 -9.43890842e-04] [-1.27675648e-14 4.41868764e-14 9.43890841e-04] [-9.43890842e-04 -1.18631233e-13 6.49920121e-14] [ 9.43890842e-04 -3.81326914e-14 -4.73619681e-14] [-7.96888597e-15 -1.22034142e-03 -4.05447136e-15] [-5.50115509e-14 1.22034142e-03 -1.38770398e-13] [-8.57248300e-14 -4.23297665e-14 -9.43890842e-04] [-5.81084660e-14 -1.69255493e-13 9.43890842e-04] [-3.13493886e-04 2.19162671e-04 -3.13493886e-04] [ 3.13493887e-04 -2.19162671e-04 -3.13493887e-04] [ 3.13493886e-04 2.19162671e-04 3.13493887e-04] [-3.13493887e-04 -2.19162671e-04 3.13493886e-04] [-3.13493886e-04 2.19162671e-04 3.13493886e-04] [ 3.13493887e-04 -2.19162671e-04 3.13493887e-04] [-3.13493887e-04 -2.19162671e-04 -3.13493887e-04] [ 3.13493887e-04 2.19162671e-04 -3.13493887e-04] [-3.13493887e-04 2.19162671e-04 -3.13493887e-04] [ 3.13493887e-04 -2.19162671e-04 -3.13493886e-04] [ 3.13493887e-04 2.19162671e-04 3.13493887e-04] [-3.13493886e-04 -2.19162671e-04 3.13493887e-04] [-3.13493886e-04 2.19162671e-04 3.13493887e-04] [ 3.13493887e-04 -2.19162671e-04 3.13493887e-04] [-3.13493887e-04 -2.19162671e-04 -3.13493887e-04] [ 3.13493887e-04 2.19162671e-04 -3.13493886e-04] [ 6.54198917e-14 -1.22540866e-13 2.76445533e-14] [-1.86076848e-13 1.66063607e-13 -1.56251184e-13] [ 1.36335387e-13 -2.07412176e-05 -2.55008433e-04] [ 1.89431804e-15 2.07412179e-05 -2.55008432e-04] [-2.53677288e-13 -2.07412180e-05 2.55008432e-04] [-6.75865613e-14 2.07412182e-05 2.55008432e-04] [-6.89366005e-04 1.39777079e-13 -6.89366005e-04] [-6.89366005e-04 2.35256259e-13 6.89366004e-04] [ 6.89366005e-04 -1.88113414e-14 -6.89366005e-04] [ 6.89366005e-04 1.35429862e-14 6.89366005e-04] [-2.55008432e-04 -2.07412181e-05 -3.69926312e-13] [ 2.55008432e-04 -2.07412180e-05 -1.31245709e-13] [-2.55008432e-04 2.07412183e-05 -1.61703984e-13] [ 2.55008432e-04 2.07412183e-05 -1.06590084e-13] [ 5.83751797e-14 -2.07412185e-05 -2.55008432e-04] [ 9.59618669e-14 2.07412183e-05 -2.55008432e-04] [ 1.53553385e-14 -2.07412181e-05 2.55008432e-04] [ 3.21179715e-14 2.07412180e-05 2.55008432e-04] [-6.89366005e-04 -5.76592476e-14 -6.89366005e-04] [-6.89366004e-04 -1.59464456e-14 6.89366005e-04] [ 6.89366005e-04 1.20977880e-13 -6.89366005e-04] [ 6.89366004e-04 -6.70236436e-14 6.89366005e-04] [-2.55008432e-04 -2.07412182e-05 1.65554231e-13] [ 2.55008432e-04 -2.07412181e-05 1.66266469e-13] [-2.55008432e-04 2.07412181e-05 6.58215446e-14] [ 2.55008433e-04 2.07412177e-05 2.70252570e-14]] Final stress: [-7.83555693e-06 3.76757531e-05 -7.83555693e-06 -8.97777213e-17 -4.98765118e-18 -1.86205644e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.34630689e-04 7.56421835e-14 3.30288314e-13] [ 3.34630685e-04 -8.68999317e-13 4.78839191e-13] [ 1.15562811e-12 3.47337543e-04 -6.45880918e-14] [ 8.14515122e-13 -3.47337542e-04 -6.15979490e-13] [ 3.29973028e-13 -5.49760758e-13 3.47337541e-04] [ 2.22322161e-14 -6.43735065e-13 -3.47337542e-04] [-3.34630686e-04 2.01479458e-14 1.22807668e-13] [ 3.34630688e-04 5.96668982e-13 1.78481036e-13] [-1.61257336e-12 3.47337545e-04 -1.73459046e-13] [-7.19646565e-13 -3.47337540e-04 2.07240698e-13] [-8.73708224e-13 4.52025514e-13 3.47337542e-04] [ 9.96221335e-14 3.61938114e-13 -3.47337543e-04] [ 2.80741317e-04 8.90798041e-05 8.90798039e-05] [-2.80741315e-04 -8.90798035e-05 8.90798005e-05] [-2.80741316e-04 8.90798016e-05 -8.90798031e-05] [ 2.80741317e-04 -8.90798034e-05 -8.90798043e-05] [ 2.80741318e-04 8.90798038e-05 -8.90798037e-05] [-2.80741315e-04 -8.90798018e-05 -8.90798013e-05] [ 2.80741317e-04 -8.90798032e-05 8.90798033e-05] [-2.80741316e-04 8.90798034e-05 8.90798017e-05] [ 2.80741315e-04 8.90798041e-05 8.90798011e-05] [-2.80741317e-04 -8.90798033e-05 8.90798035e-05] [-2.80741317e-04 8.90798047e-05 -8.90798034e-05] [ 2.80741316e-04 -8.90798018e-05 -8.90798022e-05] [ 2.80741316e-04 8.90798037e-05 -8.90798025e-05] [-2.80741318e-04 -8.90798029e-05 -8.90798041e-05] [ 2.80741315e-04 -8.90798020e-05 8.90798005e-05] [-2.80741319e-04 8.90798040e-05 8.90798035e-05] [ 4.46703785e-12 -2.18222662e-12 1.02376441e-12] [-4.04470554e-12 -3.45279492e-12 3.88842146e-13] [ 1.99396055e-13 -2.43718612e-05 -2.43718580e-05] [-1.44295513e-12 2.43718612e-05 -2.43718569e-05] [ 5.84567117e-14 -2.43718613e-05 2.43718586e-05] [-9.77372697e-13 2.43718608e-05 2.43718573e-05] [ 7.12898021e-05 -1.35014222e-12 7.28487980e-05] [ 7.12898006e-05 -2.97629976e-13 -7.28487975e-05] [-7.12898030e-05 8.02672165e-13 7.28487925e-05] [-7.12898029e-05 -2.91169693e-12 -7.28487927e-05] [ 7.12897990e-05 7.28487965e-05 1.03872466e-12] [-7.12897991e-05 7.28487959e-05 1.90852542e-12] [ 7.12898003e-05 -7.28487973e-05 2.75467843e-12] [-7.12898025e-05 -7.28487944e-05 2.38455089e-13] [ 3.66856632e-12 -2.43718585e-05 -2.43718607e-05] [ 6.13344011e-13 2.43718582e-05 -2.43718606e-05] [ 6.40642053e-13 -2.43718599e-05 2.43718587e-05] [ 3.43778348e-12 2.43718588e-05 2.43718601e-05] [ 7.12898011e-05 -9.88930455e-13 7.28487961e-05] [ 7.12897987e-05 -1.55939736e-12 -7.28487971e-05] [-7.12898022e-05 -4.74969456e-13 7.28487979e-05] [-7.12897985e-05 2.09900240e-13 -7.28487986e-05] [ 7.12898037e-05 7.28487929e-05 6.89218252e-13] [-7.12898011e-05 7.28487970e-05 1.38071992e-12] [ 7.12898035e-05 -7.28487938e-05 -4.32906376e-14] [-7.12898019e-05 -7.28487953e-05 1.35304485e-12]] Final stress: [ 1.44831025e-05 -6.88028528e-06 -6.88028529e-06 6.01828894e-16 -7.66417459e-16 -6.83291921e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.18363932e-05 -1.60324011e-13 4.73627214e-14] [-2.18363933e-05 -2.75224288e-13 1.04916076e-13] [ 3.16427873e-13 -4.30771849e-04 -4.00442134e-05] [ 4.49779103e-13 4.30771851e-04 4.00442132e-05] [ 2.07267363e-13 -3.99542502e-05 2.21557940e-05] [ 4.29378755e-14 3.99542498e-05 -2.21557944e-05] [ 2.18363932e-05 -6.62533830e-13 4.36269891e-13] [-2.18363931e-05 2.64155451e-13 1.59485050e-13] [-4.67690123e-13 -4.30771849e-04 -4.00442134e-05] [ 2.54954044e-13 4.30771850e-04 4.00442134e-05] [-1.30629015e-14 -3.99542496e-05 2.21557942e-05] [-1.03454571e-13 3.99542503e-05 -2.21557947e-05] [ 1.37467383e-04 -9.85263395e-06 -1.90992516e-04] [ 4.43705144e-04 -6.67533644e-05 -1.14930900e-04] [ 4.43705144e-04 6.67533648e-05 1.14930900e-04] [ 1.37467383e-04 9.85263430e-06 1.90992515e-04] [-4.43705143e-04 6.67533643e-05 1.14930899e-04] [-1.37467383e-04 9.85263401e-06 1.90992516e-04] [-4.43705144e-04 -6.67533645e-05 -1.14930899e-04] [-1.37467383e-04 -9.85263419e-06 -1.90992516e-04] [ 1.37467383e-04 -9.85263361e-06 -1.90992516e-04] [ 4.43705144e-04 -6.67533642e-05 -1.14930900e-04] [ 4.43705143e-04 6.67533648e-05 1.14930900e-04] [ 1.37467382e-04 9.85263478e-06 1.90992516e-04] [-4.43705144e-04 6.67533650e-05 1.14930899e-04] [-1.37467383e-04 9.85263435e-06 1.90992516e-04] [-4.43705145e-04 -6.67533645e-05 -1.14930900e-04] [-1.37467384e-04 -9.85263315e-06 -1.90992516e-04] [ 9.40636458e-13 -2.20551355e-12 5.66185987e-13] [-1.75066558e-13 -9.86248945e-13 2.50609174e-13] [-8.46434034e-13 2.69775165e-04 2.19209500e-04] [-1.47630345e-12 3.79621537e-04 -4.30373036e-04] [ 1.25934332e-12 -3.79621536e-04 4.30373037e-04] [-1.10284178e-12 -2.69775164e-04 -2.19209503e-04] [-2.32943256e-04 4.00697606e-04 -2.32815954e-04] [-2.32943256e-04 -4.00697606e-04 2.32815955e-04] [ 2.32943253e-04 4.00697606e-04 -2.32815959e-04] [ 2.32943255e-04 -4.00697607e-04 2.32815957e-04] [-1.05718978e-04 -5.49328728e-05 4.01358342e-04] [ 1.05718977e-04 -5.49328746e-05 4.01358342e-04] [-1.05718975e-04 5.49328745e-05 -4.01358341e-04] [ 1.05718976e-04 5.49328740e-05 -4.01358343e-04] [ 1.32066667e-13 2.69775165e-04 2.19209501e-04] [ 6.28056634e-15 3.79621539e-04 -4.30373035e-04] [ 1.19858984e-13 -3.79621538e-04 4.30373036e-04] [ 1.49884055e-12 -2.69775165e-04 -2.19209501e-04] [-2.32943255e-04 4.00697605e-04 -2.32815956e-04] [-2.32943254e-04 -4.00697606e-04 2.32815958e-04] [ 2.32943254e-04 4.00697604e-04 -2.32815957e-04] [ 2.32943256e-04 -4.00697607e-04 2.32815955e-04] [-1.05718974e-04 -5.49328762e-05 4.01358344e-04] [ 1.05718978e-04 -5.49328725e-05 4.01358343e-04] [-1.05718976e-04 5.49328746e-05 -4.01358342e-04] [ 1.05718978e-04 5.49328726e-05 -4.01358342e-04]] Final stress: [-4.06002160e-06 1.55759170e-05 -4.05608869e-06 2.31351079e-06 7.24867651e-16 -1.64757762e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.46748019e-05 -6.46865374e-14 3.07576881e-13] [-1.46748036e-05 -1.93872696e-13 -1.67366121e-13] [ 3.00652732e-13 -4.33706484e-04 2.88243713e-05] [ 2.16160423e-13 4.33706483e-04 -2.88243710e-05] [-3.97884416e-13 2.87239647e-05 1.49954673e-05] [ 3.83054699e-13 -2.87239655e-05 -1.49954682e-05] [ 1.46748032e-05 2.94105018e-14 -1.11598682e-13] [-1.46748022e-05 3.24411505e-13 -5.07500219e-13] [-8.76182807e-14 -4.33706484e-04 2.88243712e-05] [-1.00419673e-13 4.33706485e-04 -2.88243716e-05] [ 1.77765788e-14 2.87239651e-05 1.49954678e-05] [-3.23413171e-13 -2.87239652e-05 -1.49954678e-05] [-4.50965184e-04 6.95640547e-05 -1.12674764e-04] [-1.46165005e-04 1.00933939e-05 -1.91806428e-04] [-1.46165005e-04 -1.00933936e-05 1.91806428e-04] [-4.50965186e-04 -6.95640535e-05 1.12674764e-04] [ 1.46165005e-04 -1.00933931e-05 1.91806427e-04] [ 4.50965186e-04 -6.95640543e-05 1.12674766e-04] [ 1.46165005e-04 1.00933928e-05 -1.91806427e-04] [ 4.50965185e-04 6.95640544e-05 -1.12674765e-04] [-4.50965187e-04 6.95640543e-05 -1.12674765e-04] [-1.46165005e-04 1.00933939e-05 -1.91806427e-04] [-1.46165005e-04 -1.00933925e-05 1.91806427e-04] [-4.50965186e-04 -6.95640538e-05 1.12674765e-04] [ 1.46165004e-04 -1.00933925e-05 1.91806428e-04] [ 4.50965185e-04 -6.95640544e-05 1.12674764e-04] [ 1.46165004e-04 1.00933946e-05 -1.91806428e-04] [ 4.50965185e-04 6.95640551e-05 -1.12674766e-04] [ 2.31056840e-12 -5.11563014e-13 1.52494684e-12] [-1.17660569e-12 -2.05620140e-12 -8.99156331e-13] [-2.69895217e-13 -3.71040766e-04 -4.35542988e-04] [-8.06018446e-13 -2.79985341e-04 2.15664489e-04] [ 4.99912611e-14 2.79985340e-04 -2.15664489e-04] [-9.00396077e-13 3.71040764e-04 4.35542990e-04] [-2.31365644e-04 -3.98113002e-04 -2.31239228e-04] [-2.31365644e-04 3.98113000e-04 2.31239229e-04] [ 2.31365640e-04 -3.98113002e-04 -2.31239233e-04] [ 2.31365643e-04 3.98113000e-04 2.31239232e-04] [-1.10076950e-04 -4.55387671e-05 -3.98768562e-04] [ 1.10076950e-04 -4.55387685e-05 -3.98768561e-04] [-1.10076950e-04 4.55387658e-05 3.98768562e-04] [ 1.10076949e-04 4.55387676e-05 3.98768563e-04] [ 6.49720295e-13 -3.71040765e-04 -4.35542990e-04] [ 1.22957547e-12 -2.79985340e-04 2.15664489e-04] [ 2.18929432e-12 2.79985341e-04 -2.15664488e-04] [ 1.51984762e-12 3.71040766e-04 4.35542988e-04] [-2.31365642e-04 -3.98113000e-04 -2.31239231e-04] [-2.31365644e-04 3.98113001e-04 2.31239230e-04] [ 2.31365642e-04 -3.98113001e-04 -2.31239231e-04] [ 2.31365644e-04 3.98113002e-04 2.31239229e-04] [-1.10076949e-04 -4.55387686e-05 -3.98768561e-04] [ 1.10076953e-04 -4.55387646e-05 -3.98768562e-04] [-1.10076948e-04 4.55387690e-05 3.98768563e-04] [ 1.10076951e-04 4.55387671e-05 3.98768562e-04]] Final stress: [-4.09744435e-06 1.54981668e-05 -4.09344594e-06 -2.42782799e-06 5.18712631e-16 1.71241670e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.31694204e-05 -3.87780808e-05 3.70692192e-13] [-2.31694214e-05 3.87780804e-05 2.92516011e-13] [-3.88697349e-05 -4.30425763e-04 3.49809591e-13] [ 3.88697347e-05 4.30425767e-04 -3.85941279e-13] [-2.11199981e-13 -1.92177003e-13 2.28501079e-05] [ 2.80997448e-13 3.23491234e-13 -2.28501094e-05] [ 2.31694214e-05 -3.87780809e-05 4.63835782e-13] [-2.31694194e-05 3.87780808e-05 -1.34651676e-13] [-3.88697351e-05 -4.30425764e-04 -8.56082591e-14] [ 3.88697344e-05 4.30425766e-04 -1.72479635e-13] [ 9.06492763e-14 2.17582974e-13 2.28501079e-05] [-3.67669003e-13 2.50965767e-13 -2.28501085e-05] [-1.91722129e-04 -1.06980237e-05 1.37833293e-04] [ 1.91722130e-04 1.06980250e-05 1.37833292e-04] [ 1.14306913e-04 6.72599521e-05 4.44177301e-04] [-1.14306913e-04 -6.72599531e-05 4.44177301e-04] [-1.91722129e-04 -1.06980246e-05 -1.37833293e-04] [ 1.91722130e-04 1.06980259e-05 -1.37833291e-04] [-1.14306912e-04 -6.72599531e-05 -4.44177300e-04] [ 1.14306913e-04 6.72599525e-05 -4.44177302e-04] [-1.91722130e-04 -1.06980255e-05 1.37833292e-04] [ 1.91722131e-04 1.06980245e-05 1.37833292e-04] [ 1.14306912e-04 6.72599530e-05 4.44177300e-04] [-1.14306913e-04 -6.72599520e-05 4.44177302e-04] [-1.91722129e-04 -1.06980233e-05 -1.37833293e-04] [ 1.91722130e-04 1.06980243e-05 -1.37833293e-04] [-1.14306913e-04 -6.72599516e-05 -4.44177302e-04] [ 1.14306912e-04 6.72599528e-05 -4.44177302e-04] [ 1.00533470e-12 -3.07354142e-12 2.20976015e-12] [-3.27730117e-12 -1.22079653e-12 -5.08638915e-13] [ 4.02596924e-04 -5.43079397e-05 -1.06492876e-04] [-4.02596927e-04 5.43079368e-05 -1.06492878e-04] [ 4.02596926e-04 -5.43079400e-05 1.06492876e-04] [-4.02596926e-04 5.43079407e-05 1.06492875e-04] [-2.32808436e-04 4.01936634e-04 -2.32935415e-04] [-2.32808436e-04 4.01936635e-04 2.32935415e-04] [ 2.32808436e-04 -4.01936636e-04 -2.32935415e-04] [ 2.32808436e-04 -4.01936636e-04 2.32935416e-04] [ 2.17885094e-04 2.69850928e-04 3.50830476e-14] [ 4.30596594e-04 -3.78446981e-04 2.26034469e-15] [-4.30596596e-04 3.78446978e-04 3.93348548e-13] [-2.17885098e-04 -2.69850925e-04 1.20280522e-13] [ 4.02596927e-04 -5.43079428e-05 -1.06492873e-04] [-4.02596924e-04 5.43079426e-05 -1.06492873e-04] [ 4.02596926e-04 -5.43079427e-05 1.06492873e-04] [-4.02596923e-04 5.43079432e-05 1.06492872e-04] [-2.32808432e-04 4.01936634e-04 -2.32935419e-04] [-2.32808430e-04 4.01936636e-04 2.32935421e-04] [ 2.32808433e-04 -4.01936637e-04 -2.32935417e-04] [ 2.32808434e-04 -4.01936635e-04 2.32935418e-04] [ 2.17885092e-04 2.69850930e-04 1.17923413e-12] [ 4.30596599e-04 -3.78446974e-04 1.04048076e-12] [-4.30596598e-04 3.78446976e-04 -5.55537810e-13] [-2.17885094e-04 -2.69850930e-04 4.12652117e-13]] Final stress: [-4.05459580e-06 1.55751389e-05 -4.05852955e-06 6.71666356e-16 1.84541994e-16 2.32661045e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.92274555e-05 3.67638446e-05 -2.48797510e-13] [-1.92274571e-05 -3.67638445e-05 2.02310391e-13] [ 3.68564720e-05 -4.31886446e-04 4.40631906e-13] [-3.68564715e-05 4.31886447e-04 6.11455331e-14] [ 3.44108422e-14 5.40661266e-14 1.89076505e-05] [-2.33951747e-13 3.65707464e-13 -1.89076528e-05] [ 1.92274551e-05 3.67638437e-05 -1.70163268e-13] [-1.92274561e-05 -3.67638442e-05 -3.42908632e-13] [ 3.68564705e-05 -4.31886446e-04 4.31258164e-14] [-3.68564717e-05 4.31886447e-04 3.48231232e-13] [-1.82967357e-13 1.08566823e-13 1.89076521e-05] [-9.62706477e-14 -4.63287079e-13 -1.89076514e-05] [-1.14475987e-04 6.74354852e-05 -4.45874720e-04] [ 1.14475988e-04 -6.74354841e-05 -4.45874720e-04] [ 1.90885616e-04 -9.51306523e-06 -1.40197595e-04] [-1.90885615e-04 9.51306584e-06 -1.40197595e-04] [-1.14475988e-04 6.74354849e-05 4.45874720e-04] [ 1.14475988e-04 -6.74354840e-05 4.45874721e-04] [-1.90885615e-04 9.51306554e-06 1.40197596e-04] [ 1.90885615e-04 -9.51306377e-06 1.40197595e-04] [-1.14475988e-04 6.74354837e-05 -4.45874720e-04] [ 1.14475988e-04 -6.74354844e-05 -4.45874719e-04] [ 1.90885615e-04 -9.51306445e-06 -1.40197596e-04] [-1.90885615e-04 9.51306539e-06 -1.40197595e-04] [-1.14475988e-04 6.74354848e-05 4.45874720e-04] [ 1.14475987e-04 -6.74354848e-05 4.45874719e-04] [-1.90885616e-04 9.51306598e-06 1.40197593e-04] [ 1.90885615e-04 -9.51306508e-06 1.40197594e-04] [ 2.62342925e-12 -1.20736754e-12 2.29830044e-12] [-5.09646578e-13 -1.72499207e-12 -5.96538946e-13] [-3.99831857e-04 -5.18628178e-05 -1.06998080e-04] [ 3.99831854e-04 5.18628184e-05 -1.06998078e-04] [-3.99831855e-04 -5.18628209e-05 1.06998078e-04] [ 3.99831857e-04 5.18628238e-05 1.06998074e-04] [-2.32289168e-04 -3.99172744e-04 -2.32416237e-04] [-2.32289173e-04 -3.99172744e-04 2.32416233e-04] [ 2.32289168e-04 3.99172742e-04 -2.32416237e-04] [ 2.32289171e-04 3.99172743e-04 2.32416235e-04] [-4.32179754e-04 -3.77079262e-04 -2.82329715e-13] [-2.18458332e-04 2.73373761e-04 -7.44217188e-13] [ 2.18458332e-04 -2.73373762e-04 5.06849770e-13] [ 4.32179750e-04 3.77079265e-04 -2.28800139e-12] [-3.99831854e-04 -5.18628247e-05 -1.06998074e-04] [ 3.99831857e-04 5.18628234e-05 -1.06998074e-04] [-3.99831855e-04 -5.18628208e-05 1.06998077e-04] [ 3.99831856e-04 5.18628217e-05 1.06998076e-04] [-2.32289170e-04 -3.99172746e-04 -2.32416236e-04] [-2.32289165e-04 -3.99172746e-04 2.32416240e-04] [ 2.32289169e-04 3.99172742e-04 -2.32416236e-04] [ 2.32289168e-04 3.99172743e-04 2.32416236e-04] [-4.32179754e-04 -3.77079261e-04 2.22931959e-12] [-2.18458330e-04 2.73373763e-04 3.63552619e-12] [ 2.18458330e-04 -2.73373764e-04 9.37490418e-13] [ 4.32179756e-04 3.77079259e-04 2.37884495e-12]] Final stress: [-4.06889471e-06 1.55483911e-05 -4.07284888e-06 4.90449443e-16 -3.64096366e-16 -2.34540169e-06] Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.36347143e-04 -5.90074864e-14 9.56903827e-14] [ 9.36347143e-04 3.84414722e-14 9.35362898e-14] [-3.60089562e-14 -9.36347143e-04 -5.49703512e-14] [ 5.00433028e-14 9.36347143e-04 1.62092562e-14] [-1.38841629e-13 -1.19461732e-13 -1.19375232e-03] [ 1.14630527e-14 -2.53685961e-14 1.19375232e-03] [-9.36347143e-04 -1.91049433e-13 1.04491903e-14] [ 9.36347143e-04 -6.76685270e-14 -4.38810313e-14] [ 3.50466184e-14 -9.36347143e-04 -8.01257434e-15] [ 9.71705355e-14 9.36347143e-04 -7.24078025e-14] [-1.58497347e-13 -1.51115480e-14 -1.19375232e-03] [ 3.08819810e-14 -1.22144105e-13 1.19375232e-03] [-3.03862522e-04 -3.03862522e-04 2.16362346e-04] [ 3.03862522e-04 3.03862522e-04 2.16362347e-04] [ 3.03862522e-04 -3.03862522e-04 -2.16362347e-04] [-3.03862522e-04 3.03862522e-04 -2.16362346e-04] [-3.03862522e-04 -3.03862522e-04 -2.16362346e-04] [ 3.03862522e-04 3.03862522e-04 -2.16362347e-04] [-3.03862522e-04 3.03862522e-04 2.16362347e-04] [ 3.03862522e-04 -3.03862522e-04 2.16362346e-04] [-3.03862522e-04 -3.03862522e-04 2.16362346e-04] [ 3.03862522e-04 3.03862522e-04 2.16362347e-04] [ 3.03862522e-04 -3.03862522e-04 -2.16362346e-04] [-3.03862522e-04 3.03862522e-04 -2.16362346e-04] [-3.03862522e-04 -3.03862522e-04 -2.16362346e-04] [ 3.03862522e-04 3.03862522e-04 -2.16362346e-04] [-3.03862522e-04 3.03862522e-04 2.16362346e-04] [ 3.03862522e-04 -3.03862522e-04 2.16362347e-04] [ 1.30728761e-14 -1.87155846e-13 9.43689571e-14] [-1.41006998e-13 3.38442391e-13 -1.87294945e-13] [-8.65973959e-15 -2.48126777e-04 -1.38153583e-05] [ 5.63212671e-14 2.48126777e-04 -1.38153580e-05] [-7.44820872e-14 -2.48126777e-04 1.38153582e-05] [-5.75737374e-14 2.48126778e-04 1.38153575e-05] [-2.48126776e-04 3.57824881e-13 -1.38153593e-05] [-2.48126776e-04 7.04679370e-14 1.38153591e-05] [ 2.48126776e-04 3.60052266e-13 -1.38153595e-05] [ 2.48126776e-04 1.66377329e-13 1.38153592e-05] [-6.69998688e-04 -6.69998686e-04 -2.02282635e-13] [ 6.69998688e-04 -6.69998686e-04 -1.24752639e-13] [-6.69998688e-04 6.69998687e-04 6.97931296e-14] [ 6.69998688e-04 6.69998687e-04 -7.31654320e-14] [ 5.74006988e-14 -2.48126776e-04 -1.38153587e-05] [ 9.78674607e-14 2.48126776e-04 -1.38153592e-05] [ 1.67563446e-13 -2.48126776e-04 1.38153587e-05] [-6.27952551e-14 2.48126775e-04 1.38153597e-05] [-2.48126777e-04 -1.16881548e-13 -1.38153580e-05] [-2.48126777e-04 -1.79532387e-13 1.38153580e-05] [ 2.48126777e-04 -2.48885981e-13 -1.38153578e-05] [ 2.48126777e-04 -4.55104704e-14 1.38153579e-05] [-6.69998686e-04 -6.69998688e-04 3.48211173e-13] [ 6.69998686e-04 -6.69998688e-04 6.43633333e-14] [-6.69998687e-04 6.69998688e-04 -1.68869831e-13] [ 6.69998687e-04 6.69998687e-04 -1.05250010e-14]] Final stress: [-7.78528479e-06 -7.78528479e-06 3.65548031e-05 -9.14402717e-17 -2.44394908e-16 -4.82139614e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.83515001e-05 -1.18459496e-13 -1.64856843e-13] [-1.83515003e-05 -1.81438198e-13 -3.65762975e-13] [ 3.60206656e-13 1.86714213e-05 -3.63847335e-05] [ 6.38156195e-13 -1.86714199e-05 3.63847347e-05] [-1.02060287e-13 -3.64775351e-05 -4.32185395e-04] [-1.78440596e-13 3.64775354e-05 4.32185393e-04] [ 1.83514992e-05 2.84919224e-13 -8.57599897e-14] [-1.83515004e-05 -5.30994519e-14 -8.67365276e-13] [ 4.05342426e-13 1.86714212e-05 -3.63847340e-05] [ 1.45568453e-13 -1.86714201e-05 3.63847340e-05] [-6.20677988e-13 -3.64775358e-05 -4.32185395e-04] [-1.62094296e-13 3.64775358e-05 4.32185395e-04] [ 1.40611148e-04 -1.90801951e-04 -9.34808172e-06] [ 4.46213377e-04 1.14484616e-04 6.75074076e-05] [ 4.46213377e-04 -1.14484615e-04 -6.75074070e-05] [ 1.40611146e-04 1.90801952e-04 9.34808249e-06] [-4.46213376e-04 -1.14484615e-04 -6.75074080e-05] [-1.40611146e-04 1.90801952e-04 9.34808225e-06] [-4.46213375e-04 1.14484615e-04 6.75074088e-05] [-1.40611147e-04 -1.90801951e-04 -9.34808249e-06] [ 1.40611146e-04 -1.90801950e-04 -9.34808214e-06] [ 4.46213376e-04 1.14484617e-04 6.75074077e-05] [ 4.46213375e-04 -1.14484615e-04 -6.75074087e-05] [ 1.40611147e-04 1.90801952e-04 9.34808174e-06] [-4.46213377e-04 -1.14484616e-04 -6.75074085e-05] [-1.40611147e-04 1.90801952e-04 9.34808251e-06] [-4.46213377e-04 1.14484617e-04 6.75074076e-05] [-1.40611146e-04 -1.90801950e-04 -9.34808219e-06] [ 4.22800683e-13 -2.47149523e-12 1.59230962e-12] [-1.35073116e-12 -1.05382749e-12 -1.47891907e-12] [-8.78186412e-13 2.19161852e-04 2.73260911e-04] [-1.19661225e-14 4.31805293e-04 -3.77520342e-04] [-2.27488167e-13 -4.31805294e-04 3.77520342e-04] [ 1.60306490e-12 -2.19161852e-04 -2.73260913e-04] [-1.06459199e-04 3.99486257e-04 -5.21397769e-05] [-1.06459200e-04 -3.99486258e-04 5.21397768e-05] [ 1.06459197e-04 3.99486256e-04 -5.21397794e-05] [ 1.06459199e-04 -3.99486258e-04 5.21397784e-05] [-2.32297373e-04 -2.32170183e-04 3.98827294e-04] [ 2.32297372e-04 -2.32170185e-04 3.98827292e-04] [-2.32297373e-04 2.32170184e-04 -3.98827293e-04] [ 2.32297372e-04 2.32170184e-04 -3.98827293e-04] [-2.11664020e-13 2.19161852e-04 2.73260912e-04] [ 1.34763945e-12 4.31805294e-04 -3.77520342e-04] [ 1.05067734e-12 -4.31805293e-04 3.77520343e-04] [ 6.04073215e-13 -2.19161854e-04 -2.73260911e-04] [-1.06459200e-04 3.99486257e-04 -5.21397770e-05] [-1.06459198e-04 -3.99486257e-04 5.21397779e-05] [ 1.06459198e-04 3.99486258e-04 -5.21397775e-05] [ 1.06459199e-04 -3.99486258e-04 5.21397768e-05] [-2.32297373e-04 -2.32170185e-04 3.98827293e-04] [ 2.32297374e-04 -2.32170184e-04 3.98827294e-04] [-2.32297371e-04 2.32170186e-04 -3.98827291e-04] [ 2.32297374e-04 2.32170182e-04 -3.98827292e-04]] Final stress: [-4.07644096e-06 -4.07248352e-06 1.55470992e-05 2.34910204e-06 4.72161498e-16 5.78564089e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.22291757e-05 -3.63826590e-13 1.38240114e-13] [-2.22291750e-05 -5.64326363e-13 -4.56634730e-13] [ 2.91147315e-14 2.25485005e-05 4.01784345e-05] [ 4.53748150e-13 -2.25484990e-05 -4.01784349e-05] [ 1.18342836e-13 4.02681987e-05 -4.30657611e-04] [ 5.88334936e-13 -4.02681988e-05 4.30657611e-04] [ 2.22291769e-05 3.31835254e-14 7.34542192e-14] [-2.22291758e-05 3.46895689e-13 4.51636320e-14] [-1.93660192e-13 2.25485009e-05 4.01784342e-05] [-8.81946426e-14 -2.25484998e-05 -4.01784352e-05] [-1.78682590e-13 4.02681987e-05 -4.30657611e-04] [-3.07007891e-13 -4.02681986e-05 4.30657612e-04] [-4.43523398e-04 -1.14927400e-04 6.67342281e-05] [-1.37221309e-04 1.91060454e-04 -9.94353655e-06] [-1.37221309e-04 -1.91060455e-04 9.94353713e-06] [-4.43523398e-04 1.14927400e-04 -6.67342285e-05] [ 1.37221310e-04 -1.91060456e-04 9.94353686e-06] [ 4.43523399e-04 1.14927401e-04 -6.67342279e-05] [ 1.37221310e-04 1.91060455e-04 -9.94353614e-06] [ 4.43523398e-04 -1.14927400e-04 6.67342284e-05] [-4.43523399e-04 -1.14927400e-04 6.67342293e-05] [-1.37221309e-04 1.91060455e-04 -9.94353653e-06] [-1.37221309e-04 -1.91060455e-04 9.94353582e-06] [-4.43523399e-04 1.14927401e-04 -6.67342282e-05] [ 1.37221309e-04 -1.91060456e-04 9.94353612e-06] [ 4.43523398e-04 1.14927400e-04 -6.67342280e-05] [ 1.37221309e-04 1.91060455e-04 -9.94353608e-06] [ 4.43523398e-04 -1.14927399e-04 6.67342293e-05] [ 5.47256684e-13 -1.71834769e-12 -7.19174720e-13] [-8.24691877e-13 -5.78165656e-13 -1.64713967e-12] [-8.00026712e-13 -4.29778615e-04 -3.80211659e-04] [-6.07239953e-13 -2.19590807e-04 2.68971645e-04] [-1.40970915e-12 2.19590805e-04 -2.68971647e-04] [-2.10824413e-13 4.29778615e-04 3.80211656e-04] [-1.05231101e-04 -4.01608613e-04 -5.56296730e-05] [-1.05231103e-04 4.01608613e-04 5.56296715e-05] [ 1.05231098e-04 -4.01608613e-04 -5.56296760e-05] [ 1.05231102e-04 4.01608612e-04 5.56296725e-05] [-2.32960779e-04 -2.32833480e-04 -4.00947814e-04] [ 2.32960778e-04 -2.32833482e-04 -4.00947814e-04] [-2.32960777e-04 2.32833482e-04 4.00947812e-04] [ 2.32960778e-04 2.32833482e-04 4.00947813e-04] [-3.55076645e-13 -4.29778618e-04 -3.80211653e-04] [-3.62493022e-13 -2.19590801e-04 2.68971651e-04] [-7.50562806e-14 2.19590803e-04 -2.68971650e-04] [ 1.68925074e-12 4.29778615e-04 3.80211656e-04] [-1.05231099e-04 -4.01608614e-04 -5.56296759e-05] [-1.05231097e-04 4.01608614e-04 5.56296770e-05] [ 1.05231099e-04 -4.01608614e-04 -5.56296751e-05] [ 1.05231097e-04 4.01608612e-04 5.56296758e-05] [-2.32960783e-04 -2.32833479e-04 -4.00947811e-04] [ 2.32960783e-04 -2.32833478e-04 -4.00947812e-04] [-2.32960780e-04 2.32833481e-04 4.00947814e-04] [ 2.32960783e-04 2.32833477e-04 4.00947814e-04]] Final stress: [-4.05938394e-06 -4.05545339e-06 1.55796226e-05 -2.31140924e-06 4.42235769e-16 -8.49558188e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.79960129e-05 5.88153658e-14 -3.61696303e-05] [-1.79960125e-05 1.68726144e-13 3.61696304e-05] [ 2.36744652e-13 1.76760329e-05 5.06491984e-13] [ 8.30169267e-14 -1.76760311e-05 -1.26454403e-13] [-3.62624055e-05 -2.55674822e-13 -4.32442598e-04] [ 3.62624059e-05 -2.35561570e-13 4.32442597e-04] [ 1.79960138e-05 1.29258149e-13 -3.61696309e-05] [-1.79960128e-05 3.71273325e-13 3.61696305e-05] [-3.14273781e-13 1.76760323e-05 -1.64845916e-13] [ 2.52011953e-13 -1.76760314e-05 -5.24007156e-14] [-3.62624058e-05 -2.63839887e-13 -4.32442598e-04] [ 3.62624057e-05 1.98906194e-13 4.32442596e-04] [-1.90613360e-04 1.40939746e-04 -9.09440335e-06] [ 1.14559566e-04 4.46428348e-04 6.74970503e-05] [ 1.90613360e-04 1.40939746e-04 9.09440287e-06] [-1.14559565e-04 4.46428348e-04 -6.74970505e-05] [-1.14559566e-04 -4.46428347e-04 -6.74970514e-05] [ 1.90613359e-04 -1.40939746e-04 9.09440273e-06] [-1.90613360e-04 -1.40939746e-04 -9.09440255e-06] [ 1.14559565e-04 -4.46428348e-04 6.74970506e-05] [-1.90613359e-04 1.40939747e-04 -9.09440201e-06] [ 1.14559565e-04 4.46428348e-04 6.74970507e-05] [ 1.90613360e-04 1.40939747e-04 9.09440173e-06] [-1.14559565e-04 4.46428348e-04 -6.74970510e-05] [-1.14559566e-04 -4.46428349e-04 -6.74970512e-05] [ 1.90613360e-04 -1.40939746e-04 9.09440260e-06] [-1.90613362e-04 -1.40939746e-04 -9.09440252e-06] [ 1.14559565e-04 -4.46428349e-04 6.74970509e-05] [ 9.79494263e-14 -1.90941707e-12 6.62803146e-13] [-4.52584151e-13 -9.38302946e-13 2.02597189e-12] [ 3.98958443e-04 -1.06288299e-04 -5.20082307e-05] [ 3.98958442e-04 1.06288297e-04 -5.20082320e-05] [-3.98958443e-04 -1.06288297e-04 5.20082332e-05] [-3.98958442e-04 1.06288299e-04 5.20082308e-05] [ 2.19533254e-04 2.44471110e-13 2.73592725e-04] [-4.31834859e-04 3.17974813e-14 3.77589011e-04] [ 4.31834858e-04 -1.32920064e-12 -3.77589012e-04] [-2.19533254e-04 -1.65069347e-13 -2.73592725e-04] [-2.32074169e-04 -2.32201362e-04 3.98299676e-04] [ 2.32074172e-04 -2.32201359e-04 -3.98299674e-04] [-2.32074167e-04 2.32201363e-04 3.98299674e-04] [ 2.32074170e-04 2.32201360e-04 -3.98299674e-04] [ 3.98958441e-04 -1.06288302e-04 -5.20082273e-05] [ 3.98958442e-04 1.06288301e-04 -5.20082284e-05] [-3.98958443e-04 -1.06288301e-04 5.20082286e-05] [-3.98958444e-04 1.06288301e-04 5.20082276e-05] [ 2.19533257e-04 -2.06947892e-12 2.73592722e-04] [-4.31834856e-04 3.58206954e-13 3.77589013e-04] [ 4.31834852e-04 -1.20361837e-12 -3.77589017e-04] [-2.19533258e-04 -8.31086068e-13 -2.73592722e-04] [-2.32074174e-04 -2.32201357e-04 3.98299675e-04] [ 2.32074175e-04 -2.32201357e-04 -3.98299673e-04] [-2.32074173e-04 2.32201359e-04 3.98299675e-04] [ 2.32074174e-04 2.32201357e-04 -3.98299675e-04]] Final stress: [-4.07511206e-06 -4.07907246e-06 1.55433624e-05 4.25610364e-16 2.35094998e-06 -7.49805759e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.05894931e-05 -2.51903966e-13 3.63917368e-05] [-2.05894951e-05 2.01977324e-13 -3.63917362e-05] [ 1.81841955e-13 2.02697780e-05 3.58248587e-13] [ 6.49480469e-14 -2.02697777e-05 -3.39034356e-13] [ 3.64854640e-05 3.57973200e-14 -4.31302846e-04] [-3.64854647e-05 2.66370259e-13 4.31302845e-04] [ 2.05894950e-05 2.97569261e-13 3.63917366e-05] [-2.05894927e-05 5.92989199e-14 -3.63917369e-05] [-4.06839926e-13 2.02697784e-05 -3.03768727e-14] [ 1.19312980e-13 -2.02697771e-05 2.09158256e-13] [ 3.64854643e-05 -9.68379577e-15 -4.31302844e-04] [-3.64854646e-05 3.20372094e-13 4.31302847e-04] [-1.14034159e-04 -4.45848436e-04 6.77043704e-05] [ 1.91515577e-04 -1.39982814e-04 -1.03158284e-05] [ 1.14034159e-04 -4.45848439e-04 -6.77043698e-05] [-1.91515578e-04 -1.39982813e-04 1.03158281e-05] [-1.91515577e-04 1.39982813e-04 1.03158281e-05] [ 1.14034160e-04 4.45848438e-04 -6.77043691e-05] [-1.14034159e-04 4.45848437e-04 6.77043702e-05] [ 1.91515577e-04 1.39982813e-04 -1.03158291e-05] [-1.14034160e-04 -4.45848438e-04 6.77043686e-05] [ 1.91515578e-04 -1.39982813e-04 -1.03158280e-05] [ 1.14034159e-04 -4.45848438e-04 -6.77043698e-05] [-1.91515578e-04 -1.39982812e-04 1.03158286e-05] [-1.91515577e-04 1.39982813e-04 1.03158288e-05] [ 1.14034159e-04 4.45848437e-04 -6.77043701e-05] [-1.14034160e-04 4.45848438e-04 6.77043679e-05] [ 1.91515577e-04 1.39982813e-04 -1.03158283e-05] [ 2.26826891e-12 -1.88654647e-13 8.10768119e-13] [-1.71042781e-12 -9.24751693e-13 -1.78079095e-12] [-4.01157346e-04 -1.08529554e-04 -5.07478332e-05] [-4.01157345e-04 1.08529551e-04 -5.07478356e-05] [ 4.01157344e-04 -1.08529554e-04 5.07478336e-05] [ 4.01157344e-04 1.08529557e-04 5.07478308e-05] [-4.33165256e-04 6.82343071e-13 -3.75419402e-04] [ 2.16380749e-04 -7.78386036e-13 -2.73944036e-04] [-2.16380752e-04 -1.14174642e-12 2.73944032e-04] [ 4.33165257e-04 -8.55463270e-13 3.75419402e-04] [-2.32469783e-04 -2.32596715e-04 -4.00498143e-04] [ 2.32469784e-04 -2.32596714e-04 4.00498139e-04] [-2.32469784e-04 2.32596714e-04 -4.00498141e-04] [ 2.32469784e-04 2.32596714e-04 4.00498138e-04] [-4.01157344e-04 -1.08529556e-04 -5.07478321e-05] [-4.01157345e-04 1.08529558e-04 -5.07478305e-05] [ 4.01157346e-04 -1.08529554e-04 5.07478337e-05] [ 4.01157345e-04 1.08529554e-04 5.07478331e-05] [-4.33165257e-04 -1.33199311e-12 -3.75419402e-04] [ 2.16380753e-04 5.92368385e-13 -2.73944032e-04] [-2.16380751e-04 -2.05253783e-12 2.73944034e-04] [ 4.33165254e-04 1.65638727e-12 3.75419406e-04] [-2.32469785e-04 -2.32596713e-04 -4.00498138e-04] [ 2.32469786e-04 -2.32596712e-04 4.00498142e-04] [-2.32469784e-04 2.32596713e-04 -4.00498139e-04] [ 2.32469786e-04 2.32596712e-04 4.00498140e-04]] Final stress: [-4.06307365e-06 -4.06702478e-06 1.55498178e-05 -5.85214251e-16 -2.35016707e-06 -9.90874129e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.20228850e-04 7.82577128e-15 9.83553516e-14] [ 5.20228850e-04 -3.26128013e-14 7.21922522e-14] [-6.15523257e-15 -2.69381402e-04 5.49330546e-14] [ 1.24372734e-13 2.69381402e-04 -4.08284517e-14] [ 2.96559652e-14 -6.50065939e-14 -2.69381402e-04] [ 4.94326802e-14 -3.08919557e-14 2.69381401e-04] [-5.20228850e-04 -2.75088112e-14 -4.89327590e-14] [ 5.20228850e-04 1.56766961e-14 -2.27637355e-14] [-2.09996950e-14 -2.69381402e-04 -4.66260550e-14] [-1.84843460e-14 2.69381402e-04 -5.01186701e-14] [-1.99926881e-16 -2.95436190e-14 -2.69381402e-04] [-3.22493768e-14 -2.53595111e-14 2.69381402e-04] [ 7.02425951e-05 -1.55431596e-04 -1.55431596e-04] [-7.02425952e-05 1.55431596e-04 -1.55431596e-04] [-7.02425950e-05 -1.55431596e-04 1.55431596e-04] [ 7.02425949e-05 1.55431596e-04 1.55431596e-04] [ 7.02425949e-05 -1.55431596e-04 1.55431596e-04] [-7.02425951e-05 1.55431597e-04 1.55431596e-04] [ 7.02425951e-05 1.55431596e-04 -1.55431596e-04] [-7.02425951e-05 -1.55431596e-04 -1.55431596e-04] [ 7.02425948e-05 -1.55431597e-04 -1.55431597e-04] [-7.02425948e-05 1.55431596e-04 -1.55431596e-04] [-7.02425952e-05 -1.55431596e-04 1.55431596e-04] [ 7.02425951e-05 1.55431596e-04 1.55431596e-04] [ 7.02425951e-05 -1.55431596e-04 1.55431596e-04] [-7.02425952e-05 1.55431596e-04 1.55431596e-04] [ 7.02425948e-05 1.55431597e-04 -1.55431597e-04] [-7.02425948e-05 -1.55431596e-04 -1.55431596e-04] [ 3.90354415e-13 -5.67046410e-14 9.18348730e-13] [-4.10387870e-14 -3.80131699e-14 -5.84008024e-13] [ 1.13464793e-13 -3.14345428e-04 -3.14345431e-04] [ 6.33972042e-14 3.14345429e-04 -3.14345430e-04] [ 2.44197024e-13 -3.14345429e-04 3.14345430e-04] [ 6.72378819e-15 3.14345429e-04 3.14345430e-04] [-1.50331665e-04 -1.19904087e-13 -4.34109225e-05] [-1.50331665e-04 -1.34276271e-13 4.34109224e-05] [ 1.50331665e-04 1.46573725e-13 -4.34109232e-05] [ 1.50331665e-04 -8.75514938e-15 4.34109226e-05] [-1.50331664e-04 -4.34109235e-05 -2.75668377e-13] [ 1.50331664e-04 -4.34109236e-05 -1.97607555e-13] [-1.50331664e-04 4.34109238e-05 -7.03794661e-14] [ 1.50331664e-04 4.34109234e-05 -1.26914104e-13] [ 2.58066138e-14 -3.14345430e-04 -3.14345429e-04] [ 4.74138957e-14 3.14345430e-04 -3.14345429e-04] [ 7.94924022e-14 -3.14345430e-04 3.14345429e-04] [ 4.52787113e-13 3.14345430e-04 3.14345429e-04] [-1.50331664e-04 4.47139220e-14 -4.34109233e-05] [-1.50331664e-04 -1.31809928e-13 4.34109238e-05] [ 1.50331664e-04 -2.12903913e-13 -4.34109237e-05] [ 1.50331664e-04 -1.04256447e-13 4.34109239e-05] [-1.50331665e-04 -4.34109227e-05 5.62135479e-13] [ 1.50331665e-04 -4.34109224e-05 1.88944018e-13] [-1.50331665e-04 4.34109223e-05 3.66517773e-13] [ 1.50331665e-04 4.34109221e-05 2.20668536e-13]] Final stress: [ 1.76436472e-05 -3.99736803e-06 -3.99736803e-06 6.81642614e-17 4.65512029e-17 -1.86204812e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.21279150e-04 -5.13274319e-14 9.16831715e-14] [ 2.21279150e-04 -6.00908212e-14 5.77593529e-14] [ 1.55127647e-15 -4.87409617e-04 -6.08931308e-15] [ 8.02136135e-14 4.87409617e-04 8.04634137e-14] [ 2.80461418e-14 -5.43133247e-14 -2.21279150e-04] [ 8.66806626e-14 -4.96547248e-14 2.21279149e-04] [-2.21279150e-04 -2.40840334e-14 -5.76327468e-14] [ 2.21279150e-04 -1.97845212e-15 -4.24209430e-14] [-5.61261107e-14 -4.87409616e-04 -3.91104730e-14] [ 6.96144531e-15 4.87409617e-04 -3.74619667e-14] [-8.70969963e-14 -5.87756525e-14 -2.21279150e-04] [-9.86615303e-14 -3.65016795e-14 2.21279150e-04] [-1.60486322e-04 5.84448909e-05 -1.60486322e-04] [ 1.60486322e-04 -5.84448908e-05 -1.60486322e-04] [ 1.60486322e-04 5.84448908e-05 1.60486322e-04] [-1.60486322e-04 -5.84448907e-05 1.60486322e-04] [-1.60486322e-04 5.84448907e-05 1.60486322e-04] [ 1.60486322e-04 -5.84448908e-05 1.60486322e-04] [-1.60486322e-04 -5.84448908e-05 -1.60486322e-04] [ 1.60486322e-04 5.84448909e-05 -1.60486322e-04] [-1.60486322e-04 5.84448908e-05 -1.60486322e-04] [ 1.60486322e-04 -5.84448908e-05 -1.60486322e-04] [ 1.60486322e-04 5.84448909e-05 1.60486322e-04] [-1.60486322e-04 -5.84448908e-05 1.60486322e-04] [-1.60486322e-04 5.84448910e-05 1.60486322e-04] [ 1.60486322e-04 -5.84448909e-05 1.60486322e-04] [-1.60486322e-04 -5.84448907e-05 -1.60486322e-04] [ 1.60486322e-04 5.84448908e-05 -1.60486322e-04] [ 2.26652030e-13 -5.56221735e-14 5.26911847e-13] [-1.95896251e-13 -1.45647041e-13 -2.41256028e-13] [-1.97508676e-13 -2.09490378e-04 -3.47570757e-05] [-1.33174721e-14 2.09490377e-04 -3.47570757e-05] [-1.53491803e-13 -2.09490378e-04 3.47570753e-05] [-1.23002303e-13 2.09490378e-04 3.47570751e-05] [-3.36700672e-04 -1.43218770e-13 -3.36700673e-04] [-3.36700672e-04 -1.07648265e-13 3.36700672e-04] [ 3.36700671e-04 -1.35905176e-13 -3.36700673e-04] [ 3.36700672e-04 -1.02719916e-13 3.36700672e-04] [-3.47570763e-05 -2.09490377e-04 -2.90656388e-13] [ 3.47570761e-05 -2.09490377e-04 -2.07729667e-13] [-3.47570764e-05 2.09490377e-04 -2.42661793e-13] [ 3.47570762e-05 2.09490377e-04 -2.33186734e-13] [ 2.57203113e-14 -2.09490377e-04 -3.47570760e-05] [ 6.05670028e-14 2.09490377e-04 -3.47570758e-05] [ 1.48976751e-13 -2.09490377e-04 3.47570764e-05] [ 2.52708878e-13 2.09490377e-04 3.47570761e-05] [-3.36700673e-04 7.68065050e-14 -3.36700672e-04] [-3.36700672e-04 1.20257537e-14 3.36700672e-04] [ 3.36700673e-04 -8.04217803e-14 -3.36700671e-04] [ 3.36700672e-04 -6.32458495e-14 3.36700672e-04] [-3.47570752e-05 -2.09490378e-04 4.80407077e-13] [ 3.47570753e-05 -2.09490378e-04 3.38306250e-13] [-3.47570752e-05 2.09490378e-04 4.62479471e-13] [ 3.47570752e-05 2.09490378e-04 3.01966785e-13]] Final stress: [-3.44413222e-06 1.82342292e-05 -3.44413222e-06 -9.97525777e-17 4.15635741e-17 -3.15883163e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.72206679e-04 -6.31001328e-14 5.66911969e-14] [ 2.72206679e-04 5.83422199e-14 -5.55944180e-14] [ 1.42068215e-13 -2.72206679e-04 4.21104124e-14] [ 6.18949336e-15 2.72206679e-04 2.81441537e-14] [-7.14510916e-14 -9.25657120e-14 -5.32687433e-04] [-2.13440376e-14 -1.62092562e-14 5.32687432e-04] [-2.72206679e-04 1.45826060e-13 -1.63304436e-14] [ 2.72206679e-04 1.94631637e-14 8.62514632e-14] [-1.83729768e-13 -2.72206679e-04 -1.99414352e-14] [ 3.62132199e-14 2.72206679e-04 -5.12860431e-14] [-3.19440654e-14 -4.95036627e-14 -5.32687433e-04] [-1.49505408e-13 -2.59483700e-14 5.32687433e-04] [-1.54042727e-04 -1.54042727e-04 7.31504215e-05] [ 1.54042727e-04 1.54042727e-04 7.31504217e-05] [ 1.54042727e-04 -1.54042727e-04 -7.31504216e-05] [-1.54042727e-04 1.54042727e-04 -7.31504220e-05] [-1.54042727e-04 -1.54042727e-04 -7.31504217e-05] [ 1.54042727e-04 1.54042727e-04 -7.31504217e-05] [-1.54042727e-04 1.54042727e-04 7.31504218e-05] [ 1.54042727e-04 -1.54042727e-04 7.31504215e-05] [-1.54042727e-04 -1.54042727e-04 7.31504216e-05] [ 1.54042727e-04 1.54042727e-04 7.31504216e-05] [ 1.54042727e-04 -1.54042727e-04 -7.31504218e-05] [-1.54042727e-04 1.54042727e-04 -7.31504216e-05] [-1.54042727e-04 -1.54042727e-04 -7.31504217e-05] [ 1.54042727e-04 1.54042727e-04 -7.31504217e-05] [-1.54042727e-04 1.54042727e-04 7.31504216e-05] [ 1.54042727e-04 -1.54042727e-04 7.31504216e-05] [ 5.68517455e-13 -1.47548640e-13 4.01151334e-13] [-1.00476051e-13 4.69933010e-13 1.75864339e-13] [-3.06754622e-13 -6.45175787e-05 -1.02938109e-04] [ 5.12433845e-13 6.45175785e-05 -1.02938109e-04] [-2.52846355e-13 -6.45175780e-05 1.02938110e-04] [ 2.52135118e-13 6.45175788e-05 1.02938109e-04] [-6.45175811e-05 3.23963079e-13 -1.02938106e-04] [-6.45175805e-05 5.47744142e-13 1.02938107e-04] [ 6.45175805e-05 6.73593126e-15 -1.02938107e-04] [ 6.45175803e-05 -2.58959520e-14 1.02938108e-04] [-3.00639152e-04 -3.00639153e-04 1.06470388e-13] [ 3.00639152e-04 -3.00639153e-04 4.79801962e-13] [-3.00639151e-04 3.00639154e-04 2.59929231e-13] [ 3.00639151e-04 3.00639154e-04 3.40534892e-13] [ 2.78648632e-13 -6.45175806e-05 -1.02938107e-04] [-1.78130080e-13 6.45175795e-05 -1.02938108e-04] [ 4.88678542e-13 -6.45175809e-05 1.02938106e-04] [ 2.81494879e-13 6.45175804e-05 1.02938107e-04] [-6.45175784e-05 -7.88306663e-13 -1.02938109e-04] [-6.45175788e-05 -5.48745077e-13 1.02938109e-04] [ 6.45175785e-05 -4.94952603e-13 -1.02938109e-04] [ 6.45175787e-05 5.11734752e-14 1.02938109e-04] [-3.00639153e-04 -3.00639152e-04 2.40949843e-13] [ 3.00639153e-04 -3.00639152e-04 -7.90287737e-14] [-3.00639153e-04 3.00639152e-04 -1.72858079e-13] [ 3.00639154e-04 3.00639151e-04 -2.58813370e-13]] Final stress: [-4.30657557e-06 -4.30657557e-06 1.73100869e-05 3.15883163e-17 6.81642614e-17 -1.84542269e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.13413 0.36876 0.36872 -0.00014 -0.00001 0.00006] [ 0.36876 0.13392 0.36867 0.00007 0.00003 0.00007] [ 0.36872 0.36867 0.13421 0.00008 -0.00022 -0.00001] [-0.00014 0.00007 0.00008 0.23238 -0. 0. ] [-0.00001 0.00003 -0.00022 -0. 0.23239 0. ] [ 0.00006 0.00007 -0.00001 0. 0. 0.23238]] 95%% Error estimate [ASE units]: [[690.5627 0.00569 0.00577 0.0002 0.00024 0.0002 ] [ 0.00569 761.42777 0.00587 0.00017 0.00016 0.00043] [ 0.00577 0.00587 883.17182 0.0001 0.0004 0.00078] [ 0.0002 0.00017 0.0001 0.00066 0. 0. ] [ 0.00024 0.00016 0.0004 0. 0.00066 0.00001] [ 0.0002 0.00043 0.00078 0. 0.00001 0.00069]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 441.585912 is too big compared to maximum elastic constant component 0.368758 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000219 Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.09383800e-01 -1.02925481e-14 6.93287441e-13] [-1.09383800e-01 -3.50913743e-13 -3.72923914e-13] [-2.78943535e-13 3.39639276e-02 -9.25080325e-14] [ 9.16766663e-14 -3.39639276e-02 -1.02001740e-13] [-2.92293967e-13 -1.47169169e-13 3.39639276e-02] [ 1.87905247e-13 -5.67879077e-14 -3.39639276e-02] [ 1.09383800e-01 -1.03723453e-13 -2.14220709e-13] [-1.09383800e-01 1.94646382e-13 1.17510008e-13] [ 3.40530121e-13 3.39639276e-02 1.94967097e-13] [ 1.52107927e-13 -3.39639276e-02 1.64773026e-13] [ 3.66174105e-14 -1.29238981e-13 3.39639276e-02] [-8.94050459e-14 1.24624454e-13 -3.39639276e-02] [ 9.83378750e-03 2.02043611e-02 2.02043611e-02] [-9.83378750e-03 -2.02043611e-02 2.02043611e-02] [-9.83378750e-03 2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 -2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 2.02043611e-02 -2.02043611e-02] [-9.83378750e-03 -2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 -2.02043611e-02 2.02043611e-02] [-9.83378750e-03 2.02043611e-02 2.02043611e-02] [ 9.83378750e-03 2.02043611e-02 2.02043611e-02] [-9.83378750e-03 -2.02043611e-02 2.02043611e-02] [-9.83378750e-03 2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 -2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 2.02043611e-02 -2.02043611e-02] [-9.83378750e-03 -2.02043611e-02 -2.02043611e-02] [ 9.83378750e-03 -2.02043611e-02 2.02043611e-02] [-9.83378750e-03 2.02043611e-02 2.02043611e-02] [-6.27276009e-14 -3.26211280e-13 1.53022039e-12] [-3.19558182e-13 6.24685838e-13 1.97971720e-13] [ 6.58695321e-13 5.34877801e-02 5.34877801e-02] [-5.03642267e-13 -5.34877801e-02 5.34877801e-02] [ 2.48356891e-13 5.34877801e-02 -5.34877801e-02] [-1.19027433e-12 -5.34877801e-02 -5.34877801e-02] [ 4.26606097e-02 -1.27842181e-12 3.59288591e-02] [ 4.26606097e-02 -1.19132482e-12 -3.59288591e-02] [-4.26606097e-02 -7.64978358e-14 3.59288591e-02] [-4.26606097e-02 -2.30374747e-13 -3.59288591e-02] [ 4.26606097e-02 3.59288591e-02 -1.57429625e-13] [-4.26606097e-02 3.59288591e-02 -3.66741360e-13] [ 4.26606097e-02 -3.59288591e-02 -5.69913908e-13] [-4.26606097e-02 -3.59288591e-02 -3.16694587e-13] [-1.45374207e-12 5.34877801e-02 5.34877801e-02] [-7.01561205e-14 -5.34877801e-02 5.34877801e-02] [ 6.87274890e-13 5.34877801e-02 -5.34877801e-02] [ 1.38917697e-12 -5.34877801e-02 -5.34877801e-02] [ 4.26606097e-02 1.13575307e-12 3.59288591e-02] [ 4.26606097e-02 8.34872319e-13 -3.59288591e-02] [-4.26606097e-02 -9.50910357e-14 3.59288591e-02] [-4.26606097e-02 9.06831034e-14 -3.59288591e-02] [ 4.26606097e-02 3.59288591e-02 1.52138246e-12] [-4.26606097e-02 3.59288591e-02 2.41135279e-14] [ 4.26606097e-02 -3.59288591e-02 1.57382301e-12] [-4.26606097e-02 -3.59288591e-02 3.65148450e-13]] Final stress: [-1.99475088e-03 9.31617796e-04 9.31617796e-04 -3.06954248e-16 7.46645468e-17 -1.24440911e-16] Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.52652548e-02 7.23397037e-14 -6.86599215e-14] [-2.52652548e-02 5.33184608e-14 -5.21249710e-14] [ 4.83814377e-14 2.52652548e-02 -5.72588851e-15] [-1.62370117e-14 -2.52652548e-02 7.04991621e-14] [-9.56565556e-14 -1.17935176e-14 1.84197357e-02] [-1.33865141e-13 -8.71525074e-14 -1.84197357e-02] [ 2.52652548e-02 6.35160327e-14 -1.21014698e-14] [-2.52652548e-02 1.90993055e-14 -2.32754698e-14] [-1.77722420e-15 2.52652548e-02 -1.71502186e-14] [ 8.46076681e-14 -2.52652548e-02 -4.62260965e-14] [-6.89795443e-14 -3.12659817e-14 1.84197357e-02] [-3.58992350e-14 -2.06263602e-14 -1.84197357e-02] [-1.12101319e-03 -1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 -1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 -1.12101319e-03 -5.48083582e-03] [ 1.12101319e-03 1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 -1.12101319e-03 5.48083582e-03] [-1.12101319e-03 -1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 -1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 -1.12101319e-03 -5.48083582e-03] [ 1.12101319e-03 1.12101319e-03 -5.48083582e-03] [-1.12101319e-03 1.12101319e-03 5.48083582e-03] [ 1.12101319e-03 -1.12101319e-03 5.48083582e-03] [-2.80053758e-13 -4.53886928e-13 3.56076280e-13] [-5.17858326e-14 -2.86306764e-13 -1.77049627e-13] [ 2.48912002e-13 -8.08387947e-03 6.54145725e-03] [ 2.14744889e-13 8.08387947e-03 6.54145725e-03] [ 1.34021266e-13 -8.08387947e-03 -6.54145725e-03] [ 1.55948171e-13 8.08387947e-03 -6.54145725e-03] [-8.08387947e-03 -5.35127498e-14 6.54145725e-03] [-8.08387947e-03 7.27022609e-15 -6.54145725e-03] [ 8.08387947e-03 -6.20614671e-14 6.54145725e-03] [ 8.08387947e-03 1.24783864e-13 -6.54145725e-03] [-4.57325963e-03 -4.57325963e-03 2.84217094e-13] [ 4.57325963e-03 -4.57325963e-03 5.42899059e-14] [-4.57325963e-03 4.57325963e-03 1.18776516e-13] [ 4.57325963e-03 4.57325963e-03 1.20724611e-13] [-7.71704749e-14 -8.08387947e-03 6.54145725e-03] [ 1.96892849e-13 8.08387947e-03 6.54145725e-03] [-1.63066175e-13 -8.08387947e-03 -6.54145725e-03] [-1.38297360e-13 8.08387947e-03 -6.54145725e-03] [-8.08387947e-03 -8.60688910e-14 6.54145725e-03] [-8.08387947e-03 -2.95256441e-14 -6.54145725e-03] [ 8.08387947e-03 3.40118558e-14 6.54145725e-03] [ 8.08387947e-03 -5.75637628e-14 -6.54145725e-03] [-4.57325963e-03 -4.57325963e-03 2.00337154e-13] [ 4.57325963e-03 -4.57325963e-03 3.61150890e-13] [-4.57325963e-03 4.57325963e-03 2.98516671e-13] [ 4.57325963e-03 4.57325963e-03 3.24697734e-13]] Final stress: [ 3.02719369e-04 3.02719369e-04 1.04404207e-03 6.63684198e-18 4.81171044e-17 -1.21122366e-16] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.46426691e-02 8.71464359e-14 1.24696260e-14] [ 1.46426691e-02 1.16795462e-13 5.95357097e-14] [ 1.07061929e-13 -1.46426691e-02 2.72958739e-15] [ 1.14463994e-13 1.46426691e-02 -5.55111512e-17] [ 1.32825174e-13 -2.24160968e-14 2.79009033e-04] [ 2.82829316e-14 -2.29150032e-13 -2.79009034e-04] [-1.46426691e-02 1.63974303e-13 -5.34227405e-14] [ 1.46426691e-02 8.75449886e-14 8.18861836e-15] [ 2.50533101e-14 -1.46426691e-02 8.31467159e-14] [-2.51088213e-14 1.46426691e-02 -2.89916382e-14] [-1.44025417e-15 -4.38688694e-14 2.79009033e-04] [-4.80730906e-14 -2.05662033e-14 -2.79009033e-04] [-9.30787589e-04 -9.30787588e-04 -7.45603621e-03] [ 9.30787589e-04 9.30787589e-04 -7.45603621e-03] [ 9.30787589e-04 -9.30787589e-04 7.45603621e-03] [-9.30787588e-04 9.30787589e-04 7.45603621e-03] [-9.30787589e-04 -9.30787589e-04 7.45603621e-03] [ 9.30787588e-04 9.30787589e-04 7.45603621e-03] [-9.30787588e-04 9.30787589e-04 -7.45603621e-03] [ 9.30787589e-04 -9.30787589e-04 -7.45603621e-03] [-9.30787589e-04 -9.30787588e-04 -7.45603621e-03] [ 9.30787589e-04 9.30787589e-04 -7.45603621e-03] [ 9.30787589e-04 -9.30787589e-04 7.45603621e-03] [-9.30787589e-04 9.30787589e-04 7.45603621e-03] [-9.30787589e-04 -9.30787589e-04 7.45603621e-03] [ 9.30787589e-04 9.30787589e-04 7.45603621e-03] [-9.30787589e-04 9.30787589e-04 -7.45603621e-03] [ 9.30787589e-04 -9.30787589e-04 -7.45603621e-03] [ 1.26398891e-13 -7.68829445e-15 1.24678046e-13] [-1.68701858e-14 -1.20806837e-13 -1.96559837e-13] [ 5.52891066e-14 -3.94801466e-03 -2.60985163e-03] [ 9.66934866e-15 3.94801466e-03 -2.60985163e-03] [ 9.85427018e-14 -3.94801466e-03 2.60985163e-03] [ 2.73826101e-14 3.94801466e-03 2.60985163e-03] [-3.94801466e-03 -5.87307980e-14 -2.60985163e-03] [-3.94801466e-03 1.51125640e-13 2.60985163e-03] [ 3.94801466e-03 4.24139890e-15 -2.60985163e-03] [ 3.94801466e-03 1.90215899e-13 2.60985163e-03] [ 3.12493203e-03 3.12493203e-03 -3.45279361e-14] [-3.12493203e-03 3.12493203e-03 2.05356565e-14] [ 3.12493203e-03 -3.12493203e-03 -4.98559527e-15] [-3.12493203e-03 -3.12493203e-03 -2.15261836e-13] [ 3.13810609e-13 -3.94801466e-03 -2.60985163e-03] [ 1.40635767e-13 3.94801466e-03 -2.60985163e-03] [ 1.98897756e-13 -3.94801466e-03 2.60985163e-03] [ 2.22796608e-13 3.94801466e-03 2.60985163e-03] [-3.94801466e-03 -2.35270145e-13 -2.60985163e-03] [-3.94801466e-03 -1.04448568e-13 2.60985163e-03] [ 3.94801466e-03 -4.68346716e-13 -2.60985163e-03] [ 3.94801466e-03 -3.16266111e-14 2.60985163e-03] [ 3.12493203e-03 3.12493203e-03 5.62928859e-13] [-3.12493203e-03 3.12493203e-03 5.73267691e-13] [ 3.12493203e-03 -3.12493203e-03 5.39189854e-13] [-3.12493203e-03 -3.12493203e-03 4.67870100e-13]] Final stress: [-2.03161465e-04 -2.03161465e-04 -9.35265434e-04 2.41549791e-16 1.41598154e-16 -6.66344252e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.52652551e-02 -1.17310675e-14 -1.22259407e-13] [-2.52652551e-02 -8.84015083e-14 -5.55111512e-16] [ 3.90828862e-14 1.84197360e-02 -6.17561557e-16] [ 9.79216708e-14 -1.84197360e-02 5.35682609e-15] [-3.43527290e-14 1.08108834e-13 2.52652551e-02] [-2.83939539e-14 4.45199433e-14 -2.52652551e-02] [ 2.52652551e-02 4.12643010e-14 2.56900438e-14] [-2.52652551e-02 3.22016719e-14 -1.63645973e-14] [-3.42039765e-14 1.84197360e-02 -1.26131624e-14] [ 1.89496856e-14 -1.84197360e-02 5.73634542e-14] [ 2.51665008e-15 2.04497877e-14 2.52652551e-02] [-5.85165597e-14 1.94754257e-14 -2.52652551e-02] [-1.12101320e-03 5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 -5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 5.48083587e-03 1.12101320e-03] [-1.12101320e-03 -5.48083587e-03 1.12101320e-03] [-1.12101320e-03 5.48083587e-03 1.12101320e-03] [ 1.12101320e-03 -5.48083587e-03 1.12101320e-03] [-1.12101320e-03 -5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 5.48083587e-03 -1.12101320e-03] [-1.12101320e-03 5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 -5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 5.48083587e-03 1.12101320e-03] [-1.12101320e-03 -5.48083587e-03 1.12101320e-03] [-1.12101320e-03 5.48083587e-03 1.12101320e-03] [ 1.12101320e-03 -5.48083587e-03 1.12101320e-03] [-1.12101320e-03 -5.48083587e-03 -1.12101320e-03] [ 1.12101320e-03 5.48083587e-03 -1.12101320e-03] [ 3.33066907e-14 4.98739938e-13 1.93345340e-13] [-3.79116443e-13 -2.08109468e-14 3.31982496e-13] [-4.18776125e-13 6.54145731e-03 -8.08387959e-03] [-4.32220232e-13 -6.54145731e-03 -8.08387959e-03] [-3.39145378e-13 6.54145731e-03 8.08387959e-03] [-1.61676228e-13 -6.54145731e-03 8.08387959e-03] [-4.57325967e-03 3.27515792e-14 -4.57325967e-03] [-4.57325967e-03 -1.44738388e-13 4.57325967e-03] [ 4.57325967e-03 -3.49300450e-13 -4.57325967e-03] [ 4.57325967e-03 -2.45536230e-13 4.57325967e-03] [-8.08387959e-03 6.54145731e-03 -1.13797860e-13] [ 8.08387959e-03 6.54145731e-03 -3.16245294e-13] [-8.08387959e-03 -6.54145731e-03 1.79162241e-13] [ 8.08387959e-03 -6.54145731e-03 -2.17086765e-13] [ 1.64475638e-13 6.54145731e-03 -8.08387959e-03] [-1.87371819e-14 -6.54145731e-03 -8.08387959e-03] [ 1.86357874e-13 6.54145731e-03 8.08387959e-03] [ 4.55755225e-14 -6.54145731e-03 8.08387959e-03] [-4.57325967e-03 2.47595013e-14 -4.57325967e-03] [-4.57325967e-03 9.45643303e-14 4.57325967e-03] [ 4.57325967e-03 1.19379333e-13 -4.57325967e-03] [ 4.57325967e-03 2.05653636e-13 4.57325967e-03] [-8.08387959e-03 6.54145731e-03 7.79193282e-14] [ 8.08387959e-03 6.54145731e-03 9.15776379e-14] [-8.08387959e-03 -6.54145731e-03 4.00404116e-13] [ 8.08387959e-03 -6.54145731e-03 2.95766016e-14]] Final stress: [ 3.02719368e-04 1.04404207e-03 3.02719368e-04 -1.99105259e-17 7.13460513e-17 -3.65026309e-17] Minimization converged after 37 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.46191410e-02 3.72943863e-14 1.33869478e-13] [ 1.46191410e-02 2.07056594e-14 1.31006317e-14] [ 1.28653598e-13 3.02551871e-04 1.06145561e-13] [ 7.98805466e-14 -3.02551871e-04 1.54487534e-13] [ 6.13589041e-14 6.12864794e-14 -1.46191410e-02] [ 6.50590692e-14 -5.42343948e-14 1.46191410e-02] [-1.46191410e-02 4.43343279e-14 -1.62988718e-14] [ 1.46191410e-02 4.92297175e-14 -2.79885247e-14] [-6.90255145e-14 3.02551871e-04 7.61166753e-14] [-9.45250822e-14 -3.02551871e-04 -2.80967008e-14] [-7.76861214e-14 -1.44263037e-14 -1.46191410e-02] [-7.20092388e-14 -2.81863111e-14 1.46191410e-02] [-9.35548101e-04 -7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 -7.45732865e-03 9.35548101e-04] [-9.35548101e-04 7.45732865e-03 9.35548101e-04] [-9.35548101e-04 -7.45732865e-03 9.35548101e-04] [ 9.35548101e-04 7.45732865e-03 9.35548101e-04] [-9.35548101e-04 7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 -7.45732865e-03 -9.35548101e-04] [-9.35548101e-04 -7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 -7.45732865e-03 9.35548101e-04] [-9.35548101e-04 7.45732865e-03 9.35548101e-04] [-9.35548101e-04 -7.45732865e-03 9.35548101e-04] [ 9.35548101e-04 7.45732865e-03 9.35548101e-04] [-9.35548101e-04 7.45732865e-03 -9.35548101e-04] [ 9.35548101e-04 -7.45732865e-03 -9.35548101e-04] [ 1.87766469e-13 -1.57707181e-13 1.77885484e-13] [-1.34368645e-13 -9.26970328e-14 -1.25428532e-13] [ 1.72417636e-13 -2.65519202e-03 -3.92536903e-03] [ 1.02990533e-13 2.65519202e-03 -3.92536903e-03] [-5.69440328e-14 -2.65519202e-03 3.92536903e-03] [ 1.45057577e-14 2.65519202e-03 3.92536903e-03] [ 3.11668817e-03 -4.37871961e-13 3.11668817e-03] [ 3.11668817e-03 -1.55188362e-13 -3.11668817e-03] [-3.11668817e-03 -4.42682349e-13 3.11668817e-03] [-3.11668817e-03 -5.47704243e-14 -3.11668817e-03] [-3.92536903e-03 -2.65519202e-03 8.75965966e-14] [ 3.92536903e-03 -2.65519202e-03 2.07136391e-13] [-3.92536903e-03 2.65519202e-03 6.67608330e-14] [ 3.92536903e-03 2.65519202e-03 1.91574187e-13] [-3.35881496e-14 -2.65519202e-03 -3.92536903e-03] [ 2.21815188e-13 2.65519202e-03 -3.92536903e-03] [ 2.48941492e-13 -2.65519202e-03 3.92536903e-03] [ 4.29686235e-13 2.65519202e-03 3.92536903e-03] [ 3.11668817e-03 -1.75379130e-14 3.11668817e-03] [ 3.11668817e-03 -1.14502591e-14 -3.11668817e-03] [-3.11668817e-03 -4.55794257e-14 3.11668817e-03] [-3.11668817e-03 -4.00695102e-14 -3.11668817e-03] [-3.92536903e-03 -2.65519202e-03 5.04074719e-14] [ 3.92536903e-03 -2.65519202e-03 7.03881669e-15] [-3.92536903e-03 2.65519202e-03 4.70890931e-13] [ 3.92536903e-03 2.65519202e-03 1.83935766e-13]] Final stress: [-2.03004903e-04 -9.34869346e-04 -2.03004903e-04 6.66344252e-17 1.86576391e-16 6.99661465e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.50887698e-03 -5.74280207e-15 1.09777638e-14] [-5.50887698e-03 -4.80171458e-15 2.69784195e-14] [-1.42316714e-14 8.96755221e-04 -1.19103970e-03] [-1.98452366e-14 -8.96755221e-04 1.19103970e-03] [-2.99413272e-15 -1.19103970e-03 8.96755221e-04] [-2.30648833e-14 1.19103970e-03 -8.96755221e-04] [ 5.50887698e-03 -1.51571464e-14 1.06771713e-14] [-5.50887698e-03 -1.58796587e-14 -1.88777310e-14] [-1.66581159e-14 8.96755221e-04 -1.19103970e-03] [-1.09821006e-14 -8.96755221e-04 1.19103970e-03] [-2.40740587e-14 -1.19103970e-03 8.96755221e-04] [ 7.43112169e-15 1.19103970e-03 -8.96755221e-04] [ 2.02108963e-03 1.98999323e-03 1.98999323e-03] [ 4.60985065e-03 -1.32589795e-03 1.32589795e-03] [ 4.60985065e-03 1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 -1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 1.32589795e-03 -1.32589795e-03] [-2.02108963e-03 -1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 -1.32589795e-03 1.32589795e-03] [-2.02108963e-03 1.98999323e-03 1.98999323e-03] [ 2.02108963e-03 1.98999323e-03 1.98999323e-03] [ 4.60985065e-03 -1.32589795e-03 1.32589795e-03] [ 4.60985065e-03 1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 -1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 1.32589795e-03 -1.32589795e-03] [-2.02108963e-03 -1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 -1.32589795e-03 1.32589795e-03] [-2.02108963e-03 1.98999323e-03 1.98999323e-03] [ 1.17961196e-14 -3.98847622e-14 1.33087985e-13] [ 3.88534691e-15 6.66890547e-15 -8.64328032e-14] [ 1.12132525e-14 6.86882216e-03 6.86882216e-03] [ 6.85909662e-15 1.21515267e-03 -1.21515267e-03] [ 1.08787979e-13 -1.21515267e-03 1.21515267e-03] [ 9.09099185e-14 -6.86882216e-03 -6.86882216e-03] [-2.44237909e-04 2.47638597e-03 5.11193672e-04] [-2.44237909e-04 -2.47638597e-03 -5.11193672e-04] [ 2.44237909e-04 2.47638597e-03 5.11193672e-04] [ 2.44237909e-04 -2.47638597e-03 -5.11193673e-04] [-2.44237910e-04 5.11193673e-04 2.47638597e-03] [ 2.44237910e-04 5.11193673e-04 2.47638597e-03] [-2.44237910e-04 -5.11193673e-04 -2.47638597e-03] [ 2.44237910e-04 -5.11193673e-04 -2.47638597e-03] [-3.84323649e-14 6.86882216e-03 6.86882216e-03] [-3.56034646e-14 1.21515267e-03 -1.21515267e-03] [ 2.28116137e-14 -1.21515267e-03 1.21515267e-03] [ 1.76551482e-15 -6.86882216e-03 -6.86882216e-03] [-2.44237910e-04 2.47638597e-03 5.11193673e-04] [-2.44237909e-04 -2.47638597e-03 -5.11193673e-04] [ 2.44237910e-04 2.47638597e-03 5.11193673e-04] [ 2.44237909e-04 -2.47638597e-03 -5.11193673e-04] [-2.44237909e-04 5.11193673e-04 2.47638597e-03] [ 2.44237909e-04 5.11193672e-04 2.47638597e-03] [-2.44237909e-04 -5.11193673e-04 -2.47638597e-03] [ 2.44237909e-04 -5.11193672e-04 -2.47638597e-03]] Final stress: [-5.99846592e-05 3.79041405e-04 3.79041405e-04 4.51378696e-04 6.64348547e-18 4.98261410e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.50887698e-03 -5.10876064e-16 -1.93512741e-14] [-5.50887698e-03 1.06858966e-14 -4.56579219e-14] [ 2.66778787e-14 8.96755221e-04 1.19103970e-03] [ 8.68749517e-15 -8.96755221e-04 -1.19103970e-03] [ 1.59902473e-14 1.19103970e-03 8.96755221e-04] [ 2.48412402e-14 -1.19103970e-03 -8.96755221e-04] [ 5.50887698e-03 -6.17257981e-15 -4.05605534e-14] [-5.50887698e-03 1.65154349e-14 -3.26473302e-14] [-1.94028821e-15 8.96755221e-04 1.19103970e-03] [-1.55786842e-14 -8.96755221e-04 -1.19103970e-03] [-6.49003420e-15 1.19103970e-03 8.96755221e-04] [-1.24240895e-14 -1.19103970e-03 -8.96755221e-04] [-4.60985065e-03 1.32589795e-03 1.32589795e-03] [-2.02108963e-03 -1.98999323e-03 1.98999323e-03] [-2.02108963e-03 1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 -1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 1.98999323e-03 -1.98999323e-03] [ 4.60985065e-03 -1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 -1.98999323e-03 1.98999323e-03] [ 4.60985065e-03 1.32589795e-03 1.32589795e-03] [-4.60985065e-03 1.32589795e-03 1.32589795e-03] [-2.02108963e-03 -1.98999323e-03 1.98999323e-03] [-2.02108963e-03 1.98999323e-03 -1.98999323e-03] [-4.60985065e-03 -1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 1.98999323e-03 -1.98999323e-03] [ 4.60985065e-03 -1.32589795e-03 -1.32589795e-03] [ 2.02108963e-03 -1.98999323e-03 1.98999323e-03] [ 4.60985065e-03 1.32589795e-03 1.32589795e-03] [ 4.60187444e-14 -1.03611564e-13 1.35447209e-13] [-6.75340860e-14 8.00397866e-15 -2.62463552e-14] [-5.45119505e-14 -1.21515267e-03 -1.21515267e-03] [-1.00143852e-13 -6.86882216e-03 6.86882216e-03] [ 4.57620053e-15 6.86882216e-03 -6.86882216e-03] [ 1.46688217e-14 1.21515267e-03 1.21515267e-03] [-2.44237910e-04 -2.47638597e-03 5.11193672e-04] [-2.44237910e-04 2.47638597e-03 -5.11193672e-04] [ 2.44237910e-04 -2.47638597e-03 5.11193672e-04] [ 2.44237910e-04 2.47638597e-03 -5.11193672e-04] [-2.44237910e-04 5.11193672e-04 -2.47638597e-03] [ 2.44237910e-04 5.11193672e-04 -2.47638597e-03] [-2.44237910e-04 -5.11193672e-04 2.47638597e-03] [ 2.44237909e-04 -5.11193672e-04 2.47638597e-03] [-1.81330645e-14 -1.21515267e-03 -1.21515267e-03] [ 3.13507900e-15 -6.86882216e-03 6.86882216e-03] [-9.75781955e-16 6.86882216e-03 -6.86882216e-03] [ 5.95660674e-15 1.21515267e-03 1.21515267e-03] [-2.44237910e-04 -2.47638597e-03 5.11193672e-04] [-2.44237909e-04 2.47638597e-03 -5.11193672e-04] [ 2.44237910e-04 -2.47638597e-03 5.11193672e-04] [ 2.44237910e-04 2.47638597e-03 -5.11193672e-04] [-2.44237910e-04 5.11193672e-04 -2.47638597e-03] [ 2.44237910e-04 5.11193672e-04 -2.47638597e-03] [-2.44237910e-04 -5.11193672e-04 2.47638597e-03] [ 2.44237910e-04 -5.11193672e-04 2.47638597e-03]] Final stress: [-5.99846592e-05 3.79041405e-04 3.79041405e-04 -4.51378696e-04 5.48087551e-17 -4.98261410e-18] Minimization converged after 28 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.56990913e-03 2.66496894e-15 -1.16847255e-03] [-4.56990913e-03 1.88460358e-14 1.16847255e-03] [ 2.49370836e-14 6.79823414e-04 -5.59882002e-16] [ 2.67286193e-14 -6.79823414e-04 7.77156117e-15] [-9.70063466e-04 2.03552453e-14 7.82412688e-04] [ 9.70063466e-04 3.08364445e-14 -7.82412688e-04] [ 4.56990913e-03 1.29783337e-14 -1.16847255e-03] [-4.56990913e-03 7.37604422e-15 1.16847255e-03] [-8.49797663e-15 6.79823414e-04 -4.81940995e-15] [ 9.96511901e-15 -6.79823414e-04 -2.82505482e-14] [-9.70063466e-04 -5.14477315e-15 7.82412688e-04] [ 9.70063466e-04 1.52850646e-14 -7.82412688e-04] [-8.26958388e-04 3.80649357e-03 1.69642550e-03] [ 1.48637968e-03 1.24334511e-03 9.60507637e-04] [ 8.26958388e-04 3.80649357e-03 -1.69642550e-03] [-1.48637968e-03 1.24334511e-03 -9.60507637e-04] [-1.48637968e-03 -1.24334511e-03 -9.60507637e-04] [ 8.26958388e-04 -3.80649357e-03 -1.69642550e-03] [-8.26958388e-04 -3.80649357e-03 1.69642550e-03] [ 1.48637968e-03 -1.24334511e-03 9.60507637e-04] [-8.26958388e-04 3.80649357e-03 1.69642550e-03] [ 1.48637968e-03 1.24334511e-03 9.60507637e-04] [ 8.26958388e-04 3.80649357e-03 -1.69642550e-03] [-1.48637968e-03 1.24334511e-03 -9.60507637e-04] [-1.48637968e-03 -1.24334511e-03 -9.60507637e-04] [ 8.26958388e-04 -3.80649357e-03 -1.69642550e-03] [-8.26958388e-04 -3.80649357e-03 1.69642550e-03] [ 1.48637968e-03 -1.24334511e-03 9.60507637e-04] [ 1.60427227e-14 2.45081733e-14 4.03566069e-14] [-2.75664908e-14 3.39339123e-15 -6.26197893e-14] [ 1.57882583e-03 2.27649130e-03 2.27258230e-03] [ 1.57882583e-03 -2.27649130e-03 2.27258230e-03] [-1.57882583e-03 2.27649130e-03 -2.27258230e-03] [-1.57882583e-03 -2.27649130e-03 -2.27258230e-03] [ 2.96858242e-03 2.40918396e-14 3.44487182e-03] [-3.44249741e-03 2.32990710e-14 3.12631713e-03] [ 3.44249741e-03 -7.85135845e-15 -3.12631713e-03] [-2.96858242e-03 -2.78319034e-14 -3.44487182e-03] [-2.49440224e-04 1.49100937e-04 1.73890251e-03] [ 2.49440224e-04 1.49100937e-04 -1.73890251e-03] [-2.49440224e-04 -1.49100937e-04 1.73890251e-03] [ 2.49440224e-04 -1.49100937e-04 -1.73890251e-03] [ 1.57882583e-03 2.27649130e-03 2.27258230e-03] [ 1.57882583e-03 -2.27649130e-03 2.27258230e-03] [-1.57882583e-03 2.27649130e-03 -2.27258230e-03] [-1.57882583e-03 -2.27649130e-03 -2.27258230e-03] [ 2.96858242e-03 -4.66879869e-14 3.44487182e-03] [-3.44249741e-03 -6.52154112e-14 3.12631713e-03] [ 3.44249741e-03 -2.04562929e-14 -3.12631713e-03] [-2.96858242e-03 -4.40064651e-14 -3.44487182e-03] [-2.49440224e-04 1.49100937e-04 1.73890251e-03] [ 2.49440224e-04 1.49100937e-04 -1.73890251e-03] [-2.49440224e-04 -1.49100937e-04 1.73890251e-03] [ 2.49440224e-04 -1.49100937e-04 -1.73890251e-03]] Final stress: [-2.32347720e-05 3.73436912e-04 3.74320804e-04 1.49478423e-17 4.51746590e-04 -3.82000414e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.56990914e-03 -7.62150759e-15 1.16847255e-03] [-4.56990914e-03 -4.71844785e-16 -1.16847255e-03] [ 2.03799651e-14 6.79823414e-04 2.92339937e-14] [ 1.26842981e-14 -6.79823414e-04 1.39332990e-14] [ 9.70063465e-04 1.69135539e-17 7.82412689e-04] [-9.70063465e-04 3.11972670e-14 -7.82412689e-04] [ 4.56990914e-03 1.17484147e-15 1.16847255e-03] [-4.56990914e-03 -2.29382485e-14 -1.16847255e-03] [-6.29661254e-15 6.79823414e-04 -1.68926356e-14] [ 8.15797083e-15 -6.79823414e-04 -1.01001750e-14] [ 9.70063465e-04 -2.48998950e-14 7.82412689e-04] [-9.70063465e-04 -6.06951597e-15 -7.82412689e-04] [-1.48637968e-03 -1.24334511e-03 9.60507639e-04] [ 8.26958389e-04 -3.80649358e-03 1.69642550e-03] [ 1.48637968e-03 -1.24334511e-03 -9.60507639e-04] [-8.26958389e-04 -3.80649358e-03 -1.69642550e-03] [-8.26958389e-04 3.80649358e-03 -1.69642550e-03] [ 1.48637968e-03 1.24334511e-03 -9.60507639e-04] [-1.48637968e-03 1.24334511e-03 9.60507639e-04] [ 8.26958388e-04 3.80649358e-03 1.69642550e-03] [-1.48637968e-03 -1.24334511e-03 9.60507639e-04] [ 8.26958389e-04 -3.80649358e-03 1.69642550e-03] [ 1.48637968e-03 -1.24334511e-03 -9.60507639e-04] [-8.26958388e-04 -3.80649358e-03 -1.69642550e-03] [-8.26958388e-04 3.80649358e-03 -1.69642550e-03] [ 1.48637968e-03 1.24334511e-03 -9.60507639e-04] [-1.48637968e-03 1.24334511e-03 9.60507639e-04] [ 8.26958389e-04 3.80649358e-03 1.69642550e-03] [-9.35362898e-15 -4.94049246e-14 5.75095527e-14] [-9.23913723e-15 -8.37787636e-14 -5.26811379e-15] [-1.57882584e-03 2.27649130e-03 2.27258230e-03] [-1.57882584e-03 -2.27649130e-03 2.27258230e-03] [ 1.57882584e-03 2.27649130e-03 -2.27258230e-03] [ 1.57882584e-03 -2.27649130e-03 -2.27258230e-03] [-3.44249742e-03 3.37507799e-14 -3.12631714e-03] [ 2.96858242e-03 8.86617169e-15 -3.44487182e-03] [-2.96858242e-03 -1.84297022e-14 3.44487182e-03] [ 3.44249742e-03 -2.08496415e-14 3.12631714e-03] [-2.49440224e-04 1.49100938e-04 -1.73890251e-03] [ 2.49440224e-04 1.49100938e-04 1.73890251e-03] [-2.49440224e-04 -1.49100938e-04 -1.73890251e-03] [ 2.49440224e-04 -1.49100938e-04 1.73890251e-03] [-1.57882584e-03 2.27649130e-03 2.27258230e-03] [-1.57882584e-03 -2.27649130e-03 2.27258230e-03] [ 1.57882584e-03 2.27649130e-03 -2.27258230e-03] [ 1.57882584e-03 -2.27649130e-03 -2.27258230e-03] [-3.44249742e-03 -5.94094096e-14 -3.12631714e-03] [ 2.96858242e-03 -3.42323826e-14 -3.44487182e-03] [-2.96858242e-03 -3.56845629e-14 3.44487182e-03] [ 3.44249742e-03 -1.41605477e-14 3.12631714e-03] [-2.49440224e-04 1.49100938e-04 -1.73890251e-03] [ 2.49440224e-04 1.49100938e-04 1.73890251e-03] [-2.49440224e-04 -1.49100938e-04 -1.73890251e-03] [ 2.49440224e-04 -1.49100938e-04 1.73890251e-03]] Final stress: [-2.32347721e-05 3.73436912e-04 3.74320804e-04 -5.97913691e-17 -4.51746590e-04 2.65739418e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.90448975e-03 7.18869408e-15 -1.47673676e-03] [ 2.90448975e-03 2.69229083e-15 1.47673676e-03] [-8.15320034e-16 -4.16954817e-04 -2.11636264e-15] [ 4.99600361e-16 4.16954817e-04 3.71924713e-15] [-1.58121781e-03 6.68735900e-16 -3.91449807e-04] [ 1.58121781e-03 -6.24500451e-15 3.91449807e-04] [-2.90448975e-03 -1.88954755e-15 -1.47673676e-03] [ 2.90448975e-03 2.32799890e-15 1.47673676e-03] [ 4.59268040e-16 -4.16954817e-04 -2.30699757e-15] [-1.63627792e-15 4.16954817e-04 -9.82030306e-15] [-1.58121781e-03 -5.79008949e-16 -3.91449807e-04] [ 1.58121781e-03 5.45175720e-15 3.91449807e-04] [ 1.57198000e-03 2.45442817e-04 -3.47154905e-04] [-5.27634853e-04 1.97357567e-03 -1.34840666e-03] [-1.57198000e-03 2.45442817e-04 3.47154905e-04] [ 5.27634853e-04 1.97357567e-03 1.34840666e-03] [ 5.27634853e-04 -1.97357567e-03 1.34840666e-03] [-1.57198000e-03 -2.45442817e-04 3.47154905e-04] [ 1.57198000e-03 -2.45442817e-04 -3.47154905e-04] [-5.27634853e-04 -1.97357567e-03 -1.34840666e-03] [ 1.57198000e-03 2.45442817e-04 -3.47154905e-04] [-5.27634853e-04 1.97357567e-03 -1.34840666e-03] [-1.57198000e-03 2.45442817e-04 3.47154905e-04] [ 5.27634853e-04 1.97357567e-03 1.34840666e-03] [ 5.27634853e-04 -1.97357567e-03 1.34840666e-03] [-1.57198000e-03 -2.45442817e-04 3.47154905e-04] [ 1.57198000e-03 -2.45442817e-04 -3.47154905e-04] [-5.27634853e-04 -1.97357567e-03 -1.34840666e-03] [ 1.83464355e-14 4.02455846e-15 1.89015470e-14] [ 5.00641195e-15 -2.00690159e-14 -9.15810583e-15] [ 5.21052467e-04 -1.56104314e-03 -1.57128044e-03] [ 5.21052467e-04 1.56104314e-03 -1.57128044e-03] [-5.21052467e-04 -1.56104314e-03 1.57128044e-03] [-5.21052467e-04 1.56104314e-03 1.57128044e-03] [ 2.03586079e-03 -3.54161145e-14 2.32666166e-03] [-1.86344320e-03 -3.04443970e-15 1.52286689e-03] [ 1.86344320e-03 -2.44335802e-14 -1.52286689e-03] [-2.03586079e-03 -9.45077350e-15 -2.32666166e-03] [ 7.38418941e-05 4.00332947e-04 4.30073012e-04] [-7.38418941e-05 4.00332947e-04 -4.30073012e-04] [ 7.38418941e-05 -4.00332947e-04 4.30073012e-04] [-7.38418941e-05 -4.00332947e-04 -4.30073012e-04] [ 5.21052467e-04 -1.56104314e-03 -1.57128044e-03] [ 5.21052467e-04 1.56104314e-03 -1.57128044e-03] [-5.21052467e-04 -1.56104314e-03 1.57128044e-03] [-5.21052467e-04 1.56104314e-03 1.57128044e-03] [ 2.03586079e-03 2.37991999e-14 2.32666166e-03] [-1.86344320e-03 -7.39035569e-15 1.52286689e-03] [ 1.86344320e-03 5.77532813e-15 -1.52286689e-03] [-2.03586079e-03 4.35849273e-16 -2.32666166e-03] [ 7.38418941e-05 4.00332947e-04 4.30073012e-04] [-7.38418941e-05 4.00332947e-04 -4.30073012e-04] [ 7.38418941e-05 -4.00332947e-04 4.30073012e-04] [-7.38418941e-05 -4.00332947e-04 -4.30073012e-04]] Final stress: [-2.22252806e-05 -3.68640010e-04 -3.68224751e-04 1.33135715e-17 4.51129661e-04 -9.98517862e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.88354442e-03 -2.98329070e-15 1.58449811e-03] [ 2.88354442e-03 6.46704912e-15 -1.58449811e-03] [ 1.77592316e-15 -3.41926217e-04 5.57540125e-15] [ 2.33146835e-15 3.41926217e-04 2.44249065e-15] [ 1.68884889e-03 -4.60916028e-15 -3.15551725e-04] [-1.68884889e-03 -3.60822483e-16 3.15551725e-04] [-2.88354442e-03 1.06295181e-15 1.58449811e-03] [ 2.88354442e-03 -3.69105788e-15 -1.58449811e-03] [ 5.03503489e-16 -3.41926217e-04 -5.46944844e-15] [ 5.34988720e-15 3.41926217e-04 -3.15076775e-15] [ 1.68884889e-03 2.34694585e-15 -3.15551725e-04] [-1.68884889e-03 -3.55364588e-16 3.15551725e-04] [ 5.02359551e-04 -1.90709262e-03 -1.36905475e-03] [-1.56829666e-03 -1.59684351e-04 -3.45160842e-04] [-5.02359551e-04 -1.90709262e-03 1.36905475e-03] [ 1.56829666e-03 -1.59684351e-04 3.45160842e-04] [ 1.56829666e-03 1.59684351e-04 3.45160842e-04] [-5.02359551e-04 1.90709262e-03 1.36905475e-03] [ 5.02359551e-04 1.90709262e-03 -1.36905475e-03] [-1.56829666e-03 1.59684351e-04 -3.45160842e-04] [ 5.02359551e-04 -1.90709262e-03 -1.36905475e-03] [-1.56829666e-03 -1.59684351e-04 -3.45160842e-04] [-5.02359551e-04 -1.90709262e-03 1.36905475e-03] [ 1.56829666e-03 -1.59684351e-04 3.45160842e-04] [ 1.56829666e-03 1.59684351e-04 3.45160842e-04] [-5.02359551e-04 1.90709262e-03 1.36905475e-03] [ 5.02359551e-04 1.90709262e-03 -1.36905475e-03] [-1.56829666e-03 1.59684351e-04 -3.45160842e-04] [ 1.82354132e-14 -1.55431223e-14 3.66928710e-14] [-2.10140065e-14 -6.84934050e-15 -2.00000899e-14] [-5.60880085e-04 -1.57720264e-03 -1.58763375e-03] [-5.60880085e-04 1.57720264e-03 -1.58763375e-03] [ 5.60880085e-04 -1.57720264e-03 1.58763375e-03] [ 5.60880085e-04 1.57720264e-03 1.58763375e-03] [-1.94324513e-03 1.38777878e-14 -1.47500113e-03] [ 1.93754939e-03 6.04204187e-15 -2.35956354e-03] [-1.93754939e-03 -1.75050946e-14 2.35956354e-03] [ 1.94324513e-03 -9.61036806e-15 1.47500113e-03] [-1.52584101e-05 4.40882926e-04 -4.70279946e-04] [ 1.52584101e-05 4.40882926e-04 4.70279946e-04] [-1.52584102e-05 -4.40882926e-04 -4.70279946e-04] [ 1.52584101e-05 -4.40882926e-04 4.70279946e-04] [-5.60880085e-04 -1.57720264e-03 -1.58763375e-03] [-5.60880085e-04 1.57720264e-03 -1.58763375e-03] [ 5.60880085e-04 -1.57720264e-03 1.58763375e-03] [ 5.60880085e-04 1.57720264e-03 1.58763375e-03] [-1.94324513e-03 -1.79759262e-14 -1.47500113e-03] [ 1.93754939e-03 -5.65086172e-15 -2.35956354e-03] [-1.93754939e-03 -9.47896275e-15 2.35956354e-03] [ 1.94324513e-03 8.08858189e-15 1.47500113e-03] [-1.52584101e-05 4.40882926e-04 -4.70279946e-04] [ 1.52584101e-05 4.40882926e-04 4.70279946e-04] [-1.52584101e-05 -4.40882926e-04 -4.70279946e-04] [ 1.52584101e-05 -4.40882926e-04 4.70279946e-04]] Final stress: [-2.12872729e-05 -3.68340023e-04 -3.67923268e-04 -9.98517862e-18 -4.50044533e-04 -1.66419644e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.56990914e-03 -1.16847255e-03 -3.03489872e-15] [-4.56990914e-03 1.16847255e-03 -3.88578059e-15] [-9.70063466e-04 7.82412689e-04 1.44463434e-14] [ 9.70063466e-04 -7.82412689e-04 -1.32116540e-14] [-4.59983614e-14 -1.88564442e-15 6.79823414e-04] [-3.55271368e-14 1.95121697e-14 -6.79823414e-04] [ 4.56990914e-03 -1.16847255e-03 1.47240341e-14] [-4.56990914e-03 1.16847255e-03 2.53339713e-15] [-9.70063466e-04 7.82412689e-04 -1.06395829e-14] [ 9.70063466e-04 -7.82412689e-04 -2.01715308e-14] [-8.60249372e-15 1.97176395e-15 6.79823414e-04] [ 1.13520304e-14 1.65164648e-16 -6.79823414e-04] [-8.26958388e-04 1.69642550e-03 3.80649358e-03] [ 8.26958388e-04 -1.69642550e-03 3.80649358e-03] [ 1.48637968e-03 9.60507638e-04 1.24334511e-03] [-1.48637968e-03 -9.60507638e-04 1.24334511e-03] [-8.26958388e-04 1.69642550e-03 -3.80649358e-03] [ 8.26958388e-04 -1.69642550e-03 -3.80649358e-03] [-1.48637968e-03 -9.60507638e-04 -1.24334511e-03] [ 1.48637968e-03 9.60507638e-04 -1.24334511e-03] [-8.26958388e-04 1.69642550e-03 3.80649358e-03] [ 8.26958388e-04 -1.69642550e-03 3.80649358e-03] [ 1.48637968e-03 9.60507638e-04 1.24334511e-03] [-1.48637968e-03 -9.60507638e-04 1.24334511e-03] [-8.26958388e-04 1.69642550e-03 -3.80649358e-03] [ 8.26958388e-04 -1.69642550e-03 -3.80649358e-03] [-1.48637968e-03 -9.60507638e-04 -1.24334511e-03] [ 1.48637968e-03 9.60507638e-04 -1.24334511e-03] [-3.53050922e-14 2.86715096e-14 1.07358566e-13] [-1.67075555e-14 -4.79658457e-14 -2.00485536e-14] [ 1.57882584e-03 2.27258230e-03 2.27649130e-03] [-1.57882584e-03 -2.27258230e-03 2.27649130e-03] [ 1.57882584e-03 2.27258230e-03 -2.27649130e-03] [-1.57882584e-03 -2.27258230e-03 -2.27649130e-03] [-2.49440224e-04 1.73890251e-03 1.49100938e-04] [-2.49440224e-04 1.73890251e-03 -1.49100938e-04] [ 2.49440224e-04 -1.73890251e-03 1.49100938e-04] [ 2.49440224e-04 -1.73890251e-03 -1.49100938e-04] [ 2.96858242e-03 3.44487182e-03 -9.13713549e-14] [ 3.44249742e-03 -3.12631714e-03 -4.27539948e-14] [-3.44249742e-03 3.12631714e-03 -2.13197515e-15] [-2.96858242e-03 -3.44487182e-03 -1.36557432e-14] [ 1.57882584e-03 2.27258230e-03 2.27649130e-03] [-1.57882584e-03 -2.27258230e-03 2.27649130e-03] [ 1.57882584e-03 2.27258230e-03 -2.27649130e-03] [-1.57882584e-03 -2.27258230e-03 -2.27649130e-03] [-2.49440224e-04 1.73890251e-03 1.49100938e-04] [-2.49440224e-04 1.73890251e-03 -1.49100938e-04] [ 2.49440224e-04 -1.73890251e-03 1.49100938e-04] [ 2.49440224e-04 -1.73890251e-03 -1.49100938e-04] [ 2.96858242e-03 3.44487182e-03 8.86239520e-14] [ 3.44249742e-03 -3.12631714e-03 1.24177060e-13] [-3.44249742e-03 3.12631714e-03 5.38993797e-14] [-2.96858242e-03 -3.44487182e-03 3.93643451e-14]] Final stress: [-2.32347721e-05 3.74320804e-04 3.73436912e-04 3.48782987e-17 -3.32174273e-18 4.51746590e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.56990914e-03 1.16847255e-03 -4.60048666e-15] [-4.56990914e-03 -1.16847255e-03 4.19109192e-15] [ 9.70063465e-04 7.82412689e-04 -2.37006595e-14] [-9.70063465e-04 -7.82412689e-04 -8.63198402e-15] [ 2.02372841e-14 1.59772369e-14 6.79823414e-04] [ 7.85482790e-15 -5.35682609e-15 -6.79823414e-04] [ 4.56990914e-03 1.16847255e-03 -1.04781635e-14] [-4.56990914e-03 -1.16847255e-03 -7.76276253e-16] [ 9.70063465e-04 7.82412689e-04 -5.24450275e-15] [-9.70063465e-04 -7.82412689e-04 -4.35121481e-15] [ 7.91901267e-16 -6.06566053e-15 6.79823414e-04] [-2.81935933e-15 1.54162919e-15 -6.79823414e-04] [-1.48637968e-03 9.60507640e-04 -1.24334511e-03] [ 1.48637968e-03 -9.60507640e-04 -1.24334511e-03] [ 8.26958389e-04 1.69642550e-03 -3.80649358e-03] [-8.26958389e-04 -1.69642550e-03 -3.80649358e-03] [-1.48637968e-03 9.60507640e-04 1.24334511e-03] [ 1.48637968e-03 -9.60507640e-04 1.24334511e-03] [-8.26958389e-04 -1.69642550e-03 3.80649358e-03] [ 8.26958389e-04 1.69642550e-03 3.80649358e-03] [-1.48637968e-03 9.60507640e-04 -1.24334511e-03] [ 1.48637968e-03 -9.60507640e-04 -1.24334511e-03] [ 8.26958389e-04 1.69642550e-03 -3.80649358e-03] [-8.26958389e-04 -1.69642550e-03 -3.80649358e-03] [-1.48637968e-03 9.60507640e-04 1.24334511e-03] [ 1.48637968e-03 -9.60507640e-04 1.24334511e-03] [-8.26958389e-04 -1.69642550e-03 3.80649358e-03] [ 8.26958389e-04 1.69642550e-03 3.80649358e-03] [ 8.59590177e-14 3.54716256e-14 1.10050857e-13] [-5.57557472e-14 -2.16702682e-14 -6.63775709e-15] [-1.57882584e-03 2.27258230e-03 2.27649130e-03] [ 1.57882584e-03 -2.27258230e-03 2.27649130e-03] [-1.57882584e-03 2.27258230e-03 -2.27649130e-03] [ 1.57882584e-03 -2.27258230e-03 -2.27649130e-03] [-2.49440224e-04 -1.73890252e-03 1.49100940e-04] [-2.49440224e-04 -1.73890252e-03 -1.49100940e-04] [ 2.49440224e-04 1.73890252e-03 1.49100940e-04] [ 2.49440224e-04 1.73890252e-03 -1.49100940e-04] [-3.44249742e-03 -3.12631714e-03 5.11812814e-14] [-2.96858242e-03 3.44487183e-03 -6.02642936e-15] [ 2.96858242e-03 -3.44487183e-03 -8.76208828e-15] [ 3.44249742e-03 3.12631714e-03 -5.20417043e-14] [-1.57882584e-03 2.27258230e-03 2.27649130e-03] [ 1.57882584e-03 -2.27258230e-03 2.27649130e-03] [-1.57882584e-03 2.27258230e-03 -2.27649130e-03] [ 1.57882584e-03 -2.27258230e-03 -2.27649130e-03] [-2.49440224e-04 -1.73890252e-03 1.49100940e-04] [-2.49440224e-04 -1.73890252e-03 -1.49100940e-04] [ 2.49440224e-04 1.73890252e-03 1.49100940e-04] [ 2.49440224e-04 1.73890252e-03 -1.49100940e-04] [-3.44249742e-03 -3.12631714e-03 1.80677155e-14] [-2.96858242e-03 3.44487183e-03 5.21461401e-14] [ 2.96858242e-03 -3.44487183e-03 7.95293939e-14] [ 3.44249742e-03 3.12631714e-03 2.50919077e-14]] Final stress: [-2.32347723e-05 3.74320805e-04 3.73436912e-04 1.99304564e-17 1.82695850e-17 -4.51746590e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.89465483e-03 -1.52820113e-03 3.28296418e-15] [ 2.89465483e-03 1.52820113e-03 3.60822483e-15] [-1.63257747e-03 -3.50787263e-04 -5.72545483e-15] [ 1.63257747e-03 3.50787263e-04 3.10862447e-15] [-3.06482270e-15 4.81385765e-16 -3.76808557e-04] [-5.82867088e-16 -5.66213743e-15 3.76808557e-04] [-2.89465483e-03 -1.52820113e-03 1.11773079e-15] [ 2.89465483e-03 1.52820113e-03 -3.40482239e-15] [-1.63257747e-03 -3.50787263e-04 -3.02912590e-15] [ 1.63257747e-03 3.50787263e-04 -8.50957735e-15] [-1.92987987e-15 -2.19051995e-15 -3.76808557e-04] [-2.65846373e-15 8.21005996e-15 3.76808557e-04] [ 1.56889324e-03 -3.47620367e-04 2.03298207e-04] [-1.56889324e-03 3.47620367e-04 2.03298207e-04] [-5.16337537e-04 -1.35756408e-03 1.94144788e-03] [ 5.16337537e-04 1.35756408e-03 1.94144788e-03] [ 1.56889324e-03 -3.47620367e-04 -2.03298207e-04] [-1.56889324e-03 3.47620367e-04 -2.03298207e-04] [ 5.16337537e-04 1.35756408e-03 -1.94144788e-03] [-5.16337537e-04 -1.35756408e-03 -1.94144788e-03] [ 1.56889324e-03 -3.47620367e-04 2.03298207e-04] [-1.56889324e-03 3.47620367e-04 2.03298207e-04] [-5.16337537e-04 -1.35756408e-03 1.94144788e-03] [ 5.16337537e-04 1.35756408e-03 1.94144788e-03] [ 1.56889324e-03 -3.47620367e-04 -2.03298207e-04] [-1.56889324e-03 3.47620367e-04 -2.03298207e-04] [ 5.16337537e-04 1.35756408e-03 -1.94144788e-03] [-5.16337537e-04 -1.35756408e-03 -1.94144788e-03] [-2.22044605e-15 -2.45914400e-14 3.12250226e-14] [ 1.13177696e-14 -5.96308400e-15 7.05974896e-15] [ 5.43464861e-04 -1.57804735e-03 -1.56762209e-03] [-5.43464861e-04 1.57804735e-03 -1.56762209e-03] [ 5.43464861e-04 -1.57804735e-03 1.56762209e-03] [-5.43464861e-04 1.57804735e-03 1.56762209e-03] [ 1.16832845e-05 4.52844075e-04 4.37141657e-04] [ 1.16832845e-05 4.52844075e-04 -4.37141657e-04] [-1.16832846e-05 -4.52844075e-04 4.37141657e-04] [-1.16832846e-05 -4.52844075e-04 -4.37141657e-04] [ 1.96756642e-03 2.35835905e-03 3.55271368e-14] [ 1.91935737e-03 -1.48123122e-03 2.37934672e-14] [-1.91935737e-03 1.48123122e-03 -7.63104857e-15] [-1.96756642e-03 -2.35835905e-03 -1.60132324e-14] [ 5.43464861e-04 -1.57804735e-03 -1.56762209e-03] [-5.43464861e-04 1.57804735e-03 -1.56762209e-03] [ 5.43464861e-04 -1.57804735e-03 1.56762209e-03] [-5.43464861e-04 1.57804735e-03 1.56762209e-03] [ 1.16832846e-05 4.52844075e-04 4.37141657e-04] [ 1.16832846e-05 4.52844075e-04 -4.37141657e-04] [-1.16832846e-05 -4.52844075e-04 4.37141657e-04] [-1.16832846e-05 -4.52844075e-04 -4.37141657e-04] [ 1.96756642e-03 2.35835905e-03 2.26211239e-14] [ 1.91935737e-03 -1.48123122e-03 1.36071574e-14] [-1.91935737e-03 1.48123122e-03 2.65205745e-14] [-1.96756642e-03 -2.35835905e-03 3.51194768e-14]] Final stress: [-2.17082480e-05 -3.68103997e-04 -3.68519865e-04 4.99258931e-18 4.99258931e-18 4.50615527e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.87478768e-03 1.63367510e-03 -6.05418493e-16] [ 2.87478768e-03 -1.63367510e-03 5.38458167e-15] [ 1.73786403e-03 -2.69708654e-04 8.58861593e-15] [-1.73786403e-03 2.69708654e-04 1.88737914e-15] [-1.57599628e-15 -9.46681969e-15 -2.96739803e-04] [-3.94129174e-15 -3.30291350e-15 2.96739803e-04] [-2.87478768e-03 1.63367510e-03 -2.22261445e-15] [ 2.87478768e-03 -1.63367510e-03 -5.36099075e-15] [ 1.73786403e-03 -2.69708654e-04 -7.40756791e-15] [-1.73786403e-03 2.69708654e-04 -3.83381193e-15] [ 1.30711414e-15 1.25312172e-16 -2.96739803e-04] [-2.67364256e-15 -4.53445959e-16 2.96739803e-04] [ 4.92860546e-04 -1.37677029e-03 -1.87600695e-03] [-4.92860546e-04 1.37677029e-03 -1.87600695e-03] [-1.56337058e-03 -3.47875286e-04 -1.17629685e-04] [ 1.56337058e-03 3.47875286e-04 -1.17629685e-04] [ 4.92860546e-04 -1.37677029e-03 1.87600695e-03] [-4.92860546e-04 1.37677029e-03 1.87600695e-03] [ 1.56337058e-03 3.47875286e-04 1.17629685e-04] [-1.56337058e-03 -3.47875286e-04 1.17629685e-04] [ 4.92860546e-04 -1.37677029e-03 -1.87600695e-03] [-4.92860546e-04 1.37677029e-03 -1.87600695e-03] [-1.56337058e-03 -3.47875286e-04 -1.17629685e-04] [ 1.56337058e-03 3.47875286e-04 -1.17629685e-04] [ 4.92860546e-04 -1.37677029e-03 1.87600695e-03] [-4.92860546e-04 1.37677029e-03 1.87600695e-03] [ 1.56337058e-03 3.47875286e-04 1.17629684e-04] [-1.56337058e-03 -3.47875286e-04 1.17629685e-04] [ 1.62925229e-14 -2.53408405e-14 4.61297667e-14] [-1.26630477e-14 -1.28016922e-14 -1.87746970e-15] [-5.87708793e-04 -1.59232746e-03 -1.58155086e-03] [ 5.87708793e-04 1.59232746e-03 -1.58155086e-03] [-5.87708793e-04 -1.59232746e-03 1.58155086e-03] [ 5.87708793e-04 1.59232746e-03 1.58155086e-03] [-1.08401171e-04 -4.97763246e-04 5.06265144e-04] [-1.08401171e-04 -4.97763246e-04 -5.06265144e-04] [ 1.08401171e-04 4.97763246e-04 5.06265144e-04] [ 1.08401171e-04 4.97763246e-04 -5.06265144e-04] [-2.02765947e-03 -1.40306698e-03 -6.43929354e-15] [-1.83590066e-03 2.41790606e-03 1.03562992e-15] [ 1.83590066e-03 -2.41790606e-03 -3.64812347e-15] [ 2.02765947e-03 1.40306698e-03 -6.68388955e-15] [-5.87708793e-04 -1.59232746e-03 -1.58155086e-03] [ 5.87708793e-04 1.59232746e-03 -1.58155086e-03] [-5.87708793e-04 -1.59232746e-03 1.58155086e-03] [ 5.87708793e-04 1.59232746e-03 1.58155086e-03] [-1.08401171e-04 -4.97763246e-04 5.06265144e-04] [-1.08401171e-04 -4.97763246e-04 -5.06265144e-04] [ 1.08401171e-04 4.97763246e-04 5.06265144e-04] [ 1.08401171e-04 4.97763246e-04 -5.06265144e-04] [-2.02765947e-03 -1.40306698e-03 4.75159677e-14] [-1.83590066e-03 2.41790606e-03 5.52569397e-14] [ 1.83590066e-03 -2.41790606e-03 1.59743841e-14] [ 2.02765947e-03 1.40306698e-03 1.95616093e-14]] Final stress: [-2.06709997e-05 -3.67850868e-04 -3.68268143e-04 2.49629465e-17 1.33135715e-17 -4.49559874e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.39639040e-02 -1.69937849e-15 2.54528169e-13] [-3.39639040e-02 -1.38805634e-13 9.62285807e-14] [-4.55555732e-14 1.09383732e-01 5.18392620e-13] [ 4.42701431e-14 -1.09383732e-01 2.10859108e-13] [-3.34879693e-14 -1.74127206e-14 3.39639040e-02] [ 1.90819582e-13 -8.26283486e-14 -3.39639040e-02] [ 3.39639040e-02 1.58794852e-13 -1.76520653e-14] [-3.39639040e-02 1.74021821e-13 2.54614922e-14] [-1.44544966e-13 1.09383732e-01 -1.97319984e-13] [ 3.86240519e-14 -1.09383732e-01 -5.73759530e-14] [-1.27376842e-13 2.45452736e-13 3.39639040e-02] [-1.22218208e-13 5.03571235e-14 -3.39639040e-02] [ 2.02043521e-02 9.83376643e-03 2.02043521e-02] [-2.02043521e-02 -9.83376642e-03 2.02043521e-02] [-2.02043521e-02 9.83376642e-03 -2.02043521e-02] [ 2.02043521e-02 -9.83376642e-03 -2.02043521e-02] [ 2.02043521e-02 9.83376642e-03 -2.02043521e-02] [-2.02043521e-02 -9.83376642e-03 -2.02043521e-02] [ 2.02043521e-02 -9.83376642e-03 2.02043521e-02] [-2.02043521e-02 9.83376643e-03 2.02043521e-02] [ 2.02043521e-02 9.83376642e-03 2.02043521e-02] [-2.02043521e-02 -9.83376642e-03 2.02043521e-02] [-2.02043521e-02 9.83376643e-03 -2.02043521e-02] [ 2.02043521e-02 -9.83376642e-03 -2.02043521e-02] [ 2.02043521e-02 9.83376643e-03 -2.02043521e-02] [-2.02043521e-02 -9.83376643e-03 -2.02043521e-02] [ 2.02043521e-02 -9.83376642e-03 2.02043521e-02] [-2.02043521e-02 9.83376642e-03 2.02043521e-02] [ 5.12812015e-13 -3.52134988e-13 1.83014714e-12] [-2.42835266e-14 -1.33586332e-12 -5.94568479e-13] [-1.01851860e-12 4.26605558e-02 3.59288135e-02] [-1.05149570e-12 -4.26605558e-02 3.59288135e-02] [-8.55608986e-13 4.26605558e-02 -3.59288135e-02] [-8.50760434e-13 -4.26605558e-02 -3.59288135e-02] [ 5.34877454e-02 -7.97584221e-13 5.34877454e-02] [ 5.34877454e-02 -1.28763493e-12 -5.34877454e-02] [-5.34877454e-02 -9.53818621e-13 5.34877454e-02] [-5.34877454e-02 -9.04204555e-13 -5.34877454e-02] [ 3.59288135e-02 4.26605558e-02 -3.15192317e-13] [-3.59288135e-02 4.26605558e-02 -8.35583339e-13] [ 3.59288135e-02 -4.26605558e-02 -3.78563500e-13] [-3.59288135e-02 -4.26605558e-02 -4.45416273e-13] [ 1.54846622e-13 4.26605558e-02 3.59288135e-02] [ 5.00858036e-13 -4.26605558e-02 3.59288135e-02] [ 5.23524800e-13 4.26605558e-02 -3.59288135e-02] [ 5.18807219e-13 -4.26605558e-02 -3.59288135e-02] [ 5.34877454e-02 -3.18964059e-13 5.34877454e-02] [ 5.34877454e-02 2.31534193e-13 -5.34877454e-02] [-5.34877454e-02 -5.60547268e-13 5.34877454e-02] [-5.34877454e-02 1.28346118e-13 -5.34877454e-02] [ 3.59288135e-02 4.26605558e-02 4.36533664e-13] [-3.59288135e-02 4.26605558e-02 5.20853816e-13] [ 3.59288135e-02 -4.26605558e-02 3.96991820e-13] [-3.59288135e-02 -4.26605558e-02 -2.61335224e-13]] Final stress: [ 9.31617864e-04 -1.99474998e-03 9.31617864e-04 6.83595406e-16 -0.00000000e+00 5.64132131e-17] Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.84197358e-02 2.59132993e-14 2.95575196e-14] [-1.84197358e-02 5.47339951e-14 -3.55826479e-14] [ 2.56925557e-14 2.52652549e-02 -4.57095299e-14] [-7.70494779e-14 -2.52652549e-02 7.06656955e-14] [-1.42936878e-14 1.76247905e-14 2.52652549e-02] [ 6.85007606e-14 9.76996262e-15 -2.52652549e-02] [ 1.84197358e-02 2.01583542e-14 -1.09781615e-14] [-1.84197358e-02 6.33317183e-14 -6.92519915e-14] [ 3.47655932e-14 2.52652549e-02 1.39969284e-14] [ 8.12717948e-16 -2.52652549e-02 -1.74933674e-14] [ 2.59254423e-14 -6.46599649e-14 2.52652549e-02] [ 1.10306729e-14 1.62878253e-14 -2.52652549e-02] [ 5.48083583e-03 -1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 -1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 -1.12101319e-03 1.12101319e-03] [-5.48083583e-03 1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 -1.12101319e-03 -1.12101319e-03] [ 5.48083583e-03 -1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 -1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 -1.12101319e-03 1.12101319e-03] [-5.48083583e-03 1.12101319e-03 1.12101319e-03] [ 5.48083583e-03 1.12101319e-03 -1.12101319e-03] [-5.48083583e-03 -1.12101319e-03 -1.12101319e-03] [ 2.22655228e-13 -3.59157148e-13 2.36421993e-13] [-1.02921144e-14 -1.68270012e-13 -2.35497910e-13] [-1.46882506e-13 -4.57325964e-03 -4.57325964e-03] [-1.86517468e-14 4.57325964e-03 -4.57325964e-03] [ 9.38658873e-14 -4.57325964e-03 4.57325964e-03] [ 1.73033463e-13 4.57325964e-03 4.57325964e-03] [ 6.54145727e-03 -1.70641279e-13 -8.08387950e-03] [ 6.54145727e-03 -6.63288868e-14 8.08387950e-03] [-6.54145727e-03 -2.19079963e-13 -8.08387950e-03] [-6.54145726e-03 -6.62664368e-15 8.08387950e-03] [ 6.54145726e-03 -8.08387950e-03 3.04978265e-13] [-6.54145726e-03 -8.08387950e-03 1.46903323e-13] [ 6.54145726e-03 8.08387950e-03 1.38574915e-13] [-6.54145727e-03 8.08387950e-03 -2.48755877e-13] [-1.23334502e-14 -4.57325964e-03 -4.57325964e-03] [-6.57191315e-14 4.57325964e-03 -4.57325964e-03] [ 4.94435222e-14 -4.57325964e-03 4.57325964e-03] [-1.80602928e-13 4.57325964e-03 4.57325964e-03] [ 6.54145727e-03 -1.08526686e-13 -8.08387950e-03] [ 6.54145727e-03 -6.84097961e-13 8.08387950e-03] [-6.54145727e-03 -8.19552759e-14 -8.08387950e-03] [-6.54145726e-03 -1.31412242e-13 8.08387950e-03] [ 6.54145727e-03 -8.08387950e-03 3.20481620e-13] [-6.54145727e-03 -8.08387950e-03 3.15424861e-13] [ 6.54145727e-03 8.08387950e-03 3.93501458e-13] [-6.54145727e-03 8.08387950e-03 3.46018787e-13]] Final stress: [ 1.04404207e-03 3.02719369e-04 3.02719369e-04 -1.46010524e-16 1.16144735e-16 3.81618414e-17] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.35561005e-04 1.24843712e-13 5.44022292e-14] [-3.35561006e-04 1.25149890e-13 -2.75057754e-14] [-6.92501612e-15 -1.46031900e-02 4.53716925e-15] [-1.41386902e-13 1.46031900e-02 -1.92706961e-13] [-1.57591388e-13 -4.69728423e-14 -1.46031900e-02] [-1.64424030e-13 3.69704267e-14 1.46031900e-02] [ 3.35561006e-04 2.23113628e-13 4.65892596e-14] [-3.35561006e-04 5.27538083e-14 2.39749708e-14] [-6.01337556e-14 -1.46031900e-02 -1.77306987e-14] [ 1.49784265e-13 1.46031900e-02 -7.94903390e-14] [ 3.76972759e-14 -5.58445406e-14 -1.46031900e-02] [-5.22065030e-14 -2.03827400e-14 1.46031900e-02] [-7.46586445e-03 -9.42322632e-04 -9.42322632e-04] [ 7.46586445e-03 9.42322632e-04 -9.42322632e-04] [ 7.46586445e-03 -9.42322632e-04 9.42322632e-04] [-7.46586445e-03 9.42322633e-04 9.42322632e-04] [-7.46586445e-03 -9.42322632e-04 9.42322632e-04] [ 7.46586445e-03 9.42322632e-04 9.42322632e-04] [-7.46586445e-03 9.42322632e-04 -9.42322632e-04] [ 7.46586445e-03 -9.42322632e-04 -9.42322632e-04] [-7.46586445e-03 -9.42322633e-04 -9.42322632e-04] [ 7.46586445e-03 9.42322632e-04 -9.42322632e-04] [ 7.46586445e-03 -9.42322632e-04 9.42322632e-04] [-7.46586445e-03 9.42322632e-04 9.42322632e-04] [-7.46586445e-03 -9.42322633e-04 9.42322632e-04] [ 7.46586445e-03 9.42322632e-04 9.42322632e-04] [-7.46586445e-03 9.42322632e-04 -9.42322633e-04] [ 7.46586445e-03 -9.42322632e-04 -9.42322632e-04] [ 3.10557136e-13 1.77080572e-14 7.91589017e-14] [-7.03426033e-14 3.00951463e-14 1.79861264e-13] [ 3.55271368e-14 3.10584957e-03 3.10584957e-03] [-7.77433673e-14 -3.10584957e-03 3.10584957e-03] [-5.24476296e-14 3.10584957e-03 -3.10584957e-03] [-1.21866059e-13 -3.10584957e-03 -3.10584957e-03] [-2.67889173e-03 1.60316205e-13 -3.93937751e-03] [-2.67889173e-03 -2.12364848e-14 3.93937751e-03] [ 2.67889173e-03 -1.15452786e-13 -3.93937751e-03] [ 2.67889173e-03 2.94347879e-14 3.93937751e-03] [-2.67889173e-03 -3.93937751e-03 -1.31783473e-13] [ 2.67889173e-03 -3.93937751e-03 -1.21997898e-13] [-2.67889173e-03 3.93937751e-03 9.28684213e-14] [ 2.67889173e-03 3.93937751e-03 1.37563572e-15] [ 1.63997722e-13 3.10584957e-03 3.10584957e-03] [ 9.40003284e-14 -3.10584957e-03 3.10584957e-03] [ 4.37707596e-13 3.10584957e-03 -3.10584957e-03] [ 1.53396826e-13 -3.10584957e-03 -3.10584957e-03] [-2.67889173e-03 -1.53068186e-13 -3.93937751e-03] [-2.67889173e-03 -5.39290834e-14 3.93937751e-03] [ 2.67889173e-03 -2.47765784e-13 -3.93937751e-03] [ 2.67889173e-03 2.29867340e-13 3.93937751e-03] [-2.67889173e-03 -3.93937751e-03 3.86036681e-13] [ 2.67889173e-03 -3.93937751e-03 3.14698937e-13] [-2.67889173e-03 3.93937751e-03 5.23074205e-13] [ 2.67889173e-03 3.93937751e-03 7.43706312e-14]] Final stress: [-9.34629465e-04 -2.02493153e-04 -2.02493153e-04 2.66537701e-17 4.29792043e-16 2.41549791e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.79823414e-04 4.85852678e-15 1.56242207e-14] [-6.79823414e-04 2.08166817e-15 1.73749903e-14] [-1.04070398e-14 4.56990913e-03 -1.16847255e-03] [-2.91433544e-15 -4.56990913e-03 1.16847255e-03] [ 4.62303806e-16 -9.70063466e-04 7.82412688e-04] [ 7.85482790e-15 9.70063466e-04 -7.82412688e-04] [ 6.79823414e-04 -5.54070678e-15 -1.33981673e-14] [-6.79823414e-04 1.69426105e-14 -1.16856521e-14] [-3.12250226e-15 4.56990913e-03 -1.16847255e-03] [-1.04543110e-14 -4.56990913e-03 1.16847255e-03] [-2.13587828e-14 -9.70063466e-04 7.82412688e-04] [-7.69610070e-15 9.70063466e-04 -7.82412688e-04] [ 3.80649358e-03 -8.26958388e-04 1.69642550e-03] [ 1.24334511e-03 1.48637968e-03 9.60507637e-04] [ 1.24334511e-03 -1.48637968e-03 -9.60507637e-04] [ 3.80649357e-03 8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 -1.48637968e-03 -9.60507637e-04] [-3.80649358e-03 8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 1.48637968e-03 9.60507637e-04] [-3.80649358e-03 -8.26958388e-04 1.69642550e-03] [ 3.80649357e-03 -8.26958388e-04 1.69642550e-03] [ 1.24334511e-03 1.48637968e-03 9.60507637e-04] [ 1.24334511e-03 -1.48637968e-03 -9.60507637e-04] [ 3.80649358e-03 8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 -1.48637968e-03 -9.60507637e-04] [-3.80649358e-03 8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 1.48637968e-03 9.60507637e-04] [-3.80649358e-03 -8.26958388e-04 1.69642550e-03] [ 7.69939668e-14 2.04003481e-14 1.01918474e-13] [-5.53294389e-14 -8.23633980e-14 -6.83122531e-15] [ 6.26165786e-14 2.96858242e-03 3.44487182e-03] [ 3.54646867e-14 3.44249741e-03 -3.12631714e-03] [ 8.23299762e-15 -3.44249741e-03 3.12631714e-03] [ 2.83419122e-14 -2.96858242e-03 -3.44487182e-03] [ 2.27649130e-03 1.57882583e-03 2.27258230e-03] [ 2.27649130e-03 -1.57882583e-03 -2.27258230e-03] [-2.27649130e-03 1.57882583e-03 2.27258230e-03] [-2.27649130e-03 -1.57882583e-03 -2.27258230e-03] [ 1.49100937e-04 -2.49440224e-04 1.73890251e-03] [-1.49100937e-04 -2.49440224e-04 1.73890251e-03] [ 1.49100937e-04 2.49440224e-04 -1.73890251e-03] [-1.49100937e-04 2.49440224e-04 -1.73890251e-03] [-1.70839905e-14 2.96858242e-03 3.44487182e-03] [-2.19650687e-14 3.44249741e-03 -3.12631714e-03] [-3.15268645e-14 -3.44249741e-03 3.12631714e-03] [ 1.09491409e-14 -2.96858242e-03 -3.44487182e-03] [ 2.27649130e-03 1.57882583e-03 2.27258230e-03] [ 2.27649130e-03 -1.57882583e-03 -2.27258230e-03] [-2.27649130e-03 1.57882583e-03 2.27258230e-03] [-2.27649130e-03 -1.57882583e-03 -2.27258230e-03] [ 1.49100937e-04 -2.49440224e-04 1.73890251e-03] [-1.49100937e-04 -2.49440224e-04 1.73890251e-03] [ 1.49100937e-04 2.49440224e-04 -1.73890251e-03] [-1.49100937e-04 2.49440224e-04 -1.73890251e-03]] Final stress: [ 3.73436912e-04 -2.32347720e-05 3.74320804e-04 4.51746590e-04 -3.15565559e-17 -2.32521991e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.79823414e-04 7.06856448e-15 5.44659803e-15] [-6.79823414e-04 3.24740235e-15 7.54951657e-15] [-1.60678762e-15 4.56990913e-03 1.16847255e-03] [ 1.47104551e-15 -4.56990913e-03 -1.16847255e-03] [ 2.80123147e-14 9.70063466e-04 7.82412688e-04] [ 2.90600877e-14 -9.70063466e-04 -7.82412688e-04] [ 6.79823414e-04 -9.27383170e-15 -6.28929587e-16] [-6.79823414e-04 1.05102559e-14 3.05722947e-15] [ 1.20736754e-15 4.56990913e-03 1.16847255e-03] [-7.06726344e-15 -4.56990913e-03 -1.16847255e-03] [ 1.70571023e-14 9.70063466e-04 7.82412688e-04] [ 6.49610574e-15 -9.70063466e-04 -7.82412688e-04] [-1.24334511e-03 -1.48637968e-03 9.60507636e-04] [-3.80649357e-03 8.26958388e-04 1.69642550e-03] [-3.80649357e-03 -8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 1.48637968e-03 -9.60507636e-04] [ 3.80649357e-03 -8.26958388e-04 -1.69642550e-03] [ 1.24334511e-03 1.48637968e-03 -9.60507636e-04] [ 3.80649357e-03 8.26958388e-04 1.69642550e-03] [ 1.24334511e-03 -1.48637968e-03 9.60507636e-04] [-1.24334511e-03 -1.48637968e-03 9.60507636e-04] [-3.80649357e-03 8.26958388e-04 1.69642550e-03] [-3.80649357e-03 -8.26958388e-04 -1.69642550e-03] [-1.24334511e-03 1.48637968e-03 -9.60507636e-04] [ 3.80649357e-03 -8.26958388e-04 -1.69642550e-03] [ 1.24334511e-03 1.48637968e-03 -9.60507636e-04] [ 3.80649357e-03 8.26958388e-04 1.69642550e-03] [ 1.24334511e-03 -1.48637968e-03 9.60507636e-04] [ 9.58677582e-14 1.05748743e-14 3.40560913e-14] [-8.19548422e-14 -2.53310004e-14 -8.42862554e-15] [ 2.13162821e-14 -3.44249741e-03 -3.12631713e-03] [-1.63081354e-14 -2.96858242e-03 3.44487182e-03] [ 6.70644096e-15 2.96858242e-03 -3.44487182e-03] [-2.31099861e-14 3.44249741e-03 3.12631713e-03] [ 2.27649129e-03 -1.57882583e-03 2.27258230e-03] [ 2.27649129e-03 1.57882583e-03 -2.27258230e-03] [-2.27649129e-03 -1.57882583e-03 2.27258230e-03] [-2.27649129e-03 1.57882583e-03 -2.27258230e-03] [ 1.49100936e-04 -2.49440224e-04 -1.73890251e-03] [-1.49100936e-04 -2.49440224e-04 -1.73890251e-03] [ 1.49100936e-04 2.49440224e-04 1.73890251e-03] [-1.49100936e-04 2.49440224e-04 1.73890251e-03] [ 7.41594286e-15 -3.44249741e-03 -3.12631713e-03] [ 1.66550801e-14 -2.96858242e-03 3.44487182e-03] [ 4.83562843e-14 2.96858242e-03 -3.44487182e-03] [ 4.53036046e-14 3.44249741e-03 3.12631713e-03] [ 2.27649129e-03 -1.57882583e-03 2.27258230e-03] [ 2.27649129e-03 1.57882583e-03 -2.27258230e-03] [-2.27649129e-03 -1.57882583e-03 2.27258230e-03] [-2.27649129e-03 1.57882583e-03 -2.27258230e-03] [ 1.49100936e-04 -2.49440224e-04 -1.73890251e-03] [-1.49100936e-04 -2.49440224e-04 -1.73890251e-03] [ 1.49100936e-04 2.49440224e-04 1.73890251e-03] [-1.49100936e-04 2.49440224e-04 1.73890251e-03]] Final stress: [ 3.73436912e-04 -2.32347720e-05 3.74320804e-04 -4.51746590e-04 -1.32869709e-17 -9.96522819e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.98089205e-04 -1.80671450e-15 2.87400312e-15] [ 3.98089205e-04 1.44328993e-15 1.27675648e-15] [ 1.37823780e-15 -2.90050358e-03 -1.50214478e-03] [ 1.83186799e-15 2.90050358e-03 1.50214478e-03] [ 1.10892198e-15 -1.60658750e-03 -3.72348891e-04] [ 4.57966998e-15 1.60658750e-03 3.72348891e-04] [-3.98089205e-04 -7.87564458e-16 2.05590058e-15] [ 3.98089205e-04 1.63888000e-15 -4.10639625e-15] [-8.35269354e-15 -2.90050358e-03 -1.50214478e-03] [-2.00750874e-15 2.90050358e-03 1.50214478e-03] [-7.92465052e-15 -1.60658750e-03 -3.72348891e-04] [-4.49380116e-15 1.60658750e-03 3.72348891e-04] [ 2.25143578e-04 1.57104015e-03 -3.47148582e-04] [ 1.95830205e-03 -5.22058283e-04 -1.35326257e-03] [ 1.95830205e-03 5.22058283e-04 1.35326257e-03] [ 2.25143578e-04 -1.57104015e-03 3.47148582e-04] [-1.95830205e-03 5.22058283e-04 1.35326257e-03] [-2.25143578e-04 -1.57104015e-03 3.47148582e-04] [-1.95830205e-03 -5.22058283e-04 -1.35326257e-03] [-2.25143578e-04 1.57104015e-03 -3.47148582e-04] [ 2.25143578e-04 1.57104015e-03 -3.47148582e-04] [ 1.95830205e-03 -5.22058283e-04 -1.35326257e-03] [ 1.95830205e-03 5.22058283e-04 1.35326257e-03] [ 2.25143577e-04 -1.57104015e-03 3.47148582e-04] [-1.95830205e-03 5.22058283e-04 1.35326257e-03] [-2.25143578e-04 -1.57104015e-03 3.47148582e-04] [-1.95830205e-03 -5.22058283e-04 -1.35326257e-03] [-2.25143578e-04 1.57104015e-03 -3.47148582e-04] [ 4.77673456e-14 -3.44446693e-14 6.66133815e-15] [-3.13885203e-14 1.14655177e-14 -1.79209975e-14] [-1.86517468e-14 2.00059255e-03 2.34536225e-03] [-1.76785669e-14 1.89385020e-03 -1.50064642e-03] [-2.13891405e-14 -1.89385020e-03 1.50064642e-03] [ 7.38471784e-15 -2.00059255e-03 -2.34536225e-03] [-1.56422149e-03 5.31495988e-04 -1.57456320e-03] [-1.56422149e-03 -5.31495988e-04 1.57456320e-03] [ 1.56422149e-03 5.31495988e-04 -1.57456320e-03] [ 1.56422149e-03 -5.31495988e-04 1.57456320e-03] [ 4.20866464e-04 4.09687631e-05 4.40728084e-04] [-4.20866464e-04 4.09687631e-05 4.40728084e-04] [ 4.20866464e-04 -4.09687631e-05 -4.40728084e-04] [-4.20866464e-04 -4.09687630e-05 -4.40728084e-04] [ 3.01998010e-14 2.00059255e-03 2.34536225e-03] [ 3.60102573e-14 1.89385020e-03 -1.50064642e-03] [ 4.00981331e-14 -1.89385020e-03 1.50064642e-03] [ 2.95384377e-14 -2.00059255e-03 -2.34536225e-03] [-1.56422149e-03 5.31495988e-04 -1.57456320e-03] [-1.56422149e-03 -5.31495988e-04 1.57456320e-03] [ 1.56422149e-03 5.31495988e-04 -1.57456320e-03] [ 1.56422149e-03 -5.31495988e-04 1.57456320e-03] [ 4.20866464e-04 4.09687629e-05 4.40728084e-04] [-4.20866464e-04 4.09687630e-05 4.40728084e-04] [ 4.20866464e-04 -4.09687630e-05 -4.40728084e-04] [-4.20866464e-04 -4.09687630e-05 -4.40728084e-04]] Final stress: [-3.68590123e-04 -2.19536397e-05 -3.68174431e-04 4.50875223e-04 1.16493751e-17 -1.66419644e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.12933396e-04 -2.59558000e-15 5.78747120e-15] [ 3.12933396e-04 1.94289029e-15 -2.77555756e-16] [ 4.31078784e-15 -2.88509343e-03 1.58083918e-03] [ 4.71844785e-16 2.88509343e-03 -1.58083918e-03] [-4.03843625e-15 1.68488655e-03 -2.85847849e-04] [ 3.55271368e-15 -1.68488655e-03 2.85847849e-04] [-3.12933396e-04 -4.11259568e-15 -3.64550571e-15] [ 3.12933396e-04 -3.66980751e-15 -9.96072629e-16] [-5.68945932e-15 -2.88509343e-03 1.58083918e-03] [-2.59861577e-15 2.88509343e-03 -1.58083918e-03] [-6.50738144e-15 1.68488655e-03 -2.85847849e-04] [-5.69076036e-15 -1.68488655e-03 2.85847849e-04] [-1.90637805e-03 5.08800710e-04 -1.36313729e-03] [-1.53797310e-04 -1.55859525e-03 -3.55552799e-04] [-1.53797310e-04 1.55859525e-03 3.55552799e-04] [-1.90637805e-03 -5.08800710e-04 1.36313729e-03] [ 1.53797310e-04 1.55859525e-03 3.55552799e-04] [ 1.90637805e-03 -5.08800710e-04 1.36313729e-03] [ 1.53797310e-04 -1.55859525e-03 -3.55552799e-04] [ 1.90637805e-03 5.08800710e-04 -1.36313729e-03] [-1.90637805e-03 5.08800710e-04 -1.36313729e-03] [-1.53797310e-04 -1.55859525e-03 -3.55552799e-04] [-1.53797310e-04 1.55859525e-03 3.55552799e-04] [-1.90637805e-03 -5.08800710e-04 1.36313729e-03] [ 1.53797310e-04 1.55859525e-03 3.55552799e-04] [ 1.90637805e-03 -5.08800710e-04 1.36313729e-03] [ 1.53797310e-04 -1.55859525e-03 -3.55552799e-04] [ 1.90637805e-03 5.08800710e-04 -1.36313729e-03] [ 3.63875596e-14 -2.60902411e-15 3.82194276e-14] [-3.64465402e-14 -1.68736553e-14 5.06190542e-15] [ 5.55111512e-16 -2.06782424e-03 -1.34181281e-03] [-7.52176099e-15 -1.78751657e-03 2.47252214e-03] [-5.34988720e-15 1.78751657e-03 -2.47252214e-03] [-9.57914303e-15 2.06782424e-03 1.34181281e-03] [-1.56846350e-03 -5.84258208e-04 -1.57957312e-03] [-1.56846350e-03 5.84258208e-04 1.57957312e-03] [ 1.56846350e-03 -5.84258208e-04 -1.57957312e-03] [ 1.56846350e-03 5.84258208e-04 1.57957312e-03] [ 5.64405064e-04 -1.52800327e-04 -4.94912150e-04] [-5.64405064e-04 -1.52800327e-04 -4.94912150e-04] [ 5.64405064e-04 1.52800327e-04 4.94912150e-04] [-5.64405064e-04 1.52800327e-04 4.94912150e-04] [ 1.63324215e-14 -2.06782424e-03 -1.34181281e-03] [ 1.09066402e-14 -1.78751657e-03 2.47252214e-03] [ 4.54822811e-14 1.78751657e-03 -2.47252214e-03] [ 3.27212216e-14 2.06782424e-03 1.34181281e-03] [-1.56846350e-03 -5.84258208e-04 -1.57957312e-03] [-1.56846350e-03 5.84258208e-04 1.57957312e-03] [ 1.56846350e-03 -5.84258208e-04 -1.57957312e-03] [ 1.56846350e-03 5.84258208e-04 1.57957312e-03] [ 5.64405064e-04 -1.52800327e-04 -4.94912150e-04] [-5.64405064e-04 -1.52800327e-04 -4.94912150e-04] [ 5.64405064e-04 1.52800327e-04 4.94912150e-04] [-5.64405064e-04 1.52800327e-04 4.94912150e-04]] Final stress: [-3.68513442e-04 -2.08281053e-05 -3.68097476e-04 -4.50111234e-04 -1.66419644e-18 1.66419644e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.96755222e-04 6.32306707e-15 -1.19103970e-03] [-8.96755222e-04 3.43336470e-14 1.19103970e-03] [ 2.32179727e-14 5.50887699e-03 -1.97186018e-14] [ 3.23907567e-14 -5.50887699e-03 2.74780199e-15] [-1.19103970e-03 4.84681739e-15 8.96755222e-04] [ 1.19103970e-03 -1.43218770e-14 -8.96755222e-04] [ 8.96755222e-04 1.23573027e-14 -1.19103970e-03] [-8.96755222e-04 1.84964891e-15 1.19103970e-03] [-4.05348498e-14 5.50887699e-03 -6.75782155e-15] [-6.47225329e-15 -5.50887699e-03 -1.58205930e-14] [-1.19103970e-03 -1.92042281e-14 8.96755222e-04] [ 1.19103970e-03 -1.33064400e-14 -8.96755222e-04] [ 1.98999323e-03 2.02108964e-03 1.98999323e-03] [-1.32589795e-03 4.60985066e-03 1.32589795e-03] [-1.98999323e-03 2.02108964e-03 -1.98999323e-03] [ 1.32589795e-03 4.60985066e-03 -1.32589795e-03] [ 1.32589795e-03 -4.60985066e-03 -1.32589795e-03] [-1.98999323e-03 -2.02108964e-03 -1.98999323e-03] [ 1.98999323e-03 -2.02108964e-03 1.98999323e-03] [-1.32589795e-03 -4.60985066e-03 1.32589795e-03] [ 1.98999323e-03 2.02108964e-03 1.98999323e-03] [-1.32589795e-03 4.60985066e-03 1.32589795e-03] [-1.98999323e-03 2.02108964e-03 -1.98999323e-03] [ 1.32589795e-03 4.60985066e-03 -1.32589795e-03] [ 1.32589795e-03 -4.60985066e-03 -1.32589795e-03] [-1.98999323e-03 -2.02108964e-03 -1.98999323e-03] [ 1.98999323e-03 -2.02108964e-03 1.98999323e-03] [-1.32589795e-03 -4.60985066e-03 1.32589795e-03] [ 7.01105840e-14 -5.82034421e-14 1.08385523e-13] [-5.68013518e-14 -5.53005046e-15 -2.87321521e-14] [ 2.47638598e-03 -2.44237909e-04 5.11193677e-04] [ 2.47638598e-03 2.44237909e-04 5.11193677e-04] [-2.47638598e-03 -2.44237910e-04 -5.11193677e-04] [-2.47638598e-03 2.44237909e-04 -5.11193677e-04] [ 6.86882217e-03 -1.40221168e-13 6.86882217e-03] [-1.21515267e-03 2.67511707e-14 1.21515267e-03] [ 1.21515267e-03 -1.64059738e-13 -1.21515267e-03] [-6.86882217e-03 -5.87203897e-14 -6.86882217e-03] [ 5.11193677e-04 -2.44237910e-04 2.47638598e-03] [-5.11193677e-04 -2.44237910e-04 -2.47638598e-03] [ 5.11193677e-04 2.44237909e-04 2.47638598e-03] [-5.11193677e-04 2.44237910e-04 -2.47638598e-03] [ 2.47638598e-03 -2.44237910e-04 5.11193677e-04] [ 2.47638598e-03 2.44237910e-04 5.11193677e-04] [-2.47638598e-03 -2.44237909e-04 -5.11193677e-04] [-2.47638598e-03 2.44237910e-04 -5.11193677e-04] [ 6.86882217e-03 4.42513483e-14 6.86882217e-03] [-1.21515267e-03 -3.84772509e-14 1.21515267e-03] [ 1.21515267e-03 -1.30958612e-14 -1.21515267e-03] [-6.86882217e-03 -1.10289382e-14 -6.86882217e-03] [ 5.11193677e-04 -2.44237909e-04 2.47638598e-03] [-5.11193677e-04 -2.44237910e-04 -2.47638598e-03] [ 5.11193677e-04 2.44237910e-04 2.47638598e-03] [-5.11193677e-04 2.44237910e-04 -2.47638598e-03]] Final stress: [ 3.79041405e-04 -5.99846596e-05 3.79041405e-04 1.66087137e-18 4.51378696e-04 -5.31478837e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.96755222e-04 7.21211285e-15 1.19103970e-03] [-8.96755222e-04 -1.18793864e-14 -1.19103970e-03] [ 1.72873868e-14 5.50887700e-03 -7.01348701e-15] [ 3.09752224e-14 -5.50887700e-03 -1.78745907e-14] [ 1.19103970e-03 -2.42011272e-14 8.96755222e-04] [-1.19103970e-03 -1.66811009e-14 -8.96755222e-04] [ 8.96755222e-04 2.61132262e-14 1.19103970e-03] [-8.96755222e-04 2.30787611e-14 -1.19103970e-03] [-1.04040040e-14 5.50887700e-03 3.01022774e-14] [-1.11195775e-15 -5.50887700e-03 -2.67493682e-15] [ 1.19103970e-03 -1.30250084e-14 8.96755223e-04] [-1.19103970e-03 -7.92249902e-15 -8.96755222e-04] [ 1.32589795e-03 -4.60985066e-03 1.32589795e-03] [-1.98999323e-03 -2.02108964e-03 1.98999323e-03] [-1.32589795e-03 -4.60985066e-03 -1.32589795e-03] [ 1.98999323e-03 -2.02108964e-03 -1.98999323e-03] [ 1.98999323e-03 2.02108964e-03 -1.98999323e-03] [-1.32589795e-03 4.60985066e-03 -1.32589795e-03] [ 1.32589795e-03 4.60985066e-03 1.32589795e-03] [-1.98999323e-03 2.02108964e-03 1.98999323e-03] [ 1.32589795e-03 -4.60985066e-03 1.32589795e-03] [-1.98999323e-03 -2.02108964e-03 1.98999323e-03] [-1.32589795e-03 -4.60985066e-03 -1.32589795e-03] [ 1.98999323e-03 -2.02108964e-03 -1.98999323e-03] [ 1.98999323e-03 2.02108964e-03 -1.98999323e-03] [-1.32589795e-03 4.60985066e-03 -1.32589795e-03] [ 1.32589795e-03 4.60985066e-03 1.32589795e-03] [-1.98999323e-03 2.02108964e-03 1.98999323e-03] [ 1.07136522e-14 8.38218384e-15 8.57092175e-14] [-6.17127877e-15 -1.98317925e-14 -5.43780168e-14] [-2.47638599e-03 -2.44237909e-04 5.11193679e-04] [-2.47638599e-03 2.44237909e-04 5.11193679e-04] [ 2.47638599e-03 -2.44237909e-04 -5.11193679e-04] [ 2.47638599e-03 2.44237909e-04 -5.11193679e-04] [-1.21515267e-03 -6.69464484e-14 -1.21515267e-03] [ 6.86882218e-03 -4.74221357e-14 -6.86882218e-03] [-6.86882218e-03 -3.01321468e-14 6.86882218e-03] [ 1.21515267e-03 -3.80338122e-14 1.21515267e-03] [ 5.11193679e-04 -2.44237909e-04 -2.47638598e-03] [-5.11193679e-04 -2.44237909e-04 2.47638599e-03] [ 5.11193679e-04 2.44237909e-04 -2.47638599e-03] [-5.11193679e-04 2.44237909e-04 2.47638598e-03] [-2.47638599e-03 -2.44237909e-04 5.11193679e-04] [-2.47638599e-03 2.44237909e-04 5.11193679e-04] [ 2.47638599e-03 -2.44237909e-04 -5.11193679e-04] [ 2.47638599e-03 2.44237909e-04 -5.11193679e-04] [-1.21515267e-03 -5.70202911e-14 -1.21515267e-03] [ 6.86882218e-03 -8.22902944e-14 -6.86882218e-03] [-6.86882218e-03 -2.37852273e-14 6.86882218e-03] [ 1.21515267e-03 -4.65894684e-14 1.21515267e-03] [ 5.11193679e-04 -2.44237909e-04 -2.47638598e-03] [-5.11193678e-04 -2.44237909e-04 2.47638599e-03] [ 5.11193679e-04 2.44237909e-04 -2.47638599e-03] [-5.11193679e-04 2.44237909e-04 2.47638599e-03]] Final stress: [ 3.79041405e-04 -5.99846598e-05 3.79041405e-04 3.15565560e-17 -4.51378696e-04 -1.16260996e-17] Minimization converged after 30 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.82412688e-04 -9.70063466e-04 1.81148499e-15] [-7.82412688e-04 9.70063466e-04 -1.19348975e-15] [-1.16847255e-03 4.56990913e-03 -6.84695356e-15] [ 1.16847255e-03 -4.56990913e-03 -2.23987495e-14] [ 4.95697233e-15 3.25260652e-16 6.79823414e-04] [ 1.36002321e-15 2.35367281e-14 -6.79823414e-04] [ 7.82412688e-04 -9.70063466e-04 -7.81150488e-15] [-7.82412688e-04 9.70063466e-04 -1.88984133e-14] [-1.16847255e-03 4.56990913e-03 -2.26116418e-14] [ 1.16847255e-03 -4.56990913e-03 -1.72103527e-14] [ 2.12850571e-15 -1.45797651e-14 6.79823414e-04] [-7.60676244e-15 -4.32183865e-15 -6.79823414e-04] [ 1.69642550e-03 -8.26958388e-04 3.80649357e-03] [-1.69642550e-03 8.26958388e-04 3.80649357e-03] [-9.60507637e-04 -1.48637968e-03 1.24334511e-03] [ 9.60507637e-04 1.48637968e-03 1.24334511e-03] [ 1.69642550e-03 -8.26958388e-04 -3.80649357e-03] [-1.69642550e-03 8.26958388e-04 -3.80649357e-03] [ 9.60507637e-04 1.48637968e-03 -1.24334511e-03] [-9.60507637e-04 -1.48637968e-03 -1.24334511e-03] [ 1.69642550e-03 -8.26958388e-04 3.80649357e-03] [-1.69642550e-03 8.26958388e-04 3.80649357e-03] [-9.60507637e-04 -1.48637968e-03 1.24334511e-03] [ 9.60507637e-04 1.48637968e-03 1.24334511e-03] [ 1.69642550e-03 -8.26958388e-04 -3.80649357e-03] [-1.69642550e-03 8.26958388e-04 -3.80649357e-03] [ 9.60507637e-04 1.48637968e-03 -1.24334511e-03] [-9.60507637e-04 -1.48637968e-03 -1.24334511e-03] [ 8.44047054e-14 -7.40796313e-14 9.20929999e-14] [-9.69736444e-14 -4.28339928e-14 -2.84149336e-14] [ 1.73890251e-03 -2.49440224e-04 1.49100936e-04] [-1.73890251e-03 2.49440224e-04 1.49100936e-04] [ 1.73890251e-03 -2.49440224e-04 -1.49100936e-04] [-1.73890251e-03 2.49440224e-04 -1.49100937e-04] [ 2.27258230e-03 1.57882583e-03 2.27649130e-03] [ 2.27258230e-03 1.57882583e-03 -2.27649130e-03] [-2.27258230e-03 -1.57882583e-03 2.27649130e-03] [-2.27258230e-03 -1.57882583e-03 -2.27649130e-03] [ 3.44487182e-03 2.96858242e-03 -1.83186799e-14] [ 3.12631713e-03 -3.44249741e-03 -1.81434728e-14] [-3.12631713e-03 3.44249741e-03 1.14144805e-15] [-3.44487182e-03 -2.96858242e-03 -3.55843827e-14] [ 1.73890251e-03 -2.49440224e-04 1.49100937e-04] [-1.73890251e-03 2.49440224e-04 1.49100937e-04] [ 1.73890251e-03 -2.49440224e-04 -1.49100937e-04] [-1.73890251e-03 2.49440224e-04 -1.49100936e-04] [ 2.27258230e-03 1.57882583e-03 2.27649130e-03] [ 2.27258230e-03 1.57882583e-03 -2.27649129e-03] [-2.27258230e-03 -1.57882583e-03 2.27649130e-03] [-2.27258230e-03 -1.57882583e-03 -2.27649130e-03] [ 3.44487182e-03 2.96858242e-03 5.88241679e-14] [ 3.12631713e-03 -3.44249741e-03 9.73801152e-14] [-3.12631713e-03 3.44249741e-03 2.10653943e-14] [-3.44487182e-03 -2.96858242e-03 6.25857872e-14]] Final stress: [ 3.74320804e-04 -2.32347720e-05 3.73436912e-04 -4.31826555e-17 2.82348132e-17 4.51746590e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.82412688e-04 9.70063466e-04 5.54938040e-15] [-7.82412688e-04 -9.70063466e-04 1.57096558e-14] [ 1.16847255e-03 4.56990913e-03 -3.51281504e-17] [-1.16847255e-03 -4.56990913e-03 -6.63358257e-15] [-1.64430101e-14 -2.45662865e-14 6.79823413e-04] [-2.23709939e-14 -1.79301018e-14 -6.79823414e-04] [ 7.82412688e-04 9.70063466e-04 -1.95243127e-15] [-7.82412688e-04 -9.70063466e-04 -8.72599676e-15] [ 1.16847255e-03 4.56990913e-03 -6.06897512e-15] [-1.16847255e-03 -4.56990913e-03 -4.35536945e-15] [-9.16974829e-15 4.38533521e-16 6.79823413e-04] [ 5.92581539e-15 -1.01004516e-14 -6.79823413e-04] [ 9.60507636e-04 -1.48637968e-03 -1.24334511e-03] [-9.60507636e-04 1.48637968e-03 -1.24334511e-03] [-1.69642550e-03 -8.26958387e-04 -3.80649357e-03] [ 1.69642550e-03 8.26958387e-04 -3.80649357e-03] [ 9.60507636e-04 -1.48637968e-03 1.24334511e-03] [-9.60507636e-04 1.48637968e-03 1.24334511e-03] [ 1.69642550e-03 8.26958387e-04 3.80649357e-03] [-1.69642550e-03 -8.26958387e-04 3.80649357e-03] [ 9.60507636e-04 -1.48637968e-03 -1.24334511e-03] [-9.60507636e-04 1.48637968e-03 -1.24334511e-03] [-1.69642550e-03 -8.26958387e-04 -3.80649357e-03] [ 1.69642550e-03 8.26958387e-04 -3.80649357e-03] [ 9.60507636e-04 -1.48637968e-03 1.24334511e-03] [-9.60507636e-04 1.48637968e-03 1.24334511e-03] [ 1.69642550e-03 8.26958387e-04 3.80649357e-03] [-1.69642550e-03 -8.26958387e-04 3.80649357e-03] [ 1.58761893e-14 -1.49047441e-14 6.06181771e-14] [-8.88312861e-14 -1.80965836e-14 -2.12631824e-14] [-1.73890251e-03 -2.49440224e-04 1.49100935e-04] [ 1.73890251e-03 2.49440224e-04 1.49100935e-04] [-1.73890251e-03 -2.49440224e-04 -1.49100935e-04] [ 1.73890251e-03 2.49440224e-04 -1.49100935e-04] [ 2.27258230e-03 -1.57882583e-03 2.27649129e-03] [ 2.27258230e-03 -1.57882583e-03 -2.27649129e-03] [-2.27258230e-03 1.57882583e-03 2.27649129e-03] [-2.27258230e-03 1.57882583e-03 -2.27649129e-03] [-3.12631713e-03 -3.44249741e-03 2.70894418e-14] [-3.44487181e-03 2.96858241e-03 4.80865348e-15] [ 3.44487181e-03 -2.96858241e-03 -1.81764326e-14] [ 3.12631713e-03 3.44249741e-03 -4.03895667e-14] [-1.73890251e-03 -2.49440224e-04 1.49100936e-04] [ 1.73890251e-03 2.49440224e-04 1.49100935e-04] [-1.73890251e-03 -2.49440224e-04 -1.49100936e-04] [ 1.73890251e-03 2.49440224e-04 -1.49100936e-04] [ 2.27258230e-03 -1.57882583e-03 2.27649129e-03] [ 2.27258230e-03 -1.57882583e-03 -2.27649129e-03] [-2.27258230e-03 1.57882583e-03 2.27649129e-03] [-2.27258230e-03 1.57882583e-03 -2.27649129e-03] [-3.12631713e-03 -3.44249741e-03 7.32071789e-14] [-3.44487181e-03 2.96858241e-03 4.78895420e-14] [ 3.44487181e-03 -2.96858241e-03 -1.40904947e-15] [ 3.12631713e-03 3.44249741e-03 2.92734587e-14]] Final stress: [ 3.74320804e-04 -2.32347719e-05 3.73436912e-04 8.30435682e-18 -3.98609128e-17 -4.51746590e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.53133709e-04 -1.61485653e-03 4.24009786e-15] [ 3.53133709e-04 1.61485653e-03 3.19189120e-15] [-1.51055204e-03 -2.89889708e-03 1.29497107e-15] [ 1.51055204e-03 2.89889708e-03 2.60902411e-15] [ 1.53783236e-15 -5.20417043e-18 -3.79245734e-04] [-5.27355937e-16 -5.19029264e-15 3.79245734e-04] [-3.53133709e-04 -1.61485653e-03 6.09067896e-16] [ 3.53133709e-04 1.61485653e-03 -2.98633960e-15] [-1.51055204e-03 -2.89889708e-03 -1.17253788e-15] [ 1.51055204e-03 2.89889708e-03 -7.84587817e-15] [-8.76425668e-15 -2.41125674e-15 -3.79245734e-04] [-5.46958312e-15 2.29717156e-15 3.79245734e-04] [-3.51218576e-04 1.56660368e-03 2.14743613e-04] [ 3.51218576e-04 -1.56660368e-03 2.14743613e-04] [ 1.35266249e-03 5.22325159e-04 1.95171484e-03] [-1.35266249e-03 -5.22325159e-04 1.95171484e-03] [-3.51218576e-04 1.56660368e-03 -2.14743613e-04] [ 3.51218576e-04 -1.56660368e-03 -2.14743613e-04] [-1.35266249e-03 -5.22325159e-04 -1.95171484e-03] [ 1.35266249e-03 5.22325159e-04 -1.95171484e-03] [-3.51218576e-04 1.56660368e-03 2.14743613e-04] [ 3.51218576e-04 -1.56660368e-03 2.14743613e-04] [ 1.35266249e-03 5.22325159e-04 1.95171484e-03] [-1.35266249e-03 -5.22325159e-04 1.95171484e-03] [-3.51218576e-04 1.56660368e-03 -2.14743613e-04] [ 3.51218576e-04 -1.56660368e-03 -2.14743613e-04] [-1.35266249e-03 -5.22325159e-04 -1.95171484e-03] [ 1.35266249e-03 5.22325159e-04 -1.95171484e-03] [ 3.48332474e-14 -5.00433028e-14 3.70536934e-14] [-3.77835783e-14 -9.45830066e-15 -8.00610835e-15] [ 4.54501982e-04 -2.15894409e-05 4.73287086e-04] [-4.54501982e-04 2.15894410e-05 4.73287087e-04] [ 4.54501982e-04 -2.15894410e-05 -4.73287086e-04] [-4.54501982e-04 2.15894410e-05 -4.73287087e-04] [-1.57284969e-03 5.44744187e-04 -1.56222221e-03] [-1.57284969e-03 5.44744187e-04 1.56222221e-03] [ 1.57284969e-03 -5.44744187e-04 -1.56222221e-03] [ 1.57284969e-03 -5.44744187e-04 1.56222221e-03] [ 2.39260036e-03 1.93195535e-03 1.92068583e-14] [ 1.44343137e-03 -1.95013807e-03 -6.37857822e-15] [-1.44343137e-03 1.95013807e-03 8.57126869e-15] [-2.39260036e-03 -1.93195535e-03 -1.84453147e-14] [ 4.54501982e-04 -2.15894411e-05 4.73287087e-04] [-4.54501982e-04 2.15894410e-05 4.73287087e-04] [ 4.54501982e-04 -2.15894411e-05 -4.73287087e-04] [-4.54501982e-04 2.15894411e-05 -4.73287087e-04] [-1.57284969e-03 5.44744187e-04 -1.56222221e-03] [-1.57284969e-03 5.44744187e-04 1.56222221e-03] [ 1.57284969e-03 -5.44744187e-04 -1.56222221e-03] [ 1.57284969e-03 -5.44744187e-04 1.56222221e-03] [ 2.39260036e-03 1.93195535e-03 1.87943149e-14] [ 1.44343137e-03 -1.95013807e-03 2.31739575e-14] [-1.44343137e-03 1.95013807e-03 3.04372277e-14] [-2.39260036e-03 -1.93195535e-03 3.14570418e-14]] Final stress: [-3.68213349e-04 -2.16892698e-05 -3.68628814e-04 3.32839287e-18 9.98517862e-18 4.50802749e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.33774280e-04 1.62708388e-03 2.74346518e-15] [ 3.33774280e-04 -1.62708388e-03 3.10862447e-15] [ 1.52289675e-03 -2.89661592e-03 4.07876857e-15] [-1.52289675e-03 2.89661592e-03 -1.91513472e-15] [ 3.39832329e-15 -6.80445283e-15 -3.60230028e-04] [-1.72084569e-15 -1.88737914e-15 3.60230028e-04] [-3.33774280e-04 1.62708388e-03 -1.17561883e-15] [ 3.33774280e-04 -1.62708388e-03 -6.33165743e-15] [ 1.52289675e-03 -2.89661592e-03 -3.05427910e-15] [-1.52289675e-03 2.89661592e-03 -3.15195977e-15] [-5.09097972e-15 5.92215791e-16 -3.60230028e-04] [-9.67888963e-15 -3.08366283e-15 3.60230028e-04] [-1.35327305e-03 5.21244073e-04 -1.94302865e-03] [ 1.35327305e-03 -5.21244073e-04 -1.94302865e-03] [ 3.54387876e-04 1.56288423e-03 -2.01969737e-04] [-3.54387876e-04 -1.56288423e-03 -2.01969737e-04] [-1.35327305e-03 5.21244073e-04 1.94302865e-03] [ 1.35327305e-03 -5.21244073e-04 1.94302865e-03] [-3.54387876e-04 -1.56288423e-03 2.01969737e-04] [ 3.54387876e-04 1.56288423e-03 2.01969737e-04] [-1.35327305e-03 5.21244073e-04 -1.94302865e-03] [ 1.35327305e-03 -5.21244073e-04 -1.94302865e-03] [ 3.54387876e-04 1.56288423e-03 -2.01969737e-04] [-3.54387876e-04 -1.56288423e-03 -2.01969737e-04] [-1.35327305e-03 5.21244073e-04 1.94302865e-03] [ 1.35327305e-03 -5.21244073e-04 1.94302865e-03] [-3.54387876e-04 -1.56288423e-03 2.01969737e-04] [ 3.54387876e-04 1.56288423e-03 2.01969737e-04] [ 1.12410081e-14 -3.79418719e-14 3.71924713e-14] [-2.30184795e-14 8.00965324e-15 -2.67964238e-15] [-4.67662137e-04 -7.70978384e-05 5.18109445e-04] [ 4.67662137e-04 7.70978385e-05 5.18109445e-04] [-4.67662137e-04 -7.70978385e-05 -5.18109445e-04] [ 4.67662137e-04 7.70978385e-05 -5.18109446e-04] [-1.57229399e-03 -5.57455050e-04 -1.56142374e-03] [-1.57229399e-03 -5.57455050e-04 1.56142374e-03] [ 1.57229399e-03 5.57455050e-04 -1.56142374e-03] [ 1.57229399e-03 5.57455050e-04 1.56142374e-03] [-1.39442514e-03 -2.00015605e-03 -1.35447209e-14] [-2.43290662e-03 1.87111790e-03 -4.16507107e-15] [ 2.43290662e-03 -1.87111790e-03 -1.28785871e-14] [ 1.39442514e-03 2.00015605e-03 -8.59208538e-15] [-4.67662137e-04 -7.70978384e-05 5.18109445e-04] [ 4.67662137e-04 7.70978383e-05 5.18109445e-04] [-4.67662137e-04 -7.70978384e-05 -5.18109445e-04] [ 4.67662137e-04 7.70978383e-05 -5.18109445e-04] [-1.57229399e-03 -5.57455050e-04 -1.56142374e-03] [-1.57229399e-03 -5.57455050e-04 1.56142374e-03] [ 1.57229399e-03 5.57455050e-04 -1.56142374e-03] [ 1.57229399e-03 5.57455050e-04 1.56142374e-03] [-1.39442514e-03 -2.00015605e-03 3.54222573e-14] [-2.43290662e-03 1.87111790e-03 3.75206729e-14] [ 2.43290662e-03 -1.87111790e-03 2.65432953e-14] [ 1.39442514e-03 2.00015605e-03 2.53208912e-14]] Final stress: [-3.68230452e-04 -2.14251101e-05 -3.68645825e-04 6.65678574e-18 1.83061608e-17 -4.50688250e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.39639400e-02 1.33855600e-14 -1.02011065e-13] [-3.39639400e-02 1.70669034e-13 2.45969911e-13] [ 1.36761262e-14 3.39639400e-02 1.59124883e-13] [-2.01172412e-13 -3.39639400e-02 1.66811009e-13] [ 7.16484164e-14 4.92344880e-13 1.09383836e-01] [ 2.40418796e-13 -7.24142968e-14 -1.09383836e-01] [ 3.39639400e-02 2.97896256e-13 2.47939050e-13] [-3.39639400e-02 7.23401374e-14 6.52681701e-14] [ 1.81126815e-14 3.39639400e-02 2.37406655e-13] [ 1.70011141e-13 -3.39639400e-02 1.19485096e-13] [-1.94655056e-13 5.80671002e-14 1.09383836e-01] [-1.15833558e-13 1.83512136e-13 -1.09383836e-01] [ 2.02043659e-02 2.02043659e-02 9.83379863e-03] [-2.02043659e-02 -2.02043659e-02 9.83379863e-03] [-2.02043659e-02 2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 -2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 2.02043659e-02 -9.83379863e-03] [-2.02043659e-02 -2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 -2.02043659e-02 9.83379863e-03] [-2.02043659e-02 2.02043659e-02 9.83379863e-03] [ 2.02043659e-02 2.02043659e-02 9.83379863e-03] [-2.02043659e-02 -2.02043659e-02 9.83379863e-03] [-2.02043659e-02 2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 -2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 2.02043659e-02 -9.83379863e-03] [-2.02043659e-02 -2.02043659e-02 -9.83379863e-03] [ 2.02043659e-02 -2.02043659e-02 9.83379863e-03] [-2.02043659e-02 2.02043659e-02 9.83379863e-03] [ 1.41148204e-12 -2.33146835e-14 -6.10733686e-13] [-1.40193412e-13 -2.62842023e-13 -2.21184881e-13] [-9.31810185e-13 3.59288832e-02 4.26606382e-02] [ 3.57651408e-13 -3.59288832e-02 4.26606382e-02] [-7.64853458e-13 3.59288832e-02 -4.26606382e-02] [ 1.14696447e-13 -3.59288832e-02 -4.26606382e-02] [ 3.59288832e-02 -1.39888101e-14 4.26606382e-02] [ 3.59288832e-02 3.62048933e-13 -4.26606382e-02] [-3.59288832e-02 -1.05362073e-12 4.26606382e-02] [-3.59288832e-02 -3.64876532e-13 -4.26606382e-02] [ 5.34877985e-02 5.34877985e-02 -2.33701947e-13] [-5.34877985e-02 5.34877985e-02 1.84189469e-13] [ 5.34877985e-02 -5.34877985e-02 -3.57687838e-13] [-5.34877985e-02 -5.34877985e-02 4.47414727e-13] [ 4.14650952e-13 3.59288832e-02 4.26606382e-02] [ 5.41366865e-13 -3.59288832e-02 4.26606382e-02] [ 9.04994829e-13 3.59288832e-02 -4.26606382e-02] [ 3.92211871e-13 -3.59288832e-02 -4.26606382e-02] [ 3.59288832e-02 -5.49153439e-13 4.26606382e-02] [ 3.59288832e-02 -2.86325651e-13 -4.26606382e-02] [-3.59288832e-02 -3.94545507e-14 4.26606382e-02] [-3.59288832e-02 1.48868331e-13 -4.26606382e-02] [ 5.34877985e-02 5.34877985e-02 -2.69388144e-13] [-5.34877985e-02 5.34877985e-02 -5.85721169e-13] [ 5.34877985e-02 -5.34877985e-02 -1.11480974e-13] [-5.34877985e-02 -5.34877985e-02 1.09389928e-13]] Final stress: [ 9.31617760e-04 9.31617760e-04 -1.99475136e-03 4.52964917e-16 -4.94445221e-16 9.12566683e-18] Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.79823413e-04 1.81400034e-14 1.64972203e-15] [-6.79823414e-04 4.06341627e-14 -9.71445147e-15] [ 1.01476987e-14 7.82412688e-04 -9.70063466e-04] [ 5.19029264e-15 -7.82412688e-04 9.70063466e-04] [ 6.50781512e-15 -1.16847255e-03 4.56990913e-03] [ 4.19109192e-15 1.16847255e-03 -4.56990913e-03] [ 6.79823414e-04 1.20446188e-14 -3.96380121e-15] [-6.79823413e-04 -1.13771839e-14 -1.43824407e-14] [ 7.07029921e-15 7.82412688e-04 -9.70063466e-04] [ 2.38099471e-14 -7.82412688e-04 9.70063466e-04] [-2.57393933e-14 -1.16847255e-03 4.56990913e-03] [-4.78610207e-15 1.16847255e-03 -4.56990913e-03] [ 3.80649357e-03 1.69642550e-03 -8.26958387e-04] [ 1.24334511e-03 -9.60507636e-04 -1.48637968e-03] [ 1.24334511e-03 9.60507636e-04 1.48637968e-03] [ 3.80649357e-03 -1.69642550e-03 8.26958387e-04] [-1.24334511e-03 9.60507636e-04 1.48637968e-03] [-3.80649357e-03 -1.69642550e-03 8.26958387e-04] [-1.24334511e-03 -9.60507636e-04 -1.48637968e-03] [-3.80649357e-03 1.69642550e-03 -8.26958387e-04] [ 3.80649357e-03 1.69642550e-03 -8.26958387e-04] [ 1.24334511e-03 -9.60507636e-04 -1.48637968e-03] [ 1.24334511e-03 9.60507636e-04 1.48637968e-03] [ 3.80649357e-03 -1.69642550e-03 8.26958387e-04] [-1.24334511e-03 9.60507636e-04 1.48637968e-03] [-3.80649357e-03 -1.69642550e-03 8.26958387e-04] [-1.24334511e-03 -9.60507636e-04 -1.48637968e-03] [-3.80649357e-03 1.69642550e-03 -8.26958387e-04] [ 8.12683254e-14 -2.71727085e-14 1.61537450e-14] [-8.17115473e-14 -4.51390502e-14 5.74435340e-14] [ 1.56541446e-14 3.44487181e-03 2.96858241e-03] [-1.38777878e-15 3.12631713e-03 -3.44249741e-03] [ 1.85945009e-14 -3.12631713e-03 3.44249741e-03] [ 3.41393580e-15 -3.44487181e-03 -2.96858241e-03] [ 1.49100936e-04 1.73890251e-03 -2.49440224e-04] [ 1.49100936e-04 -1.73890251e-03 2.49440224e-04] [-1.49100936e-04 1.73890251e-03 -2.49440224e-04] [-1.49100936e-04 -1.73890251e-03 2.49440224e-04] [ 2.27649129e-03 2.27258230e-03 1.57882583e-03] [-2.27649129e-03 2.27258230e-03 1.57882583e-03] [ 2.27649129e-03 -2.27258230e-03 -1.57882583e-03] [-2.27649129e-03 -2.27258230e-03 -1.57882583e-03] [ 2.98415806e-15 3.44487181e-03 2.96858241e-03] [-5.45223588e-15 3.12631713e-03 -3.44249741e-03] [ 4.50737538e-14 -3.12631713e-03 3.44249741e-03] [-1.30633351e-14 -3.44487181e-03 -2.96858241e-03] [ 1.49100936e-04 1.73890251e-03 -2.49440224e-04] [ 1.49100936e-04 -1.73890251e-03 2.49440224e-04] [-1.49100936e-04 1.73890251e-03 -2.49440224e-04] [-1.49100936e-04 -1.73890251e-03 2.49440224e-04] [ 2.27649129e-03 2.27258230e-03 1.57882583e-03] [-2.27649129e-03 2.27258230e-03 1.57882583e-03] [ 2.27649129e-03 -2.27258230e-03 -1.57882583e-03] [-2.27649129e-03 -2.27258230e-03 -1.57882583e-03]] Final stress: [ 3.73436912e-04 3.74320804e-04 -2.32347719e-05 4.51746590e-04 -9.96522819e-18 6.64348546e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.79823413e-04 -1.11759560e-15 -9.90353632e-15] [-6.79823413e-04 -1.01307851e-14 -3.85802501e-15] [ 2.71024522e-14 7.82412688e-04 9.70063466e-04] [-3.63598041e-15 -7.82412688e-04 -9.70063466e-04] [ 1.88950418e-14 1.16847255e-03 4.56990913e-03] [-5.82867088e-16 -1.16847255e-03 -4.56990913e-03] [ 6.79823413e-04 1.89423130e-14 -8.19244930e-15] [-6.79823413e-04 2.40866355e-15 -2.18083451e-14] [-4.78523471e-15 7.82412688e-04 9.70063466e-04] [-1.16616786e-15 -7.82412688e-04 -9.70063466e-04] [-3.24111397e-14 1.16847255e-03 4.56990913e-03] [-2.73748038e-14 -1.16847255e-03 -4.56990913e-03] [-1.24334510e-03 9.60507635e-04 -1.48637968e-03] [-3.80649357e-03 -1.69642550e-03 -8.26958387e-04] [-3.80649357e-03 1.69642550e-03 8.26958387e-04] [-1.24334510e-03 -9.60507635e-04 1.48637968e-03] [ 3.80649357e-03 1.69642550e-03 8.26958387e-04] [ 1.24334511e-03 -9.60507635e-04 1.48637968e-03] [ 3.80649357e-03 -1.69642550e-03 -8.26958387e-04] [ 1.24334511e-03 9.60507635e-04 -1.48637968e-03] [-1.24334510e-03 9.60507635e-04 -1.48637968e-03] [-3.80649357e-03 -1.69642550e-03 -8.26958387e-04] [-3.80649357e-03 1.69642550e-03 8.26958387e-04] [-1.24334511e-03 -9.60507635e-04 1.48637968e-03] [ 3.80649357e-03 1.69642550e-03 8.26958387e-04] [ 1.24334510e-03 -9.60507635e-04 1.48637968e-03] [ 3.80649357e-03 -1.69642550e-03 -8.26958387e-04] [ 1.24334510e-03 9.60507635e-04 -1.48637968e-03] [ 9.01501096e-14 -4.91273688e-14 -3.19189120e-15] [-1.31531504e-13 -5.10867674e-14 8.76756969e-14] [-1.04805054e-13 -3.12631713e-03 -3.44249741e-03] [-2.49314458e-14 -3.44487181e-03 2.96858241e-03] [-6.16694196e-15 3.44487181e-03 -2.96858241e-03] [-2.89820251e-14 3.12631713e-03 3.44249741e-03] [ 1.49100935e-04 -1.73890250e-03 -2.49440224e-04] [ 1.49100935e-04 1.73890250e-03 2.49440224e-04] [-1.49100935e-04 -1.73890250e-03 -2.49440224e-04] [-1.49100935e-04 1.73890250e-03 2.49440224e-04] [ 2.27649129e-03 2.27258230e-03 -1.57882583e-03] [-2.27649129e-03 2.27258230e-03 -1.57882583e-03] [ 2.27649129e-03 -2.27258230e-03 1.57882583e-03] [-2.27649129e-03 -2.27258230e-03 1.57882583e-03] [-6.27536217e-16 -3.12631713e-03 -3.44249741e-03] [ 4.28923390e-14 -3.44487181e-03 2.96858241e-03] [ 7.88592282e-14 3.44487181e-03 -2.96858241e-03] [ 4.50806927e-14 3.12631713e-03 3.44249741e-03] [ 1.49100935e-04 -1.73890250e-03 -2.49440224e-04] [ 1.49100935e-04 1.73890250e-03 2.49440224e-04] [-1.49100935e-04 -1.73890250e-03 -2.49440224e-04] [-1.49100935e-04 1.73890250e-03 2.49440224e-04] [ 2.27649129e-03 2.27258230e-03 -1.57882583e-03] [-2.27649129e-03 2.27258230e-03 -1.57882583e-03] [ 2.27649129e-03 -2.27258230e-03 1.57882583e-03] [-2.27649129e-03 -2.27258230e-03 1.57882583e-03]] Final stress: [ 3.73436912e-04 3.74320804e-04 -2.32347718e-05 -4.51746590e-04 1.82695850e-17 7.14174687e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.60606015e-04 3.04443970e-16 -2.11419424e-15] [ 3.60606015e-04 -1.91513472e-15 -3.05311332e-16] [-2.16016441e-15 -3.34687834e-04 -1.69159055e-03] [ 3.33066907e-15 3.34687834e-04 1.69159055e-03] [ 3.82506526e-16 -1.58703885e-03 -2.88350636e-03] [ 2.19269047e-15 1.58703885e-03 2.88350636e-03] [-3.60606015e-04 -5.79831322e-16 3.67150243e-15] [ 3.60606015e-04 3.16630402e-15 1.86053709e-15] [ 1.34874750e-16 -3.34687834e-04 -1.69159055e-03] [-5.25491109e-15 3.34687834e-04 1.69159055e-03] [ 1.06685494e-16 -1.58703885e-03 -2.88350636e-03] [-6.60539332e-15 1.58703885e-03 2.88350636e-03] [ 1.63636382e-04 -3.38504595e-04 1.57490144e-03] [ 1.90800729e-03 1.37312124e-03 4.98333884e-04] [ 1.90800729e-03 -1.37312124e-03 -4.98333884e-04] [ 1.63636382e-04 3.38504595e-04 -1.57490144e-03] [-1.90800729e-03 -1.37312124e-03 -4.98333884e-04] [-1.63636382e-04 3.38504595e-04 -1.57490144e-03] [-1.90800729e-03 1.37312124e-03 4.98333884e-04] [-1.63636382e-04 -3.38504595e-04 1.57490144e-03] [ 1.63636382e-04 -3.38504595e-04 1.57490144e-03] [ 1.90800729e-03 1.37312124e-03 4.98333884e-04] [ 1.90800729e-03 -1.37312124e-03 -4.98333884e-04] [ 1.63636382e-04 3.38504595e-04 -1.57490144e-03] [-1.90800729e-03 -1.37312124e-03 -4.98333884e-04] [-1.63636382e-04 3.38504595e-04 -1.57490144e-03] [-1.90800729e-03 1.37312124e-03 4.98333884e-04] [-1.63636382e-04 -3.38504595e-04 1.57490144e-03] [ 7.82707232e-15 -3.57769370e-14 -5.55111512e-17] [-2.27790876e-14 1.70269670e-14 1.77811131e-14] [ 2.88657986e-15 2.29365393e-03 2.02774568e-03] [-6.12704332e-15 1.55485124e-03 -1.87003723e-03] [ 5.46784840e-15 -1.55485124e-03 1.87003723e-03] [-1.61294589e-14 -2.29365393e-03 -2.02774568e-03] [ 3.67730916e-04 4.54594614e-04 6.65789099e-05] [ 3.67730916e-04 -4.54594614e-04 -6.65789099e-05] [-3.67730916e-04 4.54594614e-04 6.65789099e-05] [-3.67730916e-04 -4.54594614e-04 -6.65789099e-05] [-1.58253828e-03 -1.59256586e-03 5.45925332e-04] [ 1.58253828e-03 -1.59256586e-03 5.45925332e-04] [-1.58253828e-03 1.59256586e-03 -5.45925332e-04] [ 1.58253828e-03 1.59256586e-03 -5.45925332e-04] [ 2.19138943e-15 2.29365393e-03 2.02774568e-03] [ 8.39172482e-15 1.55485124e-03 -1.87003723e-03] [-8.33100949e-15 -1.55485124e-03 1.87003723e-03] [ 2.28202873e-14 -2.29365393e-03 -2.02774568e-03] [ 3.67730916e-04 4.54594614e-04 6.65789099e-05] [ 3.67730916e-04 -4.54594614e-04 -6.65789099e-05] [-3.67730916e-04 4.54594614e-04 6.65789099e-05] [-3.67730916e-04 -4.54594614e-04 -6.65789099e-05] [-1.58253828e-03 -1.59256586e-03 5.45925332e-04] [ 1.58253828e-03 -1.59256586e-03 5.45925332e-04] [-1.58253828e-03 1.59256586e-03 -5.45925332e-04] [ 1.58253828e-03 1.59256586e-03 -5.45925332e-04]] Final stress: [-3.68243233e-04 -3.67825834e-04 -2.15486783e-05 4.49999920e-04 -2.16345537e-17 -1.66419644e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.31167417e-04 -6.38334871e-15 -1.89518540e-16] [ 3.31167417e-04 1.91513472e-15 -2.35922393e-15] [ 4.96651331e-15 -3.04451406e-04 1.67790911e-03] [-4.71844785e-16 3.04451406e-04 -1.67790911e-03] [ 4.45390252e-16 1.57372386e-03 -2.88607325e-03] [ 6.88338275e-15 -1.57372386e-03 2.88607325e-03] [-3.31167417e-04 1.52265353e-15 -2.73816106e-16] [ 3.31167417e-04 1.44372361e-15 9.52636356e-16] [-3.90919935e-15 -3.04451406e-04 1.67790911e-03] [-2.26294677e-15 3.04451406e-04 -1.67790911e-03] [-1.28673114e-15 1.57372386e-03 -2.88607325e-03] [-5.13955198e-15 -1.57372386e-03 2.88607325e-03] [-1.91199120e-03 -1.36396015e-03 5.08109218e-04] [-1.63151194e-04 3.51333630e-04 1.56295939e-03] [-1.63151194e-04 -3.51333630e-04 -1.56295939e-03] [-1.91199120e-03 1.36396015e-03 -5.08109218e-04] [ 1.63151194e-04 -3.51333630e-04 -1.56295939e-03] [ 1.91199120e-03 1.36396015e-03 -5.08109218e-04] [ 1.63151194e-04 3.51333630e-04 1.56295939e-03] [ 1.91199120e-03 -1.36396015e-03 5.08109218e-04] [-1.91199120e-03 -1.36396015e-03 5.08109218e-04] [-1.63151194e-04 3.51333630e-04 1.56295939e-03] [-1.63151194e-04 -3.51333630e-04 -1.56295939e-03] [-1.91199120e-03 1.36396015e-03 -5.08109218e-04] [ 1.63151194e-04 -3.51333630e-04 -1.56295939e-03] [ 1.91199120e-03 1.36396015e-03 -5.08109218e-04] [ 1.63151194e-04 3.51333630e-04 1.56295939e-03] [ 1.91199120e-03 -1.36396015e-03 5.08109218e-04] [ 3.17523785e-14 -6.93889390e-16 3.41671136e-14] [-2.63205256e-14 -4.02666391e-15 -3.48577492e-14] [-3.55271368e-15 -1.40206448e-03 -2.00858259e-03] [ 6.63358257e-15 -2.42194716e-03 1.85893629e-03] [-8.24340596e-15 2.42194716e-03 -1.85893629e-03] [-8.15320034e-15 1.40206448e-03 2.00858259e-03] [ 5.08788450e-04 -4.81300565e-04 -8.73659339e-05] [ 5.08788450e-04 4.81300565e-04 8.73659339e-05] [-5.08788450e-04 -4.81300565e-04 -8.73659340e-05] [-5.08788450e-04 4.81300565e-04 8.73659339e-05] [-1.57086344e-03 -1.58166993e-03 -5.71209348e-04] [ 1.57086344e-03 -1.58166993e-03 -5.71209348e-04] [-1.57086344e-03 1.58166993e-03 5.71209348e-04] [ 1.57086344e-03 1.58166993e-03 5.71209348e-04] [ 3.39194818e-14 -1.40206448e-03 -2.00858259e-03] [-2.09858173e-15 -2.42194716e-03 1.85893629e-03] [ 3.46914338e-14 2.42194716e-03 -1.85893629e-03] [ 1.10575611e-14 1.40206448e-03 2.00858259e-03] [ 5.08788450e-04 -4.81300565e-04 -8.73659338e-05] [ 5.08788450e-04 4.81300565e-04 8.73659339e-05] [-5.08788450e-04 -4.81300565e-04 -8.73659338e-05] [-5.08788450e-04 4.81300565e-04 8.73659339e-05] [-1.57086344e-03 -1.58166993e-03 -5.71209348e-04] [ 1.57086344e-03 -1.58166993e-03 -5.71209348e-04] [-1.57086344e-03 1.58166993e-03 5.71209348e-04] [ 1.57086344e-03 1.58166993e-03 5.71209348e-04]] Final stress: [-3.68463678e-04 -3.68047510e-04 -2.10985181e-05 -4.50170294e-04 4.99258931e-18 -1.66419644e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.82412688e-04 -2.15066680e-14 -9.70063466e-04] [-7.82412688e-04 -2.69229083e-15 9.70063466e-04] [-9.99417563e-15 6.79823414e-04 6.07109849e-15] [ 6.21724894e-15 -6.79823414e-04 -2.50355292e-14] [-1.16847255e-03 -6.15436521e-15 4.56990913e-03] [ 1.16847255e-03 1.50157664e-14 -4.56990913e-03] [ 7.82412688e-04 -8.06212735e-15 -9.70063466e-04] [-7.82412688e-04 1.05536239e-14 9.70063466e-04] [-2.41790095e-14 6.79823414e-04 6.37114085e-15] [ 2.82196141e-15 -6.79823414e-04 1.12304795e-15] [-1.16847255e-03 -9.65547087e-15 4.56990913e-03] [ 1.16847255e-03 -6.58112385e-15 -4.56990913e-03] [ 1.69642550e-03 3.80649357e-03 -8.26958388e-04] [-9.60507636e-04 1.24334511e-03 -1.48637968e-03] [-1.69642550e-03 3.80649357e-03 8.26958388e-04] [ 9.60507636e-04 1.24334511e-03 1.48637968e-03] [ 9.60507636e-04 -1.24334511e-03 1.48637968e-03] [-1.69642550e-03 -3.80649357e-03 8.26958388e-04] [ 1.69642550e-03 -3.80649357e-03 -8.26958388e-04] [-9.60507636e-04 -1.24334511e-03 -1.48637968e-03] [ 1.69642550e-03 3.80649357e-03 -8.26958388e-04] [-9.60507636e-04 1.24334511e-03 -1.48637968e-03] [-1.69642550e-03 3.80649357e-03 8.26958388e-04] [ 9.60507636e-04 1.24334511e-03 1.48637968e-03] [ 9.60507636e-04 -1.24334511e-03 1.48637968e-03] [-1.69642550e-03 -3.80649357e-03 8.26958388e-04] [ 1.69642550e-03 -3.80649357e-03 -8.26958388e-04] [-9.60507636e-04 -1.24334511e-03 -1.48637968e-03] [ 3.97737399e-14 -2.66175970e-14 -1.67088565e-14] [-3.29892363e-14 -1.10312696e-14 7.88576662e-15] [ 1.73890251e-03 1.49100936e-04 -2.49440224e-04] [ 1.73890251e-03 -1.49100936e-04 -2.49440224e-04] [-1.73890251e-03 1.49100936e-04 2.49440224e-04] [-1.73890251e-03 -1.49100936e-04 2.49440224e-04] [ 3.44487182e-03 6.32827124e-15 2.96858242e-03] [-3.12631713e-03 4.92834940e-15 3.44249741e-03] [ 3.12631713e-03 -3.46597751e-15 -3.44249741e-03] [-3.44487182e-03 -4.32449215e-14 -2.96858242e-03] [ 2.27258230e-03 2.27649129e-03 1.57882583e-03] [-2.27258230e-03 2.27649129e-03 -1.57882583e-03] [ 2.27258230e-03 -2.27649129e-03 1.57882583e-03] [-2.27258230e-03 -2.27649129e-03 -1.57882583e-03] [ 1.73890251e-03 1.49100936e-04 -2.49440224e-04] [ 1.73890251e-03 -1.49100936e-04 -2.49440224e-04] [-1.73890251e-03 1.49100936e-04 2.49440224e-04] [-1.73890251e-03 -1.49100936e-04 2.49440224e-04] [ 3.44487182e-03 -6.32467917e-14 2.96858242e-03] [-3.12631713e-03 1.64564543e-14 3.44249741e-03] [ 3.12631713e-03 -3.61273511e-14 -3.44249741e-03] [-3.44487182e-03 2.17065949e-14 -2.96858242e-03] [ 2.27258230e-03 2.27649129e-03 1.57882583e-03] [-2.27258230e-03 2.27649129e-03 -1.57882583e-03] [ 2.27258230e-03 -2.27649129e-03 1.57882583e-03] [-2.27258230e-03 -2.27649129e-03 -1.57882583e-03]] Final stress: [ 3.74320804e-04 3.73436912e-04 -2.32347720e-05 -4.98261409e-18 4.51746590e-04 -1.39513195e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.82412688e-04 -1.92163993e-15 9.70063466e-04] [-7.82412688e-04 1.73194792e-14 -9.70063466e-04] [ 1.02873439e-14 6.79823413e-04 -1.23716141e-14] [ 3.16413562e-15 -6.79823413e-04 -8.82627305e-15] [ 1.16847255e-03 -1.83620480e-14 4.56990913e-03] [-1.16847255e-03 -8.04911693e-15 -4.56990913e-03] [ 7.82412688e-04 2.39513270e-14 9.70063466e-04] [-7.82412688e-04 4.25440932e-15 -9.70063466e-04] [ 1.58224128e-14 6.79823413e-04 -2.93023594e-15] [-3.36102673e-15 -6.79823413e-04 -7.22107700e-15] [ 1.16847255e-03 -1.11736975e-14 4.56990913e-03] [-1.16847255e-03 -3.21359144e-15 -4.56990913e-03] [ 9.60507635e-04 -1.24334510e-03 -1.48637968e-03] [-1.69642550e-03 -3.80649357e-03 -8.26958387e-04] [-9.60507635e-04 -1.24334510e-03 1.48637968e-03] [ 1.69642550e-03 -3.80649357e-03 8.26958387e-04] [ 1.69642550e-03 3.80649357e-03 8.26958387e-04] [-9.60507635e-04 1.24334510e-03 1.48637968e-03] [ 9.60507635e-04 1.24334510e-03 -1.48637968e-03] [-1.69642550e-03 3.80649357e-03 -8.26958387e-04] [ 9.60507634e-04 -1.24334510e-03 -1.48637968e-03] [-1.69642550e-03 -3.80649357e-03 -8.26958387e-04] [-9.60507635e-04 -1.24334510e-03 1.48637968e-03] [ 1.69642550e-03 -3.80649357e-03 8.26958387e-04] [ 1.69642550e-03 3.80649357e-03 8.26958387e-04] [-9.60507635e-04 1.24334510e-03 1.48637968e-03] [ 9.60507634e-04 1.24334510e-03 -1.48637968e-03] [-1.69642550e-03 3.80649357e-03 -8.26958387e-04] [ 7.66331443e-14 -5.49560397e-15 7.68829445e-14] [-7.67498044e-14 -5.97333344e-14 1.88616572e-14] [-1.73890250e-03 1.49100935e-04 -2.49440224e-04] [-1.73890250e-03 -1.49100935e-04 -2.49440224e-04] [ 1.73890250e-03 1.49100935e-04 2.49440224e-04] [ 1.73890250e-03 -1.49100935e-04 2.49440224e-04] [-3.12631713e-03 8.99280650e-15 -3.44249741e-03] [ 3.44487181e-03 2.23068092e-14 -2.96858241e-03] [-3.44487181e-03 -2.03240202e-14 2.96858241e-03] [ 3.12631713e-03 -3.10446113e-14 3.44249741e-03] [ 2.27258230e-03 2.27649129e-03 -1.57882583e-03] [-2.27258230e-03 2.27649129e-03 1.57882583e-03] [ 2.27258230e-03 -2.27649129e-03 -1.57882583e-03] [-2.27258230e-03 -2.27649129e-03 1.57882583e-03] [-1.73890250e-03 1.49100934e-04 -2.49440224e-04] [-1.73890250e-03 -1.49100935e-04 -2.49440224e-04] [ 1.73890250e-03 1.49100935e-04 2.49440224e-04] [ 1.73890250e-03 -1.49100934e-04 2.49440224e-04] [-3.12631713e-03 2.22502939e-14 -3.44249741e-03] [ 3.44487181e-03 -5.73135289e-14 -2.96858241e-03] [-3.44487181e-03 -3.53475929e-14 2.96858241e-03] [ 3.12631713e-03 -1.90516006e-15 3.44249741e-03] [ 2.27258230e-03 2.27649129e-03 -1.57882583e-03] [-2.27258230e-03 2.27649129e-03 1.57882583e-03] [ 2.27258230e-03 -2.27649129e-03 -1.57882583e-03] [-2.27258230e-03 -2.27649129e-03 1.57882583e-03]] Final stress: [ 3.74320804e-04 3.73436912e-04 -2.32347718e-05 -2.15913277e-17 -4.51746590e-04 2.65739418e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.65053614e-04 -2.28940131e-15 -1.61454090e-03] [ 3.65053614e-04 5.80091530e-15 1.61454090e-03] [ 2.00750874e-15 -3.90895331e-04 3.44602819e-15] [ 8.88178420e-16 3.90895331e-04 -2.13717932e-15] [-1.51012585e-03 -5.01508557e-15 -2.89857742e-03] [ 1.51012585e-03 -2.49800181e-16 2.89857742e-03] [-3.65053614e-04 8.20567572e-15 -1.61454090e-03] [ 3.65053614e-04 2.60859043e-15 1.61454090e-03] [-5.82086462e-15 -3.90895331e-04 -8.24815697e-16] [-1.23989360e-15 3.90895331e-04 3.84132449e-15] [-1.51012585e-03 6.04216009e-15 -2.89857742e-03] [ 1.51012585e-03 -5.20665445e-15 2.89857742e-03] [-3.47501316e-04 2.18222768e-04 1.57012309e-03] [ 1.35443815e-03 1.95299099e-03 5.20396588e-04] [ 3.47501316e-04 2.18222768e-04 -1.57012309e-03] [-1.35443815e-03 1.95299099e-03 -5.20396588e-04] [-1.35443815e-03 -1.95299099e-03 -5.20396588e-04] [ 3.47501316e-04 -2.18222768e-04 -1.57012309e-03] [-3.47501316e-04 -2.18222768e-04 1.57012309e-03] [ 1.35443815e-03 -1.95299099e-03 5.20396588e-04] [-3.47501316e-04 2.18222768e-04 1.57012309e-03] [ 1.35443815e-03 1.95299099e-03 5.20396588e-04] [ 3.47501316e-04 2.18222768e-04 -1.57012309e-03] [-1.35443815e-03 1.95299099e-03 -5.20396588e-04] [-1.35443815e-03 -1.95299099e-03 -5.20396588e-04] [ 3.47501316e-04 -2.18222768e-04 -1.57012309e-03] [-3.47501316e-04 -2.18222768e-04 1.57012309e-03] [ 1.35443815e-03 -1.95299099e-03 5.20396588e-04] [ 2.87270208e-14 -3.11417558e-14 1.67088565e-14] [-2.64358847e-14 9.73477165e-15 -2.90185314e-14] [ 4.44962122e-04 4.27478368e-04 3.00868314e-05] [ 4.44962122e-04 -4.27478368e-04 3.00868313e-05] [-4.44962122e-04 4.27478368e-04 -3.00868314e-05] [-4.44962122e-04 -4.27478368e-04 -3.00868314e-05] [ 2.35067625e-03 2.36477504e-14 1.98824853e-03] [-1.49279275e-03 -7.42461648e-15 1.90325373e-03] [ 1.49279275e-03 5.13998566e-15 -1.90325373e-03] [-2.35067625e-03 -3.15598242e-14 -1.98824853e-03] [-1.57551836e-03 -1.56514193e-03 5.35670251e-04] [ 1.57551836e-03 -1.56514193e-03 -5.35670251e-04] [-1.57551836e-03 1.56514193e-03 5.35670251e-04] [ 1.57551836e-03 1.56514193e-03 -5.35670251e-04] [ 4.44962122e-04 4.27478368e-04 3.00868313e-05] [ 4.44962122e-04 -4.27478368e-04 3.00868313e-05] [-4.44962122e-04 4.27478368e-04 -3.00868313e-05] [-4.44962122e-04 -4.27478368e-04 -3.00868313e-05] [ 2.35067625e-03 -4.23107458e-14 1.98824853e-03] [-1.49279275e-03 -7.85916471e-15 1.90325373e-03] [ 1.49279275e-03 -2.46374102e-14 -1.90325373e-03] [-2.35067625e-03 -8.86660537e-15 -1.98824853e-03] [-1.57551836e-03 -1.56514193e-03 5.35670251e-04] [ 1.57551836e-03 -1.56514193e-03 -5.35670251e-04] [-1.57551836e-03 1.56514193e-03 5.35670251e-04] [ 1.57551836e-03 1.56514193e-03 -5.35670251e-04]] Final stress: [-3.68153931e-04 -3.68569642e-04 -2.18732842e-05 3.32839287e-18 4.50796267e-04 -9.98517862e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.05168473e-04 -1.10805462e-15 1.68067589e-03] [ 3.05168473e-04 -3.27515792e-15 -1.68067589e-03] [ 2.50190493e-15 -3.31848180e-04 5.28613611e-15] [ 7.16093851e-15 3.31848180e-04 -1.69309011e-15] [ 1.57646521e-03 -2.01574868e-15 -2.88619183e-03] [-1.57646521e-03 5.88418203e-15 2.88619183e-03] [-3.05168473e-04 9.48893741e-16 1.68067589e-03] [ 3.05168473e-04 4.67941658e-16 -1.68067589e-03] [-3.63077624e-15 -3.31848180e-04 -2.35861152e-15] [ 3.42174206e-16 3.31848180e-04 -5.97390315e-16] [ 1.57646521e-03 4.31074275e-15 -2.88619183e-03] [-1.57646521e-03 -2.77418336e-15 2.88619183e-03] [-1.36505636e-03 -1.91094479e-03 5.07144736e-04] [ 3.50496501e-04 -1.61885926e-04 1.56390336e-03] [ 1.36505636e-03 -1.91094479e-03 -5.07144736e-04] [-3.50496501e-04 -1.61885926e-04 -1.56390336e-03] [-3.50496501e-04 1.61885926e-04 -1.56390336e-03] [ 1.36505636e-03 1.91094479e-03 -5.07144736e-04] [-1.36505636e-03 1.91094479e-03 5.07144736e-04] [ 3.50496501e-04 1.61885926e-04 1.56390336e-03] [-1.36505636e-03 -1.91094479e-03 5.07144736e-04] [ 3.50496501e-04 -1.61885926e-04 1.56390336e-03] [ 1.36505636e-03 -1.91094479e-03 -5.07144736e-04] [-3.50496501e-04 -1.61885926e-04 -1.56390336e-03] [-3.50496501e-04 1.61885926e-04 -1.56390336e-03] [ 1.36505636e-03 1.91094479e-03 -5.07144736e-04] [-1.36505636e-03 1.91094479e-03 5.07144736e-04] [ 3.50496501e-04 1.61885926e-04 1.56390336e-03] [ 5.02931030e-14 -1.00752739e-14 2.23154828e-14] [-2.97734927e-14 -2.35060851e-14 -1.30958421e-14] [-4.80349644e-04 5.04511790e-04 -8.32776720e-05] [-4.80349644e-04 -5.04511790e-04 -8.32776720e-05] [ 4.80349644e-04 5.04511790e-04 8.32776720e-05] [ 4.80349644e-04 -5.04511790e-04 8.32776720e-05] [-1.40728791e-03 -9.32587341e-15 -2.00552093e-03] [ 2.41865660e-03 -2.20500701e-14 -1.86403992e-03] [-2.41865660e-03 -1.80550019e-14 1.86403992e-03] [ 1.40728791e-03 -2.34534614e-14 2.00552093e-03] [-1.58247237e-03 -1.57169108e-03 -5.70294148e-04] [ 1.58247237e-03 -1.57169108e-03 5.70294148e-04] [-1.58247237e-03 1.57169108e-03 -5.70294148e-04] [ 1.58247237e-03 1.57169108e-03 5.70294148e-04] [-4.80349644e-04 5.04511790e-04 -8.32776719e-05] [-4.80349644e-04 -5.04511790e-04 -8.32776719e-05] [ 4.80349644e-04 5.04511790e-04 8.32776719e-05] [ 4.80349644e-04 -5.04511790e-04 8.32776719e-05] [-1.40728791e-03 -1.94881715e-14 -2.00552093e-03] [ 2.41865660e-03 1.55964651e-14 -1.86403992e-03] [-2.41865660e-03 -2.51127244e-14 1.86403992e-03] [ 1.40728791e-03 1.71850381e-14 2.00552093e-03] [-1.58247237e-03 -1.57169108e-03 -5.70294148e-04] [ 1.58247237e-03 -1.57169108e-03 5.70294148e-04] [-1.58247237e-03 1.57169108e-03 -5.70294148e-04] [ 1.58247237e-03 1.57169108e-03 5.70294148e-04]] Final stress: [-3.68037872e-04 -3.68454230e-04 -2.10898274e-05 8.32098218e-18 -4.50140476e-04 -2.66271430e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.96755222e-04 -1.19103970e-03 -1.98738595e-14] [-8.96755222e-04 1.19103970e-03 -1.98174810e-14] [-1.19103970e-03 8.96755222e-04 -3.18777123e-14] [ 1.19103970e-03 -8.96755221e-04 -1.40720768e-14] [-2.83293354e-14 2.93324393e-14 5.50887699e-03] [-2.17326157e-14 2.22044605e-14 -5.50887699e-03] [ 8.96755222e-04 -1.19103970e-03 -8.44134467e-15] [-8.96755222e-04 1.19103970e-03 3.12847329e-15] [-1.19103970e-03 8.96755222e-04 2.35825631e-14] [ 1.19103970e-03 -8.96755222e-04 4.29196819e-15] [-1.45456563e-14 1.51421530e-14 5.50887699e-03] [-3.61906685e-14 2.79528602e-14 -5.50887699e-03] [ 1.98999323e-03 1.98999323e-03 2.02108963e-03] [-1.98999323e-03 -1.98999323e-03 2.02108963e-03] [-1.32589795e-03 1.32589795e-03 4.60985066e-03] [ 1.32589795e-03 -1.32589795e-03 4.60985066e-03] [ 1.98999323e-03 1.98999323e-03 -2.02108963e-03] [-1.98999323e-03 -1.98999323e-03 -2.02108963e-03] [ 1.32589795e-03 -1.32589795e-03 -4.60985066e-03] [-1.32589795e-03 1.32589795e-03 -4.60985066e-03] [ 1.98999323e-03 1.98999323e-03 2.02108963e-03] [-1.98999323e-03 -1.98999323e-03 2.02108963e-03] [-1.32589795e-03 1.32589795e-03 4.60985066e-03] [ 1.32589795e-03 -1.32589795e-03 4.60985066e-03] [ 1.98999323e-03 1.98999323e-03 -2.02108963e-03] [-1.98999323e-03 -1.98999323e-03 -2.02108963e-03] [ 1.32589795e-03 -1.32589795e-03 -4.60985066e-03] [-1.32589795e-03 1.32589795e-03 -4.60985066e-03] [ 1.11022302e-15 -9.75053371e-14 -8.02136135e-15] [-8.02175167e-14 9.06239703e-16 3.47660065e-14] [ 2.47638598e-03 5.11193676e-04 -2.44237909e-04] [-2.47638598e-03 -5.11193676e-04 -2.44237909e-04] [ 2.47638598e-03 5.11193676e-04 2.44237909e-04] [-2.47638598e-03 -5.11193676e-04 2.44237909e-04] [ 5.11193676e-04 2.47638598e-03 -2.44237910e-04] [ 5.11193676e-04 2.47638598e-03 2.44237909e-04] [-5.11193676e-04 -2.47638598e-03 -2.44237910e-04] [-5.11193676e-04 -2.47638598e-03 2.44237910e-04] [ 6.86882217e-03 6.86882217e-03 1.21014310e-14] [ 1.21515267e-03 -1.21515267e-03 2.06622913e-14] [-1.21515267e-03 1.21515267e-03 4.15813217e-15] [-6.86882217e-03 -6.86882217e-03 -5.97525501e-14] [ 2.47638598e-03 5.11193676e-04 -2.44237909e-04] [-2.47638598e-03 -5.11193676e-04 -2.44237909e-04] [ 2.47638598e-03 5.11193676e-04 2.44237910e-04] [-2.47638598e-03 -5.11193676e-04 2.44237909e-04] [ 5.11193676e-04 2.47638598e-03 -2.44237909e-04] [ 5.11193676e-04 2.47638598e-03 2.44237909e-04] [-5.11193676e-04 -2.47638598e-03 -2.44237909e-04] [-5.11193676e-04 -2.47638598e-03 2.44237909e-04] [ 6.86882217e-03 6.86882217e-03 3.55771012e-14] [ 1.21515267e-03 -1.21515267e-03 1.62786180e-14] [-1.21515267e-03 1.21515267e-03 6.23493431e-14] [-6.86882217e-03 -6.86882217e-03 8.41210782e-15]] Final stress: [ 3.79041405e-04 3.79041405e-04 -5.99846595e-05 -1.99304564e-17 -1.99304564e-17 4.51378696e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.96755223e-04 1.19103970e-03 2.09979603e-14] [-8.96755223e-04 -1.19103970e-03 1.42941214e-14] [ 1.19103970e-03 8.96755223e-04 1.70610054e-15] [-1.19103970e-03 -8.96755223e-04 -1.09912079e-14] [ 1.92337465e-14 -3.26128013e-15 5.50887700e-03] [ 2.29261055e-14 -1.11022302e-16 -5.50887700e-03] [ 8.96755223e-04 1.19103970e-03 2.28752745e-14] [-8.96755223e-04 -1.19103970e-03 4.30333517e-15] [ 1.19103970e-03 8.96755223e-04 -8.27914839e-15] [-1.19103970e-03 -8.96755223e-04 -1.44354372e-14] [-2.80201209e-14 -2.21989014e-14 5.50887700e-03] [-1.57204978e-14 6.16267715e-16 -5.50887700e-03] [ 1.32589795e-03 1.32589795e-03 -4.60985067e-03] [-1.32589795e-03 -1.32589795e-03 -4.60985067e-03] [-1.98999323e-03 1.98999323e-03 -2.02108964e-03] [ 1.98999323e-03 -1.98999323e-03 -2.02108964e-03] [ 1.32589795e-03 1.32589795e-03 4.60985067e-03] [-1.32589795e-03 -1.32589795e-03 4.60985067e-03] [ 1.98999323e-03 -1.98999323e-03 2.02108964e-03] [-1.98999323e-03 1.98999323e-03 2.02108964e-03] [ 1.32589795e-03 1.32589795e-03 -4.60985067e-03] [-1.32589795e-03 -1.32589795e-03 -4.60985067e-03] [-1.98999323e-03 1.98999323e-03 -2.02108964e-03] [ 1.98999323e-03 -1.98999323e-03 -2.02108964e-03] [ 1.32589795e-03 1.32589795e-03 4.60985067e-03] [-1.32589795e-03 -1.32589795e-03 4.60985067e-03] [ 1.98999323e-03 -1.98999323e-03 2.02108964e-03] [-1.98999323e-03 1.98999323e-03 2.02108964e-03] [ 4.90718577e-14 -7.53841434e-14 1.79301018e-14] [-7.66908238e-14 -9.22098659e-15 -6.10205922e-14] [-2.47638599e-03 5.11193680e-04 -2.44237909e-04] [ 2.47638599e-03 -5.11193680e-04 -2.44237909e-04] [-2.47638599e-03 5.11193680e-04 2.44237909e-04] [ 2.47638599e-03 -5.11193680e-04 2.44237909e-04] [ 5.11193680e-04 -2.47638599e-03 -2.44237909e-04] [ 5.11193680e-04 -2.47638599e-03 2.44237909e-04] [-5.11193680e-04 2.47638599e-03 -2.44237909e-04] [-5.11193680e-04 2.47638599e-03 2.44237909e-04] [-1.21515267e-03 -1.21515267e-03 -6.27276009e-14] [-6.86882219e-03 6.86882219e-03 -7.32573724e-15] [ 6.86882219e-03 -6.86882219e-03 3.43509943e-14] [ 1.21515267e-03 1.21515267e-03 -4.63466071e-14] [-2.47638599e-03 5.11193680e-04 -2.44237909e-04] [ 2.47638599e-03 -5.11193680e-04 -2.44237909e-04] [-2.47638599e-03 5.11193680e-04 2.44237909e-04] [ 2.47638599e-03 -5.11193680e-04 2.44237909e-04] [ 5.11193680e-04 -2.47638599e-03 -2.44237909e-04] [ 5.11193680e-04 -2.47638599e-03 2.44237909e-04] [-5.11193680e-04 2.47638599e-03 -2.44237909e-04] [-5.11193680e-04 2.47638599e-03 2.44237909e-04] [-1.21515267e-03 -1.21515267e-03 4.31765688e-14] [-6.86882219e-03 6.86882219e-03 6.97078639e-14] [ 6.86882219e-03 -6.86882219e-03 5.18452604e-15] [ 1.21515267e-03 1.21515267e-03 1.86452416e-14]] Final stress: [ 3.79041405e-04 3.79041405e-04 -5.99846599e-05 2.98956846e-17 3.65391701e-17 -4.51378696e-04] Minimization converged after 29 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-5.54767818e-04 -1.92625429e-13 1.58692937e-13] [ 5.54767821e-04 -5.28493915e-13 -2.32536213e-13] [ 1.56783874e-13 2.51658318e-04 -1.00512924e-04] [ 8.15181256e-14 -2.51658318e-04 1.00512924e-04] [-4.65369063e-13 -1.00512924e-04 2.51658319e-04] [ 2.54435362e-13 1.00512925e-04 -2.51658316e-04] [-5.54767821e-04 3.97140220e-13 4.85780721e-13] [ 5.54767817e-04 2.42418932e-14 2.92170604e-13] [-3.43765814e-14 2.51658316e-04 -1.00512925e-04] [ 5.14057113e-13 -2.51658318e-04 1.00512924e-04] [-5.05676230e-13 -1.00512924e-04 2.51658318e-04] [ 2.25763418e-13 1.00512925e-04 -2.51658319e-04] [-3.86114226e-05 4.94493810e-04 4.94493810e-04] [ 2.69210422e-04 -3.97322159e-04 3.97322159e-04] [ 2.69210422e-04 3.97322159e-04 -3.97322159e-04] [-3.86114211e-05 -4.94493811e-04 -4.94493812e-04] [-2.69210422e-04 3.97322158e-04 -3.97322158e-04] [ 3.86114208e-05 -4.94493813e-04 -4.94493813e-04] [-2.69210422e-04 -3.97322157e-04 3.97322158e-04] [ 3.86114212e-05 4.94493811e-04 4.94493811e-04] [-3.86114206e-05 4.94493813e-04 4.94493812e-04] [ 2.69210423e-04 -3.97322159e-04 3.97322157e-04] [ 2.69210423e-04 3.97322158e-04 -3.97322157e-04] [-3.86114205e-05 -4.94493811e-04 -4.94493811e-04] [-2.69210422e-04 3.97322159e-04 -3.97322159e-04] [ 3.86114220e-05 -4.94493810e-04 -4.94493810e-04] [-2.69210423e-04 -3.97322160e-04 3.97322159e-04] [ 3.86114210e-05 4.94493811e-04 4.94493811e-04] [-3.39198114e-12 -5.27633492e-13 -2.25114372e-12] [ 3.22138800e-12 3.56019639e-12 1.25471336e-12] [ 1.87683202e-12 1.65079923e-04 1.65079894e-04] [ 3.18113938e-12 -2.34536906e-04 2.34536869e-04] [ 2.72100051e-12 2.34536910e-04 -2.34536867e-04] [ 1.80860014e-12 -1.65079933e-04 -1.65079885e-04] [-1.45595680e-04 4.42028456e-05 -1.06855576e-04] [-1.45595676e-04 -4.42028477e-05 1.06855581e-04] [ 1.45595683e-04 4.42028467e-05 -1.06855572e-04] [ 1.45595680e-04 -4.42028498e-05 1.06855576e-04] [-1.45595635e-04 -1.06855623e-04 4.42028505e-05] [ 1.45595639e-04 -1.06855618e-04 4.42028483e-05] [-1.45595639e-04 1.06855619e-04 -4.42028448e-05] [ 1.45595641e-04 1.06855616e-04 -4.42028454e-05] [-1.33376773e-12 1.65079890e-04 1.65079927e-04] [-2.30709549e-12 -2.34536867e-04 2.34536909e-04] [-2.40220300e-12 2.34536866e-04 -2.34536910e-04] [-2.21629746e-12 -1.65079882e-04 -1.65079933e-04] [-1.45595639e-04 4.42028475e-05 -1.06855618e-04] [-1.45595643e-04 -4.42028460e-05 1.06855614e-04] [ 1.45595635e-04 4.42028482e-05 -1.06855623e-04] [ 1.45595642e-04 -4.42028455e-05 1.06855617e-04] [-1.45595683e-04 -1.06855574e-04 4.42028456e-05] [ 1.45595679e-04 -1.06855578e-04 4.42028429e-05] [-1.45595679e-04 1.06855577e-04 -4.42028502e-05] [ 1.45595675e-04 1.06855581e-04 -4.42028496e-05]] Final stress: [-2.14656125e-05 1.45747860e-06 1.45747859e-06 9.26579414e-04 -3.92358785e-16 2.04492079e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-5.26136251e-04 -2.77732698e-13 -5.02581050e-13] [ 5.26136252e-04 -2.13107310e-13 -2.90545366e-13] [ 1.16409053e-13 2.31469590e-04 8.60554742e-05] [ 3.27932126e-13 -2.31469590e-04 -8.60554731e-05] [-1.46465739e-13 8.60554738e-05 2.31469592e-04] [ 2.24570362e-13 -8.60554740e-05 -2.31469590e-04] [-5.26136252e-04 -8.38974289e-13 -1.92174059e-13] [ 5.26136249e-04 -2.01377109e-13 -2.02269874e-13] [ 4.95940528e-13 2.31469589e-04 8.60554739e-05] [-2.14026279e-13 -2.31469591e-04 -8.60554742e-05] [-4.44224518e-13 8.60554737e-05 2.31469590e-04] [-1.04443797e-13 -8.60554731e-05 -2.31469591e-04] [-2.94089784e-04 3.36390843e-04 3.36390843e-04] [-3.29342951e-05 -4.53794974e-04 4.53794974e-04] [-3.29342942e-05 4.53794974e-04 -4.53794973e-04] [-2.94089783e-04 -3.36390845e-04 -3.36390843e-04] [ 3.29342946e-05 4.53794974e-04 -4.53794973e-04] [ 2.94089783e-04 -3.36390844e-04 -3.36390845e-04] [ 3.29342945e-05 -4.53794974e-04 4.53794974e-04] [ 2.94089784e-04 3.36390844e-04 3.36390845e-04] [-2.94089784e-04 3.36390845e-04 3.36390844e-04] [-3.29342943e-05 -4.53794974e-04 4.53794975e-04] [-3.29342945e-05 4.53794973e-04 -4.53794974e-04] [-2.94089783e-04 -3.36390844e-04 -3.36390844e-04] [ 3.29342951e-05 4.53794973e-04 -4.53794974e-04] [ 2.94089784e-04 -3.36390843e-04 -3.36390844e-04] [ 3.29342939e-05 -4.53794974e-04 4.53794974e-04] [ 2.94089783e-04 3.36390845e-04 3.36390845e-04] [-6.64357458e-13 2.11747286e-13 -1.56102908e-12] [ 2.02387889e-12 1.98511243e-12 -1.33990192e-13] [ 2.47790677e-12 1.29739582e-04 1.29739580e-04] [ 1.21615912e-12 -2.16794799e-04 2.16794793e-04] [ 6.53144205e-13 2.16794802e-04 -2.16794793e-04] [ 1.07722338e-12 -1.29739587e-04 -1.29739577e-04] [-2.16722160e-04 -1.39598076e-04 -1.49328558e-05] [-2.16722154e-04 1.39598077e-04 1.49328622e-05] [ 2.16722162e-04 -1.39598076e-04 -1.49328543e-05] [ 2.16722157e-04 1.39598076e-04 1.49328590e-05] [-2.16722151e-04 -1.49328657e-05 -1.39598075e-04] [ 2.16722152e-04 -1.49328641e-05 -1.39598074e-04] [-2.16722151e-04 1.49328656e-05 1.39598076e-04] [ 2.16722152e-04 1.49328634e-05 1.39598078e-04] [-1.20498793e-12 1.29739581e-04 1.29739584e-04] [-1.32659465e-12 -2.16794796e-04 2.16794798e-04] [-5.35650083e-13 2.16794791e-04 -2.16794803e-04] [-4.83855143e-13 -1.29739576e-04 -1.29739588e-04] [-2.16722151e-04 -1.39598076e-04 -1.49328651e-05] [-2.16722154e-04 1.39598077e-04 1.49328614e-05] [ 2.16722150e-04 -1.39598076e-04 -1.49328659e-05] [ 2.16722151e-04 1.39598075e-04 1.49328653e-05] [-2.16722160e-04 -1.49328563e-05 -1.39598078e-04] [ 2.16722157e-04 -1.49328589e-05 -1.39598078e-04] [-2.16722159e-04 1.49328582e-05 1.39598074e-04] [ 2.16722157e-04 1.49328595e-05 1.39598073e-04]] Final stress: [-1.85327993e-05 4.64689409e-07 4.64689406e-07 -9.26286844e-04 -7.18216081e-16 1.37990590e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18557814e-04 4.36071557e-04 1.13070038e-04] [-3.18557820e-04 -4.36071556e-04 -1.13070038e-04] [ 4.36071557e-04 3.18557819e-04 1.13070038e-04] [-4.36071556e-04 -3.18557817e-04 -1.13070037e-04] [-9.82514316e-05 -9.82514321e-05 -2.50246268e-04] [ 9.82514318e-05 9.82514304e-05 2.50246262e-04] [ 3.18557819e-04 4.36071557e-04 1.13070038e-04] [-3.18557817e-04 -4.36071556e-04 -1.13070038e-04] [ 4.36071557e-04 3.18557817e-04 1.13070037e-04] [-4.36071557e-04 -3.18557816e-04 -1.13070038e-04] [-9.82514319e-05 -9.82514314e-05 -2.50246256e-04] [ 9.82514309e-05 9.82514309e-05 2.50246268e-04] [-2.89280531e-04 -2.89280531e-04 -4.14342763e-05] [ 3.55266568e-04 3.55266569e-04 1.89763047e-04] [-1.71030758e-04 6.53316071e-05 1.53224849e-05] [ 6.53316077e-05 -1.71030758e-04 1.53224830e-05] [-3.55266571e-04 -3.55266572e-04 -1.89763044e-04] [ 2.89280536e-04 2.89280536e-04 4.14342822e-05] [ 1.71030762e-04 -6.53316106e-05 -1.53224815e-05] [-6.53316097e-05 1.71030761e-04 -1.53224810e-05] [-2.89280536e-04 -2.89280536e-04 -4.14342820e-05] [ 3.55266572e-04 3.55266570e-04 1.89763045e-04] [-1.71030763e-04 6.53316127e-05 1.53224813e-05] [ 6.53316087e-05 -1.71030761e-04 1.53224827e-05] [-3.55266568e-04 -3.55266569e-04 -1.89763045e-04] [ 2.89280531e-04 2.89280531e-04 4.14342783e-05] [ 1.71030757e-04 -6.53316073e-05 -1.53224842e-05] [-6.53316086e-05 1.71030760e-04 -1.53224824e-05] [ 4.05755984e-12 -2.11317075e-12 6.51184662e-12] [-4.58274911e-14 -1.79475221e-12 -9.38128778e-12] [ 2.03067932e-04 5.78615922e-05 2.60759474e-04] [-1.59738627e-04 -2.90320637e-04 -6.01743601e-05] [ 1.59738612e-04 2.90320614e-04 6.01743397e-05] [-2.03067948e-04 -5.78615706e-05 -2.60759489e-04] [ 5.78616074e-05 2.03067940e-04 2.60759460e-04] [ 2.90320633e-04 1.59738619e-04 6.01743551e-05] [-2.90320668e-04 -1.59738617e-04 -6.01743919e-05] [-5.78615992e-05 -2.03067941e-04 -2.60759462e-04] [-2.79232247e-04 -2.79232205e-04 -7.53430954e-05] [-2.19331873e-04 2.19331869e-04 -1.28671900e-11] [ 2.19331854e-04 -2.19331893e-04 -1.16311613e-11] [ 2.79232227e-04 2.79232227e-04 7.53430667e-05] [ 2.03067949e-04 5.78615907e-05 2.60759471e-04] [-1.59738610e-04 -2.90320636e-04 -6.01743605e-05] [ 1.59738627e-04 2.90320659e-04 6.01743805e-05] [-2.03067929e-04 -5.78616160e-05 -2.60759449e-04] [ 5.78615784e-05 2.03067943e-04 2.60759480e-04] [ 2.90320650e-04 1.59738619e-04 6.01743731e-05] [-2.90320605e-04 -1.59738619e-04 -6.01743320e-05] [-5.78615854e-05 -2.03067941e-04 -2.60759483e-04] [-2.79232208e-04 -2.79232245e-04 -7.53430708e-05] [-2.19331878e-04 2.19331869e-04 7.53261472e-12] [ 2.19331892e-04 -2.19331852e-04 1.01108095e-11] [ 2.79232219e-04 2.79232231e-04 7.53430901e-05]] Final stress: [-9.86331410e-06 -9.86331409e-06 9.14622213e-06 4.63166847e-04 4.63166847e-04 3.28893298e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18482185e-04 -4.36100485e-04 -1.19651115e-04] [-3.18482191e-04 4.36100485e-04 1.19651117e-04] [-4.36100484e-04 3.18482191e-04 1.19651116e-04] [ 4.36100485e-04 -3.18482185e-04 -1.19651117e-04] [ 9.15729901e-05 -9.15729905e-05 -2.48349218e-04] [-9.15729904e-05 9.15729903e-05 2.48349215e-04] [ 3.18482193e-04 -4.36100485e-04 -1.19651116e-04] [-3.18482184e-04 4.36100485e-04 1.19651117e-04] [-4.36100484e-04 3.18482189e-04 1.19651116e-04] [ 4.36100485e-04 -3.18482187e-04 -1.19651117e-04] [ 9.15729893e-05 -9.15729897e-05 -2.48349215e-04] [-9.15729906e-05 9.15729900e-05 2.48349218e-04] [ 6.09940440e-05 1.74711958e-04 -1.71699541e-05] [-1.74711955e-04 -6.09940436e-05 -1.71699569e-05] [ 3.42205324e-04 -3.42205326e-04 -1.99425406e-04] [-3.02728913e-04 3.02728913e-04 5.01615306e-05] [ 1.74711956e-04 6.09940438e-05 1.71699564e-05] [-6.09940445e-05 -1.74711953e-04 1.71699583e-05] [-3.42205322e-04 3.42205321e-04 1.99425413e-04] [ 3.02728914e-04 -3.02728915e-04 -5.01615339e-05] [ 6.09940427e-05 1.74711954e-04 -1.71699555e-05] [-1.74711953e-04 -6.09940442e-05 -1.71699571e-05] [ 3.42205321e-04 -3.42205320e-04 -1.99425410e-04] [-3.02728915e-04 3.02728915e-04 5.01615333e-05] [ 1.74711957e-04 6.09940442e-05 1.71699561e-05] [-6.09940444e-05 -1.74711956e-04 1.71699560e-05] [-3.42205325e-04 3.42205325e-04 1.99425407e-04] [ 3.02728912e-04 -3.02728912e-04 -5.01615313e-05] [ 3.65385500e-12 -6.44806430e-12 2.50313659e-12] [-8.54676789e-12 -1.95045701e-13 -2.83127762e-12] [-1.98678349e-04 5.05713878e-05 2.77268667e-04] [ 1.62247736e-04 -2.74309140e-04 -5.28174274e-05] [-1.62247745e-04 2.74309135e-04 5.28174278e-05] [ 1.98678340e-04 -5.05713761e-05 -2.77268678e-04] [ 2.74309093e-04 -1.62247738e-04 -5.28173825e-05] [ 5.05713327e-05 -1.98678343e-04 -2.77268724e-04] [-5.05713498e-05 1.98678349e-04 2.77268703e-04] [-2.74309105e-04 1.62247739e-04 5.28173959e-05] [ 2.17618518e-04 2.17618489e-04 -7.44859729e-12] [ 2.79146734e-04 -2.79146777e-04 -8.18719613e-05] [-2.79146733e-04 2.79146776e-04 8.18719544e-05] [-2.17618532e-04 -2.17618474e-04 -3.64656222e-12] [-1.98678336e-04 5.05713368e-05 2.77268718e-04] [ 1.62247746e-04 -2.74309096e-04 -5.28173861e-05] [-1.62247735e-04 2.74309096e-04 5.28173841e-05] [ 1.98678353e-04 -5.05713478e-05 -2.77268708e-04] [ 2.74309138e-04 -1.62247744e-04 -5.28174287e-05] [ 5.05713898e-05 -1.98678350e-04 -2.77268666e-04] [-5.05713742e-05 1.98678342e-04 2.77268679e-04] [-2.74309142e-04 1.62247737e-04 5.28174306e-05] [ 2.17618492e-04 2.17618513e-04 1.23460950e-12] [ 2.79146777e-04 -2.79146730e-04 -8.18719557e-05] [-2.79146770e-04 2.79146741e-04 8.18719585e-05] [-2.17618475e-04 -2.17618531e-04 3.57140619e-12]] Final stress: [-9.82931168e-06 -9.82931167e-06 9.10716188e-06 4.63138469e-04 -4.63138469e-04 -3.29681268e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18327607e-04 -4.36657984e-04 1.14527581e-04] [-3.18327616e-04 4.36657984e-04 -1.14527579e-04] [-4.36657983e-04 3.18327613e-04 -1.14527580e-04] [ 4.36657983e-04 -3.18327611e-04 1.14527579e-04] [-9.66378693e-05 9.66378693e-05 -2.50037874e-04] [ 9.66378696e-05 -9.66378682e-05 2.50037872e-04] [ 3.18327615e-04 -4.36657984e-04 1.14527581e-04] [-3.18327608e-04 4.36657983e-04 -1.14527580e-04] [-4.36657984e-04 3.18327610e-04 -1.14527580e-04] [ 4.36657984e-04 -3.18327612e-04 1.14527579e-04] [-9.66378690e-05 9.66378699e-05 -2.50037866e-04] [ 9.66378693e-05 -9.66378687e-05 2.50037876e-04] [ 1.71450063e-04 6.38829047e-05 -1.36079344e-05] [-6.38829020e-05 -1.71450062e-04 -1.36079364e-05] [ 2.91519842e-04 -2.91519845e-04 4.33395496e-05] [-3.51150792e-04 3.51150793e-04 -1.91974503e-04] [ 6.38829003e-05 1.71450061e-04 1.36079360e-05] [-1.71450060e-04 -6.38828971e-05 1.36079387e-05] [-2.91519839e-04 2.91519837e-04 -4.33395438e-05] [ 3.51150792e-04 -3.51150792e-04 1.91974500e-04] [ 1.71450059e-04 6.38828983e-05 -1.36079380e-05] [-6.38829015e-05 -1.71450063e-04 -1.36079365e-05] [ 2.91519838e-04 -2.91519840e-04 4.33395460e-05] [-3.51150793e-04 3.51150793e-04 -1.91974500e-04] [ 6.38829025e-05 1.71450061e-04 1.36079371e-05] [-1.71450063e-04 -6.38829034e-05 1.36079349e-05] [-2.91519842e-04 2.91519841e-04 -4.33395501e-05] [ 3.51150790e-04 -3.51150791e-04 1.91974503e-04] [ 6.92415569e-12 -1.56205604e-12 -1.20917165e-12] [-7.60881852e-12 1.88148786e-12 -8.55985165e-12] [-1.60121959e-04 2.97992055e-04 -7.05998497e-05] [ 2.01900939e-04 -6.81472133e-05 2.51391343e-04] [-2.01900943e-04 6.81471944e-05 -2.51391357e-04] [ 1.60121951e-04 -2.97992031e-04 7.05998303e-05] [ 6.81472978e-05 -2.01900941e-04 2.51391258e-04] [ 2.97992120e-04 -1.60121950e-04 7.05999169e-05] [-2.97992149e-04 1.60121953e-04 -7.05999458e-05] [-6.81472831e-05 2.01900944e-04 -2.51391269e-04] [ 2.21033640e-04 2.21033737e-04 -9.64550662e-12] [ 2.80279218e-04 -2.80279137e-04 7.75664610e-05] [-2.80279226e-04 2.80279128e-04 -7.75664791e-05] [-2.21033648e-04 -2.21033726e-04 -1.24328672e-11] [-1.60121948e-04 2.97992120e-04 -7.05999182e-05] [ 2.01900947e-04 -6.81472823e-05 2.51391270e-04] [-2.01900934e-04 6.81473028e-05 -2.51391252e-04] [ 1.60121960e-04 -2.97992143e-04 7.05999380e-05] [ 6.81471934e-05 -2.01900944e-04 2.51391357e-04] [ 2.97992059e-04 -1.60121955e-04 7.05998551e-05] [-2.97992032e-04 1.60121950e-04 -7.05998316e-05] [-6.81472078e-05 2.01900943e-04 -2.51391347e-04] [ 2.21033737e-04 2.21033640e-04 1.20325016e-11] [ 2.80279132e-04 -2.80279219e-04 7.75664796e-05] [-2.80279131e-04 2.80279224e-04 -7.75664614e-05] [-2.21033729e-04 -2.21033648e-04 8.77200829e-12]] Final stress: [-9.87820016e-06 -9.87820016e-06 9.17707430e-06 -4.63160973e-04 4.63160973e-04 -3.29008004e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18944167e-04 4.36440357e-04 -1.06833731e-04] [-3.18944176e-04 -4.36440358e-04 1.06833732e-04] [ 4.36440356e-04 3.18944174e-04 -1.06833732e-04] [-4.36440357e-04 -3.18944169e-04 1.06833731e-04] [ 1.04587126e-04 1.04587124e-04 -2.48801158e-04] [-1.04587124e-04 -1.04587125e-04 2.48801148e-04] [ 3.18944178e-04 4.36440357e-04 -1.06833732e-04] [-3.18944167e-04 -4.36440356e-04 1.06833733e-04] [ 4.36440356e-04 3.18944172e-04 -1.06833733e-04] [-4.36440357e-04 -3.18944171e-04 1.06833731e-04] [ 1.04587125e-04 1.04587124e-04 -2.48801148e-04] [-1.04587125e-04 -1.04587125e-04 2.48801158e-04] [-3.53193676e-04 -3.53193675e-04 1.99926171e-04] [ 2.91874744e-04 2.91874745e-04 -5.04388186e-05] [-7.22964233e-05 1.63621012e-04 1.70090419e-05] [ 1.63621014e-04 -7.22964256e-05 1.70090385e-05] [-2.91874746e-04 -2.91874745e-04 5.04388188e-05] [ 3.53193682e-04 3.53193684e-04 -1.99926166e-04] [ 7.22964279e-05 -1.63621020e-04 -1.70090348e-05] [-1.63621017e-04 7.22964261e-05 -1.70090388e-05] [-3.53193683e-04 -3.53193682e-04 1.99926167e-04] [ 2.91874747e-04 2.91874746e-04 -5.04388186e-05] [-7.22964299e-05 1.63621020e-04 1.70090344e-05] [ 1.63621017e-04 -7.22964256e-05 1.70090396e-05] [-2.91874744e-04 -2.91874744e-04 5.04388185e-05] [ 3.53193677e-04 3.53193678e-04 -1.99926171e-04] [ 7.22964222e-05 -1.63621013e-04 -1.70090428e-05] [-1.63621016e-04 7.22964250e-05 -1.70090378e-05] [ 7.25161597e-12 -5.20170018e-12 7.98375255e-12] [-9.48632665e-12 -1.14195471e-12 -9.92633543e-12] [ 1.60654201e-04 2.78893699e-04 -5.29305643e-05] [-2.01517897e-04 -5.07458138e-05 2.73123378e-04] [ 2.01517881e-04 5.07457852e-05 -2.73123400e-04] [-1.60654217e-04 -2.78893676e-04 5.29305460e-05] [ 2.78893584e-04 1.60654207e-04 -5.29304497e-05] [ 5.07456658e-05 2.01517883e-04 -2.73123522e-04] [-5.07457126e-05 -2.01517883e-04 2.73123477e-04] [-2.78893580e-04 -1.60654206e-04 5.29304502e-05] [-2.78807675e-04 -2.78807755e-04 7.75383638e-05] [-2.17749116e-04 2.17748991e-04 -1.27808753e-11] [ 2.17749106e-04 -2.17749009e-04 -1.13608428e-11] [ 2.78807653e-04 2.78807783e-04 -7.75383879e-05] [ 1.60654219e-04 2.78893568e-04 -5.29304361e-05] [-2.01517872e-04 -5.07456781e-05 2.73123508e-04] [ 2.01517897e-04 5.07456994e-05 -2.73123492e-04] [-1.60654194e-04 -2.78893597e-04 5.29304643e-05] [ 2.78893684e-04 1.60654205e-04 -5.29305560e-05] [ 5.07458174e-05 2.01517887e-04 -2.73123372e-04] [-5.07457787e-05 -2.01517890e-04 2.73123410e-04] [-2.78893695e-04 -1.60654209e-04 5.29305580e-05] [-2.78807762e-04 -2.78807673e-04 7.75383907e-05] [-2.17748988e-04 2.17749122e-04 1.42318518e-11] [ 2.17749011e-04 -2.17749101e-04 9.83115455e-12] [ 2.78807775e-04 2.78807656e-04 -7.75383645e-05]] Final stress: [-9.84460502e-06 -9.84460502e-06 9.11442005e-06 -4.63181171e-04 -4.63181171e-04 3.29167602e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.19223324e-04 1.13293542e-04 4.36305306e-04] [-3.19223332e-04 -1.13293542e-04 -4.36305307e-04] [-9.80435486e-05 -2.49656652e-04 -9.80435486e-05] [ 9.80435507e-05 2.49656653e-04 9.80435514e-05] [ 4.36305305e-04 1.13293542e-04 3.19223326e-04] [-4.36305306e-04 -1.13293543e-04 -3.19223329e-04] [ 3.19223328e-04 1.13293542e-04 4.36305305e-04] [-3.19223322e-04 -1.13293543e-04 -4.36305307e-04] [-9.80435487e-05 -2.49656642e-04 -9.80435493e-05] [ 9.80435497e-05 2.49656649e-04 9.80435504e-05] [ 4.36305306e-04 1.13293543e-04 3.19223326e-04] [-4.36305308e-04 -1.13293542e-04 -3.19223324e-04] [-2.97253132e-04 -4.96618697e-05 -2.97253132e-04] [-1.69243978e-04 1.67295168e-05 6.63393429e-05] [ 3.48064600e-04 1.99510472e-04 3.48064600e-04] [ 6.63393437e-05 1.67295140e-05 -1.69243978e-04] [ 1.69243981e-04 -1.67295144e-05 -6.63393463e-05] [ 2.97253137e-04 4.96618720e-05 2.97253137e-04] [-3.48064597e-04 -1.99510474e-04 -3.48064598e-04] [-6.63393441e-05 -1.67295159e-05 1.69243979e-04] [-2.97253134e-04 -4.96618764e-05 -2.97253136e-04] [-1.69243982e-04 1.67295173e-05 6.63393458e-05] [ 3.48064596e-04 1.99510475e-04 3.48064595e-04] [ 6.63393457e-05 1.67295188e-05 -1.69243980e-04] [ 1.69243982e-04 -1.67295187e-05 -6.63393448e-05] [ 2.97253133e-04 4.96618707e-05 2.97253131e-04] [-3.48064599e-04 -1.99510469e-04 -3.48064599e-04] [-6.63393464e-05 -1.67295162e-05 1.69243982e-04] [ 5.55028246e-12 -1.31009092e-12 3.41338069e-12] [-4.51714230e-12 -7.07768488e-12 -1.57977538e-12] [ 2.00113299e-04 2.63284627e-04 6.15344173e-05] [ 1.61537624e-04 6.41349189e-05 2.87679062e-04] [-1.61537647e-04 -6.41349255e-05 -2.87679069e-04] [-2.00113324e-04 -2.63284616e-04 -6.15344290e-05] [-2.78406507e-04 -7.99988584e-05 -2.78406496e-04] [ 2.18414421e-04 3.54144492e-12 -2.18414461e-04] [-2.18414463e-04 -1.76849334e-12 2.18414418e-04] [ 2.78406498e-04 7.99988590e-05 2.78406516e-04] [ 6.15344039e-05 2.63284639e-04 2.00113306e-04] [-2.87679067e-04 -6.41349253e-05 -1.61537637e-04] [ 2.87679056e-04 6.41349117e-05 1.61537627e-04] [-6.15344235e-05 -2.63284620e-04 -2.00113319e-04] [ 2.00113324e-04 2.63284616e-04 6.15344231e-05] [ 1.61537644e-04 6.41349260e-05 2.87679064e-04] [-1.61537623e-04 -6.41349124e-05 -2.87679056e-04] [-2.00113301e-04 -2.63284635e-04 -6.15344087e-05] [-2.78406502e-04 -7.99988604e-05 -2.78406503e-04] [ 2.18414453e-04 2.70178411e-13 -2.18414434e-04] [-2.18414429e-04 -3.12833136e-12 2.18414461e-04] [ 2.78406509e-04 7.99988597e-05 2.78406494e-04] [ 6.15344315e-05 2.63284607e-04 2.00113319e-04] [-2.87679057e-04 -6.41349110e-05 -1.61537627e-04] [ 2.87679079e-04 6.41349429e-05 1.61537637e-04] [-6.15344025e-05 -2.63284643e-04 -2.00113308e-04]] Final stress: [-9.85957268e-06 9.15483110e-06 -9.85957269e-06 4.63160200e-04 3.29441769e-06 4.63160200e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.19223540e-04 -1.19486557e-04 -4.35950695e-04] [-3.19223549e-04 1.19486554e-04 4.35950695e-04] [ 9.17369152e-05 -2.51444265e-04 -9.17369124e-05] [-9.17369112e-05 2.51444267e-04 9.17369129e-05] [-4.35950697e-04 1.19486557e-04 3.19223542e-04] [ 4.35950693e-04 -1.19486555e-04 -3.19223547e-04] [ 3.19223548e-04 -1.19486556e-04 -4.35950695e-04] [-3.19223537e-04 1.19486556e-04 4.35950694e-04] [ 9.17369144e-05 -2.51444264e-04 -9.17369124e-05] [-9.17369120e-05 2.51444267e-04 9.17369131e-05] [-4.35950697e-04 1.19486556e-04 3.19223548e-04] [ 4.35950694e-04 -1.19486555e-04 -3.19223540e-04] [ 5.95926897e-05 -1.52856315e-05 1.76133911e-04] [ 3.48607511e-04 -1.91675356e-04 -3.48607512e-04] [-1.76133906e-04 -1.52856357e-05 -5.95926825e-05] [-2.96520219e-04 4.24135821e-05 2.96520214e-04] [-3.48607510e-04 1.91675355e-04 3.48607508e-04] [-5.95926828e-05 1.52856359e-05 -1.76133904e-04] [ 1.76133909e-04 1.52856326e-05 5.95926908e-05] [ 2.96520216e-04 -4.24135800e-05 -2.96520220e-04] [ 5.95926860e-05 -1.52856375e-05 1.76133906e-04] [ 3.48607511e-04 -1.91675356e-04 -3.48607509e-04] [-1.76133910e-04 -1.52856303e-05 -5.95926883e-05] [-2.96520216e-04 4.24135838e-05 2.96520217e-04] [-3.48607511e-04 1.91675354e-04 3.48607511e-04] [-5.95926894e-05 1.52856315e-05 -1.76133909e-04] [ 1.76133906e-04 1.52856395e-05 5.95926851e-05] [ 2.96520215e-04 -4.24135817e-05 -2.96520218e-04] [ 8.29272762e-12 -1.02545750e-12 5.16514609e-12] [-9.02096627e-12 -3.45814050e-12 -6.93898782e-12] [-2.00950325e-04 2.46164685e-04 7.44708615e-05] [-1.61092825e-04 7.74702540e-05 3.03430172e-04] [ 1.61092806e-04 -7.74702611e-05 -3.03430174e-04] [ 2.00950307e-04 -2.46164671e-04 -7.44708772e-05] [ 2.20044794e-04 -2.14728235e-12 2.20044796e-04] [-2.78285306e-04 7.89965279e-05 2.78285282e-04] [ 2.78285279e-04 -7.89965272e-05 -2.78285314e-04] [-2.20044797e-04 1.37746411e-12 -2.20044783e-04] [ 3.03430159e-04 -7.74702445e-05 -1.61092818e-04] [-7.44708712e-05 2.46164675e-04 2.00950311e-04] [ 7.44708536e-05 -2.46164690e-04 -2.00950323e-04] [-3.03430179e-04 7.74702653e-05 1.61092805e-04] [-2.00950306e-04 2.46164674e-04 7.44708675e-05] [-1.61092803e-04 7.74702597e-05 3.03430172e-04] [ 1.61092822e-04 -7.74702477e-05 -3.03430163e-04] [ 2.00950328e-04 -2.46164689e-04 -7.44708572e-05] [ 2.20044794e-04 -2.55109192e-12 2.20044791e-04] [-2.78285282e-04 7.89965274e-05 2.78285308e-04] [ 2.78285310e-04 -7.89965327e-05 -2.78285280e-04] [-2.20044787e-04 -1.47089892e-12 -2.20044800e-04] [ 3.03430186e-04 -7.74702738e-05 -1.61092806e-04] [-7.44708591e-05 2.46164688e-04 2.00950324e-04] [ 7.44708712e-05 -2.46164670e-04 -2.00950313e-04] [-3.03430167e-04 7.74702504e-05 1.61092819e-04]] Final stress: [-9.88657178e-06 9.20728693e-06 -9.88657178e-06 4.63144623e-04 -3.29259674e-06 -4.63144623e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18359380e-04 1.10614295e-04 -4.35768690e-04] [-3.18359387e-04 -1.10614296e-04 4.35768689e-04] [-1.00786479e-04 -2.49892406e-04 1.00786481e-04] [ 1.00786481e-04 2.49892409e-04 -1.00786479e-04] [-4.35768690e-04 -1.10614296e-04 3.18359380e-04] [ 4.35768687e-04 1.10614296e-04 -3.18359386e-04] [ 3.18359383e-04 1.10614296e-04 -4.35768688e-04] [-3.18359379e-04 -1.10614297e-04 4.35768687e-04] [-1.00786478e-04 -2.49892400e-04 1.00786480e-04] [ 1.00786482e-04 2.49892407e-04 -1.00786479e-04] [-4.35768691e-04 -1.10614296e-04 3.18359386e-04] [ 4.35768688e-04 1.10614296e-04 -3.18359381e-04] [ 1.69541868e-04 -1.61279854e-05 6.75385289e-05] [ 2.85828075e-04 3.98975357e-05 -2.85828075e-04] [-6.75385244e-05 -1.61279878e-05 -1.69541866e-04] [-3.59327799e-04 -1.87668948e-04 3.59327798e-04] [-2.85828076e-04 -3.98975342e-05 2.85828073e-04] [-1.69541864e-04 1.61279883e-05 -6.75385249e-05] [ 6.75385259e-05 1.61279877e-05 1.69541868e-04] [ 3.59327796e-04 1.87668951e-04 -3.59327797e-04] [ 1.69541868e-04 -1.61279922e-05 6.75385252e-05] [ 2.85828073e-04 3.98975357e-05 -2.85828074e-04] [-6.75385285e-05 -1.61279853e-05 -1.69541868e-04] [-3.59327796e-04 -1.87668947e-04 3.59327796e-04] [-2.85828075e-04 -3.98975371e-05 2.85828074e-04] [-1.69541870e-04 1.61279854e-05 -6.75385266e-05] [ 6.75385256e-05 1.61279920e-05 1.69541866e-04] [ 3.59327796e-04 1.87668950e-04 -3.59327796e-04] [ 5.09228770e-12 -2.88324919e-12 3.84811627e-12] [ 2.49912504e-13 -5.57168318e-12 -3.53271217e-12] [-1.59074276e-04 -4.88119412e-05 2.81766631e-04] [-2.04331737e-04 -2.70598319e-04 4.68153311e-05] [ 2.04331718e-04 2.70598300e-04 -4.68153486e-05] [ 1.59074255e-04 4.88119513e-05 -2.81766639e-04] [ 2.18257243e-04 -4.78594941e-12 2.18257103e-04] [-2.79079732e-04 -7.30027388e-05 2.79079833e-04] [ 2.79079693e-04 7.30027307e-05 -2.79079875e-04] [-2.18257246e-04 -3.26012481e-12 -2.18257089e-04] [ 4.68151796e-05 2.70598469e-04 -2.04331733e-04] [-2.81766492e-04 -4.88118066e-05 1.59074258e-04] [ 2.81766472e-04 4.88117845e-05 -1.59074272e-04] [-4.68151934e-05 -2.70598453e-04 2.04331719e-04] [-1.59074251e-04 -4.88118061e-05 2.81766489e-04] [-2.04331716e-04 -2.70598449e-04 4.68151969e-05] [ 2.04331736e-04 2.70598471e-04 -4.68151776e-05] [ 1.59074272e-04 4.88117936e-05 -2.81766483e-04] [ 2.18257097e-04 1.76174542e-12 2.18257248e-04] [-2.79079843e-04 -7.30027360e-05 2.79079718e-04] [ 2.79079875e-04 7.30027374e-05 -2.79079689e-04] [-2.18257092e-04 5.83083928e-13 -2.18257251e-04] [ 4.68153437e-05 2.70598300e-04 -2.04331722e-04] [-2.81766618e-04 -4.88119287e-05 1.59074273e-04] [ 2.81766646e-04 4.88119610e-05 -1.59074258e-04] [-4.68153287e-05 -2.70598324e-04 2.04331738e-04]] Final stress: [-9.84642635e-06 9.10772119e-06 -9.84642636e-06 -4.63175861e-04 -3.28669041e-06 4.63175861e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.18306684e-04 -1.04931524e-04 4.37554122e-04] [-3.18306689e-04 1.04931524e-04 -4.37554122e-04] [ 1.06347158e-04 -2.49228162e-04 1.06347157e-04] [-1.06347156e-04 2.49228169e-04 -1.06347157e-04] [ 4.37554123e-04 -1.04931525e-04 3.18306683e-04] [-4.37554123e-04 1.04931522e-04 -3.18306688e-04] [ 3.18306687e-04 -1.04931522e-04 4.37554123e-04] [-3.18306684e-04 1.04931524e-04 -4.37554123e-04] [ 1.06347156e-04 -2.49228166e-04 1.06347158e-04] [-1.06347157e-04 2.49228161e-04 -1.06347158e-04] [ 4.37554121e-04 -1.04931524e-04 3.18306692e-04] [-4.37554123e-04 1.04931523e-04 -3.18306682e-04] [-3.55988209e-04 1.95718383e-04 -3.55988209e-04] [-7.27076753e-05 1.28980679e-05 1.62302849e-04] [ 2.85605877e-04 -4.68991252e-05 2.85605874e-04] [ 1.62302850e-04 1.28980705e-05 -7.27076746e-05] [ 7.27076716e-05 -1.28980720e-05 -1.62302848e-04] [ 3.55988214e-04 -1.95718381e-04 3.55988211e-04] [-2.85605868e-04 4.68991188e-05 -2.85605869e-04] [-1.62302850e-04 -1.28980702e-05 7.27076728e-05] [-3.55988210e-04 1.95718381e-04 -3.55988211e-04] [-7.27076732e-05 1.28980720e-05 1.62302848e-04] [ 2.85605869e-04 -4.68991199e-05 2.85605868e-04] [ 1.62302848e-04 1.28980711e-05 -7.27076729e-05] [ 7.27076751e-05 -1.28980699e-05 -1.62302851e-04] [ 3.55988210e-04 -1.95718383e-04 3.55988211e-04] [-2.85605874e-04 4.68991255e-05 -2.85605875e-04] [-1.62302850e-04 -1.28980690e-05 7.27076756e-05] [ 3.87498367e-12 -6.95937752e-12 3.95103394e-12] [-2.97538166e-12 3.18406993e-12 -1.01356055e-11] [ 1.59387433e-04 -6.77383125e-05 2.96023198e-04] [ 2.03051038e-04 -2.53598635e-04 6.55012748e-05] [-2.03051054e-04 2.53598639e-04 -6.55012687e-05] [-1.59387444e-04 6.77383364e-05 -2.96023223e-04] [-2.81259770e-04 7.59202294e-05 -2.81259612e-04] [ 2.21594755e-04 1.02942776e-11 -2.21594933e-04] [-2.21594778e-04 8.56112750e-12 2.21594908e-04] [ 2.81259768e-04 -7.59202079e-05 2.81259621e-04] [ 2.96023344e-04 -6.77384619e-05 1.59387438e-04] [-6.55014170e-05 2.53598488e-04 -2.03051055e-04] [ 6.55014321e-05 -2.53598480e-04 2.03051044e-04] [-2.96023377e-04 6.77384903e-05 -1.59387446e-04] [ 1.59387447e-04 -6.77384916e-05 2.96023379e-04] [ 2.03051055e-04 -2.53598488e-04 6.55014155e-05] [-2.03051041e-04 2.53598479e-04 -6.55014334e-05] [-1.59387436e-04 6.77384614e-05 -2.96023344e-04] [-2.81259617e-04 7.59202096e-05 -2.81259769e-04] [ 2.21594930e-04 -6.69530013e-12 -2.21594757e-04] [-2.21594912e-04 -7.34412834e-12 2.21594777e-04] [ 2.81259617e-04 -7.59202282e-05 2.81259765e-04] [ 2.96023224e-04 -6.77383395e-05 1.59387445e-04] [-6.55012739e-05 2.53598638e-04 -2.03051040e-04] [ 6.55012703e-05 -2.53598635e-04 2.03051053e-04] [-2.96023194e-04 6.77383076e-05 -1.59387434e-04]] Final stress: [-9.88118476e-06 9.16663813e-06 -9.88118476e-06 -4.63190199e-04 3.28948794e-06 -4.63190199e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.38592345e-04 -3.82485276e-13 -3.02470276e-04] [-5.38592340e-04 -6.20226093e-13 3.02470276e-04] [ 9.62832244e-13 -1.09590418e-03 -8.57454299e-13] [-1.02906572e-12 1.09590418e-03 -3.61349839e-13] [-3.02470277e-04 -3.63884270e-13 5.38592345e-04] [ 3.02470276e-04 -1.81327175e-13 -5.38592343e-04] [ 5.38592344e-04 1.98167004e-13 -3.02470275e-04] [-5.38592345e-04 6.74969629e-13 3.02470278e-04] [ 1.99962009e-13 -1.09590418e-03 -3.93612368e-13] [ 5.95412608e-13 1.09590418e-03 -1.35495606e-13] [-3.02470274e-04 1.04041632e-12 5.38592342e-04] [ 3.02470277e-04 -3.14180058e-13 -5.38592345e-04] [ 8.03947590e-04 -9.79967228e-05 8.03947589e-04] [-9.57318861e-04 5.18809351e-04 9.57318862e-04] [-8.03947593e-04 -9.79967198e-05 -8.03947592e-04] [ 9.57318862e-04 5.18809352e-04 -9.57318862e-04] [ 9.57318862e-04 -5.18809352e-04 -9.57318862e-04] [-8.03947593e-04 9.79967175e-05 -8.03947592e-04] [ 8.03947590e-04 9.79967201e-05 8.03947589e-04] [-9.57318861e-04 -5.18809352e-04 9.57318861e-04] [ 8.03947592e-04 -9.79967184e-05 8.03947594e-04] [-9.57318861e-04 5.18809351e-04 9.57318863e-04] [-8.03947590e-04 -9.79967207e-05 -8.03947590e-04] [ 9.57318861e-04 5.18809352e-04 -9.57318861e-04] [ 9.57318864e-04 -5.18809351e-04 -9.57318862e-04] [-8.03947589e-04 9.79967220e-05 -8.03947589e-04] [ 8.03947590e-04 9.79967178e-05 8.03947590e-04] [-9.57318860e-04 -5.18809351e-04 9.57318861e-04] [-3.50497409e-12 -1.31838984e-12 -2.53627674e-12] [ 1.97177821e-12 1.18781239e-12 4.44702903e-12] [ 1.70981432e-05 8.33930099e-07 -4.72072587e-04] [ 1.70981440e-05 -8.33930828e-07 -4.72072587e-04] [-1.70981407e-05 8.33938541e-07 4.72072593e-04] [-1.70981387e-05 -8.33941003e-07 4.72072596e-04] [ 4.09638446e-04 4.52882176e-12 4.09638395e-04] [ 3.23272991e-04 -6.86619164e-13 -3.23272930e-04] [-3.23272977e-04 -3.62323019e-13 3.23272945e-04] [-4.09638447e-04 -3.73154632e-13 -4.09638398e-04] [-4.72072637e-04 8.33980890e-07 1.70981451e-05] [ 4.72072640e-04 8.33987447e-07 -1.70981405e-05] [-4.72072637e-04 -8.33980605e-07 1.70981500e-05] [ 4.72072642e-04 -8.33989291e-07 -1.70981386e-05] [ 1.70981376e-05 8.33989665e-07 -4.72072642e-04] [ 1.70981392e-05 -8.33986835e-07 -4.72072641e-04] [-1.70981471e-05 8.33978659e-07 4.72072633e-04] [-1.70981483e-05 -8.33982136e-07 4.72072639e-04] [ 4.09638398e-04 2.79191960e-12 4.09638445e-04] [ 3.23272931e-04 -3.40137423e-13 -3.23272989e-04] [-3.23272946e-04 8.51165926e-13 3.23272977e-04] [-4.09638391e-04 1.91199660e-12 -4.09638450e-04] [-4.72072594e-04 8.33940478e-07 1.70981377e-05] [ 4.72072588e-04 8.33931716e-07 -1.70981446e-05] [-4.72072592e-04 -8.33936804e-07 1.70981403e-05] [ 4.72072589e-04 -8.33932182e-07 -1.70981460e-05]] Final stress: [ 6.68436543e-06 -3.84655446e-05 6.68436543e-06 2.85956403e-16 9.26840985e-04 1.72238857e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 2.57733345e-03 -3.51178288e-12 2.32819928e-03] [-2.57733342e-03 -2.38967179e-12 -2.32819927e-03] [ 2.90020785e-12 -5.23680005e-03 -2.51406101e-12] [ 1.00672248e-12 5.23680003e-03 2.94403391e-12] [ 2.32819929e-03 3.31560040e-12 2.57733345e-03] [-2.32819928e-03 -6.23923135e-12 -2.57733341e-03] [ 2.57733341e-03 4.30047794e-12 2.32819928e-03] [-2.57733345e-03 -6.53587861e-13 -2.32819928e-03] [-6.55667664e-12 -5.23680004e-03 -1.20556923e-12] [-7.65834878e-13 5.23680004e-03 -4.54874869e-13] [ 2.32819928e-03 -5.46254879e-12 2.57733342e-03] [-2.32819928e-03 6.25626499e-13 -2.57733345e-03] [ 3.52011877e-03 -3.85163134e-03 3.52011878e-03] [-4.78966395e-03 -1.49423286e-03 4.78966396e-03] [-3.52011879e-03 -3.85163132e-03 -3.52011879e-03] [ 4.78966397e-03 -1.49423285e-03 -4.78966396e-03] [ 4.78966396e-03 1.49423285e-03 -4.78966395e-03] [-3.52011878e-03 3.85163132e-03 -3.52011879e-03] [ 3.52011877e-03 3.85163133e-03 3.52011878e-03] [-4.78966395e-03 1.49423285e-03 4.78966397e-03] [ 3.52011878e-03 -3.85163132e-03 3.52011878e-03] [-4.78966397e-03 -1.49423285e-03 4.78966397e-03] [-3.52011878e-03 -3.85163132e-03 -3.52011877e-03] [ 4.78966395e-03 -1.49423285e-03 -4.78966396e-03] [ 4.78966395e-03 1.49423286e-03 -4.78966396e-03] [-3.52011878e-03 3.85163133e-03 -3.52011877e-03] [ 3.52011879e-03 3.85163131e-03 3.52011879e-03] [-4.78966396e-03 1.49423286e-03 4.78966396e-03] [-2.60597099e-12 1.09078024e-11 -2.63393751e-11] [ 2.43920522e-11 6.85926707e-12 2.67516473e-11] [-1.13533161e-03 -1.26310579e-03 -7.43297942e-04] [-1.13533162e-03 1.26310578e-03 -7.43297943e-04] [ 1.13533166e-03 -1.26310575e-03 7.43297968e-04] [ 1.13533167e-03 1.26310572e-03 7.43297998e-04] [ 2.16400852e-03 3.33943984e-12 2.16400854e-03] [ 1.61665968e-03 -1.22148992e-11 -1.61665964e-03] [-1.61665959e-03 -1.24048220e-11 1.61665972e-03] [-2.16400852e-03 -1.23583088e-12 -2.16400856e-03] [-7.43297901e-04 -1.26310582e-03 -1.13533161e-03] [ 7.43297953e-04 -1.26310576e-03 1.13533165e-03] [-7.43297927e-04 1.26310580e-03 -1.13533161e-03] [ 7.43297966e-04 1.26310575e-03 1.13533166e-03] [-1.13533166e-03 -1.26310576e-03 -7.43297964e-04] [-1.13533165e-03 1.26310579e-03 -7.43297940e-04] [ 1.13533161e-03 -1.26310580e-03 7.43297909e-04] [ 1.13533159e-03 1.26310581e-03 7.43297910e-04] [ 2.16400854e-03 1.34563651e-11 2.16400853e-03] [ 1.61665962e-03 5.71653272e-12 -1.61665969e-03] [-1.61665971e-03 2.43964796e-11 1.61665960e-03] [-2.16400853e-03 4.68363716e-12 -2.16400852e-03] [-7.43297993e-04 -1.26310572e-03 -1.13533168e-03] [ 7.43297942e-04 -1.26310577e-03 1.13533161e-03] [-7.43297980e-04 1.26310573e-03 -1.13533165e-03] [ 7.43297930e-04 1.26310578e-03 1.13533162e-03]] Final stress: [ 3.68342183e-05 -1.57000739e-04 3.68342183e-05 -3.06738118e-15 -9.30772933e-04 1.79554020e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.49792976e-04 -9.96983921e-05 -9.96983918e-05] [ 2.49792961e-04 9.96983917e-05 9.96983912e-05] [ 1.11717189e-04 3.18128960e-04 4.35187561e-04] [-1.11717189e-04 -3.18128963e-04 -4.35187560e-04] [ 1.11717189e-04 4.35187560e-04 3.18128960e-04] [-1.11717189e-04 -4.35187558e-04 -3.18128967e-04] [-2.49792959e-04 -9.96983913e-05 -9.96983923e-05] [ 2.49792976e-04 9.96983927e-05 9.96983919e-05] [ 1.11717189e-04 3.18128967e-04 4.35187559e-04] [-1.11717189e-04 -3.18128963e-04 -4.35187559e-04] [ 1.11717188e-04 4.35187559e-04 3.18128961e-04] [-1.11717189e-04 -4.35187560e-04 -3.18128963e-04] [-3.72297981e-05 -2.84659957e-04 -2.84659958e-04] [ 1.70262771e-05 -1.71377995e-04 6.64413496e-05] [ 1.70262763e-05 6.64413512e-05 -1.71377995e-04] [ 1.84380136e-04 3.61290068e-04 3.61290070e-04] [-1.70262724e-05 1.71378001e-04 -6.64413558e-05] [ 3.72298037e-05 2.84659963e-04 2.84659965e-04] [-1.70262740e-05 -6.64413558e-05 1.71378000e-04] [-1.84380134e-04 -3.61290072e-04 -3.61290075e-04] [-3.72298040e-05 -2.84659963e-04 -2.84659962e-04] [ 1.70262734e-05 -1.71378000e-04 6.64413549e-05] [ 1.70262734e-05 6.64413559e-05 -1.71378001e-04] [ 1.84380135e-04 3.61290074e-04 3.61290071e-04] [-1.70262759e-05 1.71377995e-04 -6.64413512e-05] [ 3.72297975e-05 2.84659957e-04 2.84659955e-04] [-1.70262769e-05 -6.64413507e-05 1.71377995e-04] [-1.84380136e-04 -3.61290071e-04 -3.61290069e-04] [ 1.20901900e-11 3.51768614e-12 5.95715144e-12] [-1.46884267e-11 -3.90053905e-12 8.99234717e-13] [-7.14136762e-05 -2.78677089e-04 -2.78677172e-04] [-1.48193090e-11 -2.17135843e-04 2.17135746e-04] [-1.50806728e-11 2.17135836e-04 -2.17135753e-04] [ 7.14136456e-05 2.78677084e-04 2.78677177e-04] [ 2.78890181e-04 2.05087297e-04 3.75387594e-05] [-3.93120317e-05 -1.58698210e-04 -2.74512289e-04] [ 3.93120021e-05 1.58698206e-04 2.74512258e-04] [-2.78890202e-04 -2.05087304e-04 -3.75387314e-05] [ 2.78890270e-04 3.75386726e-05 2.05087298e-04] [ 3.93119148e-05 2.74512172e-04 1.58698206e-04] [-3.93119408e-05 -2.74512202e-04 -1.58698203e-04] [-2.78890292e-04 -3.75386444e-05 -2.05087297e-04] [-7.14136464e-05 -2.78677172e-04 -2.78677088e-04] [ 1.48682672e-11 -2.17135748e-04 2.17135841e-04] [ 1.40895546e-11 2.17135750e-04 -2.17135838e-04] [ 7.14136776e-05 2.78677172e-04 2.78677088e-04] [ 2.78890294e-04 2.05087301e-04 3.75386428e-05] [-3.93119165e-05 -1.58698204e-04 -2.74512172e-04] [ 3.93119385e-05 1.58698206e-04 2.74512201e-04] [-2.78890269e-04 -2.05087296e-04 -3.75386732e-05] [ 2.78890200e-04 3.75387332e-05 2.05087302e-04] [ 3.93120345e-05 2.74512293e-04 1.58698209e-04] [-3.93120011e-05 -2.74512256e-04 -1.58698205e-04] [-2.78890183e-04 -3.75387573e-05 -2.05087297e-04]] Final stress: [ 9.07481695e-06 -9.82929995e-06 -9.82929995e-06 3.28461527e-06 4.63173770e-04 4.63173770e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.49142621e-04 1.03247419e-04 -1.03247416e-04] [ 2.49142612e-04 -1.03247416e-04 1.03247418e-04] [-1.08290295e-04 3.19056169e-04 -4.35725074e-04] [ 1.08290295e-04 -3.19056167e-04 4.35725074e-04] [ 1.08290295e-04 -4.35725076e-04 3.19056165e-04] [-1.08290295e-04 4.35725072e-04 -3.19056170e-04] [-2.49142610e-04 1.03247419e-04 -1.03247416e-04] [ 2.49142624e-04 -1.03247415e-04 1.03247417e-04] [-1.08290295e-04 3.19056167e-04 -4.35725074e-04] [ 1.08290295e-04 -3.19056168e-04 4.35725073e-04] [ 1.08290295e-04 -4.35725076e-04 3.19056173e-04] [-1.08290296e-04 4.35725073e-04 -3.19056167e-04] [-1.85672251e-05 7.09823398e-05 1.66007586e-04] [-1.96240303e-04 3.55867378e-04 -3.55867379e-04] [ 4.72380108e-05 -2.91034417e-04 2.91034415e-04] [-1.85672254e-05 -1.66007583e-04 -7.09823389e-05] [ 1.96240302e-04 -3.55867376e-04 3.55867374e-04] [ 1.85672276e-05 -7.09823341e-05 -1.66007579e-04] [-4.72380041e-05 2.91034409e-04 -2.91034411e-04] [ 1.85672280e-05 1.66007581e-04 7.09823366e-05] [-1.85672281e-05 7.09823351e-05 1.66007582e-04] [-1.96240303e-04 3.55867377e-04 -3.55867377e-04] [ 4.72380045e-05 -2.91034411e-04 2.91034410e-04] [-1.85672270e-05 -1.66007582e-04 -7.09823352e-05] [ 1.96240302e-04 -3.55867377e-04 3.55867376e-04] [ 1.85672230e-05 -7.09823404e-05 -1.66007583e-04] [-4.72380084e-05 2.91034416e-04 -2.91034418e-04] [ 1.85672283e-05 1.66007585e-04 7.09823390e-05] [ 5.87871418e-12 -1.44564916e-12 6.62403465e-12] [-1.14687344e-11 6.74455473e-14 -4.72297204e-12] [-1.31032962e-11 2.16185563e-04 2.16185535e-04] [-7.57196215e-05 2.77831691e-04 -2.77831700e-04] [ 7.57195983e-05 -2.77831690e-04 2.77831703e-04] [-1.01751177e-11 -2.16185545e-04 -2.16185547e-04] [ 2.81629854e-04 -2.02438213e-04 4.12272191e-05] [-4.32863745e-05 1.60398762e-04 -2.71912368e-04] [ 4.32863507e-05 -1.60398753e-04 2.71912340e-04] [-2.81629871e-04 2.02438224e-04 -4.12271970e-05] [-4.32863684e-05 2.71912356e-04 -1.60398758e-04] [-2.81629874e-04 4.12271895e-05 -2.02438219e-04] [ 2.81629868e-04 -4.12272047e-05 2.02438212e-04] [ 4.32863385e-05 -2.71912328e-04 1.60398749e-04] [ 1.15292064e-11 2.16185535e-04 2.16185563e-04] [-7.57195970e-05 2.77831698e-04 -2.77831699e-04] [ 7.57196192e-05 -2.77831701e-04 2.77831689e-04] [ 1.18305608e-11 -2.16185546e-04 -2.16185546e-04] [ 2.81629877e-04 -2.02438219e-04 4.12271901e-05] [-4.32863381e-05 1.60398750e-04 -2.71912328e-04] [ 4.32863651e-05 -1.60398759e-04 2.71912355e-04] [-2.81629867e-04 2.02438212e-04 -4.12272057e-05] [-4.32863495e-05 2.71912336e-04 -1.60398755e-04] [-2.81629857e-04 4.12272154e-05 -2.02438214e-04] [ 2.81629868e-04 -4.12272012e-05 2.02438220e-04] [ 4.32863778e-05 -2.71912373e-04 1.60398760e-04]] Final stress: [ 9.08644640e-06 -9.82962164e-06 -9.82962164e-06 -3.29091819e-06 4.63178326e-04 -4.63178326e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.49829676e-04 -1.04939220e-04 1.04939222e-04] [ 2.49829672e-04 1.04939222e-04 -1.04939221e-04] [ 1.06467093e-04 3.18623674e-04 -4.36330969e-04] [-1.06467094e-04 -3.18623671e-04 4.36330968e-04] [-1.06467094e-04 -4.36330969e-04 3.18623667e-04] [ 1.06467095e-04 4.36330967e-04 -3.18623677e-04] [-2.49829668e-04 -1.04939220e-04 1.04939221e-04] [ 2.49829675e-04 1.04939220e-04 -1.04939220e-04] [ 1.06467092e-04 3.18623674e-04 -4.36330968e-04] [-1.06467095e-04 -3.18623669e-04 4.36330968e-04] [-1.06467093e-04 -4.36330969e-04 3.18623675e-04] [ 1.06467094e-04 4.36330968e-04 -3.18623666e-04] [-1.55023872e-05 1.64976234e-04 7.14412253e-05] [ 4.32378870e-05 2.84947534e-04 -2.84947535e-04] [-1.91656400e-04 -3.59497918e-04 3.59497916e-04] [-1.55023906e-05 -7.14412213e-05 -1.64976229e-04] [-4.32378883e-05 -2.84947534e-04 2.84947534e-04] [ 1.55023915e-05 -1.64976227e-04 -7.14412190e-05] [ 1.91656404e-04 3.59497912e-04 -3.59497915e-04] [ 1.55023897e-05 7.14412241e-05 1.64976232e-04] [-1.55023931e-05 1.64976230e-04 7.14412200e-05] [ 4.32378888e-05 2.84947536e-04 -2.84947535e-04] [-1.91656402e-04 -3.59497913e-04 3.59497912e-04] [-1.55023887e-05 -7.14412245e-05 -1.64976230e-04] [-4.32378845e-05 -2.84947534e-04 2.84947534e-04] [ 1.55023879e-05 -1.64976232e-04 -7.14412254e-05] [ 1.91656397e-04 3.59497917e-04 -3.59497916e-04] [ 1.55023918e-05 7.14412228e-05 1.64976232e-04] [ 2.65418243e-12 -3.05380721e-12 8.38193404e-12] [-5.20991323e-12 -6.26882035e-12 -7.21681104e-12] [-7.78477283e-12 2.19042705e-04 2.19042598e-04] [ 7.37137362e-05 2.79324513e-04 -2.79324613e-04] [-7.37137495e-05 -2.79324536e-04 2.79324593e-04] [-3.93246199e-12 -2.19042674e-04 -2.19042621e-04] [-5.57667058e-05 -1.59165167e-04 2.87177220e-04] [ 2.64448166e-04 2.04051751e-04 -5.36103910e-05] [-2.64448202e-04 -2.04051750e-04 5.36103564e-05] [ 5.57667155e-05 1.59165165e-04 -2.87177227e-04] [ 2.64448254e-04 5.36103041e-05 -2.04051756e-04] [ 5.57666286e-05 2.87177138e-04 -1.59165176e-04] [-5.57666291e-05 -2.87177147e-04 1.59165152e-04] [-2.64448266e-04 -5.36102923e-05 2.04051734e-04] [ 3.29879223e-12 2.19042598e-04 2.19042702e-04] [ 7.37137414e-05 2.79324612e-04 -2.79324517e-04] [-7.37137303e-05 -2.79324590e-04 2.79324535e-04] [ 7.39582701e-12 -2.19042622e-04 -2.19042680e-04] [-5.57666396e-05 -1.59165169e-04 2.87177146e-04] [ 2.64448276e-04 2.04051743e-04 -5.36102817e-05] [-2.64448243e-04 -2.04051747e-04 5.36103138e-05] [ 5.57666189e-05 1.59165165e-04 -2.87177136e-04] [ 2.64448185e-04 5.36103713e-05 -2.04051733e-04] [ 5.57667112e-05 2.87177223e-04 -1.59165158e-04] [-5.57666991e-05 -2.87177212e-04 1.59165182e-04] [-2.64448170e-04 -5.36103872e-05 2.04051757e-04]] Final stress: [ 9.13061955e-06 -9.86014032e-06 -9.86014032e-06 -3.28722734e-06 -4.63187444e-04 4.63187444e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.49086190e-04 1.03215212e-04 1.03215213e-04] [ 2.49086183e-04 -1.03215212e-04 -1.03215212e-04] [-1.08129974e-04 3.17780666e-04 4.35902954e-04] [ 1.08129975e-04 -3.17780657e-04 -4.35902955e-04] [-1.08129975e-04 4.35902955e-04 3.17780662e-04] [ 1.08129975e-04 -4.35902955e-04 -3.17780665e-04] [-2.49086180e-04 1.03215212e-04 1.03215212e-04] [ 2.49086192e-04 -1.03215210e-04 -1.03215210e-04] [-1.08129974e-04 3.17780664e-04 4.35902954e-04] [ 1.08129974e-04 -3.17780664e-04 -4.35902956e-04] [-1.08129974e-04 4.35902955e-04 3.17780660e-04] [ 1.08129974e-04 -4.35902955e-04 -3.17780662e-04] [ 1.86798958e-04 -3.61374352e-04 -3.61374352e-04] [ 1.55493193e-05 -6.96145036e-05 1.67470764e-04] [ 1.55493200e-05 1.67470765e-04 -6.96145018e-05] [-3.95813625e-05 2.82670869e-04 2.82670869e-04] [-1.55493165e-05 6.96145057e-05 -1.67470767e-04] [-1.86798958e-04 3.61374353e-04 3.61374354e-04] [-1.55493175e-05 -1.67470769e-04 6.96145051e-05] [ 3.95813661e-05 -2.82670874e-04 -2.82670874e-04] [ 1.86798957e-04 -3.61374353e-04 -3.61374351e-04] [ 1.55493190e-05 -6.96145053e-05 1.67470766e-04] [ 1.55493167e-05 1.67470768e-04 -6.96145082e-05] [-3.95813651e-05 2.82670874e-04 2.82670875e-04] [-1.55493169e-05 6.96145026e-05 -1.67470767e-04] [-1.86798957e-04 3.61374352e-04 3.61374352e-04] [-1.55493208e-05 -1.67470764e-04 6.96145015e-05] [ 3.95813628e-05 -2.82670869e-04 -2.82670869e-04] [ 5.75159365e-12 -8.01494981e-12 1.05787601e-12] [-9.59320861e-12 2.39274583e-13 3.29309525e-12] [ 7.16755731e-05 -2.79951767e-04 -2.79951693e-04] [-7.73943062e-12 -2.18380694e-04 2.18380793e-04] [-1.32667922e-11 2.18380688e-04 -2.18380794e-04] [-7.16755917e-05 2.79951788e-04 2.79951674e-04] [-4.20721544e-05 1.58420274e-04 2.76510860e-04] [ 2.76021679e-04 -2.05072825e-04 -4.04264882e-05] [-2.76021701e-04 2.05072834e-04 4.04264648e-05] [ 4.20721428e-05 -1.58420267e-04 -2.76510847e-04] [-4.20722569e-05 2.76510964e-04 1.58420266e-04] [-2.76021593e-04 4.04265728e-05 2.05072829e-04] [ 2.76021589e-04 -4.04265812e-05 -2.05072838e-04] [ 4.20722346e-05 -2.76510942e-04 -1.58420272e-04] [ 7.16755854e-05 -2.79951685e-04 -2.79951772e-04] [ 7.31963145e-12 -2.18380794e-04 2.18380691e-04] [ 8.69162251e-12 2.18380791e-04 -2.18380694e-04] [-7.16755690e-05 2.79951676e-04 2.79951788e-04] [-4.20722428e-05 1.58420267e-04 2.76510946e-04] [ 2.76021602e-04 -2.05072836e-04 -4.04265655e-05] [-2.76021575e-04 2.05072827e-04 4.04265932e-05] [ 4.20722422e-05 -1.58420279e-04 -2.76510953e-04] [-4.20721355e-05 2.76510839e-04 1.58420275e-04] [-2.76021684e-04 4.04264836e-05 2.05072831e-04] [ 2.76021693e-04 -4.04264711e-05 -2.05072824e-04] [ 4.20721605e-05 -2.76510867e-04 -1.58420266e-04]] Final stress: [ 9.07935053e-06 -9.83535605e-06 -9.83535605e-06 3.28403942e-06 -4.63184341e-04 -4.63184341e-04] Minimization converged after 43 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.20629552e-03 3.86850410e-03 5.40593091e-12] [-5.20629544e-03 -3.86850409e-03 1.12981846e-12] [ 3.86850410e-03 5.20629547e-03 -1.31564204e-12] [-3.86850410e-03 -5.20629551e-03 1.41964218e-12] [-1.06995133e-11 -2.58498474e-12 -7.75343169e-03] [-6.64635014e-12 -1.26987032e-11 7.75343174e-03] [ 5.20629544e-03 3.86850409e-03 7.78764372e-13] [-5.20629552e-03 -3.86850410e-03 1.07548152e-12] [ 3.86850411e-03 5.20629549e-03 7.76553952e-12] [-3.86850410e-03 -5.20629550e-03 -2.57833214e-12] [ 4.14523147e-12 -7.87153464e-12 -7.75343175e-03] [-6.23767878e-12 -8.55591189e-13 7.75343173e-03] [ 1.13447786e-02 1.13447786e-02 -3.71174909e-03] [-1.13447786e-02 -1.13447786e-02 -3.71174908e-03] [-2.85780277e-03 2.85780278e-03 1.60068065e-03] [ 2.85780275e-03 -2.85780274e-03 1.60068067e-03] [ 1.13447786e-02 1.13447786e-02 3.71174910e-03] [-1.13447786e-02 -1.13447786e-02 3.71174907e-03] [ 2.85780274e-03 -2.85780273e-03 -1.60068069e-03] [-2.85780274e-03 2.85780276e-03 -1.60068065e-03] [ 1.13447786e-02 1.13447786e-02 -3.71174908e-03] [-1.13447786e-02 -1.13447786e-02 -3.71174909e-03] [-2.85780273e-03 2.85780272e-03 1.60068068e-03] [ 2.85780275e-03 -2.85780275e-03 1.60068065e-03] [ 1.13447786e-02 1.13447786e-02 3.71174908e-03] [-1.13447786e-02 -1.13447786e-02 3.71174909e-03] [ 2.85780276e-03 -2.85780277e-03 -1.60068063e-03] [-2.85780274e-03 2.85780274e-03 -1.60068066e-03] [-6.33060271e-11 2.00806594e-11 -4.98563968e-11] [ 6.48168034e-11 8.81170719e-13 3.18821076e-11] [ 1.03017480e-03 -9.18605532e-03 6.20006788e-03] [-1.03017469e-03 9.18605532e-03 6.20006785e-03] [ 1.03017480e-03 -9.18605524e-03 -6.20006781e-03] [-1.03017473e-03 9.18605521e-03 -6.20006776e-03] [-9.18605512e-03 1.03017476e-03 6.20006766e-03] [-9.18605506e-03 1.03017475e-03 -6.20006761e-03] [ 9.18605518e-03 -1.03017475e-03 6.20006771e-03] [ 9.18605514e-03 -1.03017479e-03 -6.20006768e-03] [-2.30830308e-04 -2.30830277e-04 4.52271554e-12] [-6.11844544e-03 6.11844566e-03 1.71993635e-11] [ 6.11844548e-03 -6.11844559e-03 1.08507422e-11] [ 2.30830380e-04 2.30830160e-04 4.87781326e-11] [ 1.03017471e-03 -9.18605509e-03 6.20006763e-03] [-1.03017482e-03 9.18605512e-03 6.20006768e-03] [ 1.03017473e-03 -9.18605514e-03 -6.20006770e-03] [-1.03017481e-03 9.18605512e-03 -6.20006767e-03] [-9.18605525e-03 1.03017479e-03 6.20006781e-03] [-9.18605534e-03 1.03017476e-03 -6.20006790e-03] [ 9.18605522e-03 -1.03017474e-03 6.20006775e-03] [ 9.18605528e-03 -1.03017474e-03 -6.20006780e-03] [-2.30830256e-04 -2.30830315e-04 -3.17718965e-11] [-6.11844562e-03 6.11844543e-03 -6.94143741e-11] [ 6.11844559e-03 -6.11844547e-03 -4.00657153e-11] [ 2.30830159e-04 2.30830414e-04 -2.92223875e-11]] Final stress: [ 8.29018793e-05 8.29018793e-05 -2.98472428e-04 1.15912095e-14 1.41814425e-15 -9.26781475e-04] Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 9.33936321e-03 6.82813181e-14 -2.86853874e-14] [-9.33936321e-03 -1.11854970e-14 7.42461648e-14] [ 1.74474150e-14 9.33936321e-03 6.87644386e-15] [-3.25572902e-14 -9.33936321e-03 1.95676808e-14] [ 1.20008170e-14 -7.67519728e-14 3.12260569e-03] [-1.38111744e-13 -1.14269705e-13 -3.12260569e-03] [ 9.33936321e-03 -4.18957403e-14 -2.43719774e-14] [-9.33936321e-03 2.56743411e-14 -6.12798719e-14] [-1.97359490e-14 9.33936321e-03 3.65426575e-14] [ 1.89939210e-14 -9.33936321e-03 4.49050891e-14] [-6.71945138e-15 8.81061265e-14 3.12260569e-03] [ 3.27593855e-14 6.57601958e-14 -3.12260569e-03] [ 1.33335417e-04 1.33335417e-04 3.58114917e-03] [-1.33335418e-04 -1.33335418e-04 3.58114917e-03] [-1.33335417e-04 1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 -1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 1.33335417e-04 -3.58114917e-03] [-1.33335418e-04 -1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 -1.33335418e-04 3.58114917e-03] [-1.33335418e-04 1.33335418e-04 3.58114917e-03] [ 1.33335418e-04 1.33335417e-04 3.58114917e-03] [-1.33335417e-04 -1.33335417e-04 3.58114917e-03] [-1.33335418e-04 1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 -1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 1.33335417e-04 -3.58114917e-03] [-1.33335417e-04 -1.33335417e-04 -3.58114917e-03] [ 1.33335417e-04 -1.33335417e-04 3.58114917e-03] [-1.33335417e-04 1.33335417e-04 3.58114917e-03] [ 3.87190280e-14 -6.61415367e-14 2.83495449e-13] [ 5.44013619e-14 4.30067206e-14 -2.01496210e-13] [-1.48991930e-13 -1.10753735e-04 2.03203466e-03] [-2.52884519e-13 1.10753735e-04 2.03203466e-03] [ 1.18016708e-13 -1.10753736e-04 -2.03203466e-03] [ 1.37667655e-14 1.10753735e-04 -2.03203466e-03] [-1.10753735e-04 -1.96842542e-13 2.03203466e-03] [-1.10753736e-04 -1.26123070e-13 -2.03203466e-03] [ 1.10753735e-04 -2.54660876e-13 2.03203466e-03] [ 1.10753736e-04 -1.46450560e-13 -2.03203466e-03] [-1.14138710e-03 -1.14138710e-03 7.39408534e-14] [ 1.14138710e-03 -1.14138710e-03 -1.05124243e-13] [-1.14138710e-03 1.14138710e-03 3.54369312e-14] [ 1.14138710e-03 1.14138710e-03 -1.88578320e-13] [-1.96149520e-14 -1.10753735e-04 2.03203466e-03] [-5.06669359e-15 1.10753736e-04 2.03203466e-03] [-1.03992336e-14 -1.10753735e-04 -2.03203466e-03] [ 7.64015587e-15 1.10753735e-04 -2.03203466e-03] [-1.10753736e-04 -1.12873000e-14 2.03203466e-03] [-1.10753735e-04 -2.69573860e-14 -2.03203466e-03] [ 1.10753735e-04 -1.12813404e-14 2.03203466e-03] [ 1.10753736e-04 1.57803458e-14 -2.03203466e-03] [-1.14138710e-03 -1.14138710e-03 3.28660703e-13] [ 1.14138710e-03 -1.14138710e-03 3.79840816e-13] [-1.14138710e-03 1.14138710e-03 1.65923529e-13] [ 1.14138710e-03 1.14138710e-03 2.98724153e-13]] Final stress: [ 1.62025559e-04 1.62025559e-04 5.92978452e-04 2.87258604e-16 4.15113590e-17 -3.81904503e-17] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.75048071e-03 6.15969949e-14 -2.61860846e-14] [ 8.75048071e-03 4.38538095e-15 -3.36675132e-14] [ 1.12021937e-13 -8.75048071e-03 -7.41485866e-14] [-2.57571742e-14 8.75048071e-03 -2.76445533e-14] [ 8.59464409e-14 1.07264891e-13 -3.93897128e-05] [ 5.88695759e-14 7.50788320e-14 3.93897124e-05] [-8.75048071e-03 -1.12115178e-14 4.34260177e-14] [ 8.75048071e-03 -3.32026073e-15 -8.73045497e-15] [ 2.87504395e-14 -8.75048071e-03 -1.07394998e-13] [ 5.01473862e-14 8.75048071e-03 -1.08607542e-13] [-1.77793977e-13 5.58903773e-14 -3.93897127e-05] [-3.46363563e-14 1.66787238e-14 3.93897124e-05] [-6.31774713e-04 -6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 -6.31774713e-04 4.50884015e-03] [-6.31774713e-04 6.31774713e-04 4.50884015e-03] [-6.31774713e-04 -6.31774713e-04 4.50884015e-03] [ 6.31774713e-04 6.31774713e-04 4.50884015e-03] [-6.31774713e-04 6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 -6.31774713e-04 -4.50884015e-03] [-6.31774713e-04 -6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 -6.31774713e-04 4.50884015e-03] [-6.31774713e-04 6.31774713e-04 4.50884015e-03] [-6.31774713e-04 -6.31774713e-04 4.50884015e-03] [ 6.31774713e-04 6.31774713e-04 4.50884015e-03] [-6.31774713e-04 6.31774713e-04 -4.50884015e-03] [ 6.31774713e-04 -6.31774713e-04 -4.50884015e-03] [ 3.75671716e-13 -1.63785652e-13 3.42531559e-13] [-9.56504841e-14 -2.99338046e-13 1.96453413e-13] [ 8.85957974e-14 -2.49402259e-03 -1.63633246e-03] [-6.20024865e-14 2.49402259e-03 -1.63633246e-03] [-1.27642688e-13 -2.49402259e-03 1.63633246e-03] [ 1.49481122e-13 2.49402259e-03 1.63633246e-03] [-2.49402259e-03 -2.01061390e-13 -1.63633246e-03] [-2.49402259e-03 -1.29840583e-13 1.63633246e-03] [ 2.49402259e-03 -1.18852844e-13 -1.63633246e-03] [ 2.49402259e-03 -1.15060739e-13 1.63633246e-03] [ 1.43290294e-03 1.43290294e-03 8.59312621e-14] [-1.43290294e-03 1.43290294e-03 -6.11906359e-14] [ 1.43290294e-03 -1.43290294e-03 2.65655553e-14] [-1.43290294e-03 -1.43290294e-03 1.37643369e-13] [ 1.25369767e-13 -2.49402259e-03 -1.63633246e-03] [ 3.94503007e-13 2.49402259e-03 -1.63633246e-03] [ 2.45571792e-14 -2.49402259e-03 1.63633246e-03] [ 3.00696967e-13 2.49402259e-03 1.63633246e-03] [-2.49402259e-03 -3.25804733e-13 -1.63633246e-03] [-2.49402259e-03 -1.36346880e-13 1.63633246e-03] [ 2.49402259e-03 3.94172542e-15 -1.63633246e-03] [ 2.49402259e-03 -2.05419449e-13 1.63633246e-03] [ 1.43290294e-03 1.43290294e-03 1.22985708e-13] [-1.43290294e-03 1.43290294e-03 2.74543836e-13] [ 1.43290294e-03 -1.43290294e-03 2.23332224e-13] [-1.43290294e-03 -1.43290294e-03 3.10250957e-13]] Final stress: [-1.24640907e-04 -1.24640907e-04 -5.80492230e-04 6.15905955e-17 3.99506565e-17 1.59802626e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 9.33936321e-03 1.01761048e-13 3.69418038e-14] [-9.33936321e-03 8.39606162e-14 -2.85604873e-14] [-7.80400050e-14 3.12260569e-03 -3.21825899e-14] [-5.48172618e-14 -3.12260569e-03 -1.11410881e-13] [-8.34853020e-14 5.92963179e-14 9.33936321e-03] [-2.91711100e-14 9.55624468e-14 -9.33936321e-03] [ 9.33936321e-03 7.44578010e-14 1.34696941e-14] [-9.33936321e-03 1.02816627e-13 -2.08013425e-14] [ 1.55786842e-14 3.12260569e-03 9.30544526e-15] [-1.38986045e-14 -3.12260569e-03 -1.29842215e-14] [ 2.91485586e-14 -2.46157261e-15 9.33936321e-03] [-1.66186509e-15 3.58053885e-14 -9.33936321e-03] [ 1.33335417e-04 3.58114917e-03 1.33335417e-04] [-1.33335417e-04 -3.58114917e-03 1.33335417e-04] [-1.33335417e-04 3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 -3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 3.58114917e-03 -1.33335417e-04] [-1.33335417e-04 -3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 -3.58114917e-03 1.33335417e-04] [-1.33335417e-04 3.58114917e-03 1.33335417e-04] [ 1.33335417e-04 3.58114917e-03 1.33335417e-04] [-1.33335417e-04 -3.58114917e-03 1.33335417e-04] [-1.33335417e-04 3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 -3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 3.58114917e-03 -1.33335417e-04] [-1.33335417e-04 -3.58114917e-03 -1.33335417e-04] [ 1.33335417e-04 -3.58114917e-03 1.33335417e-04] [-1.33335417e-04 3.58114917e-03 1.33335417e-04] [-7.08044734e-14 1.36446410e-13 -4.31876757e-14] [ 3.08906546e-14 1.32663699e-14 4.92969241e-13] [ 2.84217094e-14 2.03203466e-03 -1.10753737e-04] [-6.24951479e-14 -2.03203466e-03 -1.10753737e-04] [ 7.95856436e-14 2.03203466e-03 1.10753737e-04] [-1.72948461e-13 -2.03203466e-03 1.10753737e-04] [-1.14138710e-03 -2.15827356e-13 -1.14138710e-03] [-1.14138710e-03 3.36571049e-14 1.14138710e-03] [ 1.14138710e-03 2.49635382e-13 -1.14138710e-03] [ 1.14138710e-03 3.79540149e-14 1.14138710e-03] [-1.10753737e-04 2.03203466e-03 7.27196081e-14] [ 1.10753737e-04 2.03203466e-03 -5.71643427e-14] [-1.10753737e-04 -2.03203466e-03 -9.28649518e-14] [ 1.10753738e-04 -2.03203466e-03 -1.17263838e-13] [-2.60577150e-14 2.03203466e-03 -1.10753738e-04] [-5.41303113e-14 -2.03203466e-03 -1.10753738e-04] [-2.95580834e-13 2.03203466e-03 1.10753738e-04] [-3.46727855e-15 -2.03203466e-03 1.10753738e-04] [-1.14138710e-03 -3.04567502e-14 -1.14138710e-03] [-1.14138710e-03 -3.37657419e-14 1.14138710e-03] [ 1.14138710e-03 -2.45923507e-13 -1.14138710e-03] [ 1.14138710e-03 -8.27541161e-14 1.14138710e-03] [-1.10753737e-04 2.03203466e-03 2.85709547e-13] [ 1.10753737e-04 2.03203466e-03 4.96420972e-14] [-1.10753737e-04 -2.03203466e-03 9.70284339e-14] [ 1.10753737e-04 -2.03203466e-03 9.42596695e-14]] Final stress: [ 1.62025559e-04 5.92978452e-04 1.62025559e-04 6.14368113e-17 1.27854986e-16 -2.82277241e-17] Minimization converged after 39 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.74029636e-03 7.57388943e-14 -2.83111208e-14] [ 8.74029635e-03 -1.13797860e-14 -6.24500451e-15] [-8.66828311e-14 -3.77653833e-05 5.86258472e-14] [ 4.39093206e-14 3.77653836e-05 1.12798659e-13] [-5.09492622e-14 1.08564633e-13 -8.74029636e-03] [-1.21291865e-14 5.19306820e-14 8.74029635e-03] [-8.74029635e-03 -9.84160670e-14 -4.79232074e-14] [ 8.74029636e-03 5.61543000e-14 -3.03102746e-14] [ 2.86042891e-14 -3.77653831e-05 2.87406358e-14] [-1.46964472e-13 3.77653836e-05 -1.41708372e-13] [-9.06523120e-14 -5.71201937e-14 -8.74029635e-03] [ 6.64880477e-14 -4.82998587e-14 8.74029635e-03] [-6.30393940e-04 -4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 -4.50334794e-03 6.30393940e-04] [-6.30393940e-04 4.50334794e-03 6.30393940e-04] [-6.30393940e-04 -4.50334794e-03 6.30393940e-04] [ 6.30393940e-04 4.50334794e-03 6.30393940e-04] [-6.30393940e-04 4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 -4.50334794e-03 -6.30393940e-04] [-6.30393940e-04 -4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 -4.50334794e-03 6.30393940e-04] [-6.30393940e-04 4.50334794e-03 6.30393940e-04] [-6.30393940e-04 -4.50334794e-03 6.30393940e-04] [ 6.30393940e-04 4.50334794e-03 6.30393940e-04] [-6.30393940e-04 4.50334794e-03 -6.30393940e-04] [ 6.30393940e-04 -4.50334794e-03 -6.30393940e-04] [ 3.00093284e-13 1.65145675e-14 2.27096120e-13] [-6.41847686e-14 -4.18133284e-13 1.49371369e-13] [-9.21485110e-15 -1.63545939e-03 -2.48051153e-03] [-3.60248290e-13 1.63545939e-03 -2.48051153e-03] [ 3.71820630e-14 -1.63545939e-03 2.48051153e-03] [-7.42843287e-14 1.63545939e-03 2.48051153e-03] [ 1.43479530e-03 -1.89848137e-13 1.43479530e-03] [ 1.43479530e-03 9.02212333e-14 -1.43479530e-03] [-1.43479530e-03 7.27543026e-14 1.43479530e-03] [-1.43479530e-03 3.70762449e-14 -1.43479530e-03] [-2.48051153e-03 -1.63545939e-03 2.70450329e-13] [ 2.48051153e-03 -1.63545939e-03 -5.12662829e-14] [-2.48051153e-03 1.63545939e-03 1.26520322e-13] [ 2.48051153e-03 1.63545939e-03 -4.03010958e-14] [-2.68786729e-14 -1.63545939e-03 -2.48051153e-03] [ 2.34258359e-13 1.63545939e-03 -2.48051153e-03] [ 4.64415832e-14 -1.63545939e-03 2.48051153e-03] [ 3.11699451e-13 1.63545939e-03 2.48051153e-03] [ 1.43479530e-03 1.34520039e-13 1.43479530e-03] [ 1.43479530e-03 1.24643785e-13 -1.43479530e-03] [-1.43479530e-03 -1.44687214e-13 1.43479530e-03] [-1.43479530e-03 -4.16565220e-13 -1.43479530e-03] [-2.48051153e-03 -1.63545939e-03 2.47966568e-13] [ 2.48051153e-03 -1.63545939e-03 4.22031184e-14] [-2.48051153e-03 1.63545939e-03 3.01485514e-13] [ 2.48051153e-03 1.63545939e-03 2.73177748e-13]] Final stress: [-1.24932369e-04 -5.80433549e-04 -1.24932369e-04 4.16152672e-17 -2.71331542e-16 -6.82490382e-17] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 27 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.95818200e-03 -3.04166414e-14 -7.25304323e-04] [-4.95818200e-03 1.93178806e-14 7.25304323e-04] [-3.87060176e-15 5.65747293e-04 -2.30839653e-14] [ 1.92901251e-14 -5.65747293e-04 -2.06501483e-14] [-6.00841072e-04 6.27969898e-15 6.74879674e-04] [ 6.00841072e-04 1.06303855e-14 -6.74879675e-04] [ 4.95818200e-03 -1.44190215e-14 -7.25304323e-04] [-4.95818200e-03 1.79032136e-14 7.25304323e-04] [ 1.57074874e-14 5.65747293e-04 -1.71165635e-14] [ 3.57639265e-14 -5.65747293e-04 -3.19846764e-14] [-6.00841072e-04 8.78530833e-16 6.74879674e-04] [ 6.00841072e-04 9.87779655e-15 -6.74879674e-04] [-8.19351627e-04 4.50996802e-03 1.55223786e-03] [ 9.52341299e-04 1.65078153e-03 1.40049124e-03] [ 8.19351628e-04 4.50996802e-03 -1.55223786e-03] [-9.52341299e-04 1.65078153e-03 -1.40049124e-03] [-9.52341299e-04 -1.65078153e-03 -1.40049124e-03] [ 8.19351628e-04 -4.50996802e-03 -1.55223786e-03] [-8.19351627e-04 -4.50996802e-03 1.55223786e-03] [ 9.52341299e-04 -1.65078153e-03 1.40049124e-03] [-8.19351628e-04 4.50996802e-03 1.55223786e-03] [ 9.52341299e-04 1.65078153e-03 1.40049124e-03] [ 8.19351627e-04 4.50996802e-03 -1.55223786e-03] [-9.52341299e-04 1.65078153e-03 -1.40049124e-03] [-9.52341299e-04 -1.65078153e-03 -1.40049124e-03] [ 8.19351627e-04 -4.50996802e-03 -1.55223786e-03] [-8.19351628e-04 -4.50996802e-03 1.55223786e-03] [ 9.52341299e-04 -1.65078153e-03 1.40049124e-03] [ 1.08080211e-13 6.49202914e-14 2.52631249e-13] [-6.06728209e-14 -8.32169914e-14 -6.10568902e-14] [ 2.69571272e-03 2.46894570e-03 2.47330055e-03] [ 2.69571272e-03 -2.46894570e-03 2.47330055e-03] [-2.69571272e-03 2.46894570e-03 -2.47330055e-03] [-2.69571272e-03 -2.46894570e-03 -2.47330055e-03] [ 3.46128782e-03 -2.17603713e-14 4.43537697e-03] [-3.73813874e-03 -3.70588976e-14 2.91480834e-03] [ 3.73813874e-03 -5.91887650e-14 -2.91480834e-03] [-3.46128782e-03 -1.45898918e-13 -4.43537697e-03] [-1.46118940e-04 7.47847222e-04 2.77546871e-03] [ 1.46118940e-04 7.47847222e-04 -2.77546871e-03] [-1.46118940e-04 -7.47847222e-04 2.77546871e-03] [ 1.46118940e-04 -7.47847222e-04 -2.77546871e-03] [ 2.69571272e-03 2.46894570e-03 2.47330055e-03] [ 2.69571272e-03 -2.46894570e-03 2.47330055e-03] [-2.69571272e-03 2.46894570e-03 -2.47330055e-03] [-2.69571272e-03 -2.46894570e-03 -2.47330055e-03] [ 3.46128782e-03 -3.67137305e-14 4.43537697e-03] [-3.73813874e-03 3.60531917e-14 2.91480833e-03] [ 3.73813874e-03 6.87644386e-15 -2.91480834e-03] [-3.46128782e-03 -9.75218170e-15 -4.43537697e-03] [-1.46118940e-04 7.47847221e-04 2.77546872e-03] [ 1.46118940e-04 7.47847221e-04 -2.77546871e-03] [-1.46118940e-04 -7.47847221e-04 2.77546871e-03] [ 1.46118940e-04 -7.47847221e-04 -2.77546871e-03]] Final stress: [-8.77422356e-05 2.43830357e-04 2.44581248e-04 5.31677693e-17 2.81911994e-04 -1.22950467e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.95818200e-03 2.25939059e-14 7.25304323e-04] [-4.95818200e-03 2.82274204e-14 -7.25304323e-04] [-9.21658583e-15 5.65747293e-04 2.56552592e-14] [-2.72004641e-15 -5.65747293e-04 1.12410081e-14] [ 6.00841072e-04 3.24722887e-14 6.74879675e-04] [-6.00841072e-04 3.44169138e-14 -6.74879675e-04] [ 4.95818200e-03 2.67450992e-15 7.25304323e-04] [-4.95818200e-03 -4.73145828e-16 -7.25304323e-04] [ 3.21314156e-14 5.65747293e-04 -3.98492509e-14] [ 1.75619068e-14 -5.65747293e-04 -3.27210638e-14] [ 6.00841072e-04 6.34292619e-15 6.74879675e-04] [-6.00841072e-04 1.91253833e-14 -6.74879675e-04] [-9.52341299e-04 -1.65078154e-03 1.40049125e-03] [ 8.19351628e-04 -4.50996803e-03 1.55223787e-03] [ 9.52341299e-04 -1.65078154e-03 -1.40049125e-03] [-8.19351628e-04 -4.50996803e-03 -1.55223787e-03] [-8.19351628e-04 4.50996803e-03 -1.55223787e-03] [ 9.52341299e-04 1.65078154e-03 -1.40049125e-03] [-9.52341299e-04 1.65078154e-03 1.40049125e-03] [ 8.19351628e-04 4.50996803e-03 1.55223787e-03] [-9.52341299e-04 -1.65078154e-03 1.40049125e-03] [ 8.19351628e-04 -4.50996803e-03 1.55223787e-03] [ 9.52341299e-04 -1.65078154e-03 -1.40049125e-03] [-8.19351628e-04 -4.50996803e-03 -1.55223787e-03] [-8.19351628e-04 4.50996803e-03 -1.55223787e-03] [ 9.52341299e-04 1.65078154e-03 -1.40049125e-03] [-9.52341299e-04 1.65078154e-03 1.40049125e-03] [ 8.19351628e-04 4.50996803e-03 1.55223787e-03] [ 9.71445147e-14 3.35564909e-14 4.29933866e-14] [ 1.41449352e-14 -3.23434855e-14 -4.38027164e-14] [-2.69571272e-03 2.46894570e-03 2.47330056e-03] [-2.69571272e-03 -2.46894570e-03 2.47330056e-03] [ 2.69571272e-03 2.46894570e-03 -2.47330056e-03] [ 2.69571272e-03 -2.46894570e-03 -2.47330056e-03] [-3.73813875e-03 -4.16333634e-14 -2.91480834e-03] [ 3.46128782e-03 -2.14550600e-14 -4.43537697e-03] [-3.46128782e-03 -1.07990006e-13 4.43537697e-03] [ 3.73813875e-03 -1.37112544e-14 2.91480834e-03] [-1.46118940e-04 7.47847223e-04 -2.77546872e-03] [ 1.46118940e-04 7.47847223e-04 2.77546872e-03] [-1.46118940e-04 -7.47847223e-04 -2.77546872e-03] [ 1.46118940e-04 -7.47847223e-04 2.77546872e-03] [-2.69571272e-03 2.46894570e-03 2.47330056e-03] [-2.69571272e-03 -2.46894570e-03 2.47330056e-03] [ 2.69571272e-03 2.46894570e-03 -2.47330056e-03] [ 2.69571272e-03 -2.46894570e-03 -2.47330056e-03] [-3.73813875e-03 -3.78542226e-14 -2.91480834e-03] [ 3.46128782e-03 -1.68220472e-14 -4.43537697e-03] [-3.46128782e-03 -8.01793527e-14 4.43537697e-03] [ 3.73813875e-03 -1.77314760e-14 2.91480834e-03] [-1.46118940e-04 7.47847224e-04 -2.77546872e-03] [ 1.46118940e-04 7.47847224e-04 2.77546872e-03] [-1.46118940e-04 -7.47847224e-04 -2.77546872e-03] [ 1.46118941e-04 -7.47847224e-04 2.77546872e-03]] Final stress: [-8.77422357e-05 2.43830357e-04 2.44581248e-04 1.66149279e-17 -2.81911994e-04 3.48913486e-17] Minimization converged after 64 steps. Minimization converged after 62 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.95818202e-03 -7.25304324e-04 1.19054072e-14] [-4.95818202e-03 7.25304324e-04 -2.49800181e-16] [-6.00841072e-04 6.74879676e-04 6.71771666e-15] [ 6.00841072e-04 -6.74879676e-04 1.24900090e-15] [ 1.17228276e-14 1.31570102e-14 5.65747294e-04] [ 3.21964677e-15 1.62925229e-14 -5.65747294e-04] [ 4.95818202e-03 -7.25304323e-04 1.03960687e-15] [-4.95818202e-03 7.25304323e-04 -4.67375286e-15] [-6.00841072e-04 6.74879676e-04 -2.75052067e-14] [ 6.00841072e-04 -6.74879676e-04 9.38123600e-15] [-2.86329120e-14 -2.13312415e-15 5.65747294e-04] [-2.80253251e-14 5.54782419e-15 -5.65747294e-04] [-8.19351630e-04 1.55223787e-03 4.50996805e-03] [ 8.19351630e-04 -1.55223787e-03 4.50996805e-03] [ 9.52341299e-04 1.40049125e-03 1.65078154e-03] [-9.52341299e-04 -1.40049125e-03 1.65078154e-03] [-8.19351630e-04 1.55223787e-03 -4.50996805e-03] [ 8.19351630e-04 -1.55223787e-03 -4.50996805e-03] [-9.52341299e-04 -1.40049125e-03 -1.65078154e-03] [ 9.52341299e-04 1.40049125e-03 -1.65078154e-03] [-8.19351630e-04 1.55223787e-03 4.50996805e-03] [ 8.19351630e-04 -1.55223787e-03 4.50996805e-03] [ 9.52341299e-04 1.40049125e-03 1.65078154e-03] [-9.52341299e-04 -1.40049125e-03 1.65078154e-03] [-8.19351630e-04 1.55223787e-03 -4.50996805e-03] [ 8.19351630e-04 -1.55223787e-03 -4.50996805e-03] [-9.52341299e-04 -1.40049125e-03 -1.65078154e-03] [ 9.52341299e-04 1.40049125e-03 -1.65078154e-03] [ 4.97935027e-14 -1.79856130e-14 1.83242310e-13] [-6.50013897e-14 -8.21645494e-14 -1.39755827e-15] [ 2.69571274e-03 2.47330057e-03 2.46894571e-03] [-2.69571274e-03 -2.47330057e-03 2.46894571e-03] [ 2.69571274e-03 2.47330057e-03 -2.46894571e-03] [-2.69571274e-03 -2.47330057e-03 -2.46894571e-03] [-1.46118940e-04 2.77546873e-03 7.47847229e-04] [-1.46118940e-04 2.77546873e-03 -7.47847229e-04] [ 1.46118940e-04 -2.77546873e-03 7.47847229e-04] [ 1.46118940e-04 -2.77546873e-03 -7.47847230e-04] [ 3.46128784e-03 4.43537699e-03 -4.91828800e-14] [ 3.73813876e-03 -2.91480834e-03 -7.61456870e-14] [-3.73813876e-03 2.91480835e-03 -9.55832635e-15] [-3.46128784e-03 -4.43537699e-03 -3.98500677e-14] [ 2.69571274e-03 2.47330057e-03 2.46894571e-03] [-2.69571274e-03 -2.47330057e-03 2.46894571e-03] [ 2.69571274e-03 2.47330057e-03 -2.46894571e-03] [-2.69571274e-03 -2.47330057e-03 -2.46894571e-03] [-1.46118939e-04 2.77546873e-03 7.47847229e-04] [-1.46118939e-04 2.77546873e-03 -7.47847229e-04] [ 1.46118939e-04 -2.77546873e-03 7.47847229e-04] [ 1.46118939e-04 -2.77546873e-03 -7.47847229e-04] [ 3.46128784e-03 4.43537699e-03 8.36281533e-14] [ 3.73813876e-03 -2.91480834e-03 1.88563242e-13] [-3.73813876e-03 2.91480834e-03 1.78568515e-13] [-3.46128784e-03 -4.43537699e-03 9.73483447e-15]] Final stress: [-8.77422363e-05 2.44581248e-04 2.43830357e-04 -3.98758270e-17 2.32608991e-17 2.81911994e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.95818202e-03 7.25304323e-04 4.99522299e-14] [-4.95818202e-03 -7.25304323e-04 1.96787031e-14] [ 6.00841072e-04 6.74879676e-04 8.55392146e-15] [-6.00841072e-04 -6.74879676e-04 3.36120021e-14] [-4.91260678e-14 3.54074409e-14 5.65747294e-04] [ 1.32671651e-14 2.63955524e-14 -5.65747294e-04] [ 4.95818202e-03 7.25304323e-04 -1.63440859e-14] [-4.95818202e-03 -7.25304323e-04 7.87023673e-15] [ 6.00841072e-04 6.74879676e-04 4.90762291e-15] [-6.00841072e-04 -6.74879676e-04 -3.69863811e-14] [-3.75142625e-14 -2.58620527e-14 5.65747294e-04] [-1.90624426e-14 -3.88474085e-15 -5.65747294e-04] [-9.52341299e-04 1.40049125e-03 -1.65078154e-03] [ 9.52341299e-04 -1.40049125e-03 -1.65078154e-03] [ 8.19351630e-04 1.55223787e-03 -4.50996805e-03] [-8.19351630e-04 -1.55223787e-03 -4.50996805e-03] [-9.52341299e-04 1.40049125e-03 1.65078154e-03] [ 9.52341299e-04 -1.40049125e-03 1.65078154e-03] [-8.19351630e-04 -1.55223787e-03 4.50996805e-03] [ 8.19351630e-04 1.55223787e-03 4.50996805e-03] [-9.52341299e-04 1.40049125e-03 -1.65078154e-03] [ 9.52341299e-04 -1.40049125e-03 -1.65078154e-03] [ 8.19351630e-04 1.55223787e-03 -4.50996805e-03] [-8.19351630e-04 -1.55223787e-03 -4.50996805e-03] [-9.52341299e-04 1.40049125e-03 1.65078154e-03] [ 9.52341299e-04 -1.40049125e-03 1.65078154e-03] [-8.19351630e-04 -1.55223787e-03 4.50996805e-03] [ 8.19351630e-04 1.55223787e-03 4.50996805e-03] [ 1.05859765e-13 -1.28785871e-14 1.26509914e-13] [-1.10454181e-14 -2.25790382e-14 -3.98385761e-14] [-2.69571274e-03 2.47330057e-03 2.46894571e-03] [ 2.69571274e-03 -2.47330057e-03 2.46894571e-03] [-2.69571274e-03 2.47330057e-03 -2.46894571e-03] [ 2.69571274e-03 -2.47330057e-03 -2.46894571e-03] [-1.46118939e-04 -2.77546873e-03 7.47847229e-04] [-1.46118939e-04 -2.77546873e-03 -7.47847229e-04] [ 1.46118939e-04 2.77546873e-03 7.47847229e-04] [ 1.46118939e-04 2.77546873e-03 -7.47847229e-04] [-3.73813876e-03 -2.91480835e-03 4.64073224e-14] [-3.46128784e-03 4.43537699e-03 7.01071146e-14] [ 3.46128784e-03 -4.43537699e-03 -3.09717529e-14] [ 3.73813876e-03 2.91480835e-03 -1.10935566e-13] [-2.69571274e-03 2.47330057e-03 2.46894571e-03] [ 2.69571274e-03 -2.47330057e-03 2.46894571e-03] [-2.69571274e-03 2.47330057e-03 -2.46894571e-03] [ 2.69571274e-03 -2.47330057e-03 -2.46894571e-03] [-1.46118939e-04 -2.77546873e-03 7.47847229e-04] [-1.46118939e-04 -2.77546873e-03 -7.47847229e-04] [ 1.46118939e-04 2.77546873e-03 7.47847229e-04] [ 1.46118939e-04 2.77546873e-03 -7.47847229e-04] [-3.73813876e-03 -2.91480835e-03 2.40861020e-13] [-3.46128784e-03 4.43537699e-03 -8.29139546e-15] [ 3.46128784e-03 -4.43537699e-03 1.60370212e-13] [ 3.73813876e-03 2.91480835e-03 4.54415151e-14]] Final stress: [-8.77422363e-05 2.44581248e-04 2.43830357e-04 4.98447837e-18 -5.48292621e-17 -2.81911994e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.07564477e-02 -5.58482240e-02 2.07549472e-13] [ 2.07564477e-02 5.58482240e-02 3.51246809e-13] [-5.20132514e-02 6.08391571e-02 5.13181077e-13] [ 5.20132514e-02 -6.08391571e-02 6.46982468e-14] [ 3.33407347e-13 -1.40979242e-13 5.37098829e-02] [ 5.15754106e-13 -3.05616643e-13 -5.37098829e-02] [-2.07564477e-02 -5.58482240e-02 -1.39421947e-13] [ 2.07564477e-02 5.58482240e-02 -9.42503496e-14] [-5.20132514e-02 6.08391571e-02 -4.49551407e-13] [ 5.20132514e-02 -6.08391571e-02 -4.31398433e-13] [ 1.02543841e-14 3.75231689e-13 5.37098829e-02] [-1.09393397e-13 3.59070024e-13 -5.37098829e-02] [-4.92696362e-03 -1.86955524e-02 -1.75915875e-02] [ 4.92696362e-03 1.86955524e-02 -1.75915875e-02] [-5.94426081e-03 -3.57743769e-02 4.47083957e-02] [ 5.94426081e-03 3.57743769e-02 4.47083957e-02] [-4.92696362e-03 -1.86955524e-02 1.75915875e-02] [ 4.92696362e-03 1.86955524e-02 1.75915875e-02] [ 5.94426081e-03 3.57743769e-02 -4.47083957e-02] [-5.94426081e-03 -3.57743769e-02 -4.47083957e-02] [-4.92696362e-03 -1.86955524e-02 -1.75915875e-02] [ 4.92696362e-03 1.86955524e-02 -1.75915875e-02] [-5.94426081e-03 -3.57743769e-02 4.47083957e-02] [ 5.94426081e-03 3.57743769e-02 4.47083957e-02] [-4.92696362e-03 -1.86955524e-02 1.75915875e-02] [ 4.92696362e-03 1.86955524e-02 1.75915875e-02] [ 5.94426081e-03 3.57743770e-02 -4.47083957e-02] [-5.94426081e-03 -3.57743769e-02 -4.47083957e-02] [ 4.77365369e-12 -2.16049401e-12 5.05981368e-12] [-2.48072613e-12 -7.53429278e-13 -4.04760112e-13] [ 8.61191411e-02 -9.02166303e-03 -1.29480177e-02] [-8.61191411e-02 9.02166303e-03 -1.29480176e-02] [ 8.61191411e-02 -9.02166303e-03 1.29480177e-02] [-8.61191411e-02 9.02166303e-03 1.29480176e-02] [-1.11451235e-02 1.00465229e-01 1.01524433e-02] [-1.11451235e-02 1.00465229e-01 -1.01524433e-02] [ 1.11451235e-02 -1.00465229e-01 1.01524433e-02] [ 1.11451235e-02 -1.00465229e-01 -1.01524433e-02] [ 4.75961077e-02 7.09873133e-02 6.22168983e-13] [ 8.25834971e-02 -5.04308752e-02 9.55855187e-13] [-8.25834971e-02 5.04308752e-02 1.99128561e-12] [-4.75961077e-02 -7.09873133e-02 9.94435011e-13] [ 8.61191411e-02 -9.02166303e-03 -1.29480177e-02] [-8.61191411e-02 9.02166302e-03 -1.29480177e-02] [ 8.61191411e-02 -9.02166303e-03 1.29480177e-02] [-8.61191411e-02 9.02166302e-03 1.29480177e-02] [-1.11451235e-02 1.00465229e-01 1.01524433e-02] [-1.11451235e-02 1.00465229e-01 -1.01524433e-02] [ 1.11451235e-02 -1.00465229e-01 1.01524433e-02] [ 1.11451235e-02 -1.00465229e-01 -1.01524433e-02] [ 4.75961077e-02 7.09873133e-02 2.39872661e-12] [ 8.25834971e-02 -5.04308753e-02 1.88257298e-12] [-8.25834971e-02 5.04308753e-02 7.02384921e-13] [-4.75961077e-02 -7.09873133e-02 3.48121271e-13]] Final stress: [ 8.67187367e-04 -7.66911685e-04 -6.93615235e-04 4.84099148e-16 -5.53969129e-16 -6.40573560e-05] Minimization converged after 62 steps. Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.12260569e-03 7.63746705e-14 9.63474092e-14] [-3.12260569e-03 1.78468351e-14 6.39210906e-14] [ 1.23862726e-13 9.33936322e-03 1.00407096e-13] [ 1.30506717e-13 -9.33936322e-03 1.04916076e-14] [ 4.91677012e-14 2.74975355e-14 9.33936322e-03] [-2.96707103e-14 8.29336599e-14 -9.33936322e-03] [ 3.12260569e-03 1.57469524e-14 -4.29244765e-14] [-3.12260569e-03 4.30506325e-14 -3.08857707e-14] [ 6.93494741e-14 9.33936322e-03 9.24256161e-15] [-1.20958365e-13 -9.33936322e-03 -6.21486422e-14] [-1.03078136e-13 -1.39490467e-14 9.33936322e-03] [-5.04080284e-14 -4.15443355e-14 -9.33936322e-03] [ 3.58114918e-03 1.33335418e-04 1.33335418e-04] [-3.58114918e-03 -1.33335418e-04 1.33335418e-04] [-3.58114918e-03 1.33335418e-04 -1.33335418e-04] [ 3.58114918e-03 -1.33335418e-04 -1.33335418e-04] [ 3.58114918e-03 1.33335418e-04 -1.33335418e-04] [-3.58114917e-03 -1.33335418e-04 -1.33335418e-04] [ 3.58114917e-03 -1.33335418e-04 1.33335418e-04] [-3.58114918e-03 1.33335418e-04 1.33335418e-04] [ 3.58114918e-03 1.33335418e-04 1.33335418e-04] [-3.58114918e-03 -1.33335418e-04 1.33335418e-04] [-3.58114918e-03 1.33335418e-04 -1.33335418e-04] [ 3.58114917e-03 -1.33335418e-04 -1.33335418e-04] [ 3.58114917e-03 1.33335418e-04 -1.33335418e-04] [-3.58114918e-03 -1.33335418e-04 -1.33335418e-04] [ 3.58114917e-03 -1.33335418e-04 1.33335418e-04] [-3.58114918e-03 1.33335418e-04 1.33335418e-04] [ 4.58688643e-13 5.96744876e-15 1.62314606e-13] [-3.90321456e-14 -2.30283846e-14 -8.69187611e-14] [-1.01030295e-14 -1.14138710e-03 -1.14138710e-03] [ 1.46445356e-14 1.14138710e-03 -1.14138710e-03] [ 4.97067665e-14 -1.14138710e-03 1.14138710e-03] [-5.03711656e-14 1.14138710e-03 1.14138710e-03] [ 2.03203466e-03 -6.38378239e-14 -1.10753730e-04] [ 2.03203466e-03 -2.13544460e-15 1.10753731e-04] [-2.03203466e-03 -5.92095817e-14 -1.10753731e-04] [-2.03203466e-03 -4.30367547e-14 1.10753731e-04] [ 2.03203466e-03 -1.10753731e-04 1.82853732e-13] [-2.03203466e-03 -1.10753731e-04 2.61353439e-14] [ 2.03203466e-03 1.10753731e-04 1.97427144e-13] [-2.03203466e-03 1.10753731e-04 1.60791519e-14] [-7.67788610e-15 -1.14138710e-03 -1.14138710e-03] [ 4.32045892e-14 1.14138710e-03 -1.14138710e-03] [ 4.42011878e-14 -1.14138710e-03 1.14138710e-03] [ 1.04892223e-13 1.14138710e-03 1.14138710e-03] [ 2.03203466e-03 7.84283806e-14 -1.10753731e-04] [ 2.03203466e-03 9.58198364e-14 1.10753731e-04] [-2.03203466e-03 -2.33998584e-13 -1.10753731e-04] [-2.03203466e-03 4.63214536e-15 1.10753730e-04] [ 2.03203466e-03 -1.10753731e-04 1.92111982e-13] [-2.03203466e-03 -1.10753731e-04 -1.22058986e-13] [ 2.03203466e-03 1.10753731e-04 -7.56771219e-14] [-2.03203466e-03 1.10753731e-04 -1.38911885e-13]] Final stress: [5.92978452e-04 1.62025558e-04 1.62025558e-04 3.35411780e-16 1.31175894e-16 2.54049517e-16] Minimization converged after 38 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.90821672e-05 -3.06664416e-14 1.52766688e-13] [ 1.90821666e-05 -6.05349104e-14 6.98607838e-14] [ 5.30105473e-14 -8.73027874e-03 9.12590316e-14] [ 1.34559031e-13 8.73027874e-03 7.93531907e-14] [-2.85119151e-14 5.99008690e-14 -8.73027874e-03] [ 5.74540415e-15 1.04360964e-14 8.73027874e-03] [-1.90821673e-05 -1.99094213e-14 4.26133094e-14] [ 1.90821671e-05 1.26306951e-13 1.58962191e-14] [ 4.73163175e-14 -8.73027874e-03 1.18500779e-13] [ 8.30672336e-15 8.73027874e-03 -4.83135618e-14] [-1.18928305e-13 -1.52842080e-14 -8.73027874e-03] [ 1.82085250e-14 4.11973575e-14 8.73027874e-03] [-4.50449065e-03 -6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 -6.31757987e-04 6.31757987e-04] [-4.50449065e-03 6.31757987e-04 6.31757987e-04] [-4.50449065e-03 -6.31757987e-04 6.31757987e-04] [ 4.50449065e-03 6.31757987e-04 6.31757987e-04] [-4.50449065e-03 6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 -6.31757987e-04 -6.31757987e-04] [-4.50449065e-03 -6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 -6.31757987e-04 6.31757987e-04] [-4.50449065e-03 6.31757987e-04 6.31757987e-04] [-4.50449065e-03 -6.31757987e-04 6.31757987e-04] [ 4.50449065e-03 6.31757987e-04 6.31757987e-04] [-4.50449065e-03 6.31757987e-04 -6.31757987e-04] [ 4.50449065e-03 -6.31757987e-04 -6.31757987e-04] [ 5.24025268e-13 -3.29847261e-13 6.54226673e-13] [-2.54752816e-13 -3.26261124e-13 2.79152146e-13] [-2.41806575e-13 1.43011890e-03 1.43011890e-03] [-3.50882517e-13 -1.43011890e-03 1.43011890e-03] [-1.22863525e-13 1.43011890e-03 -1.43011890e-03] [-1.57891061e-13 -1.43011890e-03 -1.43011890e-03] [-1.59498555e-03 -1.87627691e-13 -2.52010760e-03] [-1.59498555e-03 -6.17735030e-14 2.52010760e-03] [ 1.59498555e-03 -5.74019998e-15 -2.52010760e-03] [ 1.59498555e-03 -1.27040739e-13 2.52010760e-03] [-1.59498555e-03 -2.52010760e-03 -6.13953333e-14] [ 1.59498555e-03 -2.52010760e-03 -1.29517924e-13] [-1.59498555e-03 2.52010760e-03 -4.88827728e-14] [ 1.59498555e-03 2.52010760e-03 5.75789416e-14] [ 1.18871493e-13 1.43011890e-03 1.43011890e-03] [ 3.31262361e-13 -1.43011890e-03 1.43011890e-03] [ 4.17762179e-13 1.43011890e-03 -1.43011890e-03] [ 4.63123897e-13 -1.43011890e-03 -1.43011890e-03] [-1.59498555e-03 -9.02626203e-14 -2.52010760e-03] [-1.59498555e-03 3.52816734e-14 2.52010760e-03] [ 1.59498555e-03 -1.22861357e-13 -2.52010760e-03] [ 1.59498555e-03 -3.16449558e-13 2.52010760e-03] [-1.59498555e-03 -2.52010760e-03 1.45519428e-13] [ 1.59498555e-03 -2.52010760e-03 5.95519727e-15] [-1.59498555e-03 2.52010760e-03 1.76350335e-13] [ 1.59498555e-03 2.52010760e-03 3.22387516e-13]] Final stress: [-5.80536508e-04 -1.24851861e-04 -1.24851861e-04 1.81442565e-16 2.82983817e-17 -1.61467237e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61983923e-04 -4.53773304e-14 1.12501154e-14] [-5.61983923e-04 2.20101715e-14 1.49602553e-14] [ 3.39277217e-14 4.95636023e-03 -7.29516769e-04] [ 2.06779038e-14 -4.95636023e-03 7.29516769e-04] [ 1.04027030e-14 -6.05059234e-04 6.71114929e-04] [ 5.68434189e-14 6.05059234e-04 -6.71114930e-04] [ 5.61983923e-04 6.15870202e-15 -5.14523006e-15] [-5.61983923e-04 -1.37650308e-15 -1.15400376e-14] [-2.59315139e-14 4.95636023e-03 -7.29516769e-04] [-1.33768864e-14 -4.95636023e-03 7.29516769e-04] [-1.26851654e-14 -6.05059234e-04 6.71114929e-04] [-1.97519952e-14 6.05059234e-04 -6.71114929e-04] [ 4.50639166e-03 -8.18464284e-04 1.55257134e-03] [ 1.64690246e-03 9.51893977e-04 1.40044896e-03] [ 1.64690246e-03 -9.51893977e-04 -1.40044896e-03] [ 4.50639166e-03 8.18464284e-04 -1.55257134e-03] [-1.64690246e-03 -9.51893977e-04 -1.40044896e-03] [-4.50639166e-03 8.18464284e-04 -1.55257134e-03] [-1.64690246e-03 9.51893977e-04 1.40044896e-03] [-4.50639166e-03 -8.18464284e-04 1.55257134e-03] [ 4.50639166e-03 -8.18464285e-04 1.55257134e-03] [ 1.64690246e-03 9.51893977e-04 1.40044896e-03] [ 1.64690246e-03 -9.51893977e-04 -1.40044896e-03] [ 4.50639166e-03 8.18464284e-04 -1.55257134e-03] [-1.64690246e-03 -9.51893977e-04 -1.40044896e-03] [-4.50639166e-03 8.18464284e-04 -1.55257134e-03] [-1.64690246e-03 9.51893977e-04 1.40044896e-03] [-4.50639166e-03 -8.18464284e-04 1.55257134e-03] [ 2.27318164e-13 -4.08284517e-14 2.84078316e-13] [-1.09333549e-13 -4.33174633e-14 -2.01722777e-14] [-3.26405569e-14 3.46478747e-03 4.43133804e-03] [-5.70030134e-15 3.73214381e-03 -2.91621399e-03] [ 4.22231694e-14 -3.73214381e-03 2.91621399e-03] [ 3.31262795e-14 -3.46478747e-03 -4.43133804e-03] [ 2.46914517e-03 2.69731632e-03 2.47348944e-03] [ 2.46914517e-03 -2.69731632e-03 -2.47348944e-03] [-2.46914517e-03 2.69731632e-03 2.47348944e-03] [-2.46914517e-03 -2.69731632e-03 -2.47348944e-03] [ 7.45141038e-04 -1.41365477e-04 2.77704439e-03] [-7.45141038e-04 -1.41365477e-04 2.77704439e-03] [ 7.45141039e-04 1.41365477e-04 -2.77704439e-03] [-7.45141039e-04 1.41365477e-04 -2.77704439e-03] [ 1.31570102e-14 3.46478747e-03 4.43133804e-03] [ 1.92771146e-15 3.73214381e-03 -2.91621399e-03] [ 1.86825815e-13 -3.73214381e-03 2.91621399e-03] [-1.58388927e-14 -3.46478747e-03 -4.43133804e-03] [ 2.46914517e-03 2.69731632e-03 2.47348944e-03] [ 2.46914517e-03 -2.69731632e-03 -2.47348944e-03] [-2.46914517e-03 2.69731632e-03 2.47348944e-03] [-2.46914517e-03 -2.69731632e-03 -2.47348944e-03] [ 7.45141038e-04 -1.41365477e-04 2.77704439e-03] [-7.45141038e-04 -1.41365476e-04 2.77704439e-03] [ 7.45141038e-04 1.41365476e-04 -2.77704439e-03] [-7.45141038e-04 1.41365476e-04 -2.77704439e-03]] Final stress: [ 2.43813489e-04 -8.77567218e-05 2.44563927e-04 2.81870586e-04 -5.81522477e-17 -1.82764207e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.62556557e-04 -2.93519549e-14 1.90919329e-14] [-5.62556558e-04 -1.63202785e-14 5.30964162e-14] [ 2.13878394e-14 4.95663746e-03 7.28875805e-04] [ 6.10622664e-16 -4.95663746e-03 -7.28875805e-04] [ 7.20604132e-15 6.04417399e-04 6.71687773e-04] [-5.80091530e-15 -6.04417399e-04 -6.71687773e-04] [ 5.62556557e-04 -1.67331426e-14 -2.67566265e-14] [-5.62556557e-04 7.17611734e-15 -9.21839530e-15] [-8.09682182e-15 4.95663746e-03 7.28875805e-04] [-1.28655767e-14 -4.95663746e-03 -7.28875805e-04] [-4.20904631e-14 6.04417399e-04 6.71687773e-04] [-5.40370700e-14 -6.04417399e-04 -6.71687773e-04] [-1.64749271e-03 -9.51962041e-04 1.40045541e-03] [-4.50693587e-03 8.18599306e-04 1.55252060e-03] [-4.50693587e-03 -8.18599306e-04 -1.55252060e-03] [-1.64749271e-03 9.51962041e-04 -1.40045540e-03] [ 4.50693587e-03 -8.18599306e-04 -1.55252060e-03] [ 1.64749271e-03 9.51962041e-04 -1.40045541e-03] [ 4.50693587e-03 8.18599306e-04 1.55252060e-03] [ 1.64749271e-03 -9.51962041e-04 1.40045540e-03] [-1.64749271e-03 -9.51962041e-04 1.40045541e-03] [-4.50693587e-03 8.18599306e-04 1.55252060e-03] [-4.50693587e-03 -8.18599306e-04 -1.55252060e-03] [-1.64749271e-03 9.51962041e-04 -1.40045541e-03] [ 4.50693587e-03 -8.18599306e-04 -1.55252060e-03] [ 1.64749271e-03 9.51962041e-04 -1.40045541e-03] [ 4.50693587e-03 8.18599306e-04 1.55252060e-03] [ 1.64749271e-03 -9.51962041e-04 1.40045541e-03] [ 1.44245726e-13 -5.54833957e-14 1.54126711e-13] [-9.31633243e-14 1.46905643e-14 2.59898063e-14] [-8.32667268e-15 -3.73305602e-03 -2.91600012e-03] [-1.23416902e-13 -3.46425499e-03 4.43195263e-03] [ 3.47118168e-14 3.46425499e-03 -4.43195263e-03] [-7.04644676e-14 3.73305602e-03 2.91600012e-03] [ 2.46911483e-03 -2.69707234e-03 2.47346071e-03] [ 2.46911483e-03 2.69707234e-03 -2.47346071e-03] [-2.46911484e-03 -2.69707234e-03 2.47346071e-03] [-2.46911483e-03 2.69707234e-03 -2.47346071e-03] [ 7.45552818e-04 -1.42088762e-04 -2.77680465e-03] [-7.45552819e-04 -1.42088762e-04 -2.77680465e-03] [ 7.45552818e-04 1.42088762e-04 2.77680465e-03] [-7.45552819e-04 1.42088762e-04 2.77680465e-03] [ 1.76854625e-13 -3.73305602e-03 -2.91600012e-03] [ 9.54106585e-14 -3.46425499e-03 4.43195263e-03] [ 4.94062256e-14 3.46425499e-03 -4.43195263e-03] [ 1.01580636e-13 3.73305602e-03 2.91600012e-03] [ 2.46911483e-03 -2.69707234e-03 2.47346071e-03] [ 2.46911483e-03 2.69707234e-03 -2.47346071e-03] [-2.46911483e-03 -2.69707234e-03 2.47346071e-03] [-2.46911483e-03 2.69707234e-03 -2.47346071e-03] [ 7.45552819e-04 -1.42088762e-04 -2.77680465e-03] [-7.45552819e-04 -1.42088762e-04 -2.77680465e-03] [ 7.45552819e-04 1.42088762e-04 2.77680465e-03] [-7.45552819e-04 1.42088762e-04 2.77680465e-03]] Final stress: [ 2.43816056e-04 -8.77545185e-05 2.44566563e-04 -2.81876887e-04 -2.49223919e-17 2.15994063e-17] Minimization converged after 62 steps. Minimization converged after 63 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 29 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.70055636e-04 -6.06246111e-04 1.72761111e-14] [-6.70055636e-04 6.06246111e-04 3.88578059e-15] [-7.30702035e-04 4.95584765e-03 6.78034018e-14] [ 7.30702035e-04 -4.95584765e-03 -9.15933995e-16] [-3.40183610e-14 4.87400918e-14 5.60925014e-04] [-1.41553436e-15 2.63955524e-14 -5.60925015e-04] [ 6.70055636e-04 -6.06246111e-04 -3.54281913e-14] [-6.70055636e-04 6.06246111e-04 -1.88119621e-14] [-7.30702035e-04 4.95584765e-03 -1.89210124e-15] [ 7.30702035e-04 -4.95584765e-03 5.83988612e-15] [-6.45182692e-14 1.00270272e-14 5.60925014e-04] [-2.35553764e-14 3.17682108e-14 -5.60925014e-04] [ 1.55266517e-03 -8.18214611e-04 4.50538538e-03] [-1.55266517e-03 8.18214611e-04 4.50538538e-03] [-1.40043707e-03 -9.51768111e-04 1.64581100e-03] [ 1.40043707e-03 9.51768111e-04 1.64581100e-03] [ 1.55266517e-03 -8.18214612e-04 -4.50538538e-03] [-1.55266517e-03 8.18214612e-04 -4.50538538e-03] [ 1.40043707e-03 9.51768111e-04 -1.64581100e-03] [-1.40043707e-03 -9.51768111e-04 -1.64581100e-03] [ 1.55266517e-03 -8.18214612e-04 4.50538538e-03] [-1.55266517e-03 8.18214612e-04 4.50538538e-03] [-1.40043707e-03 -9.51768111e-04 1.64581100e-03] [ 1.40043707e-03 9.51768111e-04 1.64581100e-03] [ 1.55266517e-03 -8.18214612e-04 -4.50538538e-03] [-1.55266517e-03 8.18214611e-04 -4.50538538e-03] [ 1.40043707e-03 9.51768111e-04 -1.64581100e-03] [-1.40043707e-03 -9.51768111e-04 -1.64581100e-03] [ 2.38142839e-14 4.22994972e-14 1.97564187e-13] [-3.62565880e-14 -9.92616240e-14 -3.66267236e-14] [ 2.77748775e-03 -1.40027977e-04 7.44379598e-04] [-2.77748775e-03 1.40027977e-04 7.44379598e-04] [ 2.77748775e-03 -1.40027977e-04 -7.44379598e-04] [-2.77748775e-03 1.40027977e-04 -7.44379598e-04] [ 2.47354259e-03 2.69776754e-03 2.46920131e-03] [ 2.47354259e-03 2.69776754e-03 -2.46920131e-03] [-2.47354259e-03 -2.69776754e-03 2.46920131e-03] [-2.47354259e-03 -2.69776754e-03 -2.46920131e-03] [ 4.43020161e-03 3.46577220e-03 -1.70974346e-14] [ 2.91660951e-03 -3.73045700e-03 -8.90450907e-14] [-2.91660951e-03 3.73045700e-03 -7.22373550e-14] [-4.43020161e-03 -3.46577220e-03 -5.82468102e-14] [ 2.77748775e-03 -1.40027977e-04 7.44379598e-04] [-2.77748775e-03 1.40027977e-04 7.44379598e-04] [ 2.77748775e-03 -1.40027977e-04 -7.44379598e-04] [-2.77748775e-03 1.40027977e-04 -7.44379598e-04] [ 2.47354259e-03 2.69776754e-03 2.46920131e-03] [ 2.47354259e-03 2.69776754e-03 -2.46920131e-03] [-2.47354259e-03 -2.69776754e-03 2.46920131e-03] [-2.47354259e-03 -2.69776754e-03 -2.46920131e-03] [ 4.43020161e-03 3.46577220e-03 2.71862737e-13] [ 2.91660951e-03 -3.73045700e-03 2.34499120e-13] [-2.91660951e-03 3.73045700e-03 1.78385417e-13] [-4.43020161e-03 -3.46577220e-03 2.07197540e-13]] Final stress: [ 2.44559054e-04 -8.77607984e-05 2.43808743e-04 1.39565394e-16 -9.96895675e-17 2.81858935e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.70954664e-04 6.05238805e-04 -1.02817060e-14] [-6.70954664e-04 -6.05238805e-04 -2.08166817e-15] [ 7.29696097e-04 4.95628272e-03 2.84551029e-14] [-7.29696097e-04 -4.95628272e-03 2.44249065e-15] [ 3.31262795e-14 -4.92115029e-14 5.61823715e-04] [ 4.44089210e-15 -1.94844141e-14 -5.61823715e-04] [ 6.70954664e-04 6.05238805e-04 -2.35565872e-14] [-6.70954664e-04 -6.05238805e-04 -2.16053639e-14] [ 7.29696097e-04 4.95628272e-03 -3.16362855e-15] [-7.29696097e-04 -4.95628272e-03 3.47870599e-15] [ 2.48646589e-14 -3.06326501e-16 5.61823715e-04] [ 2.72052346e-14 1.36720393e-15 -5.61823715e-04] [ 1.40044718e-03 -9.51874933e-04 -1.64673734e-03] [-1.40044718e-03 9.51874933e-04 -1.64673734e-03] [-1.55258554e-03 -8.18426514e-04 -4.50623945e-03] [ 1.55258554e-03 8.18426514e-04 -4.50623945e-03] [ 1.40044718e-03 -9.51874933e-04 1.64673734e-03] [-1.40044718e-03 9.51874933e-04 1.64673734e-03] [ 1.55258554e-03 8.18426514e-04 4.50623945e-03] [-1.55258554e-03 -8.18426514e-04 4.50623945e-03] [ 1.40044718e-03 -9.51874933e-04 -1.64673734e-03] [-1.40044718e-03 9.51874933e-04 -1.64673734e-03] [-1.55258554e-03 -8.18426514e-04 -4.50623945e-03] [ 1.55258554e-03 8.18426514e-04 -4.50623945e-03] [ 1.40044718e-03 -9.51874933e-04 1.64673734e-03] [-1.40044718e-03 9.51874933e-04 1.64673734e-03] [ 1.55258554e-03 8.18426514e-04 4.50623945e-03] [-1.55258554e-03 -8.18426514e-04 4.50623945e-03] [ 1.11327614e-13 -9.00945984e-14 4.26325641e-14] [-3.14592102e-15 -3.64746636e-14 -4.29619337e-14] [-2.77711150e-03 -1.41163115e-04 7.45025847e-04] [ 2.77711150e-03 1.41163115e-04 7.45025847e-04] [-2.77711150e-03 -1.41163115e-04 -7.45025847e-04] [ 2.77711150e-03 1.41163115e-04 -7.45025847e-04] [ 2.47349750e-03 -2.69738462e-03 2.46915369e-03] [ 2.47349750e-03 -2.69738462e-03 -2.46915369e-03] [-2.47349750e-03 2.69738462e-03 2.46915369e-03] [-2.47349750e-03 2.69738462e-03 -2.46915369e-03] [-2.91627385e-03 -3.73188863e-03 -9.43689571e-15] [-4.43116614e-03 3.46493649e-03 -1.23685784e-13] [ 4.43116614e-03 -3.46493649e-03 -9.88792381e-15] [ 2.91627385e-03 3.73188863e-03 -3.92238325e-14] [-2.77711150e-03 -1.41163115e-04 7.45025847e-04] [ 2.77711150e-03 1.41163115e-04 7.45025847e-04] [-2.77711150e-03 -1.41163115e-04 -7.45025846e-04] [ 2.77711150e-03 1.41163115e-04 -7.45025846e-04] [ 2.47349750e-03 -2.69738462e-03 2.46915369e-03] [ 2.47349750e-03 -2.69738462e-03 -2.46915369e-03] [-2.47349750e-03 2.69738462e-03 2.46915369e-03] [-2.47349750e-03 2.69738462e-03 -2.46915369e-03] [-2.91627385e-03 -3.73188863e-03 4.90199414e-14] [-4.43116614e-03 3.46493649e-03 1.69073827e-13] [ 4.43116614e-03 -3.46493649e-03 7.30137657e-15] [ 2.91627385e-03 3.73188863e-03 2.90388373e-14]] Final stress: [ 2.44563190e-04 -8.77573399e-05 2.43812772e-04 -3.32298558e-18 2.49223919e-17 -2.81868823e-04] Minimization converged after 64 steps. Minimization converged after 62 steps. Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.64348540e-04 -1.41744255e-14 -1.38847267e-14] [-5.64348540e-04 -4.16333634e-15 -3.12805337e-14] [-2.91077926e-14 6.73480410e-04 -6.02408859e-04] [-2.27595720e-14 -6.73480410e-04 6.02408859e-04] [-2.30449340e-14 -7.26869988e-04 4.95750490e-03] [ 1.57651669e-14 7.26869988e-04 -4.95750490e-03] [ 5.64348540e-04 5.57149812e-15 6.97116840e-15] [-5.64348540e-04 4.62000230e-15 1.48847130e-15] [-1.62469864e-14 6.73480410e-04 -6.02408859e-04] [-1.00709371e-14 -6.73480410e-04 6.02408859e-04] [-1.07570203e-14 -7.26869988e-04 4.95750490e-03] [-1.55825873e-14 7.26869988e-04 -4.95750490e-03] [ 4.50863879e-03 1.55236181e-03 -8.19021826e-04] [ 1.64933978e-03 -1.40047553e-03 -9.52175041e-04] [ 1.64933978e-03 1.40047553e-03 9.52175041e-04] [ 4.50863879e-03 -1.55236181e-03 8.19021826e-04] [-1.64933978e-03 1.40047553e-03 9.52175041e-04] [-4.50863879e-03 -1.55236181e-03 8.19021825e-04] [-1.64933978e-03 -1.40047553e-03 -9.52175041e-04] [-4.50863879e-03 1.55236181e-03 -8.19021826e-04] [ 4.50863879e-03 1.55236181e-03 -8.19021826e-04] [ 1.64933978e-03 -1.40047553e-03 -9.52175041e-04] [ 1.64933978e-03 1.40047553e-03 9.52175041e-04] [ 4.50863879e-03 -1.55236181e-03 8.19021826e-04] [-1.64933978e-03 1.40047553e-03 9.52175041e-04] [-4.50863879e-03 -1.55236181e-03 8.19021826e-04] [-1.64933978e-03 -1.40047553e-03 -9.52175041e-04] [-4.50863879e-03 1.55236181e-03 -8.19021826e-04] [ 5.15143483e-14 -5.90916205e-14 1.79217752e-13] [-9.44704384e-14 -1.01855625e-13 -2.43535622e-15] [-9.43689571e-15 4.43387581e-03 3.46258856e-03] [ 1.27294009e-14 2.91533079e-03 -3.73591058e-03] [-2.00221784e-14 -2.91533079e-03 3.73591058e-03] [ 1.07483467e-14 -4.43387581e-03 -3.46258856e-03] [ 7.46841402e-04 2.77605436e-03 -1.44352195e-04] [ 7.46841402e-04 -2.77605436e-03 1.44352195e-04] [-7.46841402e-04 2.77605436e-03 -1.44352195e-04] [-7.46841402e-04 -2.77605436e-03 1.44352195e-04] [ 2.46901984e-03 2.47337076e-03 2.69630875e-03] [-2.46901984e-03 2.47337076e-03 2.69630875e-03] [ 2.46901984e-03 -2.47337076e-03 -2.69630875e-03] [-2.46901984e-03 -2.47337076e-03 -2.69630875e-03] [ 3.65861855e-14 4.43387581e-03 3.46258856e-03] [-8.11200065e-15 2.91533079e-03 -3.73591058e-03] [ 1.51610495e-14 -2.91533079e-03 3.73591058e-03] [ 1.95390579e-14 -4.43387581e-03 -3.46258856e-03] [ 7.46841402e-04 2.77605436e-03 -1.44352195e-04] [ 7.46841402e-04 -2.77605436e-03 1.44352195e-04] [-7.46841403e-04 2.77605436e-03 -1.44352196e-04] [-7.46841402e-04 -2.77605436e-03 1.44352195e-04] [ 2.46901984e-03 2.47337076e-03 2.69630875e-03] [-2.46901984e-03 2.47337076e-03 2.69630875e-03] [ 2.46901984e-03 -2.47337076e-03 -2.69630875e-03] [-2.46901984e-03 -2.47337076e-03 -2.69630875e-03]] Final stress: [ 2.43824088e-04 2.44574810e-04 -8.77476201e-05 2.81896604e-04 -1.16304495e-17 -1.49534351e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61415748e-04 1.79899498e-14 5.22333912e-14] [-5.61415748e-04 8.21565038e-15 8.74300632e-15] [ 5.02323877e-14 6.70546549e-04 6.05696073e-04] [ 4.50750548e-14 -6.70546549e-04 -6.05696073e-04] [-3.07648872e-14 7.30152745e-04 4.95608523e-03] [ 4.29378755e-14 -7.30152745e-04 -4.95608523e-03] [ 5.61415748e-04 1.85372551e-14 -3.19694904e-15] [-5.61415748e-04 2.12117650e-14 2.86180013e-14] [-1.85259794e-14 6.70546549e-04 6.05696073e-04] [-3.36731511e-14 -6.70546549e-04 -6.05696073e-04] [-5.77966494e-15 7.30152745e-04 4.95608523e-03] [-1.70731485e-14 -7.30152745e-04 -4.95608523e-03] [-1.64631683e-03 1.40044259e-03 -9.51826441e-04] [-4.50585175e-03 -1.55262169e-03 -8.18330322e-04] [-4.50585175e-03 1.55262169e-03 8.18330322e-04] [-1.64631683e-03 -1.40044259e-03 9.51826441e-04] [ 4.50585175e-03 1.55262169e-03 8.18330321e-04] [ 1.64631683e-03 -1.40044259e-03 9.51826441e-04] [ 4.50585175e-03 -1.55262169e-03 -8.18330322e-04] [ 1.64631683e-03 1.40044259e-03 -9.51826441e-04] [-1.64631683e-03 1.40044259e-03 -9.51826441e-04] [-4.50585175e-03 -1.55262169e-03 -8.18330322e-04] [-4.50585175e-03 1.55262169e-03 8.18330322e-04] [-1.64631683e-03 -1.40044259e-03 9.51826441e-04] [ 4.50585175e-03 1.55262169e-03 8.18330322e-04] [ 1.64631683e-03 -1.40044259e-03 9.51826441e-04] [ 4.50585175e-03 -1.55262169e-03 -8.18330322e-04] [ 1.64631683e-03 1.40044259e-03 -9.51826441e-04] [ 6.64746036e-14 -6.56974475e-14 1.12132525e-13] [-1.25638649e-13 -8.12868331e-14 -7.05632281e-14] [-8.64863736e-14 -2.91642623e-03 -3.73123874e-03] [-4.09308004e-14 -4.43072830e-03 3.46531587e-03] [-1.78931522e-13 4.43072830e-03 -3.46531587e-03] [-7.99776911e-14 2.91642623e-03 3.73123874e-03] [ 7.44732483e-04 -2.77728231e-03 -1.40647816e-04] [ 7.44732483e-04 2.77728231e-03 1.40647816e-04] [-7.44732483e-04 -2.77728231e-03 -1.40647816e-04] [-7.44732483e-04 2.77728231e-03 1.40647816e-04] [ 2.46917531e-03 2.47351797e-03 -2.69755846e-03] [-2.46917531e-03 2.47351797e-03 -2.69755845e-03] [ 2.46917531e-03 -2.47351797e-03 2.69755845e-03] [-2.46917531e-03 -2.47351797e-03 2.69755846e-03] [ 3.29814301e-14 -2.91642623e-03 -3.73123874e-03] [-2.04944568e-14 -4.43072830e-03 3.46531587e-03] [ 2.04126646e-13 4.43072830e-03 -3.46531587e-03] [ 1.65558973e-13 2.91642623e-03 3.73123874e-03] [ 7.44732483e-04 -2.77728231e-03 -1.40647816e-04] [ 7.44732483e-04 2.77728231e-03 1.40647816e-04] [-7.44732482e-04 -2.77728231e-03 -1.40647816e-04] [-7.44732482e-04 2.77728231e-03 1.40647816e-04] [ 2.46917531e-03 2.47351797e-03 -2.69755845e-03] [-2.46917531e-03 2.47351797e-03 -2.69755846e-03] [ 2.46917531e-03 -2.47351797e-03 2.69755846e-03] [-2.46917531e-03 -2.47351797e-03 2.69755846e-03]] Final stress: [ 2.43810943e-04 2.44561312e-04 -8.77589101e-05 -2.81864335e-04 -5.48292621e-17 4.98447837e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.30186786e-02 1.56523666e-13 9.98853777e-15] [-5.30186786e-02 1.64923630e-13 4.60714800e-13] [ 4.69135147e-13 6.13208120e-02 -4.49341274e-02] [ 4.75147699e-13 -6.13208120e-02 4.49341274e-02] [ 5.64912700e-13 -5.10188272e-02 -2.19012571e-02] [-7.74380560e-15 5.10188272e-02 2.19012571e-02] [ 5.30186786e-02 1.08245878e-13 -4.10542124e-13] [-5.30186786e-02 -3.17410594e-13 -2.16805703e-13] [-2.32524937e-13 6.13208120e-02 -4.49341274e-02] [ 6.49805730e-14 -6.13208120e-02 4.49341274e-02] [-2.02911472e-13 -5.10188272e-02 -2.19012571e-02] [-2.51618171e-13 5.10188272e-02 2.19012571e-02] [-1.38175907e-02 -1.97206822e-02 -4.52352666e-03] [ 5.34720484e-02 3.90582195e-02 5.53826275e-03] [ 5.34720484e-02 -3.90582195e-02 -5.53826275e-03] [-1.38175907e-02 1.97206822e-02 4.52352666e-03] [-5.34720484e-02 -3.90582195e-02 -5.53826275e-03] [ 1.38175907e-02 1.97206822e-02 4.52352666e-03] [-5.34720484e-02 3.90582195e-02 5.53826275e-03] [ 1.38175907e-02 -1.97206822e-02 -4.52352666e-03] [-1.38175907e-02 -1.97206822e-02 -4.52352666e-03] [ 5.34720484e-02 3.90582195e-02 5.53826275e-03] [ 5.34720484e-02 -3.90582195e-02 -5.53826275e-03] [-1.38175907e-02 1.97206822e-02 4.52352666e-03] [-5.34720484e-02 -3.90582195e-02 -5.53826275e-03] [ 1.38175907e-02 1.97206822e-02 4.52352666e-03] [-5.34720484e-02 3.90582195e-02 5.53826275e-03] [ 1.38175907e-02 -1.97206822e-02 -4.52352666e-03] [ 4.50059434e-12 -2.36233255e-12 8.82682816e-13] [-2.53890962e-12 -1.35298903e-12 -8.17918289e-13] [-5.24691401e-13 7.81450137e-02 6.29688551e-02] [ 5.71022396e-13 6.22619805e-02 -8.82431188e-02] [-4.54396937e-13 -6.22619805e-02 8.82431188e-02] [-6.03770481e-13 -7.81450137e-02 -6.29688551e-02] [ 8.32124266e-03 1.03497502e-01 -4.62953169e-03] [ 8.32124266e-03 -1.03497502e-01 4.62953169e-03] [-8.32124266e-03 1.03497502e-01 -4.62953170e-03] [-8.32124266e-03 -1.03497502e-01 4.62953169e-03] [-8.06545876e-03 -3.53073943e-03 8.82872541e-02] [ 8.06545876e-03 -3.53073943e-03 8.82872541e-02] [-8.06545875e-03 3.53073943e-03 -8.82872541e-02] [ 8.06545875e-03 3.53073943e-03 -8.82872541e-02] [ 1.07066092e-12 7.81450137e-02 6.29688551e-02] [ 1.64207450e-12 6.22619805e-02 -8.82431188e-02] [ 3.03363541e-12 -6.22619805e-02 8.82431188e-02] [ 1.65700136e-12 -7.81450137e-02 -6.29688551e-02] [ 8.32124267e-03 1.03497502e-01 -4.62953171e-03] [ 8.32124267e-03 -1.03497502e-01 4.62953170e-03] [-8.32124267e-03 1.03497502e-01 -4.62953171e-03] [-8.32124268e-03 -1.03497502e-01 4.62953171e-03] [-8.06545877e-03 -3.53073942e-03 8.82872541e-02] [ 8.06545877e-03 -3.53073941e-03 8.82872541e-02] [-8.06545877e-03 3.53073942e-03 -8.82872541e-02] [ 8.06545877e-03 3.53073941e-03 -8.82872541e-02]] Final stress: [-7.73729756e-04 -8.75704953e-04 7.09145121e-04 1.83124559e-05 1.23104251e-16 -1.23104251e-16] Minimization converged after 64 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.72095397e-04 2.11016100e-14 -6.03960681e-04] [-6.72095397e-04 1.45439216e-14 6.03960681e-04] [-2.19225679e-14 5.62964033e-04 -1.40100605e-14] [-1.63757896e-14 -5.62964033e-04 -9.43689571e-16] [-7.28419706e-04 -1.08871245e-14 4.95683471e-03] [ 7.28419706e-04 3.15858451e-14 -4.95683471e-03] [ 6.72095397e-04 3.91787297e-15 -6.03960681e-04] [-6.72095397e-04 3.89228580e-15 6.03960681e-04] [-1.34614542e-14 5.62964033e-04 1.79265418e-16] [ 1.64052799e-14 -5.62964033e-04 -1.81036621e-14] [-7.28419706e-04 -7.59130101e-15 4.95683471e-03] [ 7.28419706e-04 1.67288625e-14 -4.95683471e-03] [ 1.55248450e-03 4.50732309e-03 -8.18695382e-04] [-1.40045998e-03 1.64791271e-03 -9.52010475e-04] [-1.55248450e-03 4.50732309e-03 8.18695382e-04] [ 1.40045998e-03 1.64791271e-03 9.52010475e-04] [ 1.40045998e-03 -1.64791271e-03 9.52010475e-04] [-1.55248450e-03 -4.50732309e-03 8.18695382e-04] [ 1.55248450e-03 -4.50732309e-03 -8.18695382e-04] [-1.40045998e-03 -1.64791271e-03 -9.52010475e-04] [ 1.55248450e-03 4.50732309e-03 -8.18695382e-04] [-1.40045998e-03 1.64791271e-03 -9.52010475e-04] [-1.55248450e-03 4.50732309e-03 8.18695382e-04] [ 1.40045998e-03 1.64791271e-03 9.52010475e-04] [ 1.40045998e-03 -1.64791271e-03 9.52010475e-04] [-1.55248450e-03 -4.50732309e-03 8.18695382e-04] [ 1.55248450e-03 -4.50732309e-03 -8.18695382e-04] [-1.40045998e-03 -1.64791271e-03 -9.52010475e-04] [ 8.69027073e-14 -1.97980521e-13 1.48908663e-13] [-7.49825549e-14 -7.36567229e-14 1.70005469e-14] [ 2.77663405e-03 7.45845828e-04 -1.42603440e-04] [ 2.77663405e-03 -7.45845828e-04 -1.42603440e-04] [-2.77663405e-03 7.45845828e-04 1.42603440e-04] [-2.77663405e-03 -7.45845828e-04 1.42603440e-04] [ 4.43238994e-03 3.86357613e-14 3.46387606e-03] [-2.91584792e-03 -5.10633202e-14 3.73370511e-03] [ 2.91584792e-03 6.03683770e-16 -3.73370511e-03] [-4.43238994e-03 1.12843762e-14 -3.46387606e-03] [ 2.47344026e-03 2.46909324e-03 2.69689871e-03] [-2.47344026e-03 2.46909324e-03 -2.69689871e-03] [ 2.47344026e-03 -2.46909324e-03 2.69689871e-03] [-2.47344026e-03 -2.46909324e-03 -2.69689871e-03] [ 2.77663405e-03 7.45845829e-04 -1.42603441e-04] [ 2.77663405e-03 -7.45845829e-04 -1.42603441e-04] [-2.77663405e-03 7.45845829e-04 1.42603441e-04] [-2.77663405e-03 -7.45845829e-04 1.42603441e-04] [ 4.43238994e-03 -1.03412894e-13 3.46387606e-03] [-2.91584792e-03 -1.13630676e-13 3.73370511e-03] [ 2.91584792e-03 -1.10259891e-13 -3.73370511e-03] [-4.43238994e-03 -8.64399698e-14 -3.46387606e-03] [ 2.47344026e-03 2.46909324e-03 2.69689871e-03] [-2.47344026e-03 2.46909324e-03 -2.69689871e-03] [ 2.47344026e-03 -2.46909324e-03 2.69689871e-03] [-2.47344026e-03 -2.46909324e-03 -2.69689871e-03]] Final stress: [ 2.44568438e-04 2.43817883e-04 -8.77529500e-05 -6.81212044e-17 2.81881370e-04 -1.16304495e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.72664924e-04 -1.68723542e-14 6.03322560e-04] [-6.72664924e-04 -2.29816166e-14 -6.03322560e-04] [ 3.89818386e-14 5.63533353e-04 3.98587413e-14] [ 3.92463839e-14 -5.63533353e-04 4.57966998e-14] [ 7.27782449e-04 -3.93860292e-14 4.95711028e-03] [-7.27782450e-04 8.60422844e-16 -4.95711028e-03] [ 6.72664925e-04 -2.06102496e-14 6.03322560e-04] [-6.72664924e-04 -1.82332448e-14 -6.03322560e-04] [ 2.13119453e-14 5.63533353e-04 -2.09614331e-14] [ 1.75020588e-14 -5.63533353e-04 2.52711835e-14] [ 7.27782449e-04 3.86598956e-14 4.95711028e-03] [-7.27782450e-04 -1.12401569e-14 -4.95711028e-03] [ 1.40046637e-03 -1.64849953e-03 -9.52078146e-04] [-1.55243404e-03 -4.50786411e-03 -8.18829617e-04] [-1.40046637e-03 -1.64849953e-03 9.52078146e-04] [ 1.55243404e-03 -4.50786411e-03 8.18829617e-04] [ 1.55243404e-03 4.50786411e-03 8.18829617e-04] [-1.40046637e-03 1.64849953e-03 9.52078146e-04] [ 1.40046637e-03 1.64849953e-03 -9.52078146e-04] [-1.55243404e-03 4.50786411e-03 -8.18829617e-04] [ 1.40046637e-03 -1.64849953e-03 -9.52078146e-04] [-1.55243404e-03 -4.50786411e-03 -8.18829617e-04] [-1.40046637e-03 -1.64849953e-03 9.52078146e-04] [ 1.55243404e-03 -4.50786411e-03 8.18829617e-04] [ 1.55243404e-03 4.50786411e-03 8.18829617e-04] [-1.40046637e-03 1.64849953e-03 9.52078146e-04] [ 1.40046637e-03 1.64849953e-03 -9.52078146e-04] [-1.55243404e-03 4.50786411e-03 -8.18829617e-04] [ 1.30645494e-13 -7.26640970e-14 1.73944192e-13] [-1.35771169e-13 -7.20475670e-14 -5.41671230e-14] [-2.77639567e-03 7.46255213e-04 -1.43322544e-04] [-2.77639567e-03 -7.46255213e-04 -1.43322544e-04] [ 2.77639567e-03 7.46255213e-04 1.43322544e-04] [ 2.77639567e-03 -7.46255212e-04 1.43322543e-04] [-2.91563527e-03 -1.45439216e-14 -3.73461201e-03] [ 4.43300093e-03 -3.77285009e-14 -3.46334662e-03] [-4.43300093e-03 -4.28216490e-14 3.46334662e-03] [ 2.91563527e-03 -3.93053645e-14 3.73461201e-03] [ 2.47341167e-03 2.46906305e-03 -2.69665610e-03] [-2.47341168e-03 2.46906305e-03 2.69665610e-03] [ 2.47341167e-03 -2.46906305e-03 -2.69665610e-03] [-2.47341168e-03 -2.46906305e-03 2.69665610e-03] [-2.77639567e-03 7.46255212e-04 -1.43322543e-04] [-2.77639567e-03 -7.46255212e-04 -1.43322543e-04] [ 2.77639567e-03 7.46255212e-04 1.43322543e-04] [ 2.77639567e-03 -7.46255212e-04 1.43322543e-04] [-2.91563527e-03 -1.22573112e-13 -3.73461201e-03] [ 4.43300093e-03 7.33310981e-15 -3.46334662e-03] [-4.43300093e-03 -9.09645623e-14 3.46334662e-03] [ 2.91563527e-03 7.52436308e-15 3.73461201e-03] [ 2.47341167e-03 2.46906305e-03 -2.69665610e-03] [-2.47341167e-03 2.46906305e-03 2.69665610e-03] [ 2.47341167e-03 -2.46906305e-03 -2.69665610e-03] [-2.47341167e-03 -2.46906305e-03 2.69665610e-03]] Final stress: [ 2.44571058e-04 2.43820434e-04 -8.77507579e-05 -3.32298558e-17 -2.81887635e-04 -1.16304495e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.92946104e-02 -1.29473255e-13 -4.98150243e-02] [-5.92946104e-02 1.47104551e-14 4.98150243e-02] [ 7.19931493e-13 5.06984589e-02 3.94838676e-13] [ 3.84858811e-13 -5.06984589e-02 -1.13936638e-13] [-5.70939024e-02 -4.69118451e-13 -2.57705253e-02] [ 5.70939024e-02 2.92876834e-13 2.57705252e-02] [ 5.92946104e-02 2.39119488e-13 -4.98150243e-02] [-5.92946104e-02 1.21964504e-13 4.98150243e-02] [-3.53017528e-13 5.06984589e-02 -1.62242224e-13] [-6.03540221e-13 -5.06984589e-02 1.85484366e-13] [-5.70939024e-02 3.65126575e-13 -2.57705253e-02] [ 5.70939024e-02 -2.19798004e-13 2.57705253e-02] [-1.51547210e-02 -1.55037591e-02 -8.92070394e-06] [ 4.35363279e-02 4.95044994e-02 2.13981476e-03] [ 1.51547210e-02 -1.55037591e-02 8.92070448e-06] [-4.35363279e-02 4.95044994e-02 -2.13981476e-03] [-4.35363279e-02 -4.95044994e-02 -2.13981476e-03] [ 1.51547210e-02 1.55037591e-02 8.92070503e-06] [-1.51547210e-02 1.55037591e-02 -8.92070348e-06] [ 4.35363279e-02 -4.95044994e-02 2.13981476e-03] [-1.51547210e-02 -1.55037591e-02 -8.92070489e-06] [ 4.35363279e-02 4.95044994e-02 2.13981475e-03] [ 1.51547210e-02 -1.55037591e-02 8.92070339e-06] [-4.35363279e-02 4.95044994e-02 -2.13981476e-03] [-4.35363279e-02 -4.95044994e-02 -2.13981476e-03] [ 1.51547210e-02 1.55037591e-02 8.92070349e-06] [-1.51547210e-02 1.55037591e-02 -8.92070500e-06] [ 4.35363279e-02 -4.95044994e-02 2.13981476e-03] [ 6.09512441e-13 -1.76095249e-12 3.48987506e-12] [-1.24648859e-12 -3.53078244e-13 -1.61120698e-12] [ 9.82840880e-02 1.45737739e-02 -1.07891756e-02] [ 9.82840880e-02 -1.45737739e-02 -1.07891756e-02] [-9.82840880e-02 1.45737739e-02 1.07891756e-02] [-9.82840880e-02 -1.45737739e-02 1.07891756e-02] [ 9.02681131e-02 -2.36299869e-12 6.49172733e-02] [-6.18660257e-02 -2.51789041e-12 1.00467618e-01] [ 6.18660257e-02 -2.19610788e-13 -1.00467618e-01] [-9.02681131e-02 -3.46331029e-12 -6.49172733e-02] [-7.14465485e-03 -1.01826708e-02 8.26455422e-02] [ 7.14465485e-03 -1.01826708e-02 -8.26455422e-02] [-7.14465485e-03 1.01826708e-02 8.26455422e-02] [ 7.14465485e-03 1.01826708e-02 -8.26455422e-02] [ 9.82840880e-02 1.45737739e-02 -1.07891756e-02] [ 9.82840880e-02 -1.45737739e-02 -1.07891756e-02] [-9.82840880e-02 1.45737739e-02 1.07891756e-02] [-9.82840880e-02 -1.45737739e-02 1.07891756e-02] [ 9.02681131e-02 -1.43801488e-12 6.49172733e-02] [-6.18660257e-02 -1.18487655e-12 1.00467618e-01] [ 6.18660257e-02 -8.60885582e-13 -1.00467618e-01] [-9.02681131e-02 1.74556983e-13 -6.49172733e-02] [-7.14465485e-03 -1.01826708e-02 8.26455422e-02] [ 7.14465485e-03 -1.01826708e-02 -8.26455422e-02] [-7.14465484e-03 1.01826708e-02 8.26455422e-02] [ 7.14465484e-03 1.01826708e-02 -8.26455422e-02]] Final stress: [-9.26168346e-04 -8.20773034e-04 6.14033197e-04 8.03504772e-16 -2.56252158e-05 3.32714191e-17] Minimization converged after 62 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 13 steps. Minimization converged after 12 steps. Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.19460199e-03 -1.08858235e-14 7.90903801e-15] [-3.19460199e-03 -2.22044605e-16 9.54791801e-15] [ 1.54451105e-14 3.19460199e-03 2.08405342e-14] [ 5.22915045e-14 -3.19460199e-03 4.66293670e-15] [-2.00273825e-14 -1.75640752e-15 5.31536057e-04] [ 3.19189120e-14 8.32667268e-16 -5.31536057e-04] [ 3.19460199e-03 1.38595732e-14 2.47411049e-14] [-3.19460199e-03 4.64476548e-14 -2.66622160e-14] [ 1.85945009e-14 3.19460199e-03 1.28296262e-14] [-2.16042462e-14 -3.19460199e-03 -1.55267998e-14] [-1.85741179e-14 1.15908533e-14 5.31536057e-04] [-3.88673468e-14 8.76496486e-15 -5.31536057e-04] [ 5.33185716e-05 5.33185716e-05 1.43896769e-03] [-5.33185715e-05 -5.33185715e-05 1.43896769e-03] [-5.33185715e-05 5.33185716e-05 -1.43896769e-03] [ 5.33185716e-05 -5.33185715e-05 -1.43896769e-03] [ 5.33185716e-05 5.33185715e-05 -1.43896769e-03] [-5.33185715e-05 -5.33185715e-05 -1.43896769e-03] [ 5.33185716e-05 -5.33185716e-05 1.43896769e-03] [-5.33185715e-05 5.33185716e-05 1.43896769e-03] [ 5.33185715e-05 5.33185715e-05 1.43896769e-03] [-5.33185716e-05 -5.33185716e-05 1.43896769e-03] [-5.33185717e-05 5.33185715e-05 -1.43896769e-03] [ 5.33185715e-05 -5.33185715e-05 -1.43896769e-03] [ 5.33185715e-05 5.33185715e-05 -1.43896769e-03] [-5.33185716e-05 -5.33185716e-05 -1.43896769e-03] [ 5.33185715e-05 -5.33185714e-05 1.43896769e-03] [-5.33185716e-05 5.33185716e-05 1.43896769e-03] [ 1.90208960e-13 -1.42996726e-13 1.42497125e-13] [-4.92505342e-14 -2.26295858e-13 -4.82611547e-15] [-1.57762692e-13 2.04261664e-04 8.05915785e-04] [-1.85174792e-13 -2.04261664e-04 8.05915785e-04] [-7.83054177e-15 2.04261664e-04 -8.05915785e-04] [ 4.65426309e-15 -2.04261664e-04 -8.05915785e-04] [ 2.04261664e-04 -7.51620988e-14 8.05915785e-04] [ 2.04261664e-04 -2.13827220e-13 -8.05915786e-04] [-2.04261664e-04 -8.82176276e-14 8.05915785e-04] [-2.04261664e-04 -4.73718287e-14 -8.05915785e-04] [-5.27561885e-04 -5.27561885e-04 -1.36113343e-13] [ 5.27561885e-04 -5.27561885e-04 -1.29991504e-13] [-5.27561885e-04 5.27561885e-04 1.11780377e-13] [ 5.27561885e-04 5.27561885e-04 -7.47370915e-14] [ 5.26527606e-14 2.04261664e-04 8.05915785e-04] [ 6.36903724e-14 -2.04261664e-04 8.05915785e-04] [ 5.57479410e-14 2.04261664e-04 -8.05915785e-04] [ 7.83500868e-14 -2.04261664e-04 -8.05915785e-04] [ 2.04261664e-04 -4.67767162e-14 8.05915785e-04] [ 2.04261664e-04 8.62959877e-15 -8.05915785e-04] [-2.04261664e-04 -1.91675235e-13 8.05915785e-04] [-2.04261664e-04 3.12510434e-14 -8.05915785e-04] [-5.27561885e-04 -5.27561885e-04 2.51200669e-13] [ 5.27561886e-04 -5.27561885e-04 2.62973040e-13] [-5.27561885e-04 5.27561885e-04 2.41790830e-13] [ 5.27561885e-04 5.27561885e-04 6.66125141e-14]] Final stress: [ 1.29401027e-04 1.29401027e-04 3.26044588e-04 3.48858822e-17 4.48532771e-17 -6.14656019e-17] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.08152517e-03 -2.12733477e-14 2.67719874e-14] [ 5.08152517e-03 1.41830991e-14 3.82471832e-14] [-2.30718222e-14 -5.08152517e-03 6.78354942e-14] [ 4.83779683e-14 5.08152517e-03 1.02889919e-13] [-1.32009854e-13 -3.89428073e-14 3.07567843e-04] [-1.69864123e-13 -1.26537669e-13 -3.07567843e-04] [-5.08152517e-03 9.88284975e-14 3.59378981e-14] [ 5.08152517e-03 -1.34788014e-15 -5.69086285e-14] [ 6.83606817e-14 -5.08152517e-03 6.98001340e-14] [ 2.98762751e-14 5.08152517e-03 -6.56875544e-14] [-1.26400192e-13 -8.00111501e-14 3.07567843e-04] [-7.47592092e-14 -1.68868826e-14 -3.07567843e-04] [-4.61903575e-04 -4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 -4.61903575e-04 2.80206983e-03] [-4.61903575e-04 4.61903575e-04 2.80206983e-03] [-4.61903575e-04 -4.61903575e-04 2.80206983e-03] [ 4.61903575e-04 4.61903575e-04 2.80206983e-03] [-4.61903575e-04 4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 -4.61903575e-04 -2.80206983e-03] [-4.61903575e-04 -4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 -4.61903575e-04 2.80206983e-03] [-4.61903575e-04 4.61903575e-04 2.80206983e-03] [-4.61903575e-04 -4.61903575e-04 2.80206983e-03] [ 4.61903575e-04 4.61903575e-04 2.80206983e-03] [-4.61903575e-04 4.61903575e-04 -2.80206983e-03] [ 4.61903575e-04 -4.61903575e-04 -2.80206983e-03] [ 2.18741691e-13 -9.98368055e-14 4.19553281e-13] [ 2.26883616e-13 5.11514676e-14 -5.92434088e-14] [-3.56048524e-13 -2.04169691e-03 -6.99109287e-04] [-1.73902559e-13 2.04169691e-03 -6.99109286e-04] [ 4.25735835e-14 -2.04169691e-03 6.99109286e-04] [ 8.65054556e-14 2.04169691e-03 6.99109286e-04] [-2.04169691e-03 -3.43058915e-14 -6.99109286e-04] [-2.04169691e-03 2.71510245e-13 6.99109286e-04] [ 2.04169691e-03 -1.91459695e-13 -6.99109286e-04] [ 2.04169691e-03 1.95499866e-13 6.99109286e-04] [ 5.69556161e-04 5.69556161e-04 3.68816089e-13] [-5.69556161e-04 5.69556161e-04 1.15680035e-13] [ 5.69556161e-04 -5.69556161e-04 1.85037749e-13] [-5.69556162e-04 -5.69556161e-04 -5.32022343e-14] [ 1.00102652e-13 -2.04169691e-03 -6.99109286e-04] [ 6.73996449e-14 2.04169691e-03 -6.99109286e-04] [ 1.93516644e-13 -2.04169691e-03 6.99109286e-04] [-9.98871125e-14 2.04169691e-03 6.99109286e-04] [-2.04169691e-03 -2.21671856e-13 -6.99109286e-04] [-2.04169691e-03 -2.40939864e-13 6.99109286e-04] [ 2.04169691e-03 -2.17762440e-13 -6.99109287e-04] [ 2.04169691e-03 -1.71180778e-13 6.99109286e-04] [ 5.69556161e-04 5.69556161e-04 2.64161567e-13] [-5.69556161e-04 5.69556162e-04 3.29124233e-13] [ 5.69556161e-04 -5.69556161e-04 4.35034448e-13] [-5.69556161e-04 -5.69556161e-04 5.94775097e-13]] Final stress: [-7.47298871e-05 -7.47298871e-05 -3.60892837e-04 1.06485132e-16 1.24787264e-16 3.16127736e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.19460200e-03 4.50594423e-16 6.66311624e-14] [-3.19460200e-03 -1.31006317e-14 1.94011474e-14] [-3.49633517e-15 5.31536059e-04 2.22929314e-14] [-6.02295991e-14 -5.31536059e-04 -6.66133815e-16] [ 6.15393153e-16 -8.28243724e-15 3.19460200e-03] [ 2.32591724e-14 3.94129174e-15 -3.19460200e-03] [ 3.19460200e-03 6.56809676e-15 2.15973073e-14] [-3.19460200e-03 1.27502175e-14 -4.15221893e-15] [-1.55648064e-14 5.31536059e-04 4.30476140e-15] [ 1.10957250e-14 -5.31536059e-04 -1.58727967e-14] [ 6.94800120e-15 -2.33155842e-15 3.19460200e-03] [ 3.78646767e-15 3.25823987e-14 -3.19460200e-03] [ 5.33185719e-05 1.43896769e-03 5.33185719e-05] [-5.33185720e-05 -1.43896769e-03 5.33185720e-05] [-5.33185719e-05 1.43896769e-03 -5.33185720e-05] [ 5.33185719e-05 -1.43896769e-03 -5.33185720e-05] [ 5.33185719e-05 1.43896769e-03 -5.33185720e-05] [-5.33185719e-05 -1.43896769e-03 -5.33185719e-05] [ 5.33185720e-05 -1.43896769e-03 5.33185719e-05] [-5.33185720e-05 1.43896769e-03 5.33185720e-05] [ 5.33185718e-05 1.43896769e-03 5.33185718e-05] [-5.33185720e-05 -1.43896769e-03 5.33185719e-05] [-5.33185720e-05 1.43896769e-03 -5.33185721e-05] [ 5.33185719e-05 -1.43896769e-03 -5.33185720e-05] [ 5.33185719e-05 1.43896769e-03 -5.33185720e-05] [-5.33185721e-05 -1.43896769e-03 -5.33185720e-05] [ 5.33185719e-05 -1.43896769e-03 5.33185719e-05] [-5.33185719e-05 1.43896769e-03 5.33185719e-05] [ 1.65173430e-13 9.57289803e-14 3.21825899e-13] [ 1.75791673e-13 -7.38193080e-14 -1.19712447e-14] [-9.96980276e-14 8.05915786e-04 2.04261663e-04] [-1.28941996e-13 -8.05915787e-04 2.04261663e-04] [-1.97581534e-13 8.05915786e-04 -2.04261663e-04] [ 7.33094141e-15 -8.05915786e-04 -2.04261663e-04] [-5.27561886e-04 -1.48658863e-13 -5.27561886e-04] [-5.27561886e-04 -1.26725019e-13 5.27561886e-04] [ 5.27561886e-04 -1.64621788e-13 -5.27561886e-04] [ 5.27561886e-04 -1.01561121e-13 5.27561886e-04] [ 2.04261663e-04 8.05915787e-04 -5.07371922e-14] [-2.04261664e-04 8.05915786e-04 -2.42288828e-14] [ 2.04261663e-04 -8.05915787e-04 -4.42805514e-14] [-2.04261664e-04 -8.05915786e-04 -6.99579283e-14] [ 1.20349043e-13 8.05915786e-04 2.04261663e-04] [ 1.41622825e-13 -8.05915786e-04 2.04261663e-04] [ 7.53988885e-14 8.05915787e-04 -2.04261663e-04] [ 2.64408721e-13 -8.05915787e-04 -2.04261663e-04] [-5.27561886e-04 -1.03284425e-13 -5.27561886e-04] [-5.27561886e-04 6.80536356e-14 5.27561886e-04] [ 5.27561886e-04 3.16348510e-14 -5.27561886e-04] [ 5.27561886e-04 4.72881283e-14 5.27561886e-04] [ 2.04261663e-04 8.05915786e-04 2.27488216e-13] [-2.04261663e-04 8.05915787e-04 2.88592328e-13] [ 2.04261664e-04 -8.05915786e-04 2.35935400e-13] [-2.04261663e-04 -8.05915787e-04 7.88145590e-14]] Final stress: [ 1.29401027e-04 3.26044588e-04 1.29401027e-04 -2.99021847e-17 8.80453216e-17 -3.48858822e-17] Minimization converged after 38 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.06227160e-03 -1.21056810e-13 8.39545447e-14] [ 5.06227160e-03 -2.38697950e-14 -8.52096171e-15] [-1.09494011e-13 3.42472556e-04 7.71236373e-14] [-5.25690602e-14 -3.42472555e-04 -1.34114941e-13] [-8.61606793e-14 9.03964403e-14 -5.06227160e-03] [ 1.05276898e-13 8.39328607e-14 5.06227160e-03] [-5.06227160e-03 8.31539698e-15 2.46019818e-15] [ 5.06227160e-03 -2.42232449e-14 -8.76413077e-15] [ 1.36480671e-13 3.42472555e-04 1.59248515e-14] [ 1.01862963e-14 -3.42472555e-04 1.87805185e-14] [-1.50458205e-13 5.27153497e-14 -5.06227160e-03] [-5.74280207e-14 2.28888187e-13 5.06227160e-03] [-4.63100720e-04 -2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 -2.80214109e-03 4.63100720e-04] [-4.63100720e-04 2.80214109e-03 4.63100720e-04] [-4.63100720e-04 -2.80214109e-03 4.63100720e-04] [ 4.63100720e-04 2.80214109e-03 4.63100720e-04] [-4.63100720e-04 2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 -2.80214109e-03 -4.63100720e-04] [-4.63100720e-04 -2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 -2.80214109e-03 4.63100720e-04] [-4.63100720e-04 2.80214109e-03 4.63100720e-04] [-4.63100720e-04 -2.80214109e-03 4.63100720e-04] [ 4.63100720e-04 2.80214109e-03 4.63100720e-04] [-4.63100720e-04 2.80214109e-03 -4.63100720e-04] [ 4.63100720e-04 -2.80214109e-03 -4.63100720e-04] [ 3.89410726e-13 -1.23429045e-13 3.76726428e-13] [ 1.22081165e-15 1.92702998e-13 7.01207078e-14] [-6.65023592e-14 -6.10324899e-04 -2.11876488e-03] [-4.63986488e-14 6.10324898e-04 -2.11876488e-03] [-8.49858378e-14 -6.10324899e-04 2.11876488e-03] [ 1.15359111e-14 6.10324899e-04 2.11876488e-03] [ 5.63108479e-04 -4.11892742e-14 5.63108481e-04] [ 5.63108480e-04 5.65710673e-14 -5.63108480e-04] [-5.63108480e-04 -2.24978022e-13 5.63108480e-04] [-5.63108480e-04 -1.00117831e-13 -5.63108480e-04] [-2.11876488e-03 -6.10324899e-04 3.93463040e-13] [ 2.11876488e-03 -6.10324899e-04 2.44042633e-13] [-2.11876488e-03 6.10324899e-04 1.10791584e-13] [ 2.11876488e-03 6.10324899e-04 -8.21547691e-14] [ 3.23084875e-13 -6.10324899e-04 -2.11876488e-03] [ 8.86491401e-14 6.10324899e-04 -2.11876488e-03] [ 2.91531122e-13 -6.10324899e-04 2.11876488e-03] [ 2.72612662e-13 6.10324900e-04 2.11876488e-03] [ 5.63108480e-04 -7.67466590e-14 5.63108480e-04] [ 5.63108480e-04 -6.28043624e-14 -5.63108480e-04] [-5.63108480e-04 -1.30197502e-13 5.63108480e-04] [-5.63108480e-04 -1.98445860e-13 -5.63108480e-04] [-2.11876488e-03 -6.10324899e-04 9.83628079e-14] [ 2.11876488e-03 -6.10324898e-04 5.54527873e-14] [-2.11876488e-03 6.10324899e-04 2.98086784e-13] [ 2.11876488e-03 6.10324899e-04 -5.30951151e-14]] Final stress: [-7.47189799e-05 -3.61149902e-04 -7.47189799e-05 -1.11476623e-16 -2.64549000e-16 2.99489434e-17] Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-1.56810226e-01 -4.22523991e-11 1.55649447e-01] [ 1.56810226e-01 1.24449534e-10 -1.55649447e-01] [ 4.91529315e-11 -4.26539555e-02 2.46465684e-12] [ 2.84911539e-11 4.26539554e-02 8.33083602e-11] [ 1.17494834e-01 1.27330751e-10 -4.03528870e-02] [-1.17494834e-01 -6.88707702e-11 4.03528870e-02] [-1.56810226e-01 9.39492412e-11 1.55649447e-01] [ 1.56810226e-01 5.05033719e-11 -1.55649447e-01] [-9.32876948e-11 -4.26539553e-02 2.29350860e-13] [-1.56591459e-11 4.26539556e-02 -6.77424491e-11] [ 1.17494833e-01 -1.69799802e-10 -4.03528871e-02] [-1.17494833e-01 7.18733181e-11 4.03528871e-02] [ 2.68639110e-02 3.58878182e-02 -1.08136830e-01] [-1.41783466e-01 -2.48835814e-02 -3.50447884e-02] [-2.68639111e-02 3.58878182e-02 1.08136830e-01] [ 1.41783466e-01 -2.48835812e-02 3.50447884e-02] [ 1.41783466e-01 2.48835813e-02 3.50447885e-02] [-2.68639110e-02 -3.58878181e-02 1.08136830e-01] [ 2.68639112e-02 -3.58878182e-02 -1.08136830e-01] [-1.41783466e-01 2.48835814e-02 -3.50447882e-02] [ 2.68639112e-02 3.58878179e-02 -1.08136830e-01] [-1.41783466e-01 -2.48835811e-02 -3.50447883e-02] [-2.68639113e-02 3.58878180e-02 1.08136830e-01] [ 1.41783466e-01 -2.48835813e-02 3.50447883e-02] [ 1.41783466e-01 2.48835812e-02 3.50447882e-02] [-2.68639113e-02 -3.58878179e-02 1.08136830e-01] [ 2.68639113e-02 -3.58878179e-02 -1.08136830e-01] [-1.41783466e-01 2.48835812e-02 -3.50447883e-02] [ 2.52324217e-10 4.86687912e-11 1.67277914e-10] [ 1.57697146e-10 -1.86794281e-10 -1.56817850e-10] [ 2.48880334e-01 4.88332930e-02 1.66163539e-02] [ 2.48880334e-01 -4.88332928e-02 1.66163544e-02] [-2.48880334e-01 4.88332926e-02 -1.66163541e-02] [-2.48880334e-01 -4.88332926e-02 -1.66163542e-02] [-1.49527882e-01 -2.90705127e-10 -1.11640411e-01] [-2.63962852e-01 1.38448586e-10 -1.79629417e-02] [ 2.63962852e-01 -3.43058248e-10 1.79629412e-02] [ 1.49527882e-01 2.66314717e-11 1.11640411e-01] [-5.55365112e-02 1.03319570e-01 1.81699647e-01] [ 5.55365113e-02 1.03319571e-01 -1.81699647e-01] [-5.55365118e-02 -1.03319571e-01 1.81699647e-01] [ 5.55365116e-02 -1.03319571e-01 -1.81699648e-01] [ 2.48880335e-01 4.88332821e-02 1.66163643e-02] [ 2.48880335e-01 -4.88332820e-02 1.66163648e-02] [-2.48880334e-01 4.88332830e-02 -1.66163639e-02] [-2.48880334e-01 -4.88332823e-02 -1.66163648e-02] [-1.49527874e-01 -5.52360280e-13 -1.11640419e-01] [-2.63962845e-01 -1.30644240e-10 -1.79629333e-02] [ 2.63962845e-01 2.75908717e-10 1.79629334e-02] [ 1.49527874e-01 2.03562514e-12 1.11640419e-01] [-5.55365192e-02 1.03319579e-01 1.81699647e-01] [ 5.55365192e-02 1.03319579e-01 -1.81699647e-01] [-5.55365193e-02 -1.03319579e-01 1.81699647e-01] [ 5.55365195e-02 -1.03319579e-01 -1.81699647e-01]] Final stress: [-1.01194933e-03 -2.67755213e-03 -3.51867491e-03 -3.02105097e-13 4.85420687e-04 -2.26861148e-13] Minimization converged after 66 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-3.59548523e-02 1.96924488e-02 1.13766107e-11] [ 3.59548523e-02 -1.96924488e-02 -7.53694329e-12] [ 2.17293383e-02 7.22891908e-03 -1.09391558e-11] [-2.17293383e-02 -7.22891908e-03 4.71625516e-12] [ 1.24847376e-11 -1.98172858e-12 -3.83288341e-02] [ 2.04652406e-11 3.72202269e-12 3.83288341e-02] [-3.59548523e-02 1.96924488e-02 -1.90892537e-11] [ 3.59548524e-02 -1.96924488e-02 3.42814398e-12] [ 2.17293383e-02 7.22891910e-03 1.30407440e-11] [-2.17293383e-02 -7.22891907e-03 -1.31251592e-11] [-5.83164289e-12 1.52574608e-11 -3.83288341e-02] [-1.34601401e-12 -9.10033852e-12 3.83288341e-02] [ 1.54271540e-02 -7.12266300e-03 -7.54588365e-03] [-1.54271539e-02 7.12266301e-03 -7.54588367e-03] [-1.59515917e-02 -2.35534256e-02 -1.60741953e-02] [ 1.59515917e-02 2.35534256e-02 -1.60741953e-02] [ 1.54271540e-02 -7.12266297e-03 7.54588363e-03] [-1.54271540e-02 7.12266302e-03 7.54588366e-03] [ 1.59515917e-02 2.35534256e-02 1.60741953e-02] [-1.59515917e-02 -2.35534256e-02 1.60741953e-02] [ 1.54271540e-02 -7.12266299e-03 -7.54588366e-03] [-1.54271540e-02 7.12266301e-03 -7.54588366e-03] [-1.59515917e-02 -2.35534256e-02 -1.60741953e-02] [ 1.59515917e-02 2.35534256e-02 -1.60741953e-02] [ 1.54271540e-02 -7.12266301e-03 7.54588366e-03] [-1.54271540e-02 7.12266299e-03 7.54588364e-03] [ 1.59515917e-02 2.35534256e-02 1.60741953e-02] [-1.59515917e-02 -2.35534256e-02 1.60741953e-02] [-6.21183660e-12 1.57422964e-11 -7.99282862e-12] [-6.30601383e-11 -3.27826345e-11 2.07720569e-11] [-6.24486306e-03 1.28182027e-02 1.12682588e-03] [ 6.24486306e-03 -1.28182027e-02 1.12682593e-03] [-6.24486308e-03 1.28182026e-02 -1.12682594e-03] [ 6.24486302e-03 -1.28182026e-02 -1.12682592e-03] [ 3.83321418e-03 5.70420824e-03 -5.14805229e-03] [ 3.83321422e-03 5.70420827e-03 5.14805230e-03] [-3.83321423e-03 -5.70420825e-03 -5.14805235e-03] [-3.83321425e-03 -5.70420825e-03 5.14805232e-03] [-3.00712431e-02 -2.19464222e-02 -3.70181663e-12] [ 1.20798069e-02 -1.97322181e-02 -2.35689922e-11] [-1.20798070e-02 1.97322181e-02 1.17829184e-12] [ 3.00712431e-02 2.19464223e-02 2.34329836e-11] [-6.24486301e-03 1.28182027e-02 1.12682590e-03] [ 6.24486308e-03 -1.28182027e-02 1.12682587e-03] [-6.24486299e-03 1.28182026e-02 -1.12682591e-03] [ 6.24486309e-03 -1.28182027e-02 -1.12682588e-03] [ 3.83321420e-03 5.70420825e-03 -5.14805229e-03] [ 3.83321423e-03 5.70420826e-03 5.14805232e-03] [-3.83321417e-03 -5.70420824e-03 -5.14805226e-03] [-3.83321423e-03 -5.70420828e-03 5.14805232e-03] [-3.00712431e-02 -2.19464223e-02 2.90162117e-11] [ 1.20798069e-02 -1.97322182e-02 -2.11578555e-11] [-1.20798069e-02 1.97322182e-02 1.27687961e-11] [ 3.00712431e-02 2.19464222e-02 1.69810398e-11]] Final stress: [-6.46827596e-04 -1.83485432e-03 -1.39638389e-03 -2.98208265e-15 -2.32845271e-16 1.93192935e-04] Minimization converged after 65 steps. Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.31536061e-04 4.11224874e-14 -2.04133585e-15] [-5.31536061e-04 2.10109707e-14 -2.49245069e-14] [-1.16451987e-14 3.19460201e-03 3.20611593e-14] [-1.74582571e-14 -3.19460201e-03 6.57807142e-15] [ 3.01798517e-15 -5.61920302e-14 3.19460201e-03] [-2.15938378e-14 2.52575738e-15 -3.19460201e-03] [ 5.31536061e-04 1.11976400e-14 2.07000388e-15] [-5.31536061e-04 3.45240329e-14 8.13681694e-15] [-3.01581676e-15 3.19460201e-03 -2.78008136e-14] [ 3.57743349e-15 -3.19460201e-03 -1.04094146e-14] [ 6.17951870e-15 4.52667081e-15 3.19460201e-03] [ 3.26301486e-15 -1.29125211e-14 -3.19460201e-03] [ 1.43896769e-03 5.33185725e-05 5.33185724e-05] [-1.43896769e-03 -5.33185723e-05 5.33185723e-05] [-1.43896769e-03 5.33185724e-05 -5.33185724e-05] [ 1.43896769e-03 -5.33185723e-05 -5.33185723e-05] [ 1.43896769e-03 5.33185724e-05 -5.33185724e-05] [-1.43896769e-03 -5.33185724e-05 -5.33185723e-05] [ 1.43896769e-03 -5.33185723e-05 5.33185723e-05] [-1.43896769e-03 5.33185724e-05 5.33185724e-05] [ 1.43896769e-03 5.33185723e-05 5.33185723e-05] [-1.43896769e-03 -5.33185723e-05 5.33185723e-05] [-1.43896769e-03 5.33185724e-05 -5.33185724e-05] [ 1.43896769e-03 -5.33185723e-05 -5.33185724e-05] [ 1.43896769e-03 5.33185724e-05 -5.33185724e-05] [-1.43896769e-03 -5.33185724e-05 -5.33185724e-05] [ 1.43896769e-03 -5.33185723e-05 5.33185723e-05] [-1.43896769e-03 5.33185723e-05 5.33185723e-05] [ 1.14658283e-13 -4.70734562e-14 2.37337927e-13] [-2.55125782e-14 -2.21106471e-13 -8.19410114e-14] [-1.82076576e-14 -5.27561887e-04 -5.27561887e-04] [ 6.10570622e-14 5.27561887e-04 -5.27561887e-04] [ 2.31915182e-14 -5.27561887e-04 5.27561887e-04] [-4.25961350e-14 5.27561887e-04 5.27561887e-04] [ 8.05915788e-04 -8.37108161e-14 2.04261662e-04] [ 8.05915788e-04 -1.90923666e-13 -2.04261663e-04] [-8.05915788e-04 -2.11693510e-13 2.04261662e-04] [-8.05915787e-04 -2.35301362e-13 -2.04261663e-04] [ 8.05915788e-04 2.04261663e-04 -6.89448498e-14] [-8.05915788e-04 2.04261663e-04 1.22835769e-14] [ 8.05915787e-04 -2.04261663e-04 -5.03676961e-14] [-8.05915787e-04 -2.04261663e-04 -6.47763093e-14] [-7.15877010e-15 -5.27561887e-04 -5.27561887e-04] [ 1.27519523e-14 5.27561887e-04 -5.27561887e-04] [ 3.97754746e-14 -5.27561887e-04 5.27561887e-04] [ 4.00760154e-14 5.27561887e-04 5.27561887e-04] [ 8.05915788e-04 7.00383761e-14 2.04261663e-04] [ 8.05915788e-04 6.74228468e-14 -2.04261663e-04] [-8.05915787e-04 2.89959029e-15 2.04261663e-04] [-8.05915788e-04 8.25520208e-14 -2.04261663e-04] [ 8.05915787e-04 2.04261663e-04 2.85562531e-13] [-8.05915788e-04 2.04261663e-04 2.34425147e-13] [ 8.05915788e-04 -2.04261662e-04 7.64853201e-14] [-8.05915788e-04 -2.04261662e-04 7.35904393e-14]] Final stress: [ 3.26044588e-04 1.29401027e-04 1.29401027e-04 -4.65145095e-17 8.97065541e-17 -1.99347898e-17] Minimization converged after 38 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.90421352e-04 -3.55757090e-14 -1.40992686e-13] [-2.90421352e-04 -7.77156117e-14 -6.82509604e-14] [-2.40450021e-14 -5.09594465e-03 -4.21750308e-14] [ 1.10772502e-13 5.09594465e-03 -4.75730566e-14] [ 3.82003457e-14 -1.60422890e-14 -5.09594465e-03] [ 2.66453526e-15 3.47222251e-14 5.09594465e-03] [ 2.90421353e-04 6.79742720e-14 -3.96574029e-14] [-2.90421352e-04 1.18252196e-13 -4.76622555e-14] [ 9.26364020e-14 -5.09594465e-03 -4.18219479e-14] [ 3.34398308e-14 5.09594465e-03 -1.05694144e-13] [ 1.53991403e-14 -1.21445642e-13 -5.09594465e-03] [ 9.30887312e-14 1.08939633e-13 5.09594465e-03] [-2.79359306e-03 -4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 -4.53333854e-04 4.53333854e-04] [-2.79359306e-03 4.53333854e-04 4.53333854e-04] [-2.79359306e-03 -4.53333854e-04 4.53333854e-04] [ 2.79359306e-03 4.53333854e-04 4.53333854e-04] [-2.79359306e-03 4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 -4.53333854e-04 -4.53333854e-04] [-2.79359306e-03 -4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 -4.53333854e-04 4.53333854e-04] [-2.79359306e-03 4.53333854e-04 4.53333854e-04] [-2.79359306e-03 -4.53333854e-04 4.53333854e-04] [ 2.79359306e-03 4.53333854e-04 4.53333854e-04] [-2.79359306e-03 4.53333854e-04 -4.53333854e-04] [ 2.79359306e-03 -4.53333854e-04 -4.53333854e-04] [ 2.74918976e-13 -1.86045623e-13 2.05419015e-13] [-4.37875430e-13 -2.38111678e-13 1.40923548e-13] [-2.76556555e-13 5.81912752e-04 5.81912752e-04] [-1.24632943e-13 -5.81912752e-04 5.81912752e-04] [-7.73339726e-14 5.81912752e-04 -5.81912752e-04] [-2.78117807e-13 -5.81912752e-04 -5.81912752e-04] [-5.87938101e-04 -1.75748305e-13 -2.09828141e-03] [-5.87938101e-04 5.43818462e-14 2.09828141e-03] [ 5.87938100e-04 4.42493264e-14 -2.09828141e-03] [ 5.87938100e-04 -1.68268177e-15 2.09828141e-03] [-5.87938101e-04 -2.09828141e-03 -1.05471187e-14] [ 5.87938100e-04 -2.09828141e-03 1.24397020e-14] [-5.87938100e-04 2.09828141e-03 1.17279450e-13] [ 5.87938100e-04 2.09828141e-03 -8.88924351e-14] [ 2.83065672e-13 5.81912752e-04 5.81912752e-04] [ 2.73499105e-13 -5.81912752e-04 5.81912752e-04] [ 2.70707935e-14 5.81912752e-04 -5.81912752e-04] [ 3.64569052e-13 -5.81912752e-04 -5.81912752e-04] [-5.87938100e-04 -9.15000793e-15 -2.09828141e-03] [-5.87938100e-04 1.51591413e-13 2.09828141e-03] [ 5.87938101e-04 -2.28011186e-13 -2.09828141e-03] [ 5.87938101e-04 3.35612614e-14 2.09828141e-03] [-5.87938100e-04 -2.09828141e-03 2.37562919e-13] [ 5.87938101e-04 -2.09828141e-03 6.84128183e-15] [-5.87938100e-04 2.09828141e-03 -1.57586753e-15] [ 5.87938101e-04 2.09828141e-03 2.04187361e-13]] Final stress: [-3.61519764e-04 -7.53030941e-05 -7.53030941e-05 -3.49404340e-16 -5.32425660e-17 -1.31442585e-16] Minimization converged after 50 steps. Minimization converged after 50 steps. Minimization converged after 67 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-3.74706657e-02 2.60804833e-13 -1.10459068e-11] [ 3.74706658e-02 5.95573590e-12 2.89002156e-12] [-4.24064245e-12 -3.12153997e-02 -1.56798186e-02] [-6.34725605e-12 3.12153997e-02 1.56798186e-02] [ 1.69880117e-11 -2.28015328e-02 7.57999201e-03] [ 6.88479829e-12 2.28015328e-02 -7.57999203e-03] [-3.74706658e-02 1.27653903e-11 2.07860833e-11] [ 3.74706658e-02 -8.06950678e-13 2.71951610e-12] [-5.29738189e-12 -3.12153997e-02 -1.56798186e-02] [ 1.07917247e-11 3.12153997e-02 1.56798186e-02] [-1.18318623e-11 -2.28015328e-02 7.57999202e-03] [-1.10973997e-11 2.28015328e-02 -7.57999203e-03] [ 1.49271089e-02 1.29595629e-02 -2.28241924e-02] [ 5.42608871e-03 -1.40104817e-02 -3.56953600e-03] [ 5.42608870e-03 1.40104817e-02 3.56953600e-03] [ 1.49271089e-02 -1.29595629e-02 2.28241923e-02] [-5.42608871e-03 1.40104817e-02 3.56953602e-03] [-1.49271089e-02 -1.29595629e-02 2.28241923e-02] [-5.42608871e-03 -1.40104817e-02 -3.56953601e-03] [-1.49271089e-02 1.29595629e-02 -2.28241923e-02] [ 1.49271089e-02 1.29595629e-02 -2.28241923e-02] [ 5.42608869e-03 -1.40104817e-02 -3.56953602e-03] [ 5.42608870e-03 1.40104817e-02 3.56953603e-03] [ 1.49271089e-02 -1.29595629e-02 2.28241923e-02] [-5.42608870e-03 1.40104817e-02 3.56953600e-03] [-1.49271089e-02 -1.29595629e-02 2.28241924e-02] [-5.42608870e-03 -1.40104817e-02 -3.56953601e-03] [-1.49271089e-02 1.29595629e-02 -2.28241923e-02] [-8.68263794e-12 -1.08002218e-11 -8.71921979e-12] [ 1.63196097e-11 -8.83480797e-12 -6.26789207e-12] [-4.01985112e-11 -1.94404476e-02 -1.81687963e-02] [ 6.65394823e-13 1.34629452e-02 -2.45049700e-02] [-3.15423729e-12 -1.34629451e-02 2.45049700e-02] [ 3.48749240e-11 1.94404476e-02 1.81687964e-02] [-8.03472839e-04 -8.16125276e-04 4.17104936e-03] [-8.03472821e-04 8.16125309e-04 -4.17104939e-03] [ 8.03472817e-04 -8.16125293e-04 4.17104934e-03] [ 8.03472774e-04 8.16125263e-04 -4.17104929e-03] [-3.56023997e-03 5.77715729e-03 -2.28443957e-03] [ 3.56023999e-03 5.77715731e-03 -2.28443957e-03] [-3.56023998e-03 -5.77715732e-03 2.28443961e-03] [ 3.56023996e-03 -5.77715729e-03 2.28443961e-03] [ 3.82535579e-11 -1.94404475e-02 -1.81687965e-02] [-4.02048620e-13 1.34629450e-02 -2.45049701e-02] [ 2.14728300e-11 -1.34629451e-02 2.45049701e-02] [-2.08811072e-11 1.94404475e-02 1.81687965e-02] [-8.03472905e-04 -8.16125300e-04 4.17104947e-03] [-8.03472974e-04 8.16125280e-04 -4.17104953e-03] [ 8.03472916e-04 -8.16125280e-04 4.17104944e-03] [ 8.03472987e-04 8.16125292e-04 -4.17104948e-03] [-3.56023987e-03 5.77715721e-03 -2.28443963e-03] [ 3.56023987e-03 5.77715722e-03 -2.28443958e-03] [-3.56023983e-03 -5.77715718e-03 2.28443957e-03] [ 3.56023989e-03 -5.77715726e-03 2.28443961e-03]] Final stress: [-1.38371562e-03 -6.28920556e-04 -1.81505691e-03 -1.93225319e-04 -2.25859913e-14 -8.33253435e-16] Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 31 steps. Minimization converged after 32 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 8.02967101e-03 1.61928725e-02 1.30890090e-12] [-8.02967101e-03 -1.61928724e-02 -1.94327887e-12] [ 1.13608876e-02 -1.92908382e-02 8.98940709e-12] [-1.13608876e-02 1.92908382e-02 6.33326724e-12] [ 6.98462078e-12 1.42623001e-11 -2.43488798e-02] [ 2.89374080e-12 1.59897096e-12 2.43488798e-02] [ 8.02967103e-03 1.61928725e-02 1.35223450e-12] [-8.02967103e-03 -1.61928724e-02 4.19453515e-12] [ 1.13608876e-02 -1.92908382e-02 6.04148299e-13] [-1.13608876e-02 1.92908382e-02 -3.72698535e-12] [-5.37387799e-12 -3.72404878e-12 -2.43488798e-02] [-5.44109950e-13 -3.87805694e-12 2.43488798e-02] [-1.92808704e-03 8.90843138e-03 -4.98627302e-03] [ 1.92808705e-03 -8.90843138e-03 -4.98627301e-03] [ 1.44227562e-02 5.05620491e-03 -1.47137658e-02] [-1.44227562e-02 -5.05620493e-03 -1.47137658e-02] [-1.92808705e-03 8.90843140e-03 4.98627302e-03] [ 1.92808706e-03 -8.90843138e-03 4.98627301e-03] [-1.44227562e-02 -5.05620492e-03 1.47137658e-02] [ 1.44227562e-02 5.05620491e-03 1.47137658e-02] [-1.92808707e-03 8.90843138e-03 -4.98627301e-03] [ 1.92808705e-03 -8.90843139e-03 -4.98627301e-03] [ 1.44227562e-02 5.05620492e-03 -1.47137658e-02] [-1.44227562e-02 -5.05620491e-03 -1.47137658e-02] [-1.92808706e-03 8.90843139e-03 4.98627300e-03] [ 1.92808706e-03 -8.90843140e-03 4.98627301e-03] [-1.44227562e-02 -5.05620491e-03 1.47137658e-02] [ 1.44227562e-02 5.05620492e-03 1.47137658e-02] [ 3.77106679e-12 -1.00863762e-12 2.69698153e-12] [-5.53903928e-12 -5.55895687e-12 -7.27113323e-12] [-3.66194118e-03 3.15423001e-03 -2.10090807e-03] [ 3.66194116e-03 -3.15423000e-03 -2.10090806e-03] [-3.66194118e-03 3.15422997e-03 2.10090805e-03] [ 3.66194116e-03 -3.15422998e-03 2.10090804e-03] [ 7.95377154e-04 -4.05549863e-03 -2.71064467e-03] [ 7.95377163e-04 -4.05549863e-03 2.71064467e-03] [-7.95377175e-04 4.05549863e-03 -2.71064470e-03] [-7.95377165e-04 4.05549862e-03 2.71064469e-03] [-2.20906147e-02 -1.85171141e-02 -1.15178977e-11] [ 7.94581865e-03 -5.28329522e-03 -9.60310477e-12] [-7.94581866e-03 5.28329521e-03 -1.11278296e-11] [ 2.20906147e-02 1.85171141e-02 -4.17974517e-12] [-3.66194119e-03 3.15423085e-03 -2.10090891e-03] [ 3.66194120e-03 -3.15423083e-03 -2.10090890e-03] [-3.66194119e-03 3.15423083e-03 2.10090891e-03] [ 3.66194120e-03 -3.15423082e-03 2.10090891e-03] [ 7.95375938e-04 -4.05549860e-03 -2.71064347e-03] [ 7.95375989e-04 -4.05549860e-03 2.71064349e-03] [-7.95375934e-04 4.05549860e-03 -2.71064347e-03] [-7.95375987e-04 4.05549861e-03 2.71064349e-03] [-2.20906139e-02 -1.85171150e-02 4.28372417e-12] [ 7.94581785e-03 -5.28329603e-03 1.31917459e-12] [-7.94581784e-03 5.28329605e-03 1.76691743e-11] [ 2.20906139e-02 1.85171150e-02 5.77804167e-12]] Final stress: [-1.71519937e-03 -5.22407392e-04 -1.39287186e-03 4.67686359e-15 -9.87263950e-15 1.89393802e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 9.16299231e-03 -8.60865977e-03 -3.39099842e-12] [-9.16299231e-03 8.60865977e-03 6.89448498e-13] [-5.11517170e-03 -1.02978866e-02 1.22718435e-11] [ 5.11517170e-03 1.02978866e-02 -2.68926548e-12] [ 3.13302899e-12 -9.90546534e-12 -2.45462968e-02] [-3.08486570e-12 -7.32369720e-12 2.45462968e-02] [ 9.16299230e-03 -8.60865974e-03 9.23231000e-12] [-9.16299230e-03 8.60865975e-03 -4.47063366e-13] [-5.11517171e-03 -1.02978867e-02 -1.18043261e-11] [ 5.11517171e-03 1.02978866e-02 2.45168865e-12] [-5.29586401e-12 3.97157676e-12 -2.45462968e-02] [-6.72636847e-12 6.25694633e-12 2.45462968e-02] [-9.47070780e-03 7.69744146e-03 1.78579210e-02] [ 9.47070777e-03 -7.69744145e-03 1.78579210e-02] [ 6.71159505e-03 2.23038700e-03 6.12912307e-03] [-6.71159505e-03 -2.23038700e-03 6.12912307e-03] [-9.47070779e-03 7.69744146e-03 -1.78579210e-02] [ 9.47070780e-03 -7.69744149e-03 -1.78579210e-02] [-6.71159503e-03 -2.23038699e-03 -6.12912307e-03] [ 6.71159504e-03 2.23038698e-03 -6.12912308e-03] [-9.47070776e-03 7.69744146e-03 1.78579210e-02] [ 9.47070779e-03 -7.69744146e-03 1.78579210e-02] [ 6.71159505e-03 2.23038700e-03 6.12912307e-03] [-6.71159506e-03 -2.23038700e-03 6.12912307e-03] [-9.47070778e-03 7.69744147e-03 -1.78579210e-02] [ 9.47070777e-03 -7.69744145e-03 -1.78579210e-02] [-6.71159506e-03 -2.23038700e-03 -6.12912307e-03] [ 6.71159505e-03 2.23038699e-03 -6.12912306e-03] [ 2.14350759e-12 -2.98067127e-13 -3.57902596e-12] [ 3.34366259e-12 3.19697490e-11 6.22590387e-12] [ 6.57567726e-03 6.85466708e-03 -4.81180782e-03] [-6.57567729e-03 -6.85466705e-03 -4.81180779e-03] [ 6.57567727e-03 6.85466708e-03 4.81180783e-03] [-6.57567728e-03 -6.85466702e-03 4.81180775e-03] [-1.63556263e-03 2.01751792e-03 -2.58744974e-03] [-1.63556269e-03 2.01751791e-03 2.58744970e-03] [ 1.63556265e-03 -2.01751785e-03 -2.58744976e-03] [ 1.63556269e-03 -2.01751786e-03 2.58744973e-03] [-8.77432544e-03 -7.27076872e-03 -6.23667784e-12] [ 2.60409129e-02 -3.18287064e-03 -2.32754397e-11] [-2.60409129e-02 3.18287063e-03 7.07883578e-12] [ 8.77432539e-03 7.27076875e-03 -1.05537213e-11] [ 6.57567733e-03 6.85466638e-03 -4.81180709e-03] [-6.57567729e-03 -6.85466640e-03 -4.81180710e-03] [ 6.57567731e-03 6.85466640e-03 4.81180712e-03] [-6.57567732e-03 -6.85466642e-03 4.81180716e-03] [-1.63556171e-03 2.01751783e-03 -2.58745069e-03] [-1.63556168e-03 2.01751786e-03 2.58745070e-03] [ 1.63556174e-03 -2.01751790e-03 -2.58745066e-03] [ 1.63556171e-03 -2.01751787e-03 2.58745065e-03] [-8.77432607e-03 -7.27076808e-03 1.42303976e-11] [ 2.60409136e-02 -3.18287002e-03 1.81927982e-11] [-2.60409136e-02 3.18286999e-03 1.18493686e-11] [ 8.77432614e-03 7.27076802e-03 1.22767560e-11]] Final stress: [-1.69962826e-03 -4.99376792e-04 -1.37514713e-03 -1.73270145e-14 1.10984035e-14 -1.29394567e-04] Minimization converged after 25 steps. Minimization converged after 18 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-2.55169699e-02 7.04713067e-12 -6.50611986e-12] [ 2.55169699e-02 2.25958141e-13 -4.44666526e-12] [-2.31524435e-12 6.91468314e-03 1.60981639e-02] [-1.87017068e-12 -6.91468315e-03 -1.60981639e-02] [-4.72392763e-12 1.16046583e-02 -1.94080141e-02] [ 3.37241346e-12 -1.16046583e-02 1.94080141e-02] [-2.55169699e-02 -5.20508072e-12 1.14770550e-12] [ 2.55169699e-02 6.08454212e-12 9.45351385e-12] [-7.46618479e-13 6.91468314e-03 1.60981639e-02] [-2.98941942e-13 -6.91468314e-03 -1.60981639e-02] [-2.05064915e-12 1.16046583e-02 -1.94080141e-02] [ 5.16708377e-12 -1.16046583e-02 1.94080141e-02] [-4.65994403e-03 -9.90388074e-04 9.80037407e-03] [-1.59198238e-02 1.34430800e-02 5.76336343e-03] [-1.59198238e-02 -1.34430800e-02 -5.76336343e-03] [-4.65994403e-03 9.90388070e-04 -9.80037407e-03] [ 1.59198238e-02 -1.34430800e-02 -5.76336342e-03] [ 4.65994401e-03 9.90388065e-04 -9.80037408e-03] [ 1.59198238e-02 1.34430800e-02 5.76336342e-03] [ 4.65994402e-03 -9.90388075e-04 9.80037409e-03] [-4.65994402e-03 -9.90388065e-04 9.80037407e-03] [-1.59198238e-02 1.34430800e-02 5.76336341e-03] [-1.59198238e-02 -1.34430800e-02 -5.76336341e-03] [-4.65994403e-03 9.90388076e-04 -9.80037409e-03] [ 1.59198238e-02 -1.34430800e-02 -5.76336342e-03] [ 4.65994403e-03 9.90388083e-04 -9.80037408e-03] [ 1.59198238e-02 1.34430800e-02 5.76336343e-03] [ 4.65994401e-03 -9.90388072e-04 9.80037407e-03] [-1.36289036e-11 -8.22736324e-12 1.40931711e-12] [ 1.36633487e-11 1.55747154e-12 -3.84542038e-12] [ 5.43842749e-12 -2.17067843e-02 -2.02743697e-02] [ 9.79220177e-12 5.10242019e-03 -4.79405689e-03] [-2.69319116e-12 -5.10242017e-03 4.79405688e-03] [-3.43088191e-12 2.17067843e-02 2.02743698e-02] [-6.67943632e-04 -5.44939071e-03 2.65508206e-03] [-6.67943654e-04 5.44939070e-03 -2.65508207e-03] [ 6.67943624e-04 -5.44939070e-03 2.65508206e-03] [ 6.67943642e-04 5.44939072e-03 -2.65508208e-03] [-3.97754035e-03 8.26405859e-05 -5.68114966e-03] [ 3.97754033e-03 8.26405801e-05 -5.68114966e-03] [-3.97754028e-03 -8.26405671e-05 5.68114966e-03] [ 3.97754029e-03 -8.26405668e-05 5.68114965e-03] [-1.06763235e-11 -2.17067845e-02 -2.02743696e-02] [ 6.70300013e-12 5.10242032e-03 -4.79405675e-03] [-1.33830750e-11 -5.10242033e-03 4.79405675e-03] [ 1.45146915e-12 2.17067844e-02 2.02743697e-02] [-6.67943506e-04 -5.44939074e-03 2.65508193e-03] [-6.67943519e-04 5.44939073e-03 -2.65508194e-03] [ 6.67943513e-04 -5.44939073e-03 2.65508194e-03] [ 6.67943518e-04 5.44939073e-03 -2.65508194e-03] [-3.97754050e-03 8.26407552e-05 -5.68114962e-03] [ 3.97754050e-03 8.26407580e-05 -5.68114963e-03] [-3.97754048e-03 -8.26407543e-05 5.68114964e-03] [ 3.97754048e-03 -8.26407543e-05 5.68114963e-03]] Final stress: [-1.40121425e-03 -1.72437460e-03 -5.24388000e-04 1.89930539e-04 -1.20081633e-14 -3.00869354e-15] Minimization converged after 66 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 1.04003833e-02 -3.97881814e-12 3.10937797e-02] [-1.04003833e-02 -3.83193477e-12 -3.10937797e-02] [-8.47850739e-12 -3.67638977e-02 1.34726228e-11] [-5.08801334e-12 3.67638977e-02 -5.29731814e-12] [ 2.39882789e-02 1.01699349e-11 -3.17708347e-02] [-2.39882789e-02 3.97071265e-12 3.17708347e-02] [ 1.04003833e-02 1.02097684e-11 3.10937797e-02] [-1.04003833e-02 -5.28740869e-13 -3.10937797e-02] [ 1.50644111e-11 -3.67638977e-02 -7.14021970e-12] [-3.16188346e-13 3.67638977e-02 1.31172416e-12] [ 2.39882789e-02 7.55150536e-12 -3.17708347e-02] [-2.39882789e-02 2.16969422e-12 3.17708347e-02] [-6.77999194e-03 -5.27465185e-03 1.09358440e-02] [ 2.24584819e-02 -1.59534073e-02 1.21398126e-02] [ 6.77999195e-03 -5.27465188e-03 -1.09358440e-02] [-2.24584819e-02 -1.59534073e-02 -1.21398126e-02] [-2.24584819e-02 1.59534073e-02 -1.21398126e-02] [ 6.77999197e-03 5.27465188e-03 -1.09358440e-02] [-6.77999193e-03 5.27465185e-03 1.09358440e-02] [ 2.24584819e-02 1.59534073e-02 1.21398127e-02] [-6.77999195e-03 -5.27465187e-03 1.09358440e-02] [ 2.24584819e-02 -1.59534073e-02 1.21398126e-02] [ 6.77999196e-03 -5.27465188e-03 -1.09358440e-02] [-2.24584819e-02 -1.59534073e-02 -1.21398126e-02] [-2.24584819e-02 1.59534073e-02 -1.21398126e-02] [ 6.77999195e-03 5.27465187e-03 -1.09358440e-02] [-6.77999196e-03 5.27465186e-03 1.09358440e-02] [ 2.24584818e-02 1.59534073e-02 1.21398127e-02] [ 4.93563523e-12 7.66919861e-12 -3.64054897e-11] [-2.59955213e-11 -8.79654593e-12 -1.39073423e-11] [ 5.88572754e-03 -3.35351149e-03 3.96727397e-03] [ 5.88572753e-03 3.35351149e-03 3.96727399e-03] [-5.88572756e-03 -3.35351148e-03 -3.96727397e-03] [-5.88572758e-03 3.35351149e-03 -3.96727399e-03] [-2.55343334e-02 -5.08926234e-13 -2.45407130e-02] [-1.55436540e-02 3.49245372e-12 1.65186492e-02] [ 1.55436540e-02 1.21015645e-11 -1.65186492e-02] [ 2.55343334e-02 1.99978215e-11 2.45407130e-02] [ 9.15056094e-03 2.73772301e-04 -2.62578873e-04] [-9.15056095e-03 2.73772255e-04 2.62578886e-04] [ 9.15056090e-03 -2.73772297e-04 -2.62578880e-04] [-9.15056092e-03 -2.73772249e-04 2.62578895e-04] [ 5.88572756e-03 -3.35351057e-03 3.96727309e-03] [ 5.88572757e-03 3.35351057e-03 3.96727307e-03] [-5.88572756e-03 -3.35351057e-03 -3.96727307e-03] [-5.88572754e-03 3.35351056e-03 -3.96727306e-03] [-2.55343343e-02 8.45988847e-12 -2.45407121e-02] [-1.55436549e-02 1.94370933e-11 1.65186483e-02] [ 1.55436549e-02 1.70354772e-11 -1.65186483e-02] [ 2.55343344e-02 2.13991195e-12 2.45407121e-02] [ 9.15056226e-03 2.73770941e-04 -2.62578871e-04] [-9.15056225e-03 2.73771028e-04 2.62578904e-04] [ 9.15056221e-03 -2.73770956e-04 -2.62578886e-04] [-9.15056222e-03 -2.73771031e-04 2.62578895e-04]] Final stress: [-1.83305477e-03 -1.38928619e-03 -6.20669196e-04 1.01803279e-14 2.33973871e-04 1.43798587e-14] Minimization converged after 64 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 25 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.03577211e-02 8.99788057e-14 -1.48504039e-13] [-1.03577211e-02 -1.16462395e-13 -4.44089210e-14] [ 1.18925703e-13 1.03577211e-02 -7.63633948e-14] [ 1.60704783e-14 -1.03577211e-02 -6.43929354e-14] [ 1.01750205e-14 -5.05073414e-14 3.31865111e-03] [-8.82627305e-15 -1.00641717e-13 -3.31865111e-03] [ 1.03577211e-02 3.02114670e-13 1.00163470e-13] [-1.03577211e-02 3.81345563e-13 -1.17646962e-13] [ 6.33052638e-14 1.03577211e-02 3.55880962e-14] [-1.14656114e-13 -1.03577211e-02 -1.11277672e-13] [-1.50304682e-13 2.91700202e-14 3.31865111e-03] [-7.24247051e-15 2.12634538e-13 -3.31865111e-03] [ 6.43248593e-04 6.43248593e-04 4.17025430e-03] [-6.43248593e-04 -6.43248593e-04 4.17025430e-03] [-6.43248592e-04 6.43248593e-04 -4.17025430e-03] [ 6.43248593e-04 -6.43248593e-04 -4.17025430e-03] [ 6.43248593e-04 6.43248593e-04 -4.17025430e-03] [-6.43248593e-04 -6.43248593e-04 -4.17025430e-03] [ 6.43248593e-04 -6.43248593e-04 4.17025430e-03] [-6.43248593e-04 6.43248593e-04 4.17025430e-03] [ 6.43248592e-04 6.43248592e-04 4.17025430e-03] [-6.43248593e-04 -6.43248593e-04 4.17025430e-03] [-6.43248593e-04 6.43248593e-04 -4.17025430e-03] [ 6.43248592e-04 -6.43248593e-04 -4.17025430e-03] [ 6.43248592e-04 6.43248593e-04 -4.17025430e-03] [-6.43248593e-04 -6.43248593e-04 -4.17025430e-03] [ 6.43248592e-04 -6.43248592e-04 4.17025430e-03] [-6.43248593e-04 6.43248593e-04 4.17025430e-03] [ 1.39438461e-12 7.25364213e-13 8.32556246e-13] [-6.88256310e-13 3.67031570e-13 1.95652774e-14] [-1.24789068e-13 1.17239869e-03 1.22804236e-03] [-2.76098588e-14 -1.17239869e-03 1.22804236e-03] [ 2.61081087e-13 1.17239869e-03 -1.22804236e-03] [ 6.64881344e-13 -1.17239869e-03 -1.22804236e-03] [ 1.17239869e-03 -6.35380637e-13 1.22804236e-03] [ 1.17239869e-03 -2.18013108e-13 -1.22804236e-03] [-1.17239869e-03 -2.76913908e-13 1.22804236e-03] [-1.17239869e-03 3.26592919e-13 -1.22804236e-03] [-3.44211996e-04 -3.44211994e-04 8.97948382e-13] [ 3.44211996e-04 -3.44211995e-04 1.23966809e-13] [-3.44211995e-04 3.44211994e-04 -5.39464307e-14] [ 3.44211994e-04 3.44211995e-04 -6.66949135e-14] [-9.03942719e-14 1.17239869e-03 1.22804236e-03] [ 2.88181371e-13 -1.17239869e-03 1.22804236e-03] [ 1.67347473e-13 1.17239869e-03 -1.22804236e-03] [ 4.49890559e-13 -1.17239869e-03 -1.22804236e-03] [ 1.17239869e-03 -9.17178372e-13 1.22804236e-03] [ 1.17239869e-03 -2.28461564e-13 -1.22804236e-03] [-1.17239869e-03 2.23201232e-13 1.22804236e-03] [-1.17239869e-03 -1.00622635e-14 -1.22804236e-03] [-3.44211994e-04 -3.44211996e-04 8.16323827e-13] [ 3.44211994e-04 -3.44211997e-04 7.56359598e-13] [-3.44211994e-04 3.44211996e-04 7.01451274e-13] [ 3.44211993e-04 3.44211997e-04 4.31605272e-13]] Final stress: [-4.07436530e-05 -4.07436530e-05 3.39682790e-04 2.16023482e-17 6.48070445e-17 1.79465662e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 4.20625558e-03 -3.17493427e-14 -4.43256543e-14] [-4.20625558e-03 1.29340982e-14 -8.22120150e-14] [ 1.34347828e-13 -4.21792753e-03 7.66314096e-15] [ 1.18377530e-13 4.21792753e-03 3.83026943e-14] [ 1.33165614e-13 2.56626317e-14 3.05685662e-05] [ 7.97972799e-14 -2.55351296e-15 -3.05685662e-05] [ 4.20625558e-03 -4.53010025e-14 -2.90504116e-14] [-4.20625558e-03 -2.03764956e-14 9.35510841e-15] [ 2.73427114e-14 -4.21792753e-03 -3.60288545e-15] [ 1.06512021e-15 4.21792753e-03 1.50903833e-14] [ 6.06112383e-15 1.62503207e-14 3.05685663e-05] [-2.14403148e-14 -3.69738061e-14 -3.05685662e-05] [ 2.50451627e-04 -2.79333756e-04 -8.30641689e-06] [-2.50451627e-04 2.79333756e-04 -8.30641699e-06] [-2.50451627e-04 -2.79333756e-04 8.30641684e-06] [ 2.50451627e-04 2.79333756e-04 8.30641668e-06] [ 2.50451627e-04 -2.79333756e-04 8.30641673e-06] [-2.50451627e-04 2.79333756e-04 8.30641681e-06] [ 2.50451627e-04 2.79333756e-04 -8.30641689e-06] [-2.50451627e-04 -2.79333756e-04 -8.30641695e-06] [ 2.50451627e-04 -2.79333756e-04 -8.30641682e-06] [-2.50451627e-04 2.79333756e-04 -8.30641683e-06] [-2.50451627e-04 -2.79333756e-04 8.30641682e-06] [ 2.50451627e-04 2.79333756e-04 8.30641682e-06] [ 2.50451626e-04 -2.79333756e-04 8.30641687e-06] [-2.50451627e-04 2.79333756e-04 8.30641683e-06] [ 2.50451627e-04 2.79333756e-04 -8.30641682e-06] [-2.50451627e-04 -2.79333756e-04 -8.30641685e-06] [ 2.52159404e-13 -1.10494947e-13 -3.08086889e-15] [-2.31425122e-14 1.60566785e-14 3.55866485e-14] [-6.79456491e-14 4.93754657e-05 2.73264422e-04] [-5.09314813e-14 -4.93754656e-05 2.73264422e-04] [-2.02043243e-14 4.93754657e-05 -2.73264422e-04] [ 4.27921587e-14 -4.93754656e-05 -2.73264422e-04] [-2.93331017e-05 -9.83657600e-14 -2.72198170e-04] [-2.93331017e-05 1.59542518e-14 2.72198170e-04] [ 2.93331019e-05 -9.63135821e-14 -2.72198170e-04] [ 2.93331019e-05 -5.06053532e-14 2.72198170e-04] [ 2.23304968e-04 -2.43111932e-04 1.57540647e-13] [-2.23304968e-04 -2.43111933e-04 2.62255495e-14] [ 2.23304968e-04 2.43111933e-04 6.27258662e-14] [-2.23304968e-04 2.43111933e-04 -3.81101400e-14] [-9.95479740e-14 4.93754657e-05 2.73264422e-04] [-2.26528865e-14 -4.93754659e-05 2.73264422e-04] [-7.47162748e-14 4.93754657e-05 -2.73264422e-04] [-4.95484730e-14 -4.93754656e-05 -2.73264422e-04] [-2.93331019e-05 2.62074494e-14 -2.72198170e-04] [-2.93331019e-05 3.46990232e-14 2.72198170e-04] [ 2.93331019e-05 -4.98052120e-14 -2.72198170e-04] [ 2.93331021e-05 2.43039096e-14 2.72198170e-04] [ 2.23304968e-04 -2.43111933e-04 1.95851301e-14] [-2.23304968e-04 -2.43111933e-04 1.89777393e-15] [ 2.23304968e-04 2.43111933e-04 8.46979754e-15] [-2.23304968e-04 2.43111933e-04 -4.28923390e-14]] Final stress: [-9.54984715e-05 9.62170369e-05 -1.36290767e-07 -3.49131442e-17 2.04491273e-16 5.48635123e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-4.21792753e-03 2.11766368e-15 4.91191289e-14] [ 4.21792753e-03 6.84452495e-14 6.33382236e-14] [ 4.92657130e-14 4.20625558e-03 2.61535585e-14] [ 3.18911564e-14 -4.20625558e-03 3.84137167e-14] [ 4.93238263e-14 3.98136385e-14 3.05685662e-05] [ 3.20299343e-14 3.46112028e-14 -3.05685662e-05] [-4.21792753e-03 -9.79685083e-15 -9.62584536e-15] [ 4.21792753e-03 3.85043560e-14 1.04531110e-15] [ 3.27836716e-14 4.20625558e-03 -3.46814141e-14] [ 4.73796349e-15 -4.20625558e-03 -4.86358517e-14] [-3.77237304e-14 5.60599377e-14 3.05685663e-05] [-1.71499100e-14 2.03492638e-14 -3.05685661e-05] [-2.79333756e-04 2.50451627e-04 -8.30641688e-06] [ 2.79333756e-04 -2.50451627e-04 -8.30641689e-06] [ 2.79333756e-04 2.50451627e-04 8.30641682e-06] [-2.79333756e-04 -2.50451627e-04 8.30641684e-06] [-2.79333756e-04 2.50451627e-04 8.30641678e-06] [ 2.79333756e-04 -2.50451627e-04 8.30641679e-06] [-2.79333756e-04 -2.50451627e-04 -8.30641696e-06] [ 2.79333756e-04 2.50451627e-04 -8.30641689e-06] [-2.79333756e-04 2.50451627e-04 -8.30641682e-06] [ 2.79333756e-04 -2.50451627e-04 -8.30641685e-06] [ 2.79333756e-04 2.50451627e-04 8.30641686e-06] [-2.79333756e-04 -2.50451627e-04 8.30641682e-06] [-2.79333756e-04 2.50451627e-04 8.30641685e-06] [ 2.79333756e-04 -2.50451627e-04 8.30641686e-06] [-2.79333756e-04 -2.50451627e-04 -8.30641679e-06] [ 2.79333756e-04 2.50451627e-04 -8.30641684e-06] [ 8.84015083e-14 4.87387908e-14 2.78665979e-14] [ 8.30416465e-14 3.29381380e-14 -6.57289751e-15] [ 3.55271368e-14 -2.93331019e-05 -2.72198170e-04] [ 5.42170475e-14 2.93331020e-05 -2.72198170e-04] [-1.38639100e-14 -2.93331019e-05 2.72198170e-04] [-6.96318003e-15 2.93331021e-05 2.72198170e-04] [ 4.93754656e-05 -2.10942375e-14 2.73264422e-04] [ 4.93754658e-05 -1.90038957e-14 -2.73264422e-04] [-4.93754658e-05 -9.36143524e-14 2.73264422e-04] [-4.93754659e-05 -4.77222428e-14 -2.73264422e-04] [-2.43111932e-04 2.23304968e-04 -5.32907052e-15] [ 2.43111932e-04 2.23304968e-04 5.54938040e-15] [-2.43111932e-04 -2.23304967e-04 -2.83661983e-14] [ 2.43111932e-04 -2.23304967e-04 3.22866733e-14] [ 1.53627978e-13 -2.93331021e-05 -2.72198170e-04] [ 3.63693450e-14 2.93331021e-05 -2.72198170e-04] [ 1.82248747e-13 -2.93331022e-05 2.72198170e-04] [-7.34438552e-15 2.93331024e-05 2.72198170e-04] [ 4.93754659e-05 -5.77629288e-14 2.73264422e-04] [ 4.93754659e-05 -3.29940068e-14 -2.73264422e-04] [-4.93754658e-05 -7.34594677e-14 2.73264422e-04] [-4.93754660e-05 -3.96822332e-14 -2.73264422e-04] [-2.43111932e-04 2.23304967e-04 1.25408560e-14] [ 2.43111932e-04 2.23304968e-04 -8.39935828e-15] [-2.43111932e-04 -2.23304967e-04 -2.38216429e-14] [ 2.43111932e-04 -2.23304968e-04 -3.56446643e-14]] Final stress: [ 9.62170369e-05 -9.54984715e-05 -1.36290768e-07 4.48883282e-17 -4.65508589e-17 -4.65508589e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.59296756e-03 1.13792656e-13 1.08834382e-13] [ 9.59296756e-03 1.18349774e-13 1.27259314e-13] [ 1.01831737e-13 -9.59296756e-03 1.45832131e-13] [ 5.02653474e-14 9.59296756e-03 1.08413278e-13] [-4.47415542e-14 -1.18831160e-13 2.80962846e-04] [-3.66373598e-15 7.67164110e-14 -2.80962847e-04] [-9.59296756e-03 1.20466137e-13 -5.38170566e-14] [ 9.59296756e-03 7.52536054e-14 -1.01036393e-13] [-2.52531936e-13 -9.59296756e-03 4.07784627e-14] [-2.19971177e-13 9.59296756e-03 -1.53676960e-13] [-1.23989794e-13 1.41095080e-13 2.80962847e-04] [ 1.33407174e-13 1.50712993e-13 -2.80962847e-04] [-8.71359168e-04 -8.71359168e-04 -4.75936506e-03] [ 8.71359168e-04 8.71359168e-04 -4.75936506e-03] [ 8.71359169e-04 -8.71359168e-04 4.75936506e-03] [-8.71359168e-04 8.71359168e-04 4.75936506e-03] [-8.71359168e-04 -8.71359168e-04 4.75936506e-03] [ 8.71359169e-04 8.71359168e-04 4.75936506e-03] [-8.71359168e-04 8.71359168e-04 -4.75936506e-03] [ 8.71359168e-04 -8.71359168e-04 -4.75936506e-03] [-8.71359168e-04 -8.71359168e-04 -4.75936506e-03] [ 8.71359168e-04 8.71359168e-04 -4.75936506e-03] [ 8.71359168e-04 -8.71359168e-04 4.75936506e-03] [-8.71359168e-04 8.71359168e-04 4.75936506e-03] [-8.71359168e-04 -8.71359168e-04 4.75936506e-03] [ 8.71359168e-04 8.71359168e-04 4.75936506e-03] [-8.71359168e-04 8.71359168e-04 -4.75936506e-03] [ 8.71359168e-04 -8.71359168e-04 -4.75936506e-03] [ 3.24990035e-13 -5.16864329e-13 1.19684818e-12] [-4.24680690e-13 -3.74286937e-13 -8.00687238e-13] [ 1.63202785e-14 -3.06392343e-03 -8.59566359e-04] [ 2.08878054e-14 3.06392342e-03 -8.59566360e-04] [ 3.36642172e-13 -3.06392343e-03 8.59566358e-04] [ 1.88873223e-13 3.06392343e-03 8.59566357e-04] [-3.06392342e-03 -2.61235478e-13 -8.59566360e-04] [-3.06392343e-03 2.97383645e-14 8.59566359e-04] [ 3.06392342e-03 -2.50986731e-13 -8.59566360e-04] [ 3.06392343e-03 -6.19712615e-14 8.59566358e-04] [ 1.47687199e-03 1.47687199e-03 1.26565425e-14] [-1.47687199e-03 1.47687199e-03 -2.38448150e-13] [ 1.47687199e-03 -1.47687199e-03 3.58794591e-13] [-1.47687199e-03 -1.47687199e-03 -5.73105799e-13] [-3.66959501e-13 -3.06392343e-03 -8.59566358e-04] [-6.46096024e-13 3.06392343e-03 -8.59566359e-04] [-1.12144235e-13 -3.06392343e-03 8.59566359e-04] [-2.60179898e-13 3.06392343e-03 8.59566359e-04] [-3.06392343e-03 -7.33750332e-13 -8.59566358e-04] [-3.06392343e-03 -6.88002173e-14 8.59566359e-04] [ 3.06392343e-03 -7.76493019e-13 -8.59566359e-04] [ 3.06392343e-03 1.82808196e-13 8.59566359e-04] [ 1.47687199e-03 1.47687199e-03 2.10357640e-12] [-1.47687199e-03 1.47687199e-03 1.49440659e-12] [ 1.47687199e-03 -1.47687199e-03 9.80117958e-13] [-1.47687199e-03 -1.47687199e-03 8.71105705e-13]] Final stress: [ 5.80183249e-05 5.80183249e-05 -3.38450525e-04 5.82169929e-17 -2.74451538e-16 1.49700839e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.03577209e-02 1.74773390e-15 -1.13859009e-13] [-1.03577209e-02 1.18516308e-13 -6.89448498e-14] [-8.08454866e-14 3.31865106e-03 -1.19048001e-13] [-1.97536432e-13 -3.31865106e-03 -1.37834189e-13] [ 1.26295675e-13 9.20808568e-14 1.03577209e-02] [-1.76386683e-13 4.07729406e-14 -1.03577209e-02] [ 1.03577209e-02 2.19007104e-13 3.20040316e-14] [-1.03577209e-02 1.43765208e-15 8.63671110e-14] [-8.59277927e-14 3.31865106e-03 1.80203508e-13] [ 1.23606420e-13 -3.31865106e-03 1.98030056e-13] [ 9.32166670e-14 6.15904029e-14 1.03577209e-02] [ 1.33587585e-13 1.34088439e-13 -1.03577209e-02] [ 6.43248578e-04 4.17025424e-03 6.43248578e-04] [-6.43248579e-04 -4.17025424e-03 6.43248579e-04] [-6.43248579e-04 4.17025424e-03 -6.43248579e-04] [ 6.43248579e-04 -4.17025424e-03 -6.43248579e-04] [ 6.43248579e-04 4.17025424e-03 -6.43248579e-04] [-6.43248579e-04 -4.17025424e-03 -6.43248579e-04] [ 6.43248579e-04 -4.17025424e-03 6.43248579e-04] [-6.43248579e-04 4.17025424e-03 6.43248578e-04] [ 6.43248579e-04 4.17025424e-03 6.43248579e-04] [-6.43248579e-04 -4.17025424e-03 6.43248579e-04] [-6.43248579e-04 4.17025424e-03 -6.43248579e-04] [ 6.43248578e-04 -4.17025424e-03 -6.43248579e-04] [ 6.43248579e-04 4.17025424e-03 -6.43248579e-04] [-6.43248579e-04 -4.17025424e-03 -6.43248579e-04] [ 6.43248579e-04 -4.17025424e-03 6.43248579e-04] [-6.43248579e-04 4.17025424e-03 6.43248579e-04] [ 1.48991930e-13 -4.29989377e-13 -6.39238662e-13] [ 8.53895947e-14 5.26572866e-13 6.17865591e-13] [-6.12510043e-13 1.22804236e-03 1.17239864e-03] [-3.16649484e-13 -1.22804236e-03 1.17239864e-03] [-1.15689749e-12 1.22804236e-03 -1.17239864e-03] [ 8.69200545e-14 -1.22804236e-03 -1.17239864e-03] [-3.44212018e-04 -3.16524584e-13 -3.44212019e-04] [-3.44212018e-04 2.18486687e-13 3.44212018e-04] [ 3.44212018e-04 -6.12010442e-13 -3.44212020e-04] [ 3.44212017e-04 -1.08387258e-13 3.44212020e-04] [ 1.17239864e-03 1.22804236e-03 9.00279851e-13] [-1.17239864e-03 1.22804236e-03 2.44275086e-13] [ 1.17239864e-03 -1.22804236e-03 3.69782330e-13] [-1.17239864e-03 -1.22804236e-03 7.90477059e-13] [ 8.95930032e-13 1.22804236e-03 1.17239864e-03] [ 9.71352773e-13 -1.22804236e-03 1.17239864e-03] [ 6.19448937e-13 1.22804236e-03 -1.17239864e-03] [ 4.51574542e-13 -1.22804236e-03 -1.17239864e-03] [-3.44212019e-04 -1.38233485e-12 -3.44212018e-04] [-3.44212021e-04 -1.41007865e-13 3.44212016e-04] [ 3.44212020e-04 -4.21017821e-13 -3.44212016e-04] [ 3.44212022e-04 -3.01209144e-13 3.44212015e-04] [ 1.17239864e-03 1.22804236e-03 -5.21297955e-13] [-1.17239864e-03 1.22804236e-03 3.06689133e-13] [ 1.17239864e-03 -1.22804236e-03 -1.98418620e-13] [-1.17239864e-03 -1.22804236e-03 -1.31738370e-13]] Final stress: [-4.07436507e-05 3.39682788e-04 -4.07436507e-05 3.98812582e-17 7.81007972e-17 -1.66171909e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 4.20625558e-03 -2.56361772e-14 7.98597299e-14] [-4.20625558e-03 -2.35922393e-14 5.47617507e-14] [ 3.86951755e-14 3.05685661e-05 -3.29337252e-15] [ 4.26325641e-14 -3.05685662e-05 8.14071033e-14] [ 7.53277649e-14 -5.44841949e-14 -4.21792753e-03] [ 2.53130850e-14 -1.61537450e-14 4.21792753e-03] [ 4.20625558e-03 3.34454686e-15 1.38237793e-14] [-4.20625558e-03 1.10128920e-14 -1.06064258e-15] [-9.38485401e-16 3.05685663e-05 2.33118052e-14] [ 1.44086132e-14 -3.05685662e-05 -4.75958728e-15] [-1.67838833e-14 -1.25289051e-14 -4.21792753e-03] [ 2.06072139e-14 -2.85444241e-15 4.21792753e-03] [ 2.50451627e-04 -8.30641685e-06 -2.79333756e-04] [-2.50451627e-04 8.30641671e-06 -2.79333756e-04] [-2.50451627e-04 -8.30641687e-06 2.79333756e-04] [ 2.50451627e-04 8.30641675e-06 2.79333756e-04] [ 2.50451627e-04 -8.30641686e-06 2.79333756e-04] [-2.50451627e-04 8.30641682e-06 2.79333756e-04] [ 2.50451627e-04 8.30641672e-06 -2.79333756e-04] [-2.50451627e-04 -8.30641690e-06 -2.79333756e-04] [ 2.50451627e-04 -8.30641685e-06 -2.79333756e-04] [-2.50451627e-04 8.30641686e-06 -2.79333756e-04] [-2.50451627e-04 -8.30641685e-06 2.79333756e-04] [ 2.50451627e-04 8.30641684e-06 2.79333756e-04] [ 2.50451627e-04 -8.30641684e-06 2.79333756e-04] [-2.50451627e-04 8.30641686e-06 2.79333756e-04] [ 2.50451627e-04 8.30641688e-06 -2.79333756e-04] [-2.50451627e-04 -8.30641682e-06 -2.79333756e-04] [ 8.89011087e-14 -4.74620343e-14 1.28425048e-13] [-3.17788330e-14 7.80956913e-15 8.02772564e-14] [ 4.66293670e-15 2.73264422e-04 4.93754658e-05] [-1.54563862e-14 -2.73264422e-04 4.93754659e-05] [ 6.66983829e-14 2.73264422e-04 -4.93754657e-05] [ 1.26461341e-14 -2.73264422e-04 -4.93754657e-05] [ 2.23304968e-04 -1.78412840e-13 -2.43111933e-04] [ 2.23304968e-04 -7.01071146e-14 2.43111933e-04] [-2.23304968e-04 -7.33909461e-14 -2.43111933e-04] [-2.23304968e-04 -7.95717658e-14 2.43111933e-04] [-2.93331019e-05 -2.72198170e-04 -1.36557432e-14] [ 2.93331020e-05 -2.72198170e-04 -1.72917236e-14] [-2.93331019e-05 2.72198170e-04 8.08207667e-14] [ 2.93331020e-05 2.72198170e-04 1.15549931e-14] [-5.69813294e-14 2.73264422e-04 4.93754657e-05] [-1.54954174e-15 -2.73264422e-04 4.93754657e-05] [-6.97922622e-14 2.73264422e-04 -4.93754657e-05] [-8.30030489e-14 -2.73264422e-04 -4.93754657e-05] [ 2.23304968e-04 -1.40837904e-14 -2.43111933e-04] [ 2.23304968e-04 -4.13176438e-14 2.43111933e-04] [-2.23304968e-04 -1.90138703e-14 -2.43111933e-04] [-2.23304968e-04 -3.99099157e-14 2.43111933e-04] [-2.93331019e-05 -2.72198170e-04 2.23276916e-14] [ 2.93331019e-05 -2.72198170e-04 4.67547584e-14] [-2.93331019e-05 2.72198170e-04 -1.37842686e-14] [ 2.93331018e-05 2.72198170e-04 2.05771164e-13]] Final stress: [-9.54984715e-05 -1.36290767e-07 9.62170369e-05 -2.61017316e-16 6.65012270e-17 -4.15632669e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-4.21792753e-03 -3.83078985e-14 8.13190661e-14] [ 4.21792753e-03 -5.14865928e-14 7.71605002e-14] [ 3.67462137e-14 3.05685662e-05 6.27371419e-14] [ 3.98014954e-14 -3.05685662e-05 6.35325126e-14] [ 9.43533446e-14 1.53601090e-14 4.20625558e-03] [ 9.23705556e-14 2.80331314e-15 -4.20625558e-03] [-4.21792753e-03 -1.62795125e-14 -3.89043900e-14] [ 4.21792753e-03 -9.72529349e-15 -4.33232796e-14] [-1.05939563e-14 3.05685661e-05 -5.17504059e-14] [ 8.19656842e-16 -3.05685662e-05 -3.86004455e-14] [ 1.80628082e-14 8.22213902e-16 4.20625558e-03] [ 2.69593375e-14 2.24846634e-14 -4.20625558e-03] [-2.79333756e-04 -8.30641686e-06 2.50451627e-04] [ 2.79333756e-04 8.30641680e-06 2.50451627e-04] [ 2.79333756e-04 -8.30641699e-06 -2.50451627e-04] [-2.79333756e-04 8.30641679e-06 -2.50451627e-04] [-2.79333756e-04 -8.30641688e-06 -2.50451627e-04] [ 2.79333756e-04 8.30641686e-06 -2.50451627e-04] [-2.79333756e-04 8.30641673e-06 2.50451627e-04] [ 2.79333756e-04 -8.30641691e-06 2.50451627e-04] [-2.79333756e-04 -8.30641683e-06 2.50451627e-04] [ 2.79333756e-04 8.30641690e-06 2.50451627e-04] [ 2.79333756e-04 -8.30641686e-06 -2.50451627e-04] [-2.79333756e-04 8.30641685e-06 -2.50451627e-04] [-2.79333756e-04 -8.30641683e-06 -2.50451627e-04] [ 2.79333756e-04 8.30641687e-06 -2.50451627e-04] [-2.79333756e-04 8.30641688e-06 2.50451627e-04] [ 2.79333756e-04 -8.30641686e-06 2.50451627e-04] [ 1.65367720e-13 -3.76088050e-14 1.52239332e-13] [ 9.78652923e-14 9.57468909e-14 -8.60024618e-14] [-2.93098879e-14 -2.72198170e-04 -2.93331019e-05] [ 3.69947128e-14 2.72198170e-04 -2.93331019e-05] [-2.63521843e-14 -2.72198170e-04 2.93331021e-05] [ 2.36304032e-14 2.72198170e-04 2.93331020e-05] [-2.43111932e-04 -1.33226763e-15 2.23304968e-04] [-2.43111933e-04 -2.48065457e-14 -2.23304968e-04] [ 2.43111932e-04 -6.64347050e-14 2.23304967e-04] [ 2.43111932e-04 -8.64586180e-14 -2.23304967e-04] [ 4.93754658e-05 2.73264422e-04 -2.10942375e-15] [-4.93754658e-05 2.73264422e-04 -3.89965837e-15] [ 4.93754658e-05 -2.73264422e-04 2.09589290e-14] [-4.93754658e-05 -2.73264422e-04 1.54095486e-14] [ 1.71164298e-13 -2.72198170e-04 -2.93331020e-05] [ 1.50740965e-13 2.72198170e-04 -2.93331019e-05] [ 1.73866130e-13 -2.72198170e-04 2.93331020e-05] [ 1.41719535e-13 2.72198170e-04 2.93331020e-05] [-2.43111932e-04 -3.37491431e-14 2.23304968e-04] [-2.43111932e-04 -2.32060465e-14 -2.23304968e-04] [ 2.43111932e-04 -2.80916783e-14 2.23304968e-04] [ 2.43111933e-04 -4.39752401e-16 -2.23304968e-04] [ 4.93754659e-05 2.73264422e-04 3.95374903e-14] [-4.93754659e-05 2.73264422e-04 4.50884074e-14] [ 4.93754659e-05 -2.73264422e-04 -2.89220416e-15] [-4.93754657e-05 -2.73264422e-04 6.47442169e-15]] Final stress: [ 9.62170369e-05 -1.36290768e-07 -9.54984715e-05 -1.99503681e-17 -1.16377147e-17 -1.16377147e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.52109531e-03 3.12598038e-13 1.10587754e-13] [ 9.52109531e-03 1.08663079e-13 8.06299472e-14] [ 1.55298083e-13 2.81431277e-04 1.94371862e-13] [-3.56659147e-14 -2.81431276e-04 -1.21042065e-13] [-1.82911845e-13 -1.34266730e-13 -9.52109531e-03] [-9.62563362e-14 2.30093722e-13 9.52109531e-03] [-9.52109531e-03 1.19943552e-13 -9.89612488e-14] [ 9.52109531e-03 5.12250832e-14 -2.02902343e-13] [-2.75145792e-13 2.81431277e-04 -1.66432668e-13] [ 1.63466896e-13 -2.81431277e-04 -7.02856132e-14] [-1.46147851e-13 6.27781148e-14 -9.52109531e-03] [-2.64701455e-14 5.91077183e-14 9.52109531e-03] [-8.71164259e-04 -4.73470248e-03 -8.71164259e-04] [ 8.71164259e-04 4.73470248e-03 -8.71164259e-04] [ 8.71164259e-04 -4.73470248e-03 8.71164259e-04] [-8.71164258e-04 4.73470248e-03 8.71164259e-04] [-8.71164259e-04 -4.73470248e-03 8.71164259e-04] [ 8.71164259e-04 4.73470248e-03 8.71164259e-04] [-8.71164259e-04 4.73470248e-03 -8.71164258e-04] [ 8.71164259e-04 -4.73470248e-03 -8.71164259e-04] [-8.71164259e-04 -4.73470248e-03 -8.71164259e-04] [ 8.71164259e-04 4.73470248e-03 -8.71164259e-04] [ 8.71164259e-04 -4.73470248e-03 8.71164258e-04] [-8.71164259e-04 4.73470248e-03 8.71164259e-04] [-8.71164258e-04 -4.73470248e-03 8.71164258e-04] [ 8.71164259e-04 4.73470248e-03 8.71164258e-04] [-8.71164259e-04 4.73470248e-03 -8.71164259e-04] [ 8.71164258e-04 -4.73470248e-03 -8.71164258e-04] [ 4.29850600e-13 -9.82103288e-13 9.54819557e-13] [-7.37628274e-13 7.57106441e-14 -1.47984287e-13] [ 1.15907284e-13 -9.11731323e-04 -3.03458910e-03] [ 2.02490802e-13 9.11731323e-04 -3.03458910e-03] [ 3.42599213e-13 -9.11731324e-04 3.03458910e-03] [ 2.94349614e-13 9.11731325e-04 3.03458910e-03] [ 1.44935876e-03 8.33666469e-13 1.44935876e-03] [ 1.44935875e-03 6.01952516e-13 -1.44935876e-03] [-1.44935876e-03 3.27215685e-13 1.44935876e-03] [-1.44935875e-03 1.01915004e-14 -1.44935876e-03] [-3.03458910e-03 -9.11731325e-04 2.21045404e-13] [ 3.03458910e-03 -9.11731324e-04 6.68042011e-14] [-3.03458910e-03 9.11731326e-04 5.78580586e-13] [ 3.03458910e-03 9.11731325e-04 -1.75054415e-13] [-3.52920384e-13 -9.11731325e-04 -3.03458910e-03] [-3.30546354e-13 9.11731325e-04 -3.03458910e-03] [-2.75125409e-13 -9.11731325e-04 3.03458910e-03] [-2.23250671e-13 9.11731324e-04 3.03458910e-03] [ 1.44935876e-03 -4.23050012e-13 1.44935876e-03] [ 1.44935876e-03 -6.20103361e-13 -1.44935876e-03] [-1.44935876e-03 -7.55263473e-13 1.44935875e-03] [-1.44935876e-03 -1.93486286e-13 -1.44935875e-03] [-3.03458910e-03 -9.11731324e-04 1.24321986e-12] [ 3.03458910e-03 -9.11731324e-04 9.56629141e-13] [-3.03458910e-03 9.11731324e-04 5.07283736e-13] [ 3.03458910e-03 9.11731323e-04 1.71105751e-13]] Final stress: [ 5.75018107e-05 -3.36810111e-04 5.75018107e-05 -0.00000000e+00 8.15037901e-17 -1.23087356e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.01764003e-03 2.35764099e-13 1.13015933e-13] [-4.01764003e-03 1.08774101e-13 -8.01025912e-14] [ 8.49060405e-15 5.53074464e-04 -2.97983206e-06] [ 1.10716991e-13 -5.53074464e-04 2.97983192e-06] [-7.01860445e-14 -2.97983198e-06 5.53074464e-04] [-1.10855769e-13 2.97983179e-06 -5.53074464e-04] [ 4.01764003e-03 -1.61945110e-14 1.65953414e-14] [-4.01764003e-03 7.53073819e-14 5.76118135e-14] [ 8.82206634e-14 5.53074464e-04 -2.97983194e-06] [ 6.47385791e-14 -5.53074464e-04 2.97983197e-06] [-4.94500274e-14 -2.97983217e-06 5.53074464e-04] [-8.90893262e-14 2.97983182e-06 -5.53074464e-04] [ 1.56048289e-03 1.13543881e-03 1.13543881e-03] [ 3.00428151e-03 -1.21840587e-03 1.21840587e-03] [ 3.00428151e-03 1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 -1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 1.21840587e-03 -1.21840587e-03] [-1.56048289e-03 -1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 -1.21840587e-03 1.21840587e-03] [-1.56048289e-03 1.13543881e-03 1.13543881e-03] [ 1.56048289e-03 1.13543881e-03 1.13543881e-03] [ 3.00428151e-03 -1.21840587e-03 1.21840587e-03] [ 3.00428151e-03 1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 -1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 1.21840587e-03 -1.21840587e-03] [-1.56048289e-03 -1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 -1.21840587e-03 1.21840587e-03] [-1.56048289e-03 1.13543881e-03 1.13543881e-03] [-3.22519789e-13 -2.68118860e-13 1.96592742e-13] [ 1.59670020e-13 1.57298235e-13 -3.51956273e-14] [ 3.97903932e-13 4.52922445e-03 4.52922445e-03] [-1.88977306e-13 7.71392976e-04 -7.71392976e-04] [-4.16611190e-14 -7.71392977e-04 7.71392976e-04] [-8.74803702e-14 -4.52922445e-03 -4.52922445e-03] [ 2.02612210e-03 1.82007266e-03 -1.31469893e-03] [ 2.02612210e-03 -1.82007266e-03 1.31469893e-03] [-2.02612210e-03 1.82007266e-03 -1.31469893e-03] [-2.02612210e-03 -1.82007266e-03 1.31469893e-03] [ 2.02612210e-03 -1.31469893e-03 1.82007266e-03] [-2.02612210e-03 -1.31469893e-03 1.82007266e-03] [ 2.02612210e-03 1.31469893e-03 -1.82007266e-03] [-2.02612210e-03 1.31469893e-03 -1.82007266e-03] [ 2.26086511e-14 4.52922445e-03 4.52922445e-03] [ 6.26933401e-14 7.71392975e-04 -7.71392977e-04] [ 9.84954306e-14 -7.71392976e-04 7.71392977e-04] [ 1.54765957e-13 -4.52922445e-03 -4.52922445e-03] [ 2.02612210e-03 1.82007266e-03 -1.31469893e-03] [ 2.02612210e-03 -1.82007266e-03 1.31469893e-03] [-2.02612210e-03 1.82007266e-03 -1.31469893e-03] [-2.02612210e-03 -1.82007266e-03 1.31469893e-03] [ 2.02612210e-03 -1.31469893e-03 1.82007266e-03] [-2.02612210e-03 -1.31469893e-03 1.82007266e-03] [ 2.02612210e-03 1.31469893e-03 -1.82007266e-03] [-2.02612210e-03 1.31469893e-03 -1.82007266e-03]] Final stress: [-1.15379462e-04 1.13571831e-04 1.13571831e-04 1.11261498e-04 3.27438602e-16 -2.45994483e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.01764003e-03 -1.15428500e-13 -6.83624164e-14] [-4.01764003e-03 2.76445533e-14 -6.17284002e-14] [-2.43945489e-15 5.53074464e-04 2.97983201e-06] [-7.60780328e-14 -5.53074464e-04 -2.97983214e-06] [ 3.11977007e-14 2.97983204e-06 5.53074464e-04] [ 1.34336986e-14 -2.97983210e-06 -5.53074464e-04] [ 4.01764003e-03 -5.36380836e-14 4.49937874e-14] [-4.01764003e-03 -8.28269744e-14 -2.65523019e-14] [-3.43280092e-14 5.53074464e-04 2.97983206e-06] [ 1.77332107e-15 -5.53074464e-04 -2.97983215e-06] [ 1.93213501e-14 2.97983204e-06 5.53074464e-04] [-3.84982844e-14 -2.97983210e-06 -5.53074464e-04] [-3.00428151e-03 1.21840587e-03 1.21840587e-03] [-1.56048289e-03 -1.13543881e-03 1.13543881e-03] [-1.56048289e-03 1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 -1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 1.13543881e-03 -1.13543881e-03] [ 3.00428151e-03 -1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 -1.13543881e-03 1.13543881e-03] [ 3.00428151e-03 1.21840587e-03 1.21840587e-03] [-3.00428151e-03 1.21840587e-03 1.21840587e-03] [-1.56048289e-03 -1.13543881e-03 1.13543881e-03] [-1.56048289e-03 1.13543881e-03 -1.13543881e-03] [-3.00428151e-03 -1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 1.13543881e-03 -1.13543881e-03] [ 3.00428151e-03 -1.21840587e-03 -1.21840587e-03] [ 1.56048289e-03 -1.13543881e-03 1.13543881e-03] [ 3.00428151e-03 1.21840587e-03 1.21840587e-03] [-6.53088694e-14 -1.40581990e-13 4.19386748e-14] [ 3.47968182e-14 9.12174371e-15 2.63863657e-13] [-2.65121258e-13 -7.71392976e-04 -7.71392977e-04] [-1.77023327e-13 -4.52922445e-03 4.52922445e-03] [-1.75699733e-13 4.52922445e-03 -4.52922445e-03] [ 6.76195211e-15 7.71392976e-04 7.71392976e-04] [ 2.02612210e-03 -1.82007266e-03 -1.31469893e-03] [ 2.02612210e-03 1.82007266e-03 1.31469893e-03] [-2.02612210e-03 -1.82007266e-03 -1.31469893e-03] [-2.02612210e-03 1.82007266e-03 1.31469893e-03] [ 2.02612210e-03 -1.31469893e-03 -1.82007266e-03] [-2.02612210e-03 -1.31469893e-03 -1.82007266e-03] [ 2.02612210e-03 1.31469893e-03 1.82007266e-03] [-2.02612210e-03 1.31469893e-03 1.82007266e-03] [-8.08164299e-15 -7.71392976e-04 -7.71392976e-04] [ 1.40485280e-13 -4.52922445e-03 4.52922445e-03] [ 8.83234458e-15 4.52922445e-03 -4.52922445e-03] [ 2.90674602e-14 7.71392977e-04 7.71392976e-04] [ 2.02612210e-03 -1.82007266e-03 -1.31469893e-03] [ 2.02612210e-03 1.82007266e-03 1.31469893e-03] [-2.02612210e-03 -1.82007266e-03 -1.31469893e-03] [-2.02612210e-03 1.82007266e-03 1.31469893e-03] [ 2.02612210e-03 -1.31469893e-03 -1.82007266e-03] [-2.02612210e-03 -1.31469893e-03 -1.82007266e-03] [ 2.02612210e-03 1.31469893e-03 1.82007266e-03] [-2.02612210e-03 1.31469893e-03 1.82007266e-03]] Final stress: [-1.15379462e-04 1.13571831e-04 1.13571831e-04 -1.11261498e-04 1.61226114e-16 -1.92806486e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.92925982e-03 7.56903221e-15 5.54101036e-14] [ 3.92925982e-03 -1.77829973e-13 -1.28758115e-13] [ 3.36488649e-14 -4.56402042e-04 7.76028183e-05] [ 1.23373534e-13 4.56402042e-04 -7.76028183e-05] [ 4.00916279e-14 7.76028183e-05 -4.56402042e-04] [-1.14547261e-13 -7.76028181e-05 4.56402042e-04] [-3.92925982e-03 -4.42454233e-14 -1.09563120e-13] [ 3.92925982e-03 -9.13930390e-14 -3.95441035e-14] [ 1.19492090e-14 -4.56402042e-04 7.76028182e-05] [ 1.11741345e-13 4.56402042e-04 -7.76028181e-05] [-1.93803307e-14 7.76028182e-05 -4.56402042e-04] [ 9.57723484e-14 -7.76028181e-05 4.56402042e-04] [ 3.09598276e-03 -1.24435539e-03 -1.24435539e-03] [ 1.50370726e-03 1.12903486e-03 -1.12903486e-03] [ 1.50370726e-03 -1.12903486e-03 1.12903486e-03] [ 3.09598276e-03 1.24435539e-03 1.24435539e-03] [-1.50370726e-03 -1.12903486e-03 1.12903486e-03] [-3.09598276e-03 1.24435539e-03 1.24435539e-03] [-1.50370726e-03 1.12903486e-03 -1.12903486e-03] [-3.09598276e-03 -1.24435539e-03 -1.24435539e-03] [ 3.09598276e-03 -1.24435539e-03 -1.24435539e-03] [ 1.50370726e-03 1.12903486e-03 -1.12903486e-03] [ 1.50370726e-03 -1.12903486e-03 1.12903486e-03] [ 3.09598276e-03 1.24435539e-03 1.24435539e-03] [-1.50370726e-03 -1.12903486e-03 1.12903486e-03] [-3.09598276e-03 1.24435539e-03 1.24435539e-03] [-1.50370726e-03 1.12903486e-03 -1.12903486e-03] [-3.09598276e-03 -1.24435539e-03 -1.24435539e-03] [ 1.55347957e-13 -1.29340982e-13 8.32112157e-14] [-3.65982852e-13 -1.74122318e-13 -2.15077767e-13] [ 6.32827124e-15 9.73372733e-04 9.73372733e-04] [-2.07604767e-13 4.44023233e-03 -4.44023233e-03] [-1.52662605e-13 -4.44023233e-03 4.44023233e-03] [-1.60309266e-13 -9.73372733e-04 -9.73372733e-04] [-1.83714405e-03 1.82324335e-03 1.45503088e-03] [-1.83714405e-03 -1.82324335e-03 -1.45503088e-03] [ 1.83714405e-03 1.82324335e-03 1.45503088e-03] [ 1.83714405e-03 -1.82324335e-03 -1.45503088e-03] [-1.83714405e-03 1.45503088e-03 1.82324335e-03] [ 1.83714405e-03 1.45503088e-03 1.82324335e-03] [-1.83714405e-03 -1.45503088e-03 -1.82324335e-03] [ 1.83714405e-03 -1.45503088e-03 -1.82324335e-03] [-2.78886723e-13 9.73372733e-04 9.73372733e-04] [-3.72844117e-14 4.44023233e-03 -4.44023233e-03] [ 1.60248117e-13 -4.44023233e-03 4.44023233e-03] [-1.60674425e-14 -9.73372733e-04 -9.73372733e-04] [-1.83714405e-03 1.82324335e-03 1.45503088e-03] [-1.83714405e-03 -1.82324335e-03 -1.45503088e-03] [ 1.83714405e-03 1.82324335e-03 1.45503088e-03] [ 1.83714405e-03 -1.82324335e-03 -1.45503088e-03] [-1.83714405e-03 1.45503088e-03 1.82324335e-03] [ 1.83714405e-03 1.45503088e-03 1.82324335e-03] [-1.83714405e-03 -1.45503088e-03 -1.82324335e-03] [ 1.83714405e-03 -1.45503088e-03 -1.82324335e-03]] Final stress: [ 1.13768161e-04 -1.15721619e-04 -1.15721619e-04 1.11091708e-04 3.39239080e-16 -6.81804033e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.93098229e-03 -9.87855631e-14 6.27271672e-14] [ 3.93098229e-03 -1.38250522e-13 4.48530102e-14] [-6.84521884e-15 -4.57371831e-04 -7.88988720e-05] [ 2.93098879e-14 4.57371831e-04 7.88988720e-05] [ 4.26421051e-14 -7.88988720e-05 -4.57371831e-04] [-4.55468996e-14 7.88988722e-05 4.57371831e-04] [-3.93098229e-03 -1.71316954e-14 1.55212141e-13] [ 3.93098229e-03 6.11719876e-14 1.98731854e-13] [ 1.09899069e-14 -4.57371830e-04 -7.88988720e-05] [-5.31337127e-14 4.57371831e-04 7.88988719e-05] [-1.11561368e-13 -7.88988719e-05 -4.57371830e-04] [-9.33892720e-14 7.88988720e-05 4.57371830e-04] [-1.50495851e-03 -1.12917619e-03 -1.12917619e-03] [-3.09814580e-03 1.24471713e-03 -1.24471713e-03] [-3.09814580e-03 -1.24471713e-03 1.24471713e-03] [-1.50495851e-03 1.12917619e-03 1.12917619e-03] [ 3.09814580e-03 -1.24471713e-03 1.24471713e-03] [ 1.50495851e-03 1.12917619e-03 1.12917619e-03] [ 3.09814580e-03 1.24471713e-03 -1.24471713e-03] [ 1.50495851e-03 -1.12917619e-03 -1.12917619e-03] [-1.50495851e-03 -1.12917619e-03 -1.12917619e-03] [-3.09814580e-03 1.24471713e-03 -1.24471713e-03] [-3.09814580e-03 -1.24471713e-03 1.24471713e-03] [-1.50495851e-03 1.12917619e-03 1.12917619e-03] [ 3.09814580e-03 -1.24471713e-03 1.24471713e-03] [ 1.50495851e-03 1.12917619e-03 1.12917619e-03] [ 3.09814581e-03 1.24471713e-03 -1.24471713e-03] [ 1.50495851e-03 -1.12917619e-03 -1.12917619e-03] [-3.53911345e-13 -1.95815586e-13 2.02171613e-13] [ 2.52597422e-14 -2.40627258e-13 1.36908647e-13] [-2.22266650e-13 -4.44119072e-03 -4.44119072e-03] [-2.64312877e-13 -9.74408351e-04 9.74408350e-04] [-1.96339472e-13 9.74408350e-04 -9.74408350e-04] [-2.19279456e-13 4.44119072e-03 4.44119072e-03] [-1.84067519e-03 -1.82339109e-03 1.45882672e-03] [-1.84067519e-03 1.82339109e-03 -1.45882672e-03] [ 1.84067519e-03 -1.82339109e-03 1.45882672e-03] [ 1.84067519e-03 1.82339109e-03 -1.45882672e-03] [-1.84067518e-03 1.45882672e-03 -1.82339109e-03] [ 1.84067518e-03 1.45882672e-03 -1.82339109e-03] [-1.84067519e-03 -1.45882672e-03 1.82339109e-03] [ 1.84067518e-03 -1.45882672e-03 1.82339109e-03] [-8.86851356e-14 -4.44119072e-03 -4.44119072e-03] [-2.44001867e-14 -9.74408350e-04 9.74408350e-04] [ 2.16298333e-14 9.74408350e-04 -9.74408350e-04] [-6.38217777e-14 4.44119072e-03 4.44119072e-03] [-1.84067518e-03 -1.82339109e-03 1.45882672e-03] [-1.84067518e-03 1.82339109e-03 -1.45882672e-03] [ 1.84067518e-03 -1.82339109e-03 1.45882672e-03] [ 1.84067518e-03 1.82339109e-03 -1.45882672e-03] [-1.84067519e-03 1.45882672e-03 -1.82339109e-03] [ 1.84067519e-03 1.45882672e-03 -1.82339109e-03] [-1.84067518e-03 -1.45882672e-03 1.82339109e-03] [ 1.84067518e-03 -1.45882672e-03 1.82339109e-03]] Final stress: [ 1.13808639e-04 -1.15741203e-04 -1.15741203e-04 -1.11103994e-04 1.82923033e-17 1.99552400e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.03271991e-03 9.98424433e-14 6.15520243e-05] [-4.03271991e-03 1.16434640e-13 -6.15520242e-05] [ 1.34585485e-13 5.05992679e-04 -9.38814998e-14] [ 8.07132139e-14 -5.05992679e-04 3.40560913e-14] [ 9.71113144e-05 -1.01002540e-13 5.43386219e-04] [-9.71113144e-05 -8.82349749e-14 -5.43386219e-04] [ 4.03271991e-03 3.26956344e-14 6.15520243e-05] [-4.03271991e-03 5.08620923e-15 -6.15520238e-05] [-2.00798579e-14 5.05992679e-04 -6.26193749e-14] [-6.55790526e-14 -5.05992679e-04 -1.71366051e-13] [ 9.71113146e-05 -5.57182707e-14 5.43386220e-04] [-9.71113146e-05 6.65058625e-15 -5.43386219e-04] [-7.56264622e-04 3.42591277e-03 1.11440822e-03] [ 6.47068671e-04 1.11442348e-03 1.22967504e-03] [ 7.56264623e-04 3.42591277e-03 -1.11440822e-03] [-6.47068671e-04 1.11442348e-03 -1.22967504e-03] [-6.47068671e-04 -1.11442348e-03 -1.22967504e-03] [ 7.56264622e-04 -3.42591277e-03 -1.11440822e-03] [-7.56264622e-04 -3.42591277e-03 1.11440822e-03] [ 6.47068671e-04 -1.11442348e-03 1.22967504e-03] [-7.56264622e-04 3.42591277e-03 1.11440822e-03] [ 6.47068671e-04 1.11442348e-03 1.22967504e-03] [ 7.56264623e-04 3.42591277e-03 -1.11440822e-03] [-6.47068671e-04 1.11442348e-03 -1.22967504e-03] [-6.47068671e-04 -1.11442348e-03 -1.22967504e-03] [ 7.56264622e-04 -3.42591277e-03 -1.11440822e-03] [-7.56264622e-04 -3.42591277e-03 1.11440822e-03] [ 6.47068671e-04 -1.11442348e-03 1.22967504e-03] [-4.53803661e-14 -1.63813407e-13 2.85521606e-13] [ 1.36082985e-13 -8.80273328e-14 -1.43950792e-13] [ 1.84670761e-03 1.86497631e-03 1.86799359e-03] [ 1.84670761e-03 -1.86497631e-03 1.86799359e-03] [-1.84670761e-03 1.86497631e-03 -1.86799359e-03] [-1.84670761e-03 -1.86497631e-03 -1.86799359e-03] [ 4.68696238e-03 1.54765090e-13 1.36066053e-03] [-6.50529080e-04 2.79592322e-13 3.95363311e-03] [ 6.50529080e-04 -3.15594773e-13 -3.95363311e-03] [-4.68696238e-03 -2.45060916e-13 -1.36066052e-03] [ 2.01254214e-03 -1.30489552e-03 1.83434198e-03] [-2.01254214e-03 -1.30489552e-03 -1.83434198e-03] [ 2.01254214e-03 1.30489552e-03 1.83434198e-03] [-2.01254214e-03 1.30489552e-03 -1.83434198e-03] [ 1.84670761e-03 1.86497631e-03 1.86799359e-03] [ 1.84670761e-03 -1.86497631e-03 1.86799359e-03] [-1.84670761e-03 1.86497631e-03 -1.86799359e-03] [-1.84670761e-03 -1.86497631e-03 -1.86799359e-03] [ 4.68696238e-03 1.21457928e-13 1.36066052e-03] [-6.50529079e-04 7.39898594e-14 3.95363311e-03] [ 6.50529080e-04 8.63233096e-14 -3.95363311e-03] [-4.68696238e-03 -1.04764288e-14 -1.36066052e-03] [ 2.01254214e-03 -1.30489552e-03 1.83434198e-03] [-2.01254214e-03 -1.30489552e-03 -1.83434198e-03] [ 2.01254214e-03 1.30489552e-03 1.83434198e-03] [-2.01254213e-03 1.30489552e-03 -1.83434198e-03]] Final stress: [-1.14294798e-04 1.13121788e-04 1.13537090e-04 -5.31879962e-17 1.11127954e-04 1.66212488e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.03288139e-03 1.13993884e-13 -6.17080916e-05] [-4.03288139e-03 1.38888900e-13 6.17080915e-05] [-1.58225429e-13 5.06059506e-04 1.50008912e-13] [-9.94482274e-14 -5.06059506e-04 1.10661480e-13] [-9.72677877e-05 1.11071742e-13 5.43454640e-04] [ 9.72677877e-05 6.56974475e-14 -5.43454640e-04] [ 4.03288139e-03 2.44001867e-14 -6.17080916e-05] [-4.03288139e-03 3.68815221e-14 6.17080916e-05] [ 2.01704972e-14 5.06059506e-04 8.14273072e-14] [ 1.04868371e-14 -5.06059506e-04 4.11125283e-14] [-9.72677876e-05 2.92102090e-15 5.43454640e-04] [ 9.72677876e-05 1.67091102e-14 -5.43454640e-04] [-6.47073684e-04 -1.11457000e-03 1.22972747e-03] [ 7.56327733e-04 -3.42610581e-03 1.11440420e-03] [ 6.47073684e-04 -1.11457000e-03 -1.22972747e-03] [-7.56327733e-04 -3.42610581e-03 -1.11440420e-03] [-7.56327733e-04 3.42610581e-03 -1.11440420e-03] [ 6.47073684e-04 1.11457000e-03 -1.22972747e-03] [-6.47073685e-04 1.11457000e-03 1.22972747e-03] [ 7.56327733e-04 3.42610581e-03 1.11440420e-03] [-6.47073685e-04 -1.11457000e-03 1.22972747e-03] [ 7.56327733e-04 -3.42610581e-03 1.11440420e-03] [ 6.47073684e-04 -1.11457000e-03 -1.22972747e-03] [-7.56327733e-04 -3.42610581e-03 -1.11440420e-03] [-7.56327733e-04 3.42610581e-03 -1.11440420e-03] [ 6.47073684e-04 1.11457000e-03 -1.22972747e-03] [-6.47073684e-04 1.11457000e-03 1.22972747e-03] [ 7.56327733e-04 3.42610581e-03 1.11440420e-03] [ 1.38444811e-13 2.80747647e-13 1.26981758e-13] [-4.00595355e-14 -1.83701284e-13 1.97990199e-13] [-1.84675423e-03 1.86497692e-03 1.86799381e-03] [-1.84675423e-03 -1.86497692e-03 1.86799381e-03] [ 1.84675423e-03 1.86497692e-03 -1.86799381e-03] [ 1.84675423e-03 -1.86497692e-03 -1.86799381e-03] [-6.50222014e-04 1.37223566e-13 -3.95408817e-03] [ 4.68741893e-03 1.45852080e-13 -1.36034838e-03] [-4.68741893e-03 1.46431478e-13 1.36034838e-03] [ 6.50222014e-04 2.06704445e-13 3.95408817e-03] [ 2.01292325e-03 -1.30527937e-03 -1.83438698e-03] [-2.01292325e-03 -1.30527937e-03 1.83438698e-03] [ 2.01292325e-03 1.30527937e-03 -1.83438698e-03] [-2.01292325e-03 1.30527937e-03 1.83438698e-03] [-1.84675423e-03 1.86497692e-03 1.86799381e-03] [-1.84675423e-03 -1.86497692e-03 1.86799381e-03] [ 1.84675423e-03 1.86497692e-03 -1.86799381e-03] [ 1.84675423e-03 -1.86497692e-03 -1.86799381e-03] [-6.50222015e-04 -4.41061561e-14 -3.95408817e-03] [ 4.68741893e-03 -8.35351753e-14 -1.36034838e-03] [-4.68741893e-03 -1.76768322e-15 1.36034838e-03] [ 6.50222015e-04 -7.52700853e-14 3.95408817e-03] [ 2.01292325e-03 -1.30527937e-03 -1.83438698e-03] [-2.01292325e-03 -1.30527937e-03 1.83438698e-03] [ 2.01292325e-03 1.30527937e-03 -1.83438698e-03] [-2.01292325e-03 1.30527937e-03 1.83438698e-03]] Final stress: [-1.14298801e-04 1.13123567e-04 1.13538894e-04 1.32969991e-16 -1.11129498e-04 -1.49591239e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.90692798e-03 1.57322072e-13 5.19586347e-06] [ 3.90692798e-03 3.27238237e-14 -5.19586353e-06] [ 8.58336839e-14 -4.99471344e-04 -1.99623304e-14] [ 1.11466392e-13 4.99471344e-04 -7.13318293e-15] [-2.22430045e-05 1.14319144e-13 -4.63789500e-04] [ 2.22430045e-05 8.99003094e-14 4.63789500e-04] [-3.90692798e-03 1.73966744e-14 5.19586367e-06] [ 3.90692798e-03 2.11723000e-15 -5.19586349e-06] [-6.36999134e-14 -4.99471345e-04 -1.42855691e-13] [-9.32066924e-14 4.99471344e-04 -4.72561933e-14] [-2.22430045e-05 -3.14008434e-14 -4.63789500e-04] [ 2.22430043e-05 -2.77259049e-14 4.63789500e-04] [ 7.71932958e-04 1.09912897e-03 -1.23096484e-03] [-8.59201152e-04 3.51502273e-03 -1.15114497e-03] [-7.71932958e-04 1.09912897e-03 1.23096484e-03] [ 8.59201153e-04 3.51502273e-03 1.15114497e-03] [ 8.59201152e-04 -3.51502273e-03 1.15114497e-03] [-7.71932958e-04 -1.09912897e-03 1.23096484e-03] [ 7.71932958e-04 -1.09912897e-03 -1.23096484e-03] [-8.59201152e-04 -3.51502273e-03 -1.15114497e-03] [ 7.71932958e-04 1.09912897e-03 -1.23096484e-03] [-8.59201152e-04 3.51502273e-03 -1.15114497e-03] [-7.71932958e-04 1.09912897e-03 1.23096484e-03] [ 8.59201152e-04 3.51502273e-03 1.15114497e-03] [ 8.59201152e-04 -3.51502273e-03 1.15114497e-03] [-7.71932958e-04 -1.09912897e-03 1.23096484e-03] [ 7.71932958e-04 -1.09912897e-03 -1.23096484e-03] [-8.59201152e-04 -3.51502273e-03 -1.15114497e-03] [ 1.76025861e-13 2.13162821e-13 -4.16333634e-14] [-1.10369179e-13 3.27797657e-13 -3.75840914e-14] [ 1.79773884e-03 -1.74953323e-03 -1.74670017e-03] [ 1.79773884e-03 1.74953323e-03 -1.74670017e-03] [-1.79773884e-03 -1.74953323e-03 1.74670017e-03] [-1.79773884e-03 1.74953323e-03 1.74670017e-03] [ 8.61304110e-04 -3.84137167e-14 4.15263586e-03] [-4.51841160e-03 7.82828663e-14 1.24644985e-03] [ 4.51841160e-03 -2.30215152e-14 -1.24644985e-03] [-8.61304109e-04 -1.03817996e-13 -4.15263586e-03] [-1.83101871e-03 1.44739632e-03 1.81069033e-03] [ 1.83101871e-03 1.44739632e-03 -1.81069033e-03] [-1.83101871e-03 -1.44739632e-03 1.81069033e-03] [ 1.83101871e-03 -1.44739632e-03 -1.81069033e-03] [ 1.79773884e-03 -1.74953323e-03 -1.74670017e-03] [ 1.79773884e-03 1.74953323e-03 -1.74670017e-03] [-1.79773884e-03 -1.74953323e-03 1.74670017e-03] [-1.79773884e-03 1.74953323e-03 1.74670017e-03] [ 8.61304110e-04 -1.99346468e-13 4.15263586e-03] [-4.51841160e-03 -6.48866811e-14 1.24644985e-03] [ 4.51841160e-03 -8.40477861e-14 -1.24644985e-03] [-8.61304111e-04 9.08374938e-14 -4.15263586e-03] [-1.83101871e-03 1.44739632e-03 1.81069033e-03] [ 1.83101871e-03 1.44739633e-03 -1.81069033e-03] [-1.83101871e-03 -1.44739632e-03 1.81069033e-03] [ 1.83101871e-03 -1.44739633e-03 -1.81069033e-03]] Final stress: [ 1.14594553e-04 -1.16240347e-04 -1.15917452e-04 -1.99552400e-16 1.11219919e-04 2.07867083e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.91544042e-03 -1.32064932e-13 -1.26055529e-05] [ 3.91544042e-03 -1.19959598e-13 1.26055529e-05] [-6.96213920e-14 -5.03751062e-04 -1.21781925e-14] [-1.38278278e-13 5.03751062e-04 -3.80251386e-15] [ 1.48127214e-05 -1.02161335e-13 -4.67994945e-04] [-1.48127214e-05 -9.26203558e-14 4.67994945e-04] [-3.91544042e-03 8.67140561e-14 -1.26055529e-05] [ 3.91544042e-03 8.71499053e-14 1.26055527e-05] [ 2.51617303e-14 -5.03751062e-04 -6.51061837e-14] [-5.51165016e-15 5.03751063e-04 1.52308353e-14] [ 1.48127213e-05 -2.19455253e-14 -4.67994945e-04] [-1.48127214e-05 -5.02053360e-14 4.67994945e-04] [ 8.62558337e-04 -3.52542867e-03 -1.15130470e-03] [-7.73121803e-04 -1.10687118e-03 -1.23337097e-03] [-8.62558337e-04 -3.52542867e-03 1.15130470e-03] [ 7.73121804e-04 -1.10687118e-03 1.23337097e-03] [ 7.73121804e-04 1.10687118e-03 1.23337097e-03] [-8.62558337e-04 3.52542867e-03 1.15130470e-03] [ 8.62558337e-04 3.52542867e-03 -1.15130470e-03] [-7.73121803e-04 1.10687118e-03 -1.23337097e-03] [ 8.62558337e-04 -3.52542867e-03 -1.15130470e-03] [-7.73121803e-04 -1.10687118e-03 -1.23337097e-03] [-8.62558337e-04 -3.52542867e-03 1.15130470e-03] [ 7.73121804e-04 -1.10687118e-03 1.23337097e-03] [ 7.73121804e-04 1.10687118e-03 1.23337097e-03] [-8.62558337e-04 3.52542867e-03 1.15130470e-03] [ 8.62558337e-04 3.52542867e-03 -1.15130470e-03] [-7.73121803e-04 1.10687118e-03 -1.23337097e-03] [ 4.57189842e-13 -4.06064071e-13 3.63181707e-13] [-1.56198405e-13 1.97630334e-14 -4.11550566e-14] [-1.79928910e-03 -1.74915459e-03 -1.74633855e-03] [-1.79928910e-03 1.74915459e-03 -1.74633855e-03] [ 1.79928910e-03 -1.74915459e-03 1.74633855e-03] [ 1.79928910e-03 1.74915459e-03 1.74633855e-03] [-4.54168222e-03 -4.48641124e-13 -1.23071078e-03] [ 8.46676531e-04 -4.46769358e-13 -4.17734747e-03] [-8.46676531e-04 -2.03038975e-13 4.17734747e-03] [ 4.54168222e-03 -3.50846088e-13 1.23071078e-03] [-1.84998390e-03 1.46761907e-03 -1.81233320e-03] [ 1.84998390e-03 1.46761907e-03 1.81233320e-03] [-1.84998390e-03 -1.46761907e-03 -1.81233320e-03] [ 1.84998390e-03 -1.46761907e-03 1.81233320e-03] [-1.79928910e-03 -1.74915459e-03 -1.74633855e-03] [-1.79928910e-03 1.74915459e-03 -1.74633855e-03] [ 1.79928910e-03 -1.74915459e-03 1.74633855e-03] [ 1.79928910e-03 1.74915459e-03 1.74633855e-03] [-4.54168222e-03 5.60399515e-14 -1.23071078e-03] [ 8.46676531e-04 1.35329031e-13 -4.17734747e-03] [-8.46676531e-04 1.37797759e-14 4.17734747e-03] [ 4.54168222e-03 1.23374401e-13 1.23071078e-03] [-1.84998390e-03 1.46761907e-03 -1.81233320e-03] [ 1.84998390e-03 1.46761907e-03 1.81233320e-03] [-1.84998390e-03 -1.46761907e-03 -1.81233320e-03] [ 1.84998390e-03 -1.46761907e-03 1.81233320e-03]] Final stress: [ 1.14800760e-04 -1.16343389e-04 -1.16019466e-04 -1.84585970e-16 -1.11295572e-04 2.36137006e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.03320475e-03 6.20206108e-05 4.64845176e-14] [-4.03320475e-03 -6.20206110e-05 7.34967642e-14] [ 9.75811196e-05 5.43591651e-04 6.67460878e-14] [-9.75811198e-05 -5.43591651e-04 -1.61537450e-14] [ 4.68891419e-14 -2.27803887e-14 5.06193326e-04] [ 5.27911048e-14 -1.33781874e-14 -5.06193326e-04] [ 4.03320475e-03 6.20206112e-05 1.40314823e-13] [-4.03320475e-03 -6.20206111e-05 1.63504644e-13] [ 9.75811197e-05 5.43591651e-04 -1.55436031e-13] [-9.75811196e-05 -5.43591651e-04 -1.03134063e-13] [ 8.43205714e-14 -8.80353980e-14 5.06193326e-04] [ 3.75133952e-16 -6.01206597e-14 -5.06193326e-04] [-7.56454109e-04 1.11439614e-03 3.42649236e-03] [ 7.56454109e-04 -1.11439614e-03 3.42649236e-03] [ 6.47083723e-04 1.22983246e-03 1.11486342e-03] [-6.47083723e-04 -1.22983246e-03 1.11486342e-03] [-7.56454109e-04 1.11439614e-03 -3.42649236e-03] [ 7.56454109e-04 -1.11439614e-03 -3.42649236e-03] [-6.47083723e-04 -1.22983246e-03 -1.11486342e-03] [ 6.47083723e-04 1.22983246e-03 -1.11486342e-03] [-7.56454109e-04 1.11439614e-03 3.42649236e-03] [ 7.56454109e-04 -1.11439614e-03 3.42649236e-03] [ 6.47083723e-04 1.22983246e-03 1.11486342e-03] [-6.47083723e-04 -1.22983246e-03 1.11486342e-03] [-7.56454109e-04 1.11439614e-03 -3.42649236e-03] [ 7.56454109e-04 -1.11439614e-03 -3.42649236e-03] [-6.47083724e-04 -1.22983246e-03 -1.11486342e-03] [ 6.47083723e-04 1.22983246e-03 -1.11486342e-03] [ 6.22002450e-13 -2.24209540e-13 3.28848060e-13] [-3.25338714e-14 -3.20905900e-14 -1.18131543e-13] [ 1.84684760e-03 1.86799425e-03 1.86497813e-03] [-1.84684760e-03 -1.86799425e-03 1.86497813e-03] [ 1.84684760e-03 1.86799425e-03 -1.86497813e-03] [-1.84684760e-03 -1.86799425e-03 -1.86497814e-03] [ 2.01368641e-03 1.83447708e-03 -1.30604802e-03] [ 2.01368641e-03 1.83447708e-03 1.30604802e-03] [-2.01368641e-03 -1.83447708e-03 -1.30604802e-03] [-2.01368641e-03 -1.83447708e-03 1.30604802e-03] [ 4.68833316e-03 1.35972333e-03 -2.49800181e-13] [ 6.49607127e-04 -3.95499941e-03 -1.65145675e-15] [-6.49607127e-04 3.95499941e-03 -3.03864572e-13] [-4.68833316e-03 -1.35972333e-03 2.46382775e-14] [ 1.84684760e-03 1.86799425e-03 1.86497814e-03] [-1.84684760e-03 -1.86799425e-03 1.86497814e-03] [ 1.84684760e-03 1.86799425e-03 -1.86497814e-03] [-1.84684760e-03 -1.86799425e-03 -1.86497814e-03] [ 2.01368642e-03 1.83447708e-03 -1.30604802e-03] [ 2.01368642e-03 1.83447708e-03 1.30604802e-03] [-2.01368641e-03 -1.83447708e-03 -1.30604802e-03] [-2.01368642e-03 -1.83447708e-03 1.30604802e-03] [ 4.68833315e-03 1.35972333e-03 1.87638661e-13] [ 6.49607127e-04 -3.95499941e-03 1.39994953e-13] [-6.49607127e-04 3.95499941e-03 5.58405962e-14] [-4.68833315e-03 -1.35972333e-03 -3.04639126e-14]] Final stress: [-1.14306815e-04 1.13542508e-04 1.13127131e-04 -2.27711109e-16 1.04713868e-16 1.11132590e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.03336633e-03 -6.21767693e-05 -1.64464796e-14] [-4.03336633e-03 6.21767691e-05 -1.71529457e-14] [-9.77376836e-05 5.43660112e-04 6.05817480e-14] [ 9.77376840e-05 -5.43660112e-04 -1.02001740e-13] [ 1.09690035e-13 4.47836213e-14 5.06260192e-04] [ 5.60107516e-14 1.30506717e-13 -5.06260192e-04] [ 4.03336633e-03 -6.21767691e-05 4.25189115e-14] [-4.03336633e-03 6.21767696e-05 3.97362180e-14] [-9.77376837e-05 5.43660112e-04 6.36725205e-15] [ 9.77376839e-05 -5.43660112e-04 6.26810749e-14] [ 3.10992551e-15 2.61641748e-14 5.06260191e-04] [ 3.53059595e-14 3.84315022e-14 -5.06260192e-04] [-6.47088739e-04 1.22988492e-03 -1.11501003e-03] [ 6.47088740e-04 -1.22988492e-03 -1.11501003e-03] [ 7.56517256e-04 1.11439212e-03 -3.42668551e-03] [-7.56517256e-04 -1.11439212e-03 -3.42668551e-03] [-6.47088739e-04 1.22988492e-03 1.11501003e-03] [ 6.47088740e-04 -1.22988492e-03 1.11501003e-03] [-7.56517256e-04 -1.11439212e-03 3.42668551e-03] [ 7.56517256e-04 1.11439212e-03 3.42668551e-03] [-6.47088739e-04 1.22988492e-03 -1.11501003e-03] [ 6.47088739e-04 -1.22988492e-03 -1.11501003e-03] [ 7.56517256e-04 1.11439212e-03 -3.42668551e-03] [-7.56517256e-04 -1.11439212e-03 -3.42668551e-03] [-6.47088739e-04 1.22988492e-03 1.11501003e-03] [ 6.47088739e-04 -1.22988492e-03 1.11501003e-03] [-7.56517256e-04 -1.11439212e-03 3.42668551e-03] [ 7.56517256e-04 1.11439212e-03 3.42668551e-03] [-1.62370117e-13 -2.45026222e-13 3.42087469e-13] [-2.91880235e-14 -3.30903795e-13 3.43084661e-13] [-1.84689426e-03 1.86799448e-03 1.86497874e-03] [ 1.84689426e-03 -1.86799448e-03 1.86497874e-03] [-1.84689426e-03 1.86799448e-03 -1.86497874e-03] [ 1.84689426e-03 -1.86799448e-03 -1.86497874e-03] [ 2.01406775e-03 -1.83452211e-03 -1.30643209e-03] [ 2.01406775e-03 -1.83452211e-03 1.30643209e-03] [-2.01406775e-03 1.83452211e-03 -1.30643209e-03] [-2.01406775e-03 1.83452211e-03 1.30643209e-03] [-6.49299884e-04 -3.95545474e-03 1.34559031e-13] [-4.68878997e-03 1.35941101e-03 6.74807432e-15] [ 4.68878997e-03 -1.35941101e-03 2.84485976e-13] [ 6.49299882e-04 3.95545474e-03 -6.76889100e-14] [-1.84689426e-03 1.86799448e-03 1.86497874e-03] [ 1.84689426e-03 -1.86799448e-03 1.86497874e-03] [-1.84689426e-03 1.86799448e-03 -1.86497874e-03] [ 1.84689426e-03 -1.86799448e-03 -1.86497874e-03] [ 2.01406775e-03 -1.83452211e-03 -1.30643209e-03] [ 2.01406775e-03 -1.83452211e-03 1.30643209e-03] [-2.01406775e-03 1.83452211e-03 -1.30643209e-03] [-2.01406775e-03 1.83452211e-03 1.30643209e-03] [-6.49299883e-04 -3.95545474e-03 4.44165556e-14] [-4.68878997e-03 1.35941101e-03 8.54430120e-14] [ 4.68878997e-03 -1.35941101e-03 -3.41660294e-14] [ 6.49299883e-04 3.95545474e-03 1.05206642e-14]] Final stress: [-1.14310820e-04 1.13544313e-04 1.13128911e-04 -6.64849953e-17 -1.04713868e-16 -1.11134135e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.91509649e-03 1.27584660e-05 -8.86265887e-14] [ 3.91509648e-03 -1.27584662e-05 -5.19029264e-14] [-1.46562397e-05 -4.67436274e-04 9.57567359e-15] [ 1.46562396e-05 4.67436274e-04 -7.14706072e-14] [ 7.02667091e-14 5.48693035e-15 -5.03192963e-04] [ 1.35308431e-13 4.00790512e-14 5.03192963e-04] [-3.91509649e-03 1.27584663e-05 -2.35169813e-14] [ 3.91509649e-03 -1.27584662e-05 -2.99735333e-14] [-1.46562399e-05 -4.67436274e-04 -4.28553410e-14] [ 1.46562398e-05 4.67436274e-04 -4.90032706e-15] [-1.05931756e-13 9.33436428e-15 -5.03192962e-04] [-8.60292740e-14 -1.18472514e-14 5.03192963e-04] [ 7.72799597e-04 -1.23355012e-03 1.10669970e-03] [-7.72799596e-04 1.23355012e-03 1.10669970e-03] [-8.62640980e-04 -1.15107495e-03 3.52520833e-03] [ 8.62640980e-04 1.15107495e-03 3.52520833e-03] [ 7.72799597e-04 -1.23355012e-03 -1.10669970e-03] [-7.72799596e-04 1.23355012e-03 -1.10669970e-03] [ 8.62640980e-04 1.15107495e-03 -3.52520833e-03] [-8.62640980e-04 -1.15107495e-03 -3.52520833e-03] [ 7.72799596e-04 -1.23355012e-03 1.10669970e-03] [-7.72799597e-04 1.23355012e-03 1.10669970e-03] [-8.62640980e-04 -1.15107495e-03 3.52520833e-03] [ 8.62640980e-04 1.15107495e-03 3.52520833e-03] [ 7.72799597e-04 -1.23355012e-03 -1.10669970e-03] [-7.72799597e-04 1.23355012e-03 -1.10669970e-03] [ 8.62640980e-04 1.15107495e-03 -3.52520833e-03] [-8.62640980e-04 -1.15107495e-03 -3.52520833e-03] [ 5.72319969e-13 2.92543767e-14 4.15001367e-13] [ 1.70692453e-14 -8.23831082e-14 -2.00669188e-13] [ 1.79968243e-03 -1.74625962e-03 -1.74907422e-03] [-1.79968243e-03 1.74625962e-03 -1.74907422e-03] [ 1.79968243e-03 -1.74625962e-03 1.74907422e-03] [-1.79968243e-03 1.74625962e-03 1.74907422e-03] [-1.85024448e-03 1.81272163e-03 1.46772837e-03] [-1.85024448e-03 1.81272163e-03 -1.46772837e-03] [ 1.85024448e-03 -1.81272163e-03 1.46772837e-03] [ 1.85024448e-03 -1.81272163e-03 -1.46772837e-03] [ 8.46024837e-04 4.17706058e-03 -9.54791801e-15] [ 4.54155171e-03 -1.23020842e-03 1.19652552e-13] [-4.54155171e-03 1.23020842e-03 -7.09501902e-14] [-8.46024837e-04 -4.17706058e-03 -1.04317596e-13] [ 1.79968243e-03 -1.74625962e-03 -1.74907422e-03] [-1.79968243e-03 1.74625962e-03 -1.74907422e-03] [ 1.79968243e-03 -1.74625962e-03 1.74907422e-03] [-1.79968243e-03 1.74625962e-03 1.74907422e-03] [-1.85024448e-03 1.81272163e-03 1.46772837e-03] [-1.85024448e-03 1.81272163e-03 -1.46772837e-03] [ 1.85024448e-03 -1.81272163e-03 1.46772837e-03] [ 1.85024448e-03 -1.81272163e-03 -1.46772837e-03] [ 8.46024836e-04 4.17706058e-03 1.19481436e-13] [ 4.54155171e-03 -1.23020842e-03 -4.44514522e-14] [-4.54155171e-03 1.23020842e-03 4.44969040e-14] [-8.46024837e-04 -4.17706058e-03 -9.76384772e-14]] Final stress: [ 1.14796077e-04 -1.16017329e-04 -1.16341200e-04 1.99552400e-17 -1.23057313e-16 1.11297617e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.91479440e-03 -1.19873389e-05 -1.37168055e-13] [ 3.91479440e-03 1.19873388e-05 -1.09079412e-13] [ 1.54330199e-05 -4.67710759e-04 1.00429214e-13] [-1.54330201e-05 4.67710759e-04 5.19029264e-14] [ 7.58681312e-14 -1.68589101e-14 -5.03460871e-04] [ 7.72160114e-14 -3.15303339e-14 5.03460870e-04] [-3.91479440e-03 -1.19873386e-05 5.22790004e-14] [ 3.91479440e-03 1.19873387e-05 3.75545680e-15] [ 1.54330200e-05 -4.67710758e-04 2.27044494e-14] [-1.54330198e-05 4.67710759e-04 -3.13241278e-14] [-3.71612463e-14 1.13234656e-14 -5.03460870e-04] [-9.33259546e-14 2.29316381e-14 5.03460870e-04] [ 8.62279036e-04 -1.15131787e-03 -3.52461327e-03] [-8.62279036e-04 1.15131787e-03 -3.52461327e-03] [-7.73060871e-04 -1.23315898e-03 -1.10626265e-03] [ 7.73060871e-04 1.23315898e-03 -1.10626265e-03] [ 8.62279036e-04 -1.15131787e-03 3.52461327e-03] [-8.62279036e-04 1.15131787e-03 3.52461327e-03] [ 7.73060871e-04 1.23315898e-03 1.10626265e-03] [-7.73060871e-04 -1.23315898e-03 1.10626265e-03] [ 8.62279036e-04 -1.15131787e-03 -3.52461327e-03] [-8.62279036e-04 1.15131787e-03 -3.52461327e-03] [-7.73060871e-04 -1.23315898e-03 -1.10626265e-03] [ 7.73060871e-04 1.23315898e-03 -1.10626265e-03] [ 8.62279036e-04 -1.15131787e-03 3.52461327e-03] [-8.62279036e-04 1.15131787e-03 3.52461327e-03] [ 7.73060871e-04 1.23315898e-03 1.10626265e-03] [-7.73060871e-04 -1.23315898e-03 1.10626265e-03] [ 1.31838984e-14 -4.13363788e-13 4.42423875e-14] [-5.07050998e-14 -2.19633606e-13 2.30612935e-14] [-1.79912647e-03 -1.74637564e-03 -1.74919318e-03] [ 1.79912646e-03 1.74637564e-03 -1.74919318e-03] [-1.79912647e-03 -1.74637564e-03 1.74919318e-03] [ 1.79912646e-03 1.74637564e-03 1.74919318e-03] [-1.84846253e-03 -1.81216374e-03 1.46600839e-03] [-1.84846253e-03 -1.81216374e-03 -1.46600839e-03] [ 1.84846253e-03 1.81216374e-03 1.46600839e-03] [ 1.84846253e-03 1.81216374e-03 -1.46600839e-03] [-4.53985636e-03 -1.23200308e-03 3.77475828e-15] [-8.47890831e-04 4.17541830e-03 4.91152258e-14] [ 8.47890831e-04 -4.17541830e-03 -1.29491903e-13] [ 4.53985636e-03 1.23200308e-03 -4.36716635e-14] [-1.79912646e-03 -1.74637564e-03 -1.74919318e-03] [ 1.79912646e-03 1.74637564e-03 -1.74919319e-03] [-1.79912646e-03 -1.74637564e-03 1.74919319e-03] [ 1.79912646e-03 1.74637564e-03 1.74919319e-03] [-1.84846253e-03 -1.81216374e-03 1.46600840e-03] [-1.84846253e-03 -1.81216374e-03 -1.46600840e-03] [ 1.84846253e-03 1.81216374e-03 1.46600839e-03] [ 1.84846253e-03 1.81216374e-03 -1.46600840e-03] [-4.53985636e-03 -1.23200308e-03 1.25990765e-13] [-8.47890832e-04 4.17541830e-03 1.90936649e-13] [ 8.47890832e-04 -4.17541830e-03 1.39931239e-13] [ 4.53985636e-03 1.23200308e-03 1.30233498e-13]] Final stress: [ 1.14784846e-04 -1.16011526e-04 -1.16335372e-04 -5.48769099e-17 8.97985799e-17 -1.11289211e-04] Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.31865108e-03 -4.31837725e-14 3.04656474e-14] [-3.31865109e-03 -1.60232938e-13 -5.49837953e-14] [-2.42211633e-13 1.03577210e-02 -8.69825045e-14] [ 1.53987934e-13 -1.03577210e-02 -1.60371716e-13] [-1.29877446e-13 2.11636264e-15 1.03577210e-02] [-2.24764651e-13 1.39666056e-13 -1.03577210e-02] [ 3.31865108e-03 8.83442625e-14 -2.20694656e-15] [-3.31865108e-03 2.32147634e-13 -2.68209472e-13] [ 9.96642005e-14 1.03577210e-02 -8.35442595e-14] [-1.16834060e-13 -1.03577210e-02 4.73492436e-14] [-2.27582710e-14 2.02499899e-13 1.03577210e-02] [-1.87237378e-14 1.66528681e-13 -1.03577210e-02] [ 4.17025427e-03 6.43248585e-04 6.43248585e-04] [-4.17025427e-03 -6.43248585e-04 6.43248585e-04] [-4.17025427e-03 6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 -6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 6.43248585e-04 -6.43248585e-04] [-4.17025427e-03 -6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 -6.43248585e-04 6.43248585e-04] [-4.17025427e-03 6.43248585e-04 6.43248585e-04] [ 4.17025427e-03 6.43248585e-04 6.43248585e-04] [-4.17025427e-03 -6.43248585e-04 6.43248585e-04] [-4.17025427e-03 6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 -6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 6.43248585e-04 -6.43248585e-04] [-4.17025427e-03 -6.43248585e-04 -6.43248585e-04] [ 4.17025427e-03 -6.43248584e-04 6.43248585e-04] [-4.17025427e-03 6.43248585e-04 6.43248585e-04] [ 1.10772502e-12 -7.88258347e-15 1.19709798e-13] [-6.84236088e-13 -1.91109969e-13 1.67491170e-13] [-4.49973392e-13 -3.44212006e-04 -3.44212010e-04] [-1.43868598e-12 3.44212007e-04 -3.44212008e-04] [-1.13386731e-13 -3.44212008e-04 3.44212008e-04] [ 1.62467262e-13 3.44212009e-04 3.44212006e-04] [ 1.22804236e-03 5.35349542e-13 1.17239866e-03] [ 1.22804236e-03 -3.68455266e-15 -1.17239866e-03] [-1.22804236e-03 4.63280456e-13 1.17239866e-03] [-1.22804236e-03 4.28690070e-13 -1.17239866e-03] [ 1.22804236e-03 1.17239866e-03 -4.71511719e-13] [-1.22804236e-03 1.17239866e-03 -9.59987298e-13] [ 1.22804236e-03 -1.17239866e-03 -9.23592799e-13] [-1.22804237e-03 -1.17239866e-03 -5.20328572e-13] [ 5.29631460e-13 -3.44212010e-04 -3.44212006e-04] [ 2.98885049e-13 3.44212009e-04 -3.44212007e-04] [ 1.38392466e-12 -3.44212008e-04 3.44212007e-04] [ 1.16145982e-12 3.44212007e-04 3.44212009e-04] [ 1.22804236e-03 -1.00433698e-12 1.17239866e-03] [ 1.22804236e-03 -2.85429883e-13 -1.17239866e-03] [-1.22804236e-03 -6.25029976e-13 1.17239866e-03] [-1.22804236e-03 -1.15400398e-12 -1.17239866e-03] [ 1.22804236e-03 1.17239866e-03 7.38991363e-13] [-1.22804236e-03 1.17239866e-03 1.51449494e-12] [ 1.22804236e-03 -1.17239866e-03 1.20791244e-12] [-1.22804236e-03 -1.17239866e-03 4.32026376e-13]] Final stress: [ 3.39682788e-04 -4.07436517e-05 -4.07436517e-05 -3.29020380e-16 1.82789100e-16 -1.86112538e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.05685663e-05 -5.12350579e-15 -3.38470571e-14] [-3.05685663e-05 2.00672812e-14 -4.24660307e-15] [ 2.93398118e-14 4.20625558e-03 -1.16495355e-14] [ 4.47974990e-14 -4.20625558e-03 4.46864767e-15] [ 1.07205043e-13 1.76408367e-14 -4.21792753e-03] [ 7.29971639e-14 -1.15185639e-14 4.21792753e-03] [ 3.05685663e-05 -1.47542568e-14 2.16842009e-14] [-3.05685661e-05 2.13748290e-14 2.08818842e-14] [-7.19042881e-15 4.20625558e-03 1.81314863e-14] [-3.10342030e-14 -4.20625558e-03 1.91105640e-14] [ 1.85333519e-14 6.80719011e-15 -4.21792753e-03] [-9.52059612e-15 -2.40692882e-15 4.21792753e-03] [-8.30641693e-06 2.50451627e-04 -2.79333756e-04] [ 8.30641686e-06 -2.50451627e-04 -2.79333756e-04] [ 8.30641679e-06 2.50451627e-04 2.79333756e-04] [-8.30641691e-06 -2.50451627e-04 2.79333756e-04] [-8.30641689e-06 2.50451627e-04 2.79333756e-04] [ 8.30641686e-06 -2.50451627e-04 2.79333756e-04] [-8.30641690e-06 -2.50451627e-04 -2.79333756e-04] [ 8.30641682e-06 2.50451627e-04 -2.79333756e-04] [-8.30641683e-06 2.50451627e-04 -2.79333756e-04] [ 8.30641685e-06 -2.50451627e-04 -2.79333756e-04] [ 8.30641685e-06 2.50451627e-04 2.79333756e-04] [-8.30641679e-06 -2.50451627e-04 2.79333756e-04] [-8.30641682e-06 2.50451627e-04 2.79333756e-04] [ 8.30641689e-06 -2.50451627e-04 2.79333756e-04] [-8.30641682e-06 -2.50451627e-04 -2.79333756e-04] [ 8.30641683e-06 2.50451627e-04 -2.79333756e-04] [ 5.98132655e-14 3.14193116e-14 1.15213394e-13] [-2.63717000e-14 -2.54310462e-15 9.59865555e-14] [-4.61852778e-14 2.23304968e-04 -2.43111933e-04] [ 3.38999662e-14 -2.23304968e-04 -2.43111933e-04] [ 3.95326133e-14 2.23304968e-04 2.43111933e-04] [ 1.33695138e-14 -2.23304968e-04 2.43111932e-04] [ 2.73264422e-04 -7.39408534e-14 4.93754655e-05] [ 2.73264422e-04 4.73805023e-14 -4.93754656e-05] [-2.73264422e-04 -4.07156947e-14 4.93754657e-05] [-2.73264422e-04 -6.26755592e-14 -4.93754656e-05] [-2.72198170e-04 -2.93331018e-05 9.54791801e-14] [ 2.72198170e-04 -2.93331017e-05 5.92980526e-14] [-2.72198170e-04 2.93331018e-05 1.16144941e-13] [ 2.72198170e-04 2.93331019e-05 2.25323232e-14] [ 1.65789257e-13 2.23304968e-04 -2.43111933e-04] [-3.21687121e-14 -2.23304968e-04 -2.43111933e-04] [-1.72483555e-14 2.23304968e-04 2.43111933e-04] [-1.78620140e-14 -2.23304968e-04 2.43111933e-04] [ 2.73264422e-04 -6.35814082e-14 4.93754658e-05] [ 2.73264422e-04 -2.55934596e-14 -4.93754658e-05] [-2.73264422e-04 -4.78740311e-14 4.93754657e-05] [-2.73264422e-04 1.32133887e-14 -4.93754658e-05] [-2.72198170e-04 -2.93331020e-05 4.59312187e-14] [ 2.72198170e-04 -2.93331021e-05 4.08858331e-14] [-2.72198170e-04 2.93331022e-05 9.71641997e-15] [ 2.72198170e-04 2.93331020e-05 1.66611083e-13]] Final stress: [-1.36290768e-07 -9.54984715e-05 9.62170369e-05 -1.49627761e-17 3.32506135e-18 -1.66253067e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.05685662e-05 -1.91157853e-14 7.40098087e-14] [-3.05685662e-05 -1.88737914e-14 6.95832281e-14] [ 2.59948313e-15 -4.21792753e-03 3.17536795e-14] [-1.83186799e-15 4.21792753e-03 4.31044089e-14] [ 1.87653712e-14 -4.53335286e-14 4.20625558e-03] [ 6.71684930e-15 -3.37785355e-14 -4.20625558e-03] [ 3.05685663e-05 -5.28834788e-14 4.47120472e-15] [-3.05685661e-05 -8.74387368e-15 3.25092635e-14] [ 6.53361913e-14 -4.21792753e-03 -5.38721765e-16] [ 5.28331719e-14 4.21792753e-03 -4.35678212e-15] [-6.56939780e-15 -2.32808564e-14 4.20625558e-03] [-5.03178228e-14 -2.81454547e-14 -4.20625558e-03] [-8.30641690e-06 -2.79333756e-04 2.50451627e-04] [ 8.30641677e-06 2.79333756e-04 2.50451627e-04] [ 8.30641675e-06 -2.79333756e-04 -2.50451627e-04] [-8.30641690e-06 2.79333756e-04 -2.50451627e-04] [-8.30641691e-06 -2.79333756e-04 -2.50451627e-04] [ 8.30641676e-06 2.79333756e-04 -2.50451627e-04] [-8.30641688e-06 2.79333756e-04 2.50451627e-04] [ 8.30641677e-06 -2.79333756e-04 2.50451627e-04] [-8.30641687e-06 -2.79333756e-04 2.50451627e-04] [ 8.30641686e-06 2.79333756e-04 2.50451627e-04] [ 8.30641686e-06 -2.79333756e-04 -2.50451627e-04] [-8.30641684e-06 2.79333756e-04 -2.50451627e-04] [-8.30641687e-06 -2.79333756e-04 -2.50451627e-04] [ 8.30641688e-06 2.79333756e-04 -2.50451627e-04] [-8.30641689e-06 2.79333756e-04 2.50451627e-04] [ 8.30641681e-06 -2.79333756e-04 2.50451626e-04] [ 2.04836148e-14 -1.23678845e-13 2.21433982e-13] [-7.30461698e-14 -4.04718891e-14 3.94221270e-14] [-1.97619698e-14 -2.43111933e-04 2.23304968e-04] [-1.90854277e-14 2.43111933e-04 2.23304968e-04] [ 2.30024333e-14 -2.43111933e-04 -2.23304968e-04] [-1.34146166e-14 2.43111933e-04 -2.23304968e-04] [-2.72198170e-04 -1.41553436e-13 -2.93331018e-05] [-2.72198170e-04 -1.29087713e-13 2.93331019e-05] [ 2.72198170e-04 -1.18936111e-13 -2.93331019e-05] [ 2.72198170e-04 -7.21697008e-14 2.93331019e-05] [ 2.73264422e-04 4.93754658e-05 1.07358566e-13] [-2.73264422e-04 4.93754657e-05 6.41396658e-14] [ 2.73264422e-04 -4.93754657e-05 7.41125911e-14] [-2.73264422e-04 -4.93754658e-05 3.37854744e-14] [-5.15802678e-14 -2.43111933e-04 2.23304968e-04] [ 6.90203103e-15 2.43111933e-04 2.23304968e-04] [-1.37975568e-14 -2.43111933e-04 -2.23304968e-04] [ 5.20143824e-14 2.43111933e-04 -2.23304968e-04] [-2.72198170e-04 4.29733166e-15 -2.93331018e-05] [-2.72198170e-04 4.40814919e-14 2.93331019e-05] [ 2.72198170e-04 -3.75159973e-14 -2.93331020e-05] [ 2.72198170e-04 -1.02955838e-14 2.93331020e-05] [ 2.73264422e-04 4.93754657e-05 4.88047065e-14] [-2.73264422e-04 4.93754658e-05 2.53977273e-14] [ 2.73264422e-04 -4.93754655e-05 1.75251964e-14] [-2.73264422e-04 -4.93754656e-05 3.94736327e-15]] Final stress: [-1.36290768e-07 9.62170369e-05 -9.54984715e-05 -3.99007362e-17 1.66253067e-18 3.82382055e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.80818728e-04 -2.76558290e-14 1.03004411e-13] [-2.80818728e-04 1.03167475e-13 1.74527059e-13] [ 1.00882844e-13 -9.60882586e-03 -1.74096848e-14] [ 5.25135491e-14 9.60882586e-03 7.09987624e-14] [-5.02150405e-14 9.88566867e-14 -9.60882586e-03] [ 3.55271368e-14 -4.74065232e-14 9.60882586e-03] [ 2.80818729e-04 5.25287279e-14 -2.15785813e-13] [-2.80818728e-04 8.64633885e-14 -3.52533144e-14] [-2.56544785e-13 -9.60882586e-03 -1.32875389e-13] [-4.14330029e-14 9.60882586e-03 -3.05901378e-13] [-1.96409729e-13 2.72253097e-14 -9.60882586e-03] [ 7.66587314e-14 5.29066704e-14 9.60882586e-03] [-4.76904535e-03 -8.73882652e-04 -8.73882653e-04] [ 4.76904535e-03 8.73882653e-04 -8.73882653e-04] [ 4.76904535e-03 -8.73882653e-04 8.73882653e-04] [-4.76904535e-03 8.73882653e-04 8.73882653e-04] [-4.76904535e-03 -8.73882653e-04 8.73882653e-04] [ 4.76904535e-03 8.73882653e-04 8.73882653e-04] [-4.76904535e-03 8.73882653e-04 -8.73882652e-04] [ 4.76904535e-03 -8.73882653e-04 -8.73882653e-04] [-4.76904535e-03 -8.73882653e-04 -8.73882653e-04] [ 4.76904535e-03 8.73882653e-04 -8.73882653e-04] [ 4.76904535e-03 -8.73882652e-04 8.73882652e-04] [-4.76904535e-03 8.73882653e-04 8.73882653e-04] [-4.76904535e-03 -8.73882653e-04 8.73882653e-04] [ 4.76904535e-03 8.73882652e-04 8.73882652e-04] [-4.76904535e-03 8.73882653e-04 -8.73882653e-04] [ 4.76904535e-03 -8.73882653e-04 -8.73882653e-04] [ 9.24565979e-13 -9.39803790e-14 1.28735911e-12] [-1.24742274e-12 -3.69041138e-13 -1.50971068e-13] [-1.02140518e-14 1.47117856e-03 1.47117856e-03] [ 1.18793864e-13 -1.47117856e-03 1.47117856e-03] [-6.13432916e-14 1.47117856e-03 -1.47117856e-03] [-9.99677771e-13 -1.47117856e-03 -1.47117856e-03] [-8.45777517e-04 -8.55537863e-13 -3.10589657e-03] [-8.45777518e-04 -3.41681544e-13 3.10589658e-03] [ 8.45777517e-04 -6.74741513e-13 -3.10589658e-03] [ 8.45777517e-04 -7.91398197e-14 3.10589658e-03] [-8.45777515e-04 -3.10589658e-03 5.72875081e-13] [ 8.45777515e-04 -3.10589658e-03 -1.74662368e-13] [-8.45777514e-04 3.10589658e-03 4.48075604e-13] [ 8.45777514e-04 3.10589658e-03 -2.52464716e-13] [ 5.10571620e-13 1.47117856e-03 1.47117856e-03] [ 8.02574587e-13 -1.47117856e-03 1.47117856e-03] [-1.24290769e-13 1.47117856e-03 -1.47117856e-03] [ 9.59362798e-14 -1.47117856e-03 -1.47117856e-03] [-8.45777516e-04 -1.43749053e-13 -3.10589658e-03] [-8.45777515e-04 -1.58210034e-13 3.10589658e-03] [ 8.45777515e-04 -4.68766519e-13 -3.10589658e-03] [ 8.45777515e-04 -1.42071684e-13 3.10589658e-03] [-8.45777517e-04 -3.10589658e-03 6.43899197e-13] [ 8.45777518e-04 -3.10589657e-03 -5.07504805e-14] [-8.45777516e-04 3.10589658e-03 5.66022740e-13] [ 8.45777516e-04 3.10589658e-03 4.69012416e-13]] Final stress: [-3.38541294e-04 5.85716759e-05 5.85716759e-05 3.09381734e-16 -4.19162349e-16 -4.05855608e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.05858867e-04 -1.03033033e-13 -6.85792569e-14] [-5.05858867e-04 -1.04999343e-13 -3.27515792e-15] [-6.14768653e-14 4.03239657e-03 6.12395221e-05] [ 3.48054918e-14 -4.03239657e-03 -6.12395219e-05] [ 6.71103798e-14 9.67979998e-05 5.43249216e-04] [-3.24740235e-14 -9.67979998e-05 -5.43249216e-04] [ 5.05858867e-04 -1.26352921e-14 -7.37406817e-14] [-5.05858867e-04 7.45362973e-14 -1.29178169e-13] [ 3.86622158e-14 4.03239657e-03 6.12395217e-05] [-1.29896094e-14 -4.03239657e-03 -6.12395220e-05] [-4.75704545e-14 9.67979998e-05 5.43249216e-04] [-1.18965168e-13 -9.67979998e-05 -5.43249216e-04] [ 3.42552625e-03 -7.56138253e-04 1.11441628e-03] [ 1.11413008e-03 6.47058632e-04 1.22957006e-03] [ 1.11413008e-03 -6.47058632e-04 -1.22957006e-03] [ 3.42552624e-03 7.56138253e-04 -1.11441628e-03] [-1.11413008e-03 -6.47058632e-04 -1.22957006e-03] [-3.42552624e-03 7.56138253e-04 -1.11441628e-03] [-1.11413008e-03 6.47058632e-04 1.22957006e-03] [-3.42552625e-03 -7.56138253e-04 1.11441628e-03] [ 3.42552624e-03 -7.56138253e-04 1.11441628e-03] [ 1.11413008e-03 6.47058632e-04 1.22957006e-03] [ 1.11413008e-03 -6.47058632e-04 -1.22957006e-03] [ 3.42552625e-03 7.56138253e-04 -1.11441628e-03] [-1.11413008e-03 -6.47058632e-04 -1.22957006e-03] [-3.42552625e-03 7.56138253e-04 -1.11441628e-03] [-1.11413008e-03 6.47058632e-04 1.22957006e-03] [-3.42552625e-03 -7.56138253e-04 1.11441628e-03] [ 2.50660603e-13 1.04527498e-13 3.05477865e-13] [ 9.36728993e-14 -1.44823986e-13 -6.67058359e-14] [-1.10356169e-13 4.68604821e-03 1.36128554e-03] [ 1.14687773e-13 6.51143933e-04 -3.95272191e-03] [-2.64416961e-13 -6.51143934e-04 3.95272191e-03] [-3.00728192e-13 -4.68604821e-03 -1.36128554e-03] [ 1.86497510e-03 1.84661424e-03 1.86799315e-03] [ 1.86497510e-03 -1.84661424e-03 -1.86799315e-03] [-1.86497510e-03 1.84661424e-03 1.86799315e-03] [-1.86497510e-03 -1.84661424e-03 -1.86799315e-03] [-1.30412691e-03 2.01177901e-03 1.83425188e-03] [ 1.30412691e-03 2.01177901e-03 1.83425188e-03] [-1.30412691e-03 -2.01177901e-03 -1.83425188e-03] [ 1.30412691e-03 -2.01177901e-03 -1.83425188e-03] [ 2.59078783e-13 4.68604821e-03 1.36128554e-03] [ 3.30123082e-13 6.51143934e-04 -3.95272191e-03] [ 1.30588682e-13 -6.51143933e-04 3.95272191e-03] [ 2.56294118e-13 -4.68604821e-03 -1.36128554e-03] [ 1.86497510e-03 1.84661424e-03 1.86799315e-03] [ 1.86497510e-03 -1.84661424e-03 -1.86799315e-03] [-1.86497510e-03 1.84661424e-03 1.86799315e-03] [-1.86497510e-03 -1.84661424e-03 -1.86799315e-03] [-1.30412691e-03 2.01177901e-03 1.83425188e-03] [ 1.30412691e-03 2.01177901e-03 1.83425188e-03] [-1.30412691e-03 -2.01177901e-03 -1.83425188e-03] [ 1.30412691e-03 -2.01177901e-03 -1.83425188e-03]] Final stress: [ 1.13118224e-04 -1.14286784e-04 1.13533477e-04 1.11124862e-04 3.32424976e-16 -7.31334948e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.05881102e-04 3.52083813e-14 4.53300592e-14] [-5.05881102e-04 1.87905247e-14 1.13464793e-13] [ 3.34723568e-14 4.03245030e-03 -6.12914489e-05] [ 9.80326931e-14 -4.03245030e-03 6.12914488e-05] [ 5.30552165e-14 -9.68500617e-05 5.43271981e-04] [ 8.30169267e-14 9.68500618e-05 -5.43271981e-04] [ 5.05881102e-04 -1.42792462e-13 6.60875177e-14] [-5.05881102e-04 4.73397363e-14 -1.09457515e-13] [-6.80358547e-15 4.03245030e-03 -6.12914493e-05] [-8.06537996e-14 -4.03245030e-03 6.12914490e-05] [ 1.84162581e-14 -9.68500616e-05 5.43271981e-04] [-4.77786213e-15 9.68500617e-05 -5.43271981e-04] [-1.11417883e-03 -6.47060300e-04 1.22958750e-03] [-3.42559047e-03 7.56159251e-04 1.11441494e-03] [-3.42559047e-03 -7.56159251e-04 -1.11441494e-03] [-1.11417883e-03 6.47060300e-04 -1.22958750e-03] [ 3.42559047e-03 -7.56159251e-04 -1.11441494e-03] [ 1.11417883e-03 6.47060300e-04 -1.22958750e-03] [ 3.42559047e-03 7.56159251e-04 1.11441494e-03] [ 1.11417883e-03 -6.47060300e-04 1.22958750e-03] [-1.11417883e-03 -6.47060300e-04 1.22958750e-03] [-3.42559047e-03 7.56159251e-04 1.11441494e-03] [-3.42559047e-03 -7.56159251e-04 -1.11441494e-03] [-1.11417883e-03 6.47060300e-04 -1.22958750e-03] [ 3.42559047e-03 -7.56159251e-04 -1.11441494e-03] [ 1.11417883e-03 6.47060300e-04 -1.22958750e-03] [ 3.42559047e-03 7.56159251e-04 1.11441494e-03] [ 1.11417883e-03 -6.47060300e-04 1.22958750e-03] [ 2.03947970e-13 7.23865412e-14 5.00433028e-13] [ 3.08124186e-13 -9.32627997e-14 8.41603635e-14] [-2.91766611e-13 -6.51041766e-04 -3.95287332e-03] [-2.19029656e-13 -4.68620011e-03 1.36118169e-03] [ 2.01137718e-13 4.68620011e-03 -1.36118169e-03] [-1.27467481e-13 6.51041767e-04 3.95287332e-03] [ 1.86497530e-03 -1.84662976e-03 1.86799322e-03] [ 1.86497530e-03 1.84662976e-03 -1.86799322e-03] [-1.86497530e-03 -1.84662976e-03 1.86799322e-03] [-1.86497530e-03 1.84662976e-03 -1.86799322e-03] [-1.30425463e-03 2.01190582e-03 -1.83426685e-03] [ 1.30425463e-03 2.01190582e-03 -1.83426685e-03] [-1.30425463e-03 -2.01190582e-03 1.83426685e-03] [ 1.30425463e-03 -2.01190582e-03 1.83426685e-03] [ 1.99085106e-13 -6.51041767e-04 -3.95287332e-03] [ 1.77755380e-13 -4.68620011e-03 1.36118169e-03] [ 1.27471818e-14 4.68620011e-03 -1.36118169e-03] [ 1.35772036e-13 6.51041766e-04 3.95287332e-03] [ 1.86497530e-03 -1.84662976e-03 1.86799322e-03] [ 1.86497530e-03 1.84662976e-03 -1.86799322e-03] [-1.86497530e-03 -1.84662976e-03 1.86799322e-03] [-1.86497530e-03 1.84662976e-03 -1.86799322e-03] [-1.30425463e-03 2.01190582e-03 -1.83426685e-03] [ 1.30425463e-03 2.01190582e-03 -1.83426685e-03] [-1.30425463e-03 -2.01190582e-03 1.83426685e-03] [ 1.30425463e-03 -2.01190582e-03 1.83426685e-03]] Final stress: [ 1.13118816e-04 -1.14288116e-04 1.13534077e-04 -1.11125376e-04 1.34632115e-16 -1.52915489e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.98410966e-04 1.00041503e-14 -4.49289043e-14] [ 4.98410966e-04 1.35252920e-13 -1.28785871e-13] [ 1.65596703e-13 -3.90486813e-03 3.62346295e-06] [ 2.87270208e-14 3.90486813e-03 -3.62346317e-06] [-8.38279099e-14 -2.38185684e-05 -4.62746288e-04] [-3.12527781e-14 2.38185684e-05 4.62746287e-04] [-4.98410966e-04 9.60386284e-15 -1.91596132e-15] [ 4.98410966e-04 -9.06596846e-14 1.01819068e-13] [ 5.90920542e-14 -3.90486813e-03 3.62346303e-06] [ 8.84574532e-14 3.90486813e-03 -3.62346314e-06] [-6.92432223e-14 -2.38185684e-05 -4.62746288e-04] [-4.50971725e-14 2.38185686e-05 4.62746288e-04] [ 1.09736833e-03 7.71568964e-04 -1.23045762e-03] [ 3.51261422e-03 -8.58464390e-04 -1.15102634e-03] [ 3.51261422e-03 8.58464389e-04 1.15102634e-03] [ 1.09736833e-03 -7.71568964e-04 1.23045762e-03] [-3.51261422e-03 8.58464389e-04 1.15102634e-03] [-1.09736833e-03 -7.71568964e-04 1.23045762e-03] [-3.51261422e-03 -8.58464390e-04 -1.15102634e-03] [-1.09736833e-03 7.71568964e-04 -1.23045762e-03] [ 1.09736833e-03 7.71568964e-04 -1.23045762e-03] [ 3.51261422e-03 -8.58464389e-04 -1.15102634e-03] [ 3.51261422e-03 8.58464389e-04 1.15102634e-03] [ 1.09736833e-03 -7.71568964e-04 1.23045762e-03] [-3.51261422e-03 8.58464389e-04 1.15102634e-03] [-1.09736833e-03 -7.71568964e-04 1.23045762e-03] [-3.51261422e-03 -8.58464389e-04 -1.15102634e-03] [-1.09736833e-03 7.71568964e-04 -1.23045762e-03] [ 3.70703468e-13 -1.01557651e-13 3.39450690e-13] [-4.51500816e-14 3.00462780e-14 1.41873248e-14] [ 1.55320201e-13 8.64858305e-04 4.14657323e-03] [ 2.89466368e-13 4.51266948e-03 -1.25024188e-03] [ 1.22561683e-13 -4.51266948e-03 1.25024188e-03] [ 1.71031592e-13 -8.64858305e-04 -4.14657323e-03] [-1.74960313e-03 1.79744372e-03 -1.74676623e-03] [-1.74960313e-03 -1.79744372e-03 1.74676623e-03] [ 1.74960313e-03 1.79744372e-03 -1.74676623e-03] [ 1.74960313e-03 -1.79744372e-03 1.74676623e-03] [ 1.44246980e-03 -1.82636676e-03 1.81037146e-03] [-1.44246980e-03 -1.82636676e-03 1.81037146e-03] [ 1.44246980e-03 1.82636676e-03 -1.81037146e-03] [-1.44246980e-03 1.82636676e-03 -1.81037146e-03] [-1.52746739e-14 8.64858305e-04 4.14657323e-03] [-4.65612791e-14 4.51266948e-03 -1.25024188e-03] [-2.63534854e-14 -4.51266948e-03 1.25024188e-03] [ 9.51062146e-14 -8.64858305e-04 -4.14657323e-03] [-1.74960313e-03 1.79744372e-03 -1.74676623e-03] [-1.74960313e-03 -1.79744372e-03 1.74676623e-03] [ 1.74960313e-03 1.79744372e-03 -1.74676623e-03] [ 1.74960313e-03 -1.79744372e-03 1.74676623e-03] [ 1.44246980e-03 -1.82636676e-03 1.81037146e-03] [-1.44246980e-03 -1.82636676e-03 1.81037146e-03] [ 1.44246980e-03 1.82636676e-03 -1.81037145e-03] [-1.44246980e-03 1.82636676e-03 -1.81037146e-03]] Final stress: [-1.16215786e-04 1.14544101e-04 -1.15893139e-04 1.11203962e-04 -1.11416757e-16 1.13079693e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.02758110e-04 4.00591019e-15 -4.38885039e-15] [ 5.02758110e-04 1.07941434e-13 5.73707748e-14] [ 6.07166227e-14 -3.91321279e-03 -1.07757798e-05] [ 1.49186219e-13 3.91321279e-03 1.07757800e-05] [-5.91918008e-14 1.66473021e-05 -4.67021853e-04] [-1.73500103e-13 -1.66473022e-05 4.67021853e-04] [-5.02758109e-04 -3.89605882e-14 -1.24356412e-13] [ 5.02758110e-04 -4.85874362e-14 -6.52296610e-15] [ 6.85246131e-14 -3.91321279e-03 -1.07757801e-05] [ 2.38823718e-14 3.91321279e-03 1.07757800e-05] [-1.51237529e-13 1.66473019e-05 -4.67021853e-04] [-4.63969141e-14 -1.66473019e-05 4.67021853e-04] [-3.52277007e-03 8.61690850e-04 -1.15124809e-03] [-1.10493829e-03 -7.72821680e-04 -1.23272764e-03] [-1.10493829e-03 7.72821680e-04 1.23272764e-03] [-3.52277007e-03 -8.61690850e-04 1.15124809e-03] [ 1.10493829e-03 7.72821680e-04 1.23272764e-03] [ 3.52277007e-03 -8.61690850e-04 1.15124809e-03] [ 1.10493829e-03 -7.72821680e-04 -1.23272764e-03] [ 3.52277007e-03 8.61690850e-04 -1.15124809e-03] [-3.52277007e-03 8.61690850e-04 -1.15124809e-03] [-1.10493829e-03 -7.72821680e-04 -1.23272764e-03] [-1.10493829e-03 7.72821680e-04 1.23272764e-03] [-3.52277007e-03 -8.61690850e-04 1.15124809e-03] [ 1.10493829e-03 7.72821680e-04 1.23272764e-03] [ 3.52277007e-03 -8.61690850e-04 1.15124809e-03] [ 1.10493829e-03 -7.72821680e-04 -1.23272764e-03] [ 3.52277007e-03 8.61690850e-04 -1.15124809e-03] [ 1.98424610e-13 1.24122934e-13 1.36279876e-13] [-1.09963254e-13 -7.25654513e-14 1.30125994e-13] [ 9.11493103e-14 -4.53510038e-03 -1.23528698e-03] [ 5.03590225e-14 -8.51047297e-04 4.17046716e-03] [ 1.45246662e-13 8.51047297e-04 -4.17046716e-03] [-8.02552469e-14 4.53510038e-03 1.23528698e-03] [-1.74926507e-03 -1.79880177e-03 -1.74644407e-03] [-1.74926507e-03 1.79880177e-03 1.74644407e-03] [ 1.74926507e-03 -1.79880177e-03 -1.74644407e-03] [ 1.74926508e-03 1.79880177e-03 1.74644407e-03] [ 1.46189113e-03 -1.84450325e-03 -1.81182027e-03] [-1.46189113e-03 -1.84450325e-03 -1.81182027e-03] [ 1.46189113e-03 1.84450325e-03 1.81182027e-03] [-1.46189113e-03 1.84450325e-03 1.81182027e-03] [ 4.50407940e-14 -4.53510038e-03 -1.23528698e-03] [-1.84675625e-13 -8.51047297e-04 4.17046716e-03] [ 1.11148070e-13 8.51047297e-04 -4.17046716e-03] [ 7.14792808e-15 4.53510038e-03 1.23528698e-03] [-1.74926508e-03 -1.79880177e-03 -1.74644407e-03] [-1.74926507e-03 1.79880177e-03 1.74644407e-03] [ 1.74926508e-03 -1.79880177e-03 -1.74644407e-03] [ 1.74926507e-03 1.79880177e-03 1.74644407e-03] [ 1.46189113e-03 -1.84450325e-03 -1.81182027e-03] [-1.46189113e-03 -1.84450325e-03 -1.81182027e-03] [ 1.46189113e-03 1.84450325e-03 1.81182027e-03] [-1.46189113e-03 1.84450325e-03 1.81182027e-03]] Final stress: [-1.16316097e-04 1.14744542e-04 -1.15992438e-04 -1.11276817e-04 -3.40902016e-16 -1.16405567e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.53074464e-04 -1.95513744e-13 -2.97983196e-06] [-5.53074465e-04 5.31241717e-14 2.97983194e-06] [ 1.11044420e-13 4.01764003e-03 1.20950125e-13] [ 8.44879722e-14 -4.01764003e-03 1.72778458e-13] [-2.97983199e-06 3.89801039e-14 5.53074464e-04] [ 2.97983206e-06 -5.48450174e-14 -5.53074465e-04] [ 5.53074464e-04 7.34304111e-14 -2.97983198e-06] [-5.53074464e-04 -3.81335588e-15 2.97983202e-06] [-2.67307877e-14 4.01764003e-03 -1.26757666e-13] [-1.70232752e-14 -4.01764003e-03 -8.22966327e-14] [-2.97983204e-06 -7.70470784e-14 5.53074464e-04] [ 2.97983176e-06 -1.18632238e-13 -5.53074464e-04] [ 1.13543881e-03 1.56048289e-03 1.13543881e-03] [-1.21840587e-03 3.00428151e-03 1.21840587e-03] [-1.13543881e-03 1.56048289e-03 -1.13543881e-03] [ 1.21840587e-03 3.00428151e-03 -1.21840587e-03] [ 1.21840587e-03 -3.00428151e-03 -1.21840587e-03] [-1.13543881e-03 -1.56048289e-03 -1.13543881e-03] [ 1.13543881e-03 -1.56048289e-03 1.13543881e-03] [-1.21840587e-03 -3.00428151e-03 1.21840587e-03] [ 1.13543881e-03 1.56048289e-03 1.13543881e-03] [-1.21840587e-03 3.00428151e-03 1.21840587e-03] [-1.13543881e-03 1.56048289e-03 -1.13543881e-03] [ 1.21840587e-03 3.00428151e-03 -1.21840587e-03] [ 1.21840587e-03 -3.00428151e-03 -1.21840587e-03] [-1.13543881e-03 -1.56048289e-03 -1.13543881e-03] [ 1.13543881e-03 -1.56048289e-03 1.13543881e-03] [-1.21840587e-03 -3.00428151e-03 1.21840587e-03] [ 3.97737399e-13 -2.10303996e-13 4.06785716e-13] [ 2.56784611e-13 -5.70305251e-14 1.23133032e-13] [ 1.82007266e-03 2.02612210e-03 -1.31469893e-03] [ 1.82007266e-03 -2.02612210e-03 -1.31469893e-03] [-1.82007266e-03 2.02612210e-03 1.31469893e-03] [-1.82007266e-03 -2.02612210e-03 1.31469893e-03] [ 4.52922445e-03 7.86037901e-14 4.52922445e-03] [-7.71392976e-04 2.57328880e-14 7.71392976e-04] [ 7.71392976e-04 2.84824248e-13 -7.71392976e-04] [-4.52922445e-03 9.87075005e-14 -4.52922445e-03] [-1.31469893e-03 2.02612210e-03 1.82007266e-03] [ 1.31469893e-03 2.02612210e-03 -1.82007266e-03] [-1.31469893e-03 -2.02612210e-03 1.82007266e-03] [ 1.31469893e-03 -2.02612210e-03 -1.82007266e-03] [ 1.82007266e-03 2.02612210e-03 -1.31469893e-03] [ 1.82007266e-03 -2.02612210e-03 -1.31469893e-03] [-1.82007266e-03 2.02612210e-03 1.31469893e-03] [-1.82007266e-03 -2.02612210e-03 1.31469893e-03] [ 4.52922445e-03 -9.06433346e-14 4.52922445e-03] [-7.71392976e-04 -6.79300366e-14 7.71392976e-04] [ 7.71392976e-04 -1.59761527e-13 -7.71392976e-04] [-4.52922445e-03 -8.71087057e-14 -4.52922445e-03] [-1.31469893e-03 2.02612210e-03 1.82007266e-03] [ 1.31469893e-03 2.02612210e-03 -1.82007266e-03] [-1.31469893e-03 -2.02612210e-03 1.82007266e-03] [ 1.31469893e-03 -2.02612210e-03 -1.82007266e-03]] Final stress: [ 1.13571831e-04 -1.15379462e-04 1.13571831e-04 -2.47656607e-16 1.11261498e-04 6.64849953e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.53074464e-04 -1.01555049e-13 2.97983209e-06] [-5.53074464e-04 -1.68504100e-13 -2.97983197e-06] [ 3.27403035e-14 4.01764003e-03 -3.30247982e-14] [-4.64905892e-14 -4.01764003e-03 4.51305660e-14] [ 2.97983198e-06 -9.15426589e-14 5.53074464e-04] [-2.97983198e-06 3.98292510e-14 -5.53074464e-04] [ 5.53074465e-04 -1.65636602e-13 2.97983212e-06] [-5.53074464e-04 7.69063632e-14 -2.97983204e-06] [-1.24548809e-14 4.01764003e-03 1.34585857e-13] [ 1.21594141e-13 -4.01764003e-03 3.87835127e-14] [ 2.97983214e-06 -6.35420712e-14 5.53074464e-04] [-2.97983197e-06 1.02199550e-13 -5.53074464e-04] [ 1.21840587e-03 -3.00428151e-03 1.21840587e-03] [-1.13543881e-03 -1.56048289e-03 1.13543881e-03] [-1.21840587e-03 -3.00428151e-03 -1.21840587e-03] [ 1.13543881e-03 -1.56048289e-03 -1.13543881e-03] [ 1.13543881e-03 1.56048289e-03 -1.13543881e-03] [-1.21840587e-03 3.00428151e-03 -1.21840587e-03] [ 1.21840587e-03 3.00428151e-03 1.21840587e-03] [-1.13543881e-03 1.56048289e-03 1.13543881e-03] [ 1.21840587e-03 -3.00428151e-03 1.21840586e-03] [-1.13543881e-03 -1.56048289e-03 1.13543881e-03] [-1.21840587e-03 -3.00428151e-03 -1.21840587e-03] [ 1.13543881e-03 -1.56048289e-03 -1.13543881e-03] [ 1.13543881e-03 1.56048289e-03 -1.13543881e-03] [-1.21840587e-03 3.00428151e-03 -1.21840587e-03] [ 1.21840587e-03 3.00428151e-03 1.21840586e-03] [-1.13543881e-03 1.56048289e-03 1.13543881e-03] [ 2.66953126e-13 -9.07329767e-14 2.92321722e-13] [-2.44785095e-13 -1.12103006e-13 3.14397184e-13] [-1.82007266e-03 2.02612210e-03 -1.31469893e-03] [-1.82007266e-03 -2.02612210e-03 -1.31469893e-03] [ 1.82007266e-03 2.02612210e-03 1.31469893e-03] [ 1.82007266e-03 -2.02612210e-03 1.31469893e-03] [-7.71392976e-04 -2.57460719e-13 -7.71392976e-04] [ 4.52922445e-03 -2.17652285e-13 -4.52922445e-03] [-4.52922445e-03 3.12458392e-14 4.52922445e-03] [ 7.71392976e-04 -4.82969567e-13 7.71392976e-04] [-1.31469893e-03 2.02612210e-03 -1.82007266e-03] [ 1.31469893e-03 2.02612210e-03 1.82007266e-03] [-1.31469893e-03 -2.02612210e-03 -1.82007266e-03] [ 1.31469893e-03 -2.02612210e-03 1.82007266e-03] [-1.82007266e-03 2.02612210e-03 -1.31469893e-03] [-1.82007266e-03 -2.02612210e-03 -1.31469893e-03] [ 1.82007266e-03 2.02612210e-03 1.31469893e-03] [ 1.82007266e-03 -2.02612210e-03 1.31469893e-03] [-7.71392976e-04 5.78361144e-14 -7.71392976e-04] [ 4.52922445e-03 -1.78248475e-13 -4.52922445e-03] [-4.52922445e-03 2.95349682e-14 4.52922445e-03] [ 7.71392977e-04 9.47384532e-14 7.71392976e-04] [-1.31469893e-03 2.02612210e-03 -1.82007266e-03] [ 1.31469893e-03 2.02612210e-03 1.82007266e-03] [-1.31469893e-03 -2.02612210e-03 -1.82007266e-03] [ 1.31469893e-03 -2.02612210e-03 1.82007266e-03]] Final stress: [ 1.13571831e-04 -1.15379462e-04 1.13571831e-04 -3.40735601e-16 -1.11261498e-04 -3.90599347e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.56556734e-04 -1.94137241e-14 7.77948689e-05] [ 4.56556733e-04 4.91551244e-14 -7.77948688e-05] [ 3.38427203e-14 -3.92952627e-03 1.01004274e-14] [ 5.68711744e-14 3.92952627e-03 -6.33937347e-14] [ 7.77948688e-05 7.18006384e-14 -4.56556734e-04] [-7.77948687e-05 1.49241730e-13 4.56556733e-04] [-4.56556734e-04 2.44478916e-14 7.77948686e-05] [ 4.56556733e-04 -1.08343022e-13 -7.77948685e-05] [-9.96598637e-16 -3.92952627e-03 3.23832495e-14] [ 1.02031231e-13 3.92952627e-03 1.26904439e-14] [ 7.77948685e-05 1.33360016e-14 -4.56556734e-04] [-7.77948688e-05 7.61748570e-14 4.56556733e-04] [-1.24440724e-03 3.09631425e-03 -1.24440724e-03] [ 1.12906036e-03 1.50389697e-03 -1.12906036e-03] [ 1.24440724e-03 3.09631425e-03 1.24440724e-03] [-1.12906036e-03 1.50389697e-03 1.12906036e-03] [-1.12906036e-03 -1.50389697e-03 1.12906036e-03] [ 1.24440724e-03 -3.09631425e-03 1.24440724e-03] [-1.24440724e-03 -3.09631425e-03 -1.24440724e-03] [ 1.12906036e-03 -1.50389697e-03 -1.12906036e-03] [-1.24440724e-03 3.09631425e-03 -1.24440724e-03] [ 1.12906036e-03 1.50389697e-03 -1.12906036e-03] [ 1.24440724e-03 3.09631425e-03 1.24440724e-03] [-1.12906036e-03 1.50389697e-03 1.12906036e-03] [-1.12906036e-03 -1.50389697e-03 1.12906036e-03] [ 1.24440724e-03 -3.09631425e-03 1.24440724e-03] [-1.24440724e-03 -3.09631425e-03 -1.24440724e-03] [ 1.12906036e-03 -1.50389697e-03 -1.12906036e-03] [ 1.40332190e-13 9.14823772e-14 1.81216153e-13] [ 3.81491713e-14 -4.11589484e-13 3.70869261e-13] [ 1.82326002e-03 -1.83767986e-03 1.45560829e-03] [ 1.82326002e-03 1.83767986e-03 1.45560829e-03] [-1.82326002e-03 -1.83767986e-03 -1.45560829e-03] [-1.82326002e-03 1.83767986e-03 -1.45560829e-03] [ 9.73534636e-04 -3.29958283e-13 9.73534636e-04] [-4.44038509e-03 5.45691964e-14 4.44038509e-03] [ 4.44038509e-03 2.58300326e-14 -4.44038509e-03] [-9.73534635e-04 1.77462212e-15 -9.73534636e-04] [ 1.45560829e-03 -1.83767986e-03 1.82326002e-03] [-1.45560829e-03 -1.83767986e-03 -1.82326002e-03] [ 1.45560829e-03 1.83767986e-03 1.82326002e-03] [-1.45560829e-03 1.83767986e-03 -1.82326002e-03] [ 1.82326002e-03 -1.83767986e-03 1.45560829e-03] [ 1.82326002e-03 1.83767986e-03 1.45560829e-03] [-1.82326002e-03 -1.83767986e-03 -1.45560829e-03] [-1.82326002e-03 1.83767986e-03 -1.45560829e-03] [ 9.73534636e-04 -7.58105417e-14 9.73534636e-04] [-4.44038509e-03 -7.08786328e-14 4.44038509e-03] [ 4.44038509e-03 -1.99964611e-13 -4.44038509e-03] [-9.73534636e-04 -1.07169915e-13 -9.73534636e-04] [ 1.45560829e-03 -1.83767986e-03 1.82326002e-03] [-1.45560829e-03 -1.83767986e-03 -1.82326002e-03] [ 1.45560829e-03 1.83767986e-03 1.82326002e-03] [-1.45560829e-03 1.83767986e-03 -1.82326002e-03]] Final stress: [-1.15724621e-04 1.13774393e-04 -1.15724621e-04 -8.81356432e-17 1.11093518e-04 -1.38023743e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.54986929e-04 2.58829416e-14 -7.33904000e-05] [ 4.54986929e-04 -6.47815135e-14 7.33904002e-05] [ 6.87861226e-14 -3.92542564e-03 5.02037648e-14] [ 9.55902024e-14 3.92542564e-03 -1.37112544e-14] [-7.33904002e-05 -9.50758569e-15 -4.54986929e-04] [ 7.33904003e-05 9.80604487e-14 4.54986929e-04] [-4.54986929e-04 2.43273283e-14 -7.33904003e-05] [ 4.54986929e-04 8.94722664e-14 7.33904003e-05] [ 7.91068600e-14 -3.92542564e-03 4.02521649e-14] [ 1.33916316e-14 3.92542564e-03 1.08816172e-13] [-7.33904005e-05 9.49541277e-14 -4.54986929e-04] [ 7.33904004e-05 -4.06444613e-14 4.54986929e-04] [-1.12929343e-03 -1.50031724e-03 -1.12929343e-03] [ 1.24289908e-03 -3.09068049e-03 -1.24289908e-03] [ 1.12929343e-03 -1.50031724e-03 1.12929343e-03] [-1.24289908e-03 -3.09068049e-03 1.24289908e-03] [-1.24289908e-03 3.09068049e-03 1.24289908e-03] [ 1.12929343e-03 1.50031724e-03 1.12929343e-03] [-1.12929343e-03 1.50031724e-03 -1.12929343e-03] [ 1.24289908e-03 3.09068049e-03 -1.24289908e-03] [-1.12929343e-03 -1.50031724e-03 -1.12929343e-03] [ 1.24289908e-03 -3.09068049e-03 -1.24289908e-03] [ 1.12929343e-03 -1.50031724e-03 1.12929343e-03] [-1.24289908e-03 -3.09068049e-03 1.24289908e-03] [-1.24289908e-03 3.09068049e-03 1.24289908e-03] [ 1.12929343e-03 1.50031724e-03 1.12929343e-03] [-1.12929343e-03 1.50031724e-03 -1.12929343e-03] [ 1.24289908e-03 3.09068049e-03 -1.24289908e-03] [ 7.88813459e-14 -2.34673392e-13 2.33035813e-13] [-2.90322887e-13 -2.17636830e-13 2.46750888e-13] [-1.82193311e-03 -1.82765046e-03 1.44505491e-03] [-1.82193311e-03 1.82765046e-03 1.44505491e-03] [ 1.82193311e-03 -1.82765046e-03 -1.44505491e-03] [ 1.82193311e-03 1.82765046e-03 -1.44505491e-03] [-4.43880557e-03 8.07132139e-14 -4.43880557e-03] [ 9.71340320e-04 -4.88133839e-14 -9.71340318e-04] [-9.71340319e-04 1.74565223e-14 9.71340318e-04] [ 4.43880557e-03 4.89244062e-14 4.43880557e-03] [ 1.44505491e-03 -1.82765046e-03 -1.82193311e-03] [-1.44505491e-03 -1.82765046e-03 1.82193311e-03] [ 1.44505491e-03 1.82765046e-03 -1.82193311e-03] [-1.44505491e-03 1.82765046e-03 1.82193311e-03] [-1.82193311e-03 -1.82765046e-03 1.44505491e-03] [-1.82193311e-03 1.82765046e-03 1.44505491e-03] [ 1.82193311e-03 -1.82765046e-03 -1.44505491e-03] [ 1.82193311e-03 1.82765046e-03 -1.44505491e-03] [-4.43880557e-03 -1.93851954e-13 -4.43880557e-03] [ 9.71340319e-04 -7.55346306e-14 -9.71340319e-04] [-9.71340319e-04 -1.20821755e-13 9.71340319e-04] [ 4.43880557e-03 -1.46545102e-14 4.43880557e-03] [ 1.44505491e-03 -1.82765046e-03 -1.82193311e-03] [-1.44505491e-03 -1.82765046e-03 1.82193311e-03] [ 1.44505491e-03 1.82765046e-03 -1.82193311e-03] [-1.44505491e-03 1.82765046e-03 1.82193311e-03]] Final stress: [-1.15673768e-04 1.13673181e-04 -1.15673768e-04 -3.32587333e-17 -1.11050058e-04 1.49664300e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.43454606e-04 9.72677098e-05 7.85886113e-14] [-5.43454605e-04 -9.72677098e-05 3.73034936e-14] [ 6.17080139e-05 4.03288131e-03 3.68169037e-14] [-6.17080138e-05 -4.03288131e-03 -1.67921232e-14] [-7.93701042e-14 -1.17102508e-14 5.06059473e-04] [-4.49362769e-14 -1.33781874e-14 -5.06059473e-04] [ 5.43454606e-04 9.72677097e-05 4.73616004e-14] [-5.43454606e-04 -9.72677098e-05 1.37777058e-14] [ 6.17080138e-05 4.03288131e-03 -7.16835445e-14] [-6.17080140e-05 -4.03288131e-03 -1.25010466e-14] [ 6.30225039e-15 -2.54541447e-14 5.06059473e-04] [ 9.26927805e-14 -6.51818695e-14 -5.06059473e-04] [ 1.11440420e-03 -7.56327702e-04 3.42610571e-03] [-1.11440420e-03 7.56327701e-04 3.42610571e-03] [-1.22972744e-03 -6.47073682e-04 1.11456993e-03] [ 1.22972744e-03 6.47073682e-04 1.11456993e-03] [ 1.11440420e-03 -7.56327701e-04 -3.42610571e-03] [-1.11440420e-03 7.56327701e-04 -3.42610571e-03] [ 1.22972744e-03 6.47073682e-04 -1.11456993e-03] [-1.22972744e-03 -6.47073682e-04 -1.11456993e-03] [ 1.11440420e-03 -7.56327701e-04 3.42610571e-03] [-1.11440420e-03 7.56327701e-04 3.42610571e-03] [-1.22972744e-03 -6.47073682e-04 1.11456993e-03] [ 1.22972744e-03 6.47073682e-04 1.11456993e-03] [ 1.11440420e-03 -7.56327701e-04 -3.42610571e-03] [-1.11440420e-03 7.56327701e-04 -3.42610571e-03] [ 1.22972744e-03 6.47073682e-04 -1.11456993e-03] [-1.22972744e-03 -6.47073682e-04 -1.11456993e-03] [-1.64451786e-13 1.27647892e-13 1.03722586e-13] [ 7.60671907e-14 -1.29632887e-16 8.54833120e-15] [ 1.83438696e-03 2.01292306e-03 -1.30527918e-03] [-1.83438696e-03 -2.01292306e-03 -1.30527918e-03] [ 1.83438696e-03 2.01292306e-03 1.30527918e-03] [-1.83438696e-03 -2.01292306e-03 1.30527918e-03] [ 1.86799381e-03 1.84675421e-03 1.86497692e-03] [ 1.86799381e-03 1.84675421e-03 -1.86497692e-03] [-1.86799381e-03 -1.84675421e-03 1.86497692e-03] [-1.86799381e-03 -1.84675421e-03 -1.86497692e-03] [ 1.36034854e-03 4.68741870e-03 2.81552559e-13] [ 3.95408794e-03 -6.50222167e-04 2.49314458e-14] [-3.95408794e-03 6.50222167e-04 5.73915915e-14] [-1.36034854e-03 -4.68741870e-03 -8.33465241e-14] [ 1.83438696e-03 2.01292306e-03 -1.30527918e-03] [-1.83438696e-03 -2.01292306e-03 -1.30527918e-03] [ 1.83438696e-03 2.01292306e-03 1.30527918e-03] [-1.83438696e-03 -2.01292306e-03 1.30527918e-03] [ 1.86799381e-03 1.84675421e-03 1.86497692e-03] [ 1.86799381e-03 1.84675421e-03 -1.86497692e-03] [-1.86799381e-03 -1.84675421e-03 1.86497692e-03] [-1.86799381e-03 -1.84675421e-03 -1.86497692e-03] [ 1.36034854e-03 4.68741870e-03 8.69607890e-15] [ 3.95408794e-03 -6.50222168e-04 1.85564627e-13] [-3.95408794e-03 6.50222168e-04 7.77383766e-14] [-1.36034854e-03 -4.68741870e-03 6.02313338e-14]] Final stress: [ 1.13538894e-04 -1.14298799e-04 1.13123566e-04 1.57901864e-16 -1.87820112e-16 1.11129497e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.43568769e-04 -9.75287924e-05 -1.39350337e-14] [-5.43568770e-04 9.75287925e-05 -1.34614542e-14] [-6.19684193e-05 4.03315075e-03 -1.58072340e-14] [ 6.19684194e-05 -4.03315075e-03 -9.29534227e-14] [ 1.67522246e-13 -1.45945322e-13 5.06170977e-04] [ 1.97342143e-13 -1.31727962e-13 -5.06170977e-04] [ 5.43568769e-04 -9.75287922e-05 3.79465072e-14] [-5.43568770e-04 9.75287924e-05 -8.17634634e-14] [-6.19684196e-05 4.03315075e-03 1.22128419e-14] [ 6.19684195e-05 -4.03315075e-03 -2.53135574e-14] [-9.16705947e-14 1.77231710e-13 5.06170977e-04] [-1.18208828e-13 1.26138405e-13 -5.06170978e-04] [ 1.22981493e-03 -6.47082047e-04 -1.11481441e-03] [-1.22981493e-03 6.47082047e-04 -1.11481441e-03] [-1.11439749e-03 -7.56433004e-04 -3.42642780e-03] [ 1.11439749e-03 7.56433003e-04 -3.42642780e-03] [ 1.22981493e-03 -6.47082047e-04 1.11481441e-03] [-1.22981493e-03 6.47082047e-04 1.11481441e-03] [ 1.11439749e-03 7.56433004e-04 3.42642780e-03] [-1.11439749e-03 -7.56433004e-04 3.42642780e-03] [ 1.22981493e-03 -6.47082047e-04 -1.11481441e-03] [-1.22981493e-03 6.47082047e-04 -1.11481441e-03] [-1.11439749e-03 -7.56433003e-04 -3.42642780e-03] [ 1.11439749e-03 7.56433004e-04 -3.42642780e-03] [ 1.22981493e-03 -6.47082047e-04 1.11481442e-03] [-1.22981493e-03 6.47082047e-04 1.11481442e-03] [ 1.11439749e-03 7.56433004e-04 3.42642780e-03] [-1.11439749e-03 -7.56433003e-04 3.42642780e-03] [ 4.82919260e-13 -8.15097989e-13 -3.60156349e-13] [-1.71525554e-13 1.17242936e-13 -4.51260792e-14] [-1.83446204e-03 2.01355896e-03 -1.30591965e-03] [ 1.83446204e-03 -2.01355896e-03 -1.30591965e-03] [-1.83446204e-03 2.01355896e-03 1.30591965e-03] [ 1.83446204e-03 -2.01355896e-03 1.30591965e-03] [ 1.86799418e-03 -1.84683201e-03 1.86497793e-03] [ 1.86799418e-03 -1.84683201e-03 -1.86497793e-03] [-1.86799418e-03 1.84683201e-03 1.86497793e-03] [-1.86799418e-03 1.84683201e-03 -1.86497793e-03] [-3.95484723e-03 -6.49709815e-04 1.46438417e-13] [-1.35982772e-03 4.68818048e-03 -2.62533051e-14] [ 1.35982772e-03 -4.68818048e-03 6.39037434e-14] [ 3.95484723e-03 6.49709815e-04 1.06080075e-13] [-1.83446204e-03 2.01355896e-03 -1.30591965e-03] [ 1.83446204e-03 -2.01355896e-03 -1.30591965e-03] [-1.83446204e-03 2.01355896e-03 1.30591965e-03] [ 1.83446204e-03 -2.01355896e-03 1.30591965e-03] [ 1.86799418e-03 -1.84683201e-03 1.86497793e-03] [ 1.86799418e-03 -1.84683201e-03 -1.86497793e-03] [-1.86799418e-03 1.84683201e-03 1.86497793e-03] [-1.86799418e-03 1.84683201e-03 -1.86497793e-03] [-3.95484723e-03 -6.49709815e-04 -4.78507283e-14] [-1.35982772e-03 4.68818048e-03 -1.38718918e-13] [ 1.35982772e-03 -4.68818048e-03 -2.43184684e-13] [ 3.95484723e-03 6.49709814e-04 -6.05674365e-14]] Final stress: [ 1.13541904e-04 -1.14305477e-04 1.13126536e-04 2.77574855e-16 8.64304939e-17 -1.11132074e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.65538340e-04 -1.91149575e-05 1.04978526e-13] [ 4.65538340e-04 1.91149578e-05 -6.93889390e-16] [ 8.31443824e-06 -3.91028329e-03 -4.34305369e-14] [-8.31443810e-06 3.91028329e-03 5.14865928e-14] [ 1.16827555e-13 2.71033196e-14 -5.01249506e-04] [ 1.22735155e-13 4.36317649e-14 5.01249506e-04] [-4.65538340e-04 -1.91149575e-05 -2.35973984e-14] [ 4.65538340e-04 1.91149572e-05 1.04993642e-14] [ 8.31443792e-06 -3.91028329e-03 1.81904906e-14] [-8.31443811e-06 3.91028329e-03 -1.12304813e-14] [-1.96558481e-13 3.07420102e-14 -5.01249506e-04] [-1.44301238e-13 1.74455344e-14 5.01249506e-04] [-1.23193931e-03 7.72372709e-04 1.10231217e-03] [ 1.23193931e-03 -7.72372709e-04 1.10231217e-03] [ 1.15115645e-03 8.60570772e-04 3.51923113e-03] [-1.15115645e-03 -8.60570771e-04 3.51923113e-03] [-1.23193931e-03 7.72372709e-04 -1.10231217e-03] [ 1.23193931e-03 -7.72372709e-04 -1.10231217e-03] [-1.15115645e-03 -8.60570772e-04 -3.51923113e-03] [ 1.15115645e-03 8.60570772e-04 -3.51923113e-03] [-1.23193931e-03 7.72372709e-04 1.10231217e-03] [ 1.23193931e-03 -7.72372709e-04 1.10231217e-03] [ 1.15115645e-03 8.60570772e-04 3.51923113e-03] [-1.15115645e-03 -8.60570772e-04 3.51923113e-03] [-1.23193931e-03 7.72372709e-04 -1.10231217e-03] [ 1.23193931e-03 -7.72372709e-04 -1.10231217e-03] [-1.15115645e-03 -8.60570772e-04 -3.51923113e-03] [ 1.15115645e-03 8.60570772e-04 -3.51923113e-03] [ 4.17360591e-13 -2.32758257e-13 1.99840144e-13] [ 1.42500161e-13 9.22818474e-14 -1.84739174e-14] [ 1.81130929e-03 -1.83803788e-03 1.45499247e-03] [-1.81130929e-03 1.83803788e-03 1.45499247e-03] [ 1.81130929e-03 -1.83803788e-03 -1.45499247e-03] [-1.81130929e-03 1.83803788e-03 -1.45499247e-03] [-1.74655645e-03 1.79832308e-03 -1.74938308e-03] [-1.74655645e-03 1.79832308e-03 1.74938308e-03] [ 1.74655645e-03 -1.79832308e-03 -1.74938308e-03] [ 1.74655645e-03 -1.79832308e-03 1.74938308e-03] [ 4.16199506e-03 8.55991655e-04 1.50324198e-13] [ 1.24061429e-03 -4.52712492e-03 2.60845165e-13] [-1.24061429e-03 4.52712492e-03 -1.75727488e-14] [-4.16199506e-03 -8.55991654e-04 1.26097049e-14] [ 1.81130929e-03 -1.83803788e-03 1.45499247e-03] [-1.81130929e-03 1.83803788e-03 1.45499247e-03] [ 1.81130929e-03 -1.83803788e-03 -1.45499247e-03] [-1.81130929e-03 1.83803788e-03 -1.45499247e-03] [-1.74655645e-03 1.79832308e-03 -1.74938308e-03] [-1.74655645e-03 1.79832308e-03 1.74938308e-03] [ 1.74655645e-03 -1.79832308e-03 -1.74938308e-03] [ 1.74655645e-03 -1.79832308e-03 1.74938308e-03] [ 4.16199506e-03 8.55991654e-04 -2.23097402e-14] [ 1.24061429e-03 -4.52712492e-03 -9.61977317e-14] [-1.24061429e-03 4.52712492e-03 3.37560129e-13] [-4.16199505e-03 -8.55991655e-04 -2.48351686e-14]] Final stress: [-1.15957572e-04 1.14673729e-04 -1.16280876e-04 -1.66293666e-18 1.33034933e-17 1.11251747e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.67285623e-04 1.34048549e-05 2.88844469e-14] [ 4.67285623e-04 -1.34048549e-05 -2.26207941e-14] [-1.39997561e-05 -3.91511283e-03 3.10385398e-14] [ 1.39997562e-05 3.91511283e-03 -7.47735207e-14] [-3.60475538e-14 -3.76296216e-14 -5.03046970e-04] [-7.09154957e-14 -6.43096687e-14 5.03046970e-04] [-4.67285623e-04 1.34048548e-05 -4.57987363e-14] [ 4.67285623e-04 -1.34048547e-05 2.24902380e-14] [-1.39997561e-05 -3.91511283e-03 -2.21651133e-14] [ 1.39997561e-05 3.91511283e-03 3.56825218e-14] [-1.35213021e-13 -3.59723124e-14 -5.03046970e-04] [-7.66587314e-14 -1.03263328e-13 5.03046970e-04] [-1.15062772e-03 8.63070977e-04 -3.52583657e-03] [ 1.15062772e-03 -8.63070977e-04 -3.52583657e-03] [ 1.23397858e-03 7.72371004e-04 -1.10733722e-03] [-1.23397858e-03 -7.72371004e-04 -1.10733722e-03] [-1.15062772e-03 8.63070977e-04 3.52583657e-03] [ 1.15062772e-03 -8.63070977e-04 3.52583657e-03] [-1.23397858e-03 -7.72371004e-04 1.10733722e-03] [ 1.23397858e-03 7.72371004e-04 1.10733722e-03] [-1.15062772e-03 8.63070977e-04 -3.52583657e-03] [ 1.15062772e-03 -8.63070977e-04 -3.52583657e-03] [ 1.23397858e-03 7.72371004e-04 -1.10733722e-03] [-1.23397858e-03 -7.72371004e-04 -1.10733722e-03] [-1.15062772e-03 8.63070977e-04 3.52583657e-03] [ 1.15062772e-03 -8.63070977e-04 3.52583657e-03] [-1.23397858e-03 -7.72371004e-04 1.10733722e-03] [ 1.23397858e-03 7.72371004e-04 1.10733722e-03] [ 2.19990692e-13 -5.53307400e-13 2.86937141e-13] [-2.13913522e-13 -4.09643704e-13 -9.96734062e-14] [-1.81317749e-03 -1.84997561e-03 1.46761886e-03] [ 1.81317749e-03 1.84997561e-03 1.46761886e-03] [-1.81317749e-03 -1.84997561e-03 -1.46761886e-03] [ 1.81317749e-03 1.84997561e-03 -1.46761886e-03] [-1.74613939e-03 -1.80014556e-03 -1.74895232e-03] [-1.74613939e-03 -1.80014556e-03 1.74895231e-03] [ 1.74613939e-03 1.80014556e-03 -1.74895232e-03] [ 1.74613939e-03 1.80014556e-03 1.74895231e-03] [-1.23004601e-03 -4.54101713e-03 -9.91429161e-14] [-4.17667704e-03 8.46029232e-04 -1.89924465e-13] [ 4.17667704e-03 -8.46029232e-04 9.19576915e-14] [ 1.23004601e-03 4.54101713e-03 1.37400508e-13] [-1.81317749e-03 -1.84997561e-03 1.46761886e-03] [ 1.81317749e-03 1.84997561e-03 1.46761886e-03] [-1.81317749e-03 -1.84997561e-03 -1.46761886e-03] [ 1.81317749e-03 1.84997561e-03 -1.46761886e-03] [-1.74613939e-03 -1.80014556e-03 -1.74895232e-03] [-1.74613939e-03 -1.80014556e-03 1.74895232e-03] [ 1.74613939e-03 1.80014556e-03 -1.74895231e-03] [ 1.74613939e-03 1.80014556e-03 1.74895232e-03] [-1.23004601e-03 -4.54101713e-03 1.32860402e-13] [-4.17667704e-03 8.46029233e-04 1.83388610e-13] [ 4.17667704e-03 -8.46029233e-04 4.11574190e-14] [ 1.23004601e-03 4.54101713e-03 1.37364078e-14]] Final stress: [-1.16019640e-04 1.14793659e-04 -1.16343515e-04 1.69619540e-16 6.98433399e-17 -1.11310838e-04] Minimization converged after 25 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.06081826e-04 -8.97558937e-14 5.12498030e-14] [-5.06081826e-04 -6.10067552e-14 1.30256916e-13] [-2.37457623e-14 5.43477492e-04 9.73200492e-05] [-1.27287070e-13 -5.43477492e-04 -9.73200490e-05] [-6.99986943e-14 6.17602174e-05 4.03293533e-03] [-1.24927846e-13 -6.17602174e-05 -4.03293533e-03] [ 5.06081827e-04 -3.67505505e-14 -9.48916489e-14] [-5.06081826e-04 -9.87881651e-14 -1.18632111e-13] [-1.41718234e-14 5.43477492e-04 9.73200490e-05] [-4.71601924e-14 -5.43477492e-04 -9.73200491e-05] [-8.63454273e-14 6.17602173e-05 4.03293533e-03] [-4.69750107e-14 -6.17602174e-05 -4.03293533e-03] [ 3.42617028e-03 1.11440286e-03 -7.56348811e-04] [ 1.11461894e-03 -1.22974498e-03 -6.47075359e-04] [ 1.11461894e-03 1.22974498e-03 6.47075359e-04] [ 3.42617028e-03 -1.11440286e-03 7.56348812e-04] [-1.11461894e-03 1.22974498e-03 6.47075359e-04] [-3.42617028e-03 -1.11440286e-03 7.56348812e-04] [-1.11461894e-03 -1.22974498e-03 -6.47075359e-04] [-3.42617028e-03 1.11440286e-03 -7.56348811e-04] [ 3.42617028e-03 1.11440286e-03 -7.56348812e-04] [ 1.11461894e-03 -1.22974498e-03 -6.47075359e-04] [ 1.11461894e-03 1.22974498e-03 6.47075359e-04] [ 3.42617028e-03 -1.11440286e-03 7.56348811e-04] [-1.11461894e-03 1.22974498e-03 6.47075359e-04] [-3.42617028e-03 -1.11440286e-03 7.56348811e-04] [-1.11461894e-03 -1.22974498e-03 -6.47075359e-04] [-3.42617028e-03 1.11440286e-03 -7.56348812e-04] [-7.54396545e-14 -2.67313949e-13 1.58900670e-13] [-1.15957157e-13 -2.70830178e-14 -5.78296745e-14] [-5.34017275e-14 1.36024413e-03 4.68757142e-03] [-9.50385604e-14 3.95424016e-03 -6.50119456e-04] [ 1.78733764e-13 -3.95424016e-03 6.50119456e-04] [-7.38090145e-14 -1.36024413e-03 -4.68757142e-03] [-1.30540758e-03 1.83440201e-03 2.01305054e-03] [-1.30540758e-03 -1.83440201e-03 -2.01305054e-03] [ 1.30540758e-03 1.83440201e-03 2.01305054e-03] [ 1.30540758e-03 -1.83440201e-03 -2.01305054e-03] [ 1.86497712e-03 1.86799389e-03 1.84676981e-03] [-1.86497712e-03 1.86799389e-03 1.84676981e-03] [ 1.86497712e-03 -1.86799389e-03 -1.84676981e-03] [-1.86497712e-03 -1.86799389e-03 -1.84676981e-03] [-1.92177003e-14 1.36024413e-03 4.68757142e-03] [ 4.11879732e-14 3.95424016e-03 -6.50119456e-04] [ 1.48240361e-13 -3.95424016e-03 6.50119457e-04] [ 7.64718150e-14 -1.36024413e-03 -4.68757142e-03] [-1.30540758e-03 1.83440201e-03 2.01305054e-03] [-1.30540758e-03 -1.83440201e-03 -2.01305054e-03] [ 1.30540758e-03 1.83440201e-03 2.01305054e-03] [ 1.30540758e-03 -1.83440201e-03 -2.01305054e-03] [ 1.86497712e-03 1.86799388e-03 1.84676981e-03] [-1.86497712e-03 1.86799388e-03 1.84676981e-03] [ 1.86497712e-03 -1.86799388e-03 -1.84676981e-03] [-1.86497712e-03 -1.86799388e-03 -1.84676981e-03]] Final stress: [ 1.13124162e-04 1.13539497e-04 -1.14300137e-04 1.11130014e-04 -9.14168685e-17 1.09700242e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.06504708e-04 -6.01346230e-14 -8.24787287e-14] [-5.06504709e-04 -2.82551760e-14 -1.00280895e-13] [-2.58972531e-14 5.43910460e-04 -9.83102076e-05] [-3.14748227e-14 -5.43910461e-04 9.83102075e-05] [-1.46876001e-13 -6.27478080e-05 4.03395717e-03] [ 8.21565038e-15 6.27478079e-05 -4.03395717e-03] [ 5.06504708e-04 -1.92220372e-14 1.13631846e-13] [-5.06504708e-04 -9.00750828e-14 -1.18572545e-13] [ 2.52189762e-14 5.43910461e-04 -9.83102072e-05] [-5.48172618e-15 -5.43910460e-04 9.83102075e-05] [-6.31222505e-15 -6.27478080e-05 4.03395717e-03] [ 9.40736204e-14 6.27478081e-05 -4.03395717e-03] [-1.11554615e-03 1.23007675e-03 -6.47107081e-04] [-3.42739181e-03 -1.11437739e-03 -7.56748170e-04] [-3.42739181e-03 1.11437739e-03 7.56748169e-04] [-1.11554615e-03 -1.23007675e-03 6.47107081e-04] [ 3.42739181e-03 1.11437739e-03 7.56748170e-04] [ 1.11554615e-03 -1.23007675e-03 6.47107081e-04] [ 3.42739181e-03 -1.11437739e-03 -7.56748170e-04] [ 1.11554616e-03 1.23007675e-03 -6.47107081e-04] [-1.11554615e-03 1.23007675e-03 -6.47107082e-04] [-3.42739181e-03 -1.11437739e-03 -7.56748170e-04] [-3.42739181e-03 1.11437739e-03 7.56748170e-04] [-1.11554615e-03 -1.23007675e-03 6.47107081e-04] [ 3.42739181e-03 1.11437739e-03 7.56748170e-04] [ 1.11554615e-03 -1.23007675e-03 6.47107081e-04] [ 3.42739181e-03 -1.11437739e-03 -7.56748170e-04] [ 1.11554615e-03 1.23007676e-03 -6.47107082e-04] [ 2.65648614e-13 1.04249942e-13 4.21884749e-15] [ 1.26070595e-13 -5.14519955e-13 -2.11288136e-13] [-4.83502127e-13 -3.95711976e-03 -6.48176354e-04] [-4.08607176e-13 -1.35826892e-03 4.69046045e-03] [ 8.01424899e-14 1.35826892e-03 -4.69046045e-03] [ 1.83445273e-13 3.95711976e-03 6.48176354e-04] [-1.30783657e-03 -1.83468675e-03 2.01546221e-03] [-1.30783657e-03 1.83468675e-03 -2.01546221e-03] [ 1.30783657e-03 -1.83468675e-03 2.01546221e-03] [ 1.30783657e-03 1.83468675e-03 -2.01546221e-03] [ 1.86498097e-03 1.86799529e-03 -1.84706486e-03] [-1.86498097e-03 1.86799529e-03 -1.84706486e-03] [ 1.86498097e-03 -1.86799529e-03 1.84706486e-03] [-1.86498097e-03 -1.86799529e-03 1.84706486e-03] [ 1.90087529e-13 -3.95711976e-03 -6.48176355e-04] [ 2.47882010e-13 -1.35826892e-03 4.69046045e-03] [-1.28122339e-13 1.35826892e-03 -4.69046045e-03] [-3.81365946e-14 3.95711976e-03 6.48176354e-04] [-1.30783657e-03 -1.83468675e-03 2.01546221e-03] [-1.30783657e-03 1.83468675e-03 -2.01546221e-03] [ 1.30783657e-03 -1.83468675e-03 2.01546221e-03] [ 1.30783657e-03 1.83468675e-03 -2.01546221e-03] [ 1.86498097e-03 1.86799529e-03 -1.84706486e-03] [-1.86498097e-03 1.86799529e-03 -1.84706486e-03] [ 1.86498097e-03 -1.86799529e-03 1.84706486e-03] [-1.86498097e-03 -1.86799529e-03 1.84706486e-03]] Final stress: [ 1.13135423e-04 1.13550915e-04 -1.14325464e-04 -1.11139785e-04 -1.26321491e-16 -9.97274929e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.00652988e-04 -8.20541551e-14 5.87524820e-14] [ 5.00652988e-04 -6.20337115e-14 7.83539900e-14] [ 1.56619075e-13 -4.64950264e-04 -2.01586126e-05] [ 1.00974784e-13 4.64950264e-04 2.01586126e-05] [ 1.29611166e-13 7.27443194e-06 -3.90930965e-03] [ 5.76483306e-14 -7.27443181e-06 3.90930965e-03] [-5.00652988e-04 -4.95688560e-14 -1.21823934e-13] [ 5.00652988e-04 -1.78312226e-14 -6.58813053e-14] [-4.83176867e-14 -4.64950264e-04 -2.01586126e-05] [-8.18598661e-14 4.64950264e-04 2.01586126e-05] [-1.18008901e-13 7.27443198e-06 -3.90930965e-03] [-5.39325529e-15 -7.27443196e-06 3.90930965e-03] [ 1.10129379e-03 -1.23164549e-03 7.72258312e-04] [ 3.51793576e-03 1.15118503e-03 8.60145162e-04] [ 3.51793576e-03 -1.15118503e-03 -8.60145162e-04] [ 1.10129379e-03 1.23164549e-03 -7.72258312e-04] [-3.51793576e-03 -1.15118503e-03 -8.60145162e-04] [-1.10129379e-03 1.23164549e-03 -7.72258312e-04] [-3.51793576e-03 1.15118503e-03 8.60145162e-04] [-1.10129379e-03 -1.23164549e-03 7.72258313e-04] [ 1.10129379e-03 -1.23164549e-03 7.72258313e-04] [ 3.51793576e-03 1.15118503e-03 8.60145162e-04] [ 3.51793576e-03 -1.15118503e-03 -8.60145162e-04] [ 1.10129379e-03 1.23164549e-03 -7.72258313e-04] [-3.51793576e-03 -1.15118503e-03 -8.60145162e-04] [-1.10129379e-03 1.23164549e-03 -7.72258312e-04] [-3.51793576e-03 1.15118503e-03 8.60145162e-04] [-1.10129379e-03 -1.23164549e-03 7.72258313e-04] [ 2.25153229e-13 -2.11997087e-13 3.50636187e-13] [ 7.02203053e-14 -4.07915185e-14 -1.72800990e-13] [ 4.23439062e-13 4.15958667e-03 8.57155291e-04] [ 2.45591741e-13 1.24199694e-03 -4.52496570e-03] [ 2.86916324e-13 -1.24199694e-03 4.52496570e-03] [ 3.83811039e-13 -4.15958667e-03 -8.57155291e-04] [ 1.45309752e-03 1.81116528e-03 -1.83637469e-03] [ 1.45309752e-03 -1.81116528e-03 1.83637469e-03] [-1.45309752e-03 1.81116528e-03 -1.83637469e-03] [-1.45309751e-03 -1.81116528e-03 1.83637469e-03] [-1.74942463e-03 -1.74659640e-03 1.79818784e-03] [ 1.74942463e-03 -1.74659640e-03 1.79818784e-03] [-1.74942463e-03 1.74659640e-03 -1.79818784e-03] [ 1.74942463e-03 1.74659640e-03 -1.79818784e-03] [-8.06225746e-14 4.15958667e-03 8.57155290e-04] [ 3.21834573e-15 1.24199694e-03 -4.52496570e-03] [ 5.77723633e-14 -1.24199694e-03 4.52496570e-03] [-7.42027967e-16 -4.15958668e-03 -8.57155289e-04] [ 1.45309751e-03 1.81116528e-03 -1.83637469e-03] [ 1.45309751e-03 -1.81116528e-03 1.83637469e-03] [-1.45309751e-03 1.81116528e-03 -1.83637469e-03] [-1.45309752e-03 -1.81116528e-03 1.83637469e-03] [-1.74942463e-03 -1.74659640e-03 1.79818784e-03] [ 1.74942463e-03 -1.74659640e-03 1.79818784e-03] [-1.74942463e-03 1.74659640e-03 -1.79818784e-03] [ 1.74942463e-03 1.74659640e-03 -1.79818784e-03]] Final stress: [-1.16269238e-04 -1.15946056e-04 1.14652453e-04 1.11241156e-04 -6.15286566e-17 1.72945413e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.01341824e-04 -7.57879003e-14 -3.93092676e-14] [ 5.01341824e-04 -5.59829960e-14 -5.68711744e-14] [ 1.38627391e-13 -4.65609753e-04 1.72191742e-05] [ 5.49005286e-14 4.65609753e-04 -1.72191743e-05] [ 2.59393201e-14 -1.02014246e-05 -3.91203182e-03] [ 1.19015908e-13 1.02014242e-05 3.91203182e-03] [-5.01341823e-04 5.17524391e-14 -5.88643857e-14] [ 5.01341824e-04 -6.75327849e-14 -1.91053122e-14] [-5.97603564e-14 -4.65609754e-04 1.72191744e-05] [-3.26774198e-14 4.65609753e-04 -1.72191744e-05] [ 9.60733229e-15 -1.02014243e-05 -3.91203182e-03] [-7.68274333e-14 1.02014244e-05 3.91203182e-03] [-3.52149504e-03 -1.15092431e-03 8.61526550e-04] [-1.10388920e-03 1.23283034e-03 7.72228583e-04] [-1.10388920e-03 -1.23283034e-03 -7.72228583e-04] [-3.52149504e-03 1.15092431e-03 -8.61526550e-04] [ 1.10388920e-03 -1.23283034e-03 -7.72228583e-04] [ 3.52149504e-03 1.15092431e-03 -8.61526550e-04] [ 1.10388920e-03 1.23283034e-03 7.72228583e-04] [ 3.52149504e-03 -1.15092431e-03 8.61526550e-04] [-3.52149504e-03 -1.15092431e-03 8.61526550e-04] [-1.10388920e-03 1.23283034e-03 7.72228583e-04] [-1.10388920e-03 -1.23283034e-03 -7.72228583e-04] [-3.52149504e-03 1.15092431e-03 -8.61526550e-04] [ 1.10388920e-03 -1.23283034e-03 -7.72228583e-04] [ 3.52149504e-03 1.15092431e-03 -8.61526550e-04] [ 1.10388920e-03 1.23283034e-03 7.72228583e-04] [ 3.52149504e-03 -1.15092431e-03 8.61526550e-04] [ 1.28896893e-13 -8.39328607e-14 -1.38777878e-14] [-1.65164323e-13 -8.08147791e-14 4.80994521e-14] [-1.08801856e-13 -1.23487509e-03 -4.53404943e-03] [ 1.45328194e-13 -4.16891470e-03 8.50156896e-04] [ 1.58564134e-13 4.16891470e-03 -8.50156897e-04] [ 2.10392467e-13 1.23487509e-03 4.53404943e-03] [ 1.46132410e-03 -1.81243101e-03 -1.84442197e-03] [ 1.46132410e-03 1.81243101e-03 1.84442197e-03] [-1.46132410e-03 -1.81243101e-03 -1.84442197e-03] [-1.46132410e-03 1.81243101e-03 1.84442197e-03] [-1.74915298e-03 -1.74633378e-03 -1.79942438e-03] [ 1.74915298e-03 -1.74633378e-03 -1.79942438e-03] [-1.74915298e-03 1.74633378e-03 1.79942438e-03] [ 1.74915298e-03 1.74633378e-03 1.79942438e-03] [-7.53026114e-14 -1.23487509e-03 -4.53404943e-03] [-4.07785784e-14 -4.16891470e-03 8.50156896e-04] [ 2.68173071e-13 4.16891470e-03 -8.50156896e-04] [-7.53472805e-14 1.23487509e-03 4.53404943e-03] [ 1.46132409e-03 -1.81243101e-03 -1.84442197e-03] [ 1.46132409e-03 1.81243101e-03 1.84442197e-03] [-1.46132410e-03 -1.81243101e-03 -1.84442197e-03] [-1.46132409e-03 1.81243101e-03 1.84442197e-03] [-1.74915298e-03 -1.74633378e-03 -1.79942438e-03] [ 1.74915298e-03 -1.74633378e-03 -1.79942438e-03] [-1.74915298e-03 1.74633378e-03 1.79942438e-03] [ 1.74915298e-03 1.74633378e-03 1.79942438e-03]] Final stress: [-1.16305372e-04 -1.15981882e-04 1.14725806e-04 -1.11271815e-04 5.32139733e-17 2.14518830e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.43317638e-04 -6.80618756e-15 9.69544766e-05] [-5.43317638e-04 -3.38062911e-14 -9.69544763e-05] [ 9.28892380e-14 5.05925696e-04 3.98066996e-14] [ 2.02254880e-13 -5.05925695e-04 -1.66533454e-16] [ 6.13955928e-05 -6.41292575e-14 4.03255806e-03] [-6.13955927e-05 6.80289158e-14 -4.03255806e-03] [ 5.43317638e-04 7.18318634e-14 9.69544763e-05] [-5.43317638e-04 -7.47965058e-14 -9.69544763e-05] [ 4.76667317e-14 5.05925696e-04 -4.90656019e-14] [ 3.77237304e-14 -5.05925696e-04 -6.62188316e-14] [ 6.13955929e-05 -7.95200391e-14 4.03255806e-03] [-6.13955928e-05 -1.95934481e-14 -4.03255806e-03] [ 1.11441226e-03 3.42571929e-03 -7.56201365e-04] [-1.22962249e-03 1.11427661e-03 -6.47063646e-04] [-1.11441226e-03 3.42571929e-03 7.56201365e-04] [ 1.22962249e-03 1.11427661e-03 6.47063646e-04] [ 1.22962249e-03 -1.11427661e-03 6.47063646e-04] [-1.11441226e-03 -3.42571929e-03 7.56201365e-04] [ 1.11441226e-03 -3.42571929e-03 -7.56201365e-04] [-1.22962249e-03 -1.11427661e-03 -6.47063646e-04] [ 1.11441226e-03 3.42571929e-03 -7.56201365e-04] [-1.22962249e-03 1.11427661e-03 -6.47063646e-04] [-1.11441226e-03 3.42571929e-03 7.56201365e-04] [ 1.22962249e-03 1.11427661e-03 6.47063646e-04] [ 1.22962249e-03 -1.11427661e-03 6.47063646e-04] [-1.11441226e-03 -3.42571929e-03 7.56201365e-04] [ 1.11441226e-03 -3.42571929e-03 -7.56201365e-04] [-1.22962249e-03 -1.11427661e-03 -6.47063646e-04] [ 4.30322444e-13 -1.38750123e-13 -6.38655795e-14] [-8.95516300e-14 7.50058924e-14 1.82641497e-13] [ 1.83429688e-03 -1.30451077e-03 2.01216013e-03] [ 1.83429688e-03 1.30451077e-03 2.01216013e-03] [-1.83429688e-03 -1.30451077e-03 -2.01216013e-03] [-1.83429688e-03 1.30451077e-03 -2.01216013e-03] [ 1.36097339e-03 2.53019827e-13 4.68650477e-03] [-3.95317698e-03 2.29047684e-13 6.50836861e-04] [ 3.95317698e-03 4.17669371e-14 -6.50836861e-04] [-1.36097339e-03 -8.25711027e-14 -4.68650477e-03] [ 1.86799337e-03 1.86497570e-03 1.84666087e-03] [-1.86799337e-03 1.86497571e-03 -1.84666087e-03] [ 1.86799337e-03 -1.86497570e-03 1.84666087e-03] [-1.86799337e-03 -1.86497570e-03 -1.84666087e-03] [ 1.83429688e-03 -1.30451077e-03 2.01216013e-03] [ 1.83429688e-03 1.30451077e-03 2.01216013e-03] [-1.83429688e-03 -1.30451077e-03 -2.01216013e-03] [-1.83429688e-03 1.30451077e-03 -2.01216013e-03] [ 1.36097339e-03 -1.28162507e-13 4.68650477e-03] [-3.95317698e-03 -2.13180168e-13 6.50836862e-04] [ 3.95317698e-03 8.05718339e-14 -6.50836862e-04] [-1.36097339e-03 -1.98526091e-14 -4.68650477e-03] [ 1.86799337e-03 1.86497570e-03 1.84666087e-03] [-1.86799337e-03 1.86497571e-03 -1.84666087e-03] [ 1.86799337e-03 -1.86497570e-03 1.84666087e-03] [-1.86799337e-03 -1.86497571e-03 -1.84666087e-03]] Final stress: [ 1.13535281e-04 1.13120004e-04 -1.14290787e-04 -6.14986206e-17 1.11126406e-04 -8.97547436e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.43614439e-04 7.13461408e-14 -9.76332357e-05] [-5.43614440e-04 2.10942375e-15 9.76332360e-05] [ 8.35572930e-14 5.06215584e-04 2.14888871e-15] [ 3.51385587e-14 -5.06215583e-04 -3.06143999e-14] [-6.20725917e-05 1.22921638e-13 4.03325854e-03] [ 6.20725918e-05 1.55236934e-13 -4.03325854e-03] [ 5.43614439e-04 -2.15500361e-14 -9.76332360e-05] [-5.43614440e-04 -4.16836704e-14 9.76332356e-05] [-6.35932279e-14 5.06215584e-04 -1.49901665e-15] [-8.63428253e-14 -5.06215584e-04 -5.74866495e-14] [-6.20725922e-05 7.24048626e-14 4.03325854e-03] [ 6.20725919e-05 8.03468435e-14 -4.03325854e-03] [ 1.22984992e-03 -1.11491222e-03 -6.47085393e-04] [-1.11439480e-03 -3.42655665e-03 -7.56475129e-04] [-1.22984992e-03 -1.11491222e-03 6.47085393e-04] [ 1.11439480e-03 -3.42655665e-03 7.56475129e-04] [ 1.11439480e-03 3.42655665e-03 7.56475129e-04] [-1.22984992e-03 1.11491222e-03 6.47085393e-04] [ 1.22984992e-03 1.11491222e-03 -6.47085393e-04] [-1.11439480e-03 3.42655665e-03 -7.56475129e-04] [ 1.22984992e-03 -1.11491222e-03 -6.47085393e-04] [-1.11439480e-03 -3.42655665e-03 -7.56475129e-04] [-1.22984992e-03 -1.11491222e-03 6.47085393e-04] [ 1.11439480e-03 -3.42655665e-03 7.56475129e-04] [ 1.11439480e-03 3.42655665e-03 7.56475129e-04] [-1.22984992e-03 1.11491222e-03 6.47085393e-04] [ 1.22984992e-03 1.11491222e-03 -6.47085393e-04] [-1.11439480e-03 3.42655665e-03 -7.56475129e-04] [ 3.83415522e-13 -1.64979141e-13 -9.63673585e-14] [-4.14468806e-15 2.03413946e-13 -9.28345511e-14] [-1.83449207e-03 -1.30617587e-03 2.01381335e-03] [-1.83449207e-03 1.30617587e-03 2.01381335e-03] [ 1.83449207e-03 -1.30617587e-03 -2.01381335e-03] [ 1.83449207e-03 1.30617587e-03 -2.01381335e-03] [-3.95515098e-03 -9.88098492e-14 -6.49504854e-04] [ 1.35961937e-03 1.76702403e-13 -4.68848522e-03] [-1.35961937e-03 8.39363301e-14 4.68848522e-03] [ 3.95515098e-03 6.52082555e-14 6.49504854e-04] [ 1.86799433e-03 1.86497834e-03 -1.84686313e-03] [-1.86799433e-03 1.86497834e-03 1.84686313e-03] [ 1.86799433e-03 -1.86497834e-03 -1.84686313e-03] [-1.86799433e-03 -1.86497834e-03 1.84686313e-03] [-1.83449207e-03 -1.30617587e-03 2.01381335e-03] [-1.83449207e-03 1.30617587e-03 2.01381335e-03] [ 1.83449207e-03 -1.30617587e-03 -2.01381335e-03] [ 1.83449207e-03 1.30617587e-03 -2.01381335e-03] [-3.95515098e-03 -8.98430079e-14 -6.49504854e-04] [ 1.35961937e-03 7.96827881e-14 -4.68848522e-03] [-1.35961937e-03 -1.31240505e-14 4.68848522e-03] [ 3.95515098e-03 -1.89146008e-13 6.49504853e-04] [ 1.86799433e-03 1.86497834e-03 -1.84686313e-03] [-1.86799433e-03 1.86497834e-03 1.84686313e-03] [ 1.86799433e-03 -1.86497834e-03 -1.84686313e-03] [-1.86799433e-03 -1.86497834e-03 1.84686313e-03]] Final stress: [ 1.13543109e-04 1.13127724e-04 -1.14308148e-04 2.42670233e-16 -1.11133104e-04 5.65122460e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.67305550e-04 -6.14916104e-15 -1.40954270e-05] [ 4.67305550e-04 -9.24260668e-15 1.40954269e-05] [-7.42253481e-14 -5.03064246e-04 6.34106483e-14] [-1.22957200e-14 5.03064246e-04 4.17443857e-14] [ 1.33144587e-05 -7.00065006e-14 -3.91505541e-03] [-1.33144588e-05 3.16968674e-14 3.91505541e-03] [-4.67305551e-04 -6.63770254e-14 -1.40954270e-05] [ 4.67305550e-04 -2.92387642e-15 1.40954271e-05] [-2.72655162e-14 -5.03064246e-04 -1.31294547e-13] [ 2.96750471e-14 5.03064246e-04 -7.44656422e-14] [ 1.33144585e-05 9.90321864e-14 -3.91505541e-03] [-1.33144586e-05 6.88611242e-14 3.91505541e-03] [-1.23375498e-03 1.10695362e-03 7.72574394e-04] [ 1.15085230e-03 3.52544869e-03 8.62835380e-04] [ 1.23375498e-03 1.10695362e-03 -7.72574395e-04] [-1.15085230e-03 3.52544869e-03 -8.62835379e-04] [-1.15085230e-03 -3.52544869e-03 -8.62835380e-04] [ 1.23375498e-03 -1.10695362e-03 -7.72574395e-04] [-1.23375498e-03 -1.10695362e-03 7.72574395e-04] [ 1.15085230e-03 -3.52544869e-03 8.62835380e-04] [-1.23375498e-03 1.10695362e-03 7.72574395e-04] [ 1.15085230e-03 3.52544869e-03 8.62835380e-04] [ 1.23375498e-03 1.10695362e-03 -7.72574395e-04] [-1.15085230e-03 3.52544869e-03 -8.62835380e-04] [-1.15085230e-03 -3.52544869e-03 -8.62835380e-04] [ 1.23375498e-03 -1.10695362e-03 -7.72574395e-04] [-1.23375498e-03 -1.10695362e-03 7.72574395e-04] [ 1.15085230e-03 -3.52544869e-03 8.62835380e-04] [-1.97009076e-13 8.32667268e-17 3.42781359e-13] [ 1.69266077e-13 -3.70515600e-15 1.68955540e-13] [ 1.81296121e-03 1.46766506e-03 -1.85012790e-03] [ 1.81296121e-03 -1.46766506e-03 -1.85012790e-03] [-1.81296121e-03 1.46766506e-03 1.85012790e-03] [-1.81296121e-03 -1.46766506e-03 1.85012790e-03] [ 4.17682767e-03 -4.97601960e-13 8.45976786e-04] [-1.23010340e-03 -2.91105681e-13 4.54126999e-03] [ 1.23010340e-03 -6.73246181e-15 -4.54126999e-03] [-4.17682767e-03 -3.75578041e-13 -8.45976786e-04] [-1.74619798e-03 -1.74901171e-03 1.79992588e-03] [ 1.74619798e-03 -1.74901170e-03 -1.79992588e-03] [-1.74619798e-03 1.74901170e-03 1.79992588e-03] [ 1.74619798e-03 1.74901170e-03 -1.79992588e-03] [ 1.81296121e-03 1.46766506e-03 -1.85012790e-03] [ 1.81296121e-03 -1.46766506e-03 -1.85012790e-03] [-1.81296121e-03 1.46766506e-03 1.85012790e-03] [-1.81296121e-03 -1.46766506e-03 1.85012790e-03] [ 4.17682767e-03 7.51660455e-14 8.45976786e-04] [-1.23010340e-03 3.73733162e-14 4.54126999e-03] [ 1.23010340e-03 -1.59449710e-13 -4.54126999e-03] [-4.17682767e-03 2.33167652e-13 -8.45976786e-04] [-1.74619798e-03 -1.74901170e-03 1.79992588e-03] [ 1.74619798e-03 -1.74901170e-03 -1.79992588e-03] [-1.74619798e-03 1.74901171e-03 1.79992588e-03] [ 1.74619798e-03 1.74901171e-03 -1.79992588e-03]] Final stress: [-1.16017987e-04 -1.16341852e-04 1.14794200e-04 3.65846066e-17 1.11303587e-04 -3.40902016e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.66220185e-04 1.56667214e-13 1.88281080e-05] [ 4.66220185e-04 -1.69309011e-15 -1.88281078e-05] [ 2.31928192e-14 -5.01940556e-04 7.40865702e-14] [-5.73430192e-14 5.01940556e-04 3.43891582e-14] [-8.60508672e-06 3.93782229e-15 -3.91164382e-03] [ 8.60508671e-06 -6.66133815e-16 3.91164382e-03] [-4.66220186e-04 -5.47578476e-14 1.88281080e-05] [ 4.66220185e-04 1.96082733e-13 -1.88281080e-05] [ 1.09490108e-13 -5.01940555e-04 2.90035030e-14] [-1.12773072e-13 5.01940556e-04 -1.45126277e-14] [-8.60508660e-06 4.37388114e-14 -3.91164382e-03] [ 8.60508684e-06 -2.47429580e-14 3.91164382e-03] [-1.15148924e-03 -3.52044397e-03 8.60818843e-04] [ 1.23205398e-03 -1.10306794e-03 7.72839335e-04] [ 1.15148924e-03 -3.52044397e-03 -8.60818843e-04] [-1.23205398e-03 -1.10306794e-03 -7.72839335e-04] [-1.23205398e-03 1.10306794e-03 -7.72839335e-04] [ 1.15148924e-03 3.52044397e-03 -8.60818843e-04] [-1.15148924e-03 3.52044397e-03 8.60818843e-04] [ 1.23205398e-03 1.10306794e-03 7.72839335e-04] [-1.15148924e-03 -3.52044397e-03 8.60818843e-04] [ 1.23205398e-03 -1.10306794e-03 7.72839335e-04] [ 1.15148924e-03 -3.52044397e-03 -8.60818843e-04] [-1.23205398e-03 -1.10306794e-03 -7.72839335e-04] [-1.23205398e-03 1.10306794e-03 -7.72839335e-04] [ 1.15148924e-03 3.52044397e-03 -8.60818843e-04] [-1.15148924e-03 3.52044397e-03 8.60818843e-04] [ 1.23205398e-03 1.10306794e-03 7.72839334e-04] [ 8.12960810e-14 -2.38697950e-14 1.65728542e-13] [ 2.65070084e-14 -7.80023474e-14 1.44210432e-14] [-1.81133498e-03 1.45864241e-03 -1.84165183e-03] [-1.81133498e-03 -1.45864241e-03 -1.84165183e-03] [ 1.81133498e-03 1.45864241e-03 1.84165183e-03] [ 1.81133498e-03 -1.45864241e-03 1.84165183e-03] [-1.23785078e-03 -2.78888024e-13 -4.53158963e-03] [ 4.16653312e-03 -5.37249065e-13 -8.53233029e-04] [-4.16653312e-03 3.55517699e-13 8.53233029e-04] [ 1.23785078e-03 1.81261256e-14 4.53158963e-03] [-1.74657042e-03 -1.74939506e-03 -1.79832802e-03] [ 1.74657042e-03 -1.74939506e-03 1.79832802e-03] [-1.74657042e-03 1.74939506e-03 -1.79832802e-03] [ 1.74657042e-03 1.74939506e-03 1.79832802e-03] [-1.81133498e-03 1.45864241e-03 -1.84165183e-03] [-1.81133498e-03 -1.45864241e-03 -1.84165183e-03] [ 1.81133498e-03 1.45864241e-03 1.84165183e-03] [ 1.81133498e-03 -1.45864241e-03 1.84165183e-03] [-1.23785078e-03 2.51196089e-13 -4.53158963e-03] [ 4.16653312e-03 2.77398113e-13 -8.53233028e-04] [-4.16653312e-03 -2.03981797e-14 8.53233028e-04] [ 1.23785078e-03 5.77866748e-14 4.53158963e-03] [-1.74657042e-03 -1.74939505e-03 -1.79832802e-03] [ 1.74657043e-03 -1.74939505e-03 1.79832802e-03] [-1.74657042e-03 1.74939506e-03 -1.79832802e-03] [ 1.74657042e-03 1.74939506e-03 1.79832802e-03]] Final stress: [-1.15972716e-04 -1.16296180e-04 1.14710243e-04 3.47553763e-16 -1.11254406e-04 4.32363533e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.53074464e-04 -2.97983205e-06 -1.54589883e-13] [-5.53074464e-04 2.97983208e-06 -4.54636329e-14] [-2.97983209e-06 5.53074464e-04 -1.30192732e-13] [ 2.97983211e-06 -5.53074464e-04 7.57727214e-15] [-6.16355925e-14 -6.23520333e-14 4.01764003e-03] [-1.06081810e-13 -1.45689016e-13 -4.01764003e-03] [ 5.53074464e-04 -2.97983220e-06 1.03284523e-13] [-5.53074464e-04 2.97983198e-06 8.57493643e-15] [-2.97983232e-06 5.53074464e-04 1.09299970e-14] [ 2.97983205e-06 -5.53074464e-04 3.54514575e-14] [-6.94041179e-14 9.66066316e-14 4.01764003e-03] [ 1.14665222e-14 -3.53397879e-14 -4.01764003e-03] [ 1.13543881e-03 1.13543881e-03 1.56048289e-03] [-1.13543881e-03 -1.13543881e-03 1.56048289e-03] [-1.21840586e-03 1.21840587e-03 3.00428151e-03] [ 1.21840587e-03 -1.21840586e-03 3.00428151e-03] [ 1.13543881e-03 1.13543881e-03 -1.56048289e-03] [-1.13543881e-03 -1.13543881e-03 -1.56048289e-03] [ 1.21840587e-03 -1.21840586e-03 -3.00428151e-03] [-1.21840587e-03 1.21840587e-03 -3.00428151e-03] [ 1.13543881e-03 1.13543881e-03 1.56048289e-03] [-1.13543881e-03 -1.13543881e-03 1.56048289e-03] [-1.21840587e-03 1.21840587e-03 3.00428151e-03] [ 1.21840587e-03 -1.21840587e-03 3.00428151e-03] [ 1.13543881e-03 1.13543881e-03 -1.56048289e-03] [-1.13543881e-03 -1.13543881e-03 -1.56048289e-03] [ 1.21840587e-03 -1.21840587e-03 -3.00428151e-03] [-1.21840587e-03 1.21840587e-03 -3.00428151e-03] [-2.61651811e-13 -4.66182648e-13 -1.61676228e-13] [ 1.59257156e-13 1.99934720e-13 -1.69138032e-13] [ 1.82007266e-03 -1.31469893e-03 2.02612210e-03] [-1.82007266e-03 1.31469893e-03 2.02612210e-03] [ 1.82007266e-03 -1.31469893e-03 -2.02612210e-03] [-1.82007266e-03 1.31469893e-03 -2.02612210e-03] [-1.31469893e-03 1.82007266e-03 2.02612210e-03] [-1.31469893e-03 1.82007266e-03 -2.02612210e-03] [ 1.31469893e-03 -1.82007266e-03 2.02612210e-03] [ 1.31469893e-03 -1.82007266e-03 -2.02612210e-03] [ 4.52922445e-03 4.52922445e-03 2.83661983e-13] [ 7.71392976e-04 -7.71392976e-04 -4.15101981e-14] [-7.71392977e-04 7.71392976e-04 9.76926873e-14] [-4.52922445e-03 -4.52922445e-03 -3.87342936e-13] [ 1.82007266e-03 -1.31469893e-03 2.02612210e-03] [-1.82007266e-03 1.31469893e-03 2.02612210e-03] [ 1.82007266e-03 -1.31469893e-03 -2.02612210e-03] [-1.82007266e-03 1.31469893e-03 -2.02612210e-03] [-1.31469893e-03 1.82007266e-03 2.02612210e-03] [-1.31469893e-03 1.82007266e-03 -2.02612210e-03] [ 1.31469893e-03 -1.82007266e-03 2.02612210e-03] [ 1.31469893e-03 -1.82007266e-03 -2.02612210e-03] [ 4.52922445e-03 4.52922445e-03 -2.93923132e-14] [ 7.71392977e-04 -7.71392976e-04 -4.41184090e-14] [-7.71392976e-04 7.71392977e-04 -7.82967610e-14] [-4.52922445e-03 -4.52922445e-03 -1.11214857e-13]] Final stress: [ 1.13571831e-04 1.13571831e-04 -1.15379462e-04 7.64577446e-17 3.65667474e-17 1.11261498e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 5.53074464e-04 2.97983211e-06 1.90169061e-15] [-5.53074465e-04 -2.97983226e-06 2.88380431e-14] [ 2.97983214e-06 5.53074464e-04 2.02711112e-14] [-2.97983217e-06 -5.53074464e-04 8.59312621e-14] [ 5.40721981e-14 8.69725299e-14 4.01764003e-03] [ 5.15976151e-14 4.71844785e-14 -4.01764003e-03] [ 5.53074464e-04 2.97983210e-06 2.16978056e-14] [-5.53074464e-04 -2.97983209e-06 -1.96040064e-14] [ 2.97983195e-06 5.53074464e-04 -1.27603953e-13] [-2.97983210e-06 -5.53074464e-04 1.55991717e-14] [-1.89667292e-13 -3.82340159e-14 4.01764003e-03] [-1.53771960e-13 -6.12371599e-14 -4.01764003e-03] [ 1.21840587e-03 1.21840587e-03 -3.00428151e-03] [-1.21840587e-03 -1.21840586e-03 -3.00428151e-03] [-1.13543881e-03 1.13543881e-03 -1.56048289e-03] [ 1.13543881e-03 -1.13543881e-03 -1.56048289e-03] [ 1.21840587e-03 1.21840587e-03 3.00428151e-03] [-1.21840586e-03 -1.21840587e-03 3.00428151e-03] [ 1.13543881e-03 -1.13543881e-03 1.56048289e-03] [-1.13543881e-03 1.13543881e-03 1.56048289e-03] [ 1.21840587e-03 1.21840587e-03 -3.00428151e-03] [-1.21840587e-03 -1.21840587e-03 -3.00428151e-03] [-1.13543881e-03 1.13543881e-03 -1.56048289e-03] [ 1.13543881e-03 -1.13543881e-03 -1.56048289e-03] [ 1.21840587e-03 1.21840587e-03 3.00428151e-03] [-1.21840587e-03 -1.21840587e-03 3.00428151e-03] [ 1.13543881e-03 -1.13543881e-03 1.56048289e-03] [-1.13543881e-03 1.13543881e-03 1.56048289e-03] [ 4.36012337e-13 2.78471690e-13 1.09190434e-13] [-3.91429944e-13 -1.91687288e-13 1.12963024e-13] [-1.82007266e-03 -1.31469893e-03 2.02612210e-03] [ 1.82007266e-03 1.31469893e-03 2.02612210e-03] [-1.82007266e-03 -1.31469893e-03 -2.02612210e-03] [ 1.82007266e-03 1.31469893e-03 -2.02612210e-03] [-1.31469893e-03 -1.82007266e-03 2.02612210e-03] [-1.31469893e-03 -1.82007266e-03 -2.02612210e-03] [ 1.31469893e-03 1.82007266e-03 2.02612210e-03] [ 1.31469893e-03 1.82007266e-03 -2.02612210e-03] [-7.71392976e-04 -7.71392976e-04 2.19713137e-13] [-4.52922445e-03 4.52922445e-03 3.40645914e-13] [ 4.52922445e-03 -4.52922445e-03 5.83422199e-13] [ 7.71392976e-04 7.71392976e-04 3.92791702e-13] [-1.82007266e-03 -1.31469893e-03 2.02612210e-03] [ 1.82007266e-03 1.31469893e-03 2.02612210e-03] [-1.82007266e-03 -1.31469893e-03 -2.02612210e-03] [ 1.82007266e-03 1.31469893e-03 -2.02612210e-03] [-1.31469893e-03 -1.82007266e-03 2.02612210e-03] [-1.31469893e-03 -1.82007266e-03 -2.02612210e-03] [ 1.31469893e-03 1.82007266e-03 2.02612210e-03] [ 1.31469893e-03 1.82007266e-03 -2.02612210e-03] [-7.71392976e-04 -7.71392977e-04 -1.61362606e-13] [-4.52922445e-03 4.52922445e-03 -9.18139940e-14] [ 4.52922445e-03 -4.52922445e-03 -2.43550006e-13] [ 7.71392976e-04 7.71392976e-04 -2.59798693e-13]] Final stress: [ 1.13571831e-04 1.13571831e-04 -1.15379462e-04 -3.62343224e-16 -3.15803728e-17 -1.11261498e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.57025006e-04 7.90974907e-05 -1.52924114e-13] [ 4.57025006e-04 -7.90974906e-05 2.67008637e-13] [ 7.90974909e-05 -4.57025006e-04 4.48092084e-14] [-7.90974905e-05 4.57025007e-04 -1.87072580e-14] [-7.77052034e-14 -2.58907479e-15 -3.93074301e-03] [-7.33857419e-14 8.14626144e-14 3.93074301e-03] [-4.57025007e-04 7.90974905e-05 -7.13651238e-14] [ 4.57025007e-04 -7.90974906e-05 -1.54726464e-13] [ 7.90974904e-05 -4.57025006e-04 -2.03810772e-14] [-7.90974905e-05 4.57025007e-04 -2.23840499e-14] [-9.14303355e-14 -1.01297898e-15 -3.93074301e-03] [ 2.28254915e-14 4.56547932e-14 3.93074301e-03] [-1.24485259e-03 -1.24485259e-03 3.09798436e-03] [ 1.24485259e-03 1.24485259e-03 3.09798436e-03] [ 1.12899307e-03 -1.12899307e-03 1.50495720e-03] [-1.12899307e-03 1.12899307e-03 1.50495720e-03] [-1.24485259e-03 -1.24485259e-03 -3.09798436e-03] [ 1.24485259e-03 1.24485259e-03 -3.09798436e-03] [-1.12899307e-03 1.12899307e-03 -1.50495720e-03] [ 1.12899307e-03 -1.12899307e-03 -1.50495720e-03] [-1.24485259e-03 -1.24485259e-03 3.09798436e-03] [ 1.24485259e-03 1.24485259e-03 3.09798436e-03] [ 1.12899307e-03 -1.12899307e-03 1.50495720e-03] [-1.12899307e-03 1.12899307e-03 1.50495720e-03] [-1.24485259e-03 -1.24485259e-03 -3.09798436e-03] [ 1.24485259e-03 1.24485259e-03 -3.09798436e-03] [-1.12899307e-03 1.12899307e-03 -1.50495720e-03] [ 1.12899307e-03 -1.12899307e-03 -1.50495720e-03] [ 9.94204719e-14 -4.32959224e-13 2.14273044e-13] [-7.91259419e-14 4.80061442e-14 -2.23570906e-13] [ 1.82365049e-03 1.45873490e-03 -1.84065058e-03] [-1.82365049e-03 -1.45873490e-03 -1.84065058e-03] [ 1.82365049e-03 1.45873490e-03 1.84065058e-03] [-1.82365048e-03 -1.45873490e-03 1.84065058e-03] [ 1.45873490e-03 1.82365049e-03 -1.84065058e-03] [ 1.45873490e-03 1.82365049e-03 1.84065058e-03] [-1.45873490e-03 -1.82365049e-03 -1.84065058e-03] [-1.45873490e-03 -1.82365049e-03 1.84065058e-03] [ 9.74186704e-04 9.74186704e-04 2.89435143e-13] [ 4.44085602e-03 -4.44085602e-03 -6.16725421e-13] [-4.44085602e-03 4.44085602e-03 8.41424153e-13] [-9.74186704e-04 -9.74186705e-04 -5.61561214e-13] [ 1.82365049e-03 1.45873490e-03 -1.84065058e-03] [-1.82365049e-03 -1.45873490e-03 -1.84065058e-03] [ 1.82365049e-03 1.45873490e-03 1.84065058e-03] [-1.82365049e-03 -1.45873490e-03 1.84065058e-03] [ 1.45873490e-03 1.82365049e-03 -1.84065058e-03] [ 1.45873490e-03 1.82365049e-03 1.84065058e-03] [-1.45873490e-03 -1.82365049e-03 -1.84065058e-03] [-1.45873490e-03 -1.82365049e-03 1.84065058e-03] [ 9.74186705e-04 9.74186705e-04 1.09864856e-13] [ 4.44085602e-03 -4.44085602e-03 1.78086678e-13] [-4.44085602e-03 4.44085602e-03 -4.61296583e-14] [-9.74186706e-04 -9.74186703e-04 7.94494678e-14]] Final stress: [-1.15739697e-04 -1.15739697e-04 1.13804406e-04 -4.82251633e-17 -3.00991536e-16 1.11106367e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.55241226e-04 -7.38854212e-05 3.85477240e-14] [ 4.55241225e-04 7.38854212e-05 8.79574191e-14] [-7.38854211e-05 -4.55241225e-04 -1.11618614e-13] [ 7.38854214e-05 4.55241225e-04 -1.37501122e-13] [-2.16692983e-14 2.28558492e-14 -3.92596556e-03] [ 4.22994972e-14 -3.57491814e-14 3.92596556e-03] [-4.55241225e-04 -7.38854212e-05 3.59525727e-14] [ 4.55241226e-04 7.38854214e-05 1.40877467e-14] [-7.38854214e-05 -4.55241225e-04 -3.37807257e-14] [ 7.38854214e-05 4.55241226e-04 2.08192682e-14] [-1.16752094e-13 1.62202681e-14 -3.92596556e-03] [-1.29877446e-13 -4.34570140e-14 3.92596556e-03] [-1.12929940e-03 -1.12929940e-03 -1.50074990e-03] [ 1.12929940e-03 1.12929940e-03 -1.50074990e-03] [ 1.24305599e-03 -1.24305599e-03 -3.09139111e-03] [-1.24305599e-03 1.24305599e-03 -3.09139111e-03] [-1.12929940e-03 -1.12929940e-03 1.50074990e-03] [ 1.12929940e-03 1.12929940e-03 1.50074990e-03] [-1.24305599e-03 1.24305599e-03 3.09139111e-03] [ 1.24305599e-03 -1.24305599e-03 3.09139111e-03] [-1.12929940e-03 -1.12929940e-03 -1.50074990e-03] [ 1.12929940e-03 1.12929940e-03 -1.50074990e-03] [ 1.24305599e-03 -1.24305599e-03 -3.09139111e-03] [-1.24305599e-03 1.24305599e-03 -3.09139111e-03] [-1.12929940e-03 -1.12929940e-03 1.50074990e-03] [ 1.12929940e-03 1.12929940e-03 1.50074990e-03] [-1.24305599e-03 1.24305599e-03 3.09139111e-03] [ 1.24305599e-03 -1.24305599e-03 3.09139111e-03] [ 3.75810494e-13 1.90125693e-14 2.17131868e-13] [-3.76694335e-13 -3.52593789e-13 -1.16853718e-13] [-1.82204501e-03 1.44634687e-03 -1.82886659e-03] [ 1.82204501e-03 -1.44634687e-03 -1.82886659e-03] [-1.82204501e-03 1.44634687e-03 1.82886659e-03] [ 1.82204501e-03 -1.44634687e-03 1.82886659e-03] [ 1.44634687e-03 -1.82204501e-03 -1.82886659e-03] [ 1.44634687e-03 -1.82204501e-03 1.82886659e-03] [-1.44634687e-03 1.82204501e-03 -1.82886659e-03] [-1.44634687e-03 1.82204501e-03 1.82886659e-03] [-4.43905872e-03 -4.43905872e-03 2.49467114e-13] [-9.71646693e-04 9.71646692e-04 -1.28851790e-13] [ 9.71646693e-04 -9.71646692e-04 -3.57474467e-14] [ 4.43905872e-03 4.43905872e-03 -3.53498480e-13] [-1.82204501e-03 1.44634687e-03 -1.82886659e-03] [ 1.82204501e-03 -1.44634687e-03 -1.82886659e-03] [-1.82204501e-03 1.44634687e-03 1.82886659e-03] [ 1.82204501e-03 -1.44634687e-03 1.82886659e-03] [ 1.44634687e-03 -1.82204501e-03 -1.82886659e-03] [ 1.44634687e-03 -1.82204501e-03 1.82886659e-03] [-1.44634687e-03 1.82204501e-03 -1.82886659e-03] [-1.44634687e-03 1.82204501e-03 1.82886659e-03] [-4.43905872e-03 -4.43905872e-03 -4.77780118e-14] [-9.71646692e-04 9.71646693e-04 6.56796801e-15] [ 9.71646692e-04 -9.71646693e-04 5.97982764e-14] [ 4.43905872e-03 4.43905872e-03 -1.59882524e-13]] Final stress: [-1.15680191e-04 -1.15680191e-04 1.13686195e-04 2.51103436e-16 -2.82699233e-16 -1.11054866e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.71496313e-02 -1.01002106e-13 5.85599277e-14] [-2.71496313e-02 3.88578059e-16 3.44446693e-14] [ 2.78475160e-14 2.03914034e-02 1.08853898e-16] [ 9.51183576e-14 -2.03914034e-02 3.39450690e-14] [-2.57172755e-15 2.88454156e-14 2.03914034e-02] [ 7.78543896e-14 -5.55111512e-14 -2.03914034e-02] [ 2.71496313e-02 -4.68219213e-14 -1.33356053e-14] [-2.71496313e-02 -1.61494082e-14 2.59436628e-14] [-8.58891951e-14 2.03914034e-02 5.42995916e-14] [-3.65549604e-14 -2.03914034e-02 -3.89113223e-14] [-1.07058459e-13 -2.01263548e-14 2.03914034e-02] [-1.79976693e-13 3.66194859e-14 -2.03914034e-02] [-2.69407160e-03 5.89732054e-03 5.89732054e-03] [ 2.69407160e-03 -5.89732054e-03 5.89732054e-03] [ 2.69407160e-03 5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 -5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 5.89732054e-03 -5.89732054e-03] [ 2.69407160e-03 -5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 -5.89732054e-03 5.89732054e-03] [ 2.69407160e-03 5.89732054e-03 5.89732054e-03] [-2.69407160e-03 5.89732054e-03 5.89732054e-03] [ 2.69407161e-03 -5.89732054e-03 5.89732054e-03] [ 2.69407161e-03 5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 -5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 5.89732054e-03 -5.89732054e-03] [ 2.69407161e-03 -5.89732054e-03 -5.89732054e-03] [-2.69407160e-03 -5.89732054e-03 5.89732054e-03] [ 2.69407161e-03 5.89732054e-03 5.89732054e-03] [-2.10942375e-15 2.87825319e-14 1.68476344e-13] [-2.92618360e-13 8.70982067e-15 -6.57605633e-14] [ 6.99440506e-14 1.41981928e-02 1.41981928e-02] [-1.22802810e-13 -1.41981928e-02 1.41981928e-02] [-1.97406327e-13 1.41981928e-02 -1.41981928e-02] [-2.93237656e-13 -1.41981928e-02 -1.41981928e-02] [ 5.46843786e-04 -4.95159469e-14 9.59488407e-03] [ 5.46843786e-04 2.45272552e-13 -9.59488407e-03] [-5.46843787e-04 -7.68378416e-14 9.59488407e-03] [-5.46843786e-04 1.96814787e-13 -9.59488407e-03] [ 5.46843788e-04 9.59488407e-03 6.50590692e-14] [-5.46843787e-04 9.59488407e-03 3.50861701e-13] [ 5.46843788e-04 -9.59488407e-03 -7.11167236e-14] [-5.46843788e-04 -9.59488407e-03 -6.36990460e-14] [ 4.26199874e-14 1.41981928e-02 1.41981928e-02] [-1.46565052e-13 -1.41981928e-02 1.41981928e-02] [ 1.79942432e-13 1.41981928e-02 -1.41981928e-02] [ 3.59478072e-14 -1.41981928e-02 -1.41981928e-02] [ 5.46843788e-04 -6.24021550e-14 9.59488407e-03] [ 5.46843788e-04 -1.81026851e-13 -9.59488407e-03] [-5.46843788e-04 -5.35461432e-14 9.59488407e-03] [-5.46843788e-04 -1.40541658e-13 -9.59488407e-03] [ 5.46843787e-04 9.59488407e-03 2.89286499e-14] [-5.46843786e-04 9.59488407e-03 -5.91504893e-14] [ 5.46843787e-04 -9.59488407e-03 2.45193355e-13] [-5.46843786e-04 -9.59488407e-03 1.93035692e-14]] Final stress: [-7.73246757e-04 1.88166734e-04 1.88166734e-04 9.80593786e-17 -8.31011683e-18 -3.58997047e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.05955138e-02 -1.29346870e-12 -1.74382974e-12] [ 5.05955138e-02 -1.28388966e-12 -4.31155112e-13] [ 7.13562889e-13 -1.26496759e-02 -1.22224930e-12] [ 1.20661814e-12 1.26496759e-02 -1.15987775e-12] [ 6.33090802e-13 -5.87701329e-13 -1.26496759e-02] [ 3.53550522e-13 -1.09520726e-12 1.26496759e-02] [-5.05955138e-02 -1.09954016e-12 -5.20886096e-13] [ 5.05955138e-02 1.94011040e-13 8.13564632e-13] [-3.86747925e-13 -1.26496759e-02 2.14368637e-14] [-7.82689885e-13 1.26496759e-02 1.20389943e-12] [ 5.41939757e-13 6.78502021e-13 -1.26496759e-02] [-2.90025382e-13 -4.70938155e-13 1.26496759e-02] [ 2.05086705e-02 -3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 -3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 -3.24533694e-02 3.24533694e-02] [-2.05086705e-02 3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 -3.24533694e-02 -3.24533694e-02] [ 2.05086705e-02 -3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 -3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 -3.24533694e-02 3.24533694e-02] [-2.05086705e-02 3.24533694e-02 3.24533694e-02] [ 2.05086705e-02 3.24533694e-02 -3.24533694e-02] [-2.05086705e-02 -3.24533694e-02 -3.24533694e-02] [-2.31206720e-12 -7.29832861e-13 -3.60150798e-12] [ 1.07117353e-12 2.47912739e-12 7.85508044e-13] [ 3.48421292e-12 -5.13945339e-02 -5.13945339e-02] [ 2.36622180e-12 5.13945339e-02 -5.13945339e-02] [ 2.29083766e-12 -5.13945339e-02 5.13945339e-02] [ 1.13761431e-13 5.13945339e-02 5.13945339e-02] [ 1.17280198e-02 1.85484961e-12 -8.38436361e-04] [ 1.17280198e-02 -5.00705380e-13 8.38436361e-04] [-1.17280198e-02 1.66253296e-12 -8.38436359e-04] [-1.17280198e-02 3.06728220e-12 8.38436364e-04] [ 1.17280198e-02 -8.38436358e-04 -1.30795375e-12] [-1.17280198e-02 -8.38436358e-04 -2.39143254e-12] [ 1.17280198e-02 8.38436359e-04 -1.77715134e-12] [-1.17280198e-02 8.38436359e-04 2.11571255e-12] [-4.76674256e-13 -5.13945339e-02 -5.13945339e-02] [ 2.68864575e-12 5.13945339e-02 -5.13945339e-02] [ 1.43402651e-13 -5.13945339e-02 5.13945339e-02] [-1.73974463e-12 5.13945339e-02 5.13945339e-02] [ 1.17280198e-02 3.90907999e-16 -8.38436359e-04] [ 1.17280198e-02 1.17221976e-12 8.38436359e-04] [-1.17280198e-02 5.06085625e-13 -8.38436358e-04] [-1.17280198e-02 -2.91868960e-13 8.38436362e-04] [ 1.17280198e-02 -8.38436362e-04 -3.05056981e-12] [-1.17280198e-02 -8.38436363e-04 -1.30029944e-12] [ 1.17280198e-02 8.38436358e-04 -3.40601218e-12] [-1.17280198e-02 8.38436361e-04 -1.96846359e-12]] Final stress: [-2.83526267e-04 -5.28284913e-04 -5.28284913e-04 -2.12536268e-15 -9.97822857e-16 -1.33874567e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.64885642e-04 -1.28872607e-14 1.44346340e-14] [-7.64885642e-04 -2.22044605e-16 1.31838984e-14] [ 1.57851163e-14 7.64885642e-04 4.88038429e-14] [ 2.20379270e-14 -7.64885642e-04 1.52655666e-14] [-1.79760720e-14 -4.62642077e-14 1.78472865e-05] [ 1.56819002e-14 -8.18789481e-15 -1.78472865e-05] [ 7.64885642e-04 2.04636655e-14 1.49334686e-14] [-7.64885642e-04 -4.43655529e-16 8.03035503e-15] [-1.92727778e-15 7.64885642e-04 1.52582055e-14] [-5.53940574e-14 -7.64885642e-04 2.82584578e-14] [-1.57183294e-14 2.18651587e-14 1.78472865e-05] [ 3.39919065e-15 1.45936710e-14 -1.78472865e-05] [ 1.18819588e-05 1.18819588e-05 4.27524399e-04] [-1.18819588e-05 -1.18819588e-05 4.27524399e-04] [-1.18819588e-05 1.18819588e-05 -4.27524399e-04] [ 1.18819588e-05 -1.18819588e-05 -4.27524399e-04] [ 1.18819588e-05 1.18819588e-05 -4.27524399e-04] [-1.18819588e-05 -1.18819588e-05 -4.27524399e-04] [ 1.18819588e-05 -1.18819588e-05 4.27524399e-04] [-1.18819588e-05 1.18819589e-05 4.27524399e-04] [ 1.18819587e-05 1.18819588e-05 4.27524399e-04] [-1.18819588e-05 -1.18819588e-05 4.27524399e-04] [-1.18819588e-05 1.18819588e-05 -4.27524399e-04] [ 1.18819588e-05 -1.18819588e-05 -4.27524399e-04] [ 1.18819588e-05 1.18819589e-05 -4.27524399e-04] [-1.18819588e-05 -1.18819588e-05 -4.27524399e-04] [ 1.18819587e-05 -1.18819588e-05 4.27524399e-04] [-1.18819588e-05 1.18819588e-05 4.27524399e-04] [ 6.20614671e-14 -7.90756349e-14 2.60513833e-13] [-6.24266264e-14 -1.54146239e-14 -8.90346824e-16] [-4.44089210e-16 3.51985276e-04 1.54349225e-04] [-6.14786000e-15 -3.51985277e-04 1.54349224e-04] [ 3.64638875e-14 3.51985276e-04 -1.54349225e-04] [ 7.72073377e-14 -3.51985276e-04 -1.54349224e-04] [ 3.51985277e-04 2.93098879e-14 1.54349224e-04] [ 3.51985276e-04 -6.11038997e-14 -1.54349224e-04] [-3.51985277e-04 -3.32373018e-15 1.54349224e-04] [-3.51985276e-04 -1.28369537e-14 -1.54349224e-04] [-9.00290012e-05 -9.00290010e-05 6.87228052e-14] [ 9.00290011e-05 -9.00290011e-05 2.22790536e-14] [-9.00290010e-05 9.00290011e-05 1.04881381e-13] [ 9.00290009e-05 9.00290012e-05 -7.35175809e-15] [ 8.42403404e-14 3.51985276e-04 1.54349224e-04] [ 4.05626054e-14 -3.51985276e-04 1.54349224e-04] [-1.30060893e-14 3.51985276e-04 -1.54349225e-04] [ 3.39134103e-14 -3.51985276e-04 -1.54349224e-04] [ 3.51985276e-04 -1.17549389e-14 1.54349224e-04] [ 3.51985276e-04 3.56899840e-14 -1.54349224e-04] [-3.51985277e-04 -8.17336650e-14 1.54349224e-04] [-3.51985276e-04 2.78744042e-14 -1.54349225e-04] [-9.00290011e-05 -9.00290011e-05 2.50554838e-14] [ 9.00290011e-05 -9.00290011e-05 1.31013429e-13] [-9.00290009e-05 9.00290013e-05 -2.98013974e-15] [ 9.00290009e-05 9.00290013e-05 -8.60813157e-14]] Final stress: [ 5.33597639e-05 5.33597639e-05 1.18900066e-04 4.98606998e-18 -6.98049797e-17 1.66202333e-17] Minimization converged after 38 steps. Minimization converged after 40 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.68895201e-04 -5.63121598e-14 2.55047719e-14] [ 7.68895201e-04 -1.92901251e-14 2.22877272e-14] [ 1.99376106e-14 -7.68895201e-04 1.90507332e-14] [-1.24344979e-14 7.68895201e-04 -3.15303339e-14] [-1.99475853e-14 -1.12292987e-14 5.66600147e-06] [ 2.10942375e-15 -3.77198273e-14 -5.66600143e-06] [-7.68895201e-04 5.64275189e-14 -5.94021695e-15] [ 7.68895201e-04 1.06381917e-15 -6.32940851e-15] [-6.17995238e-15 -7.68895201e-04 6.18885123e-15] [ 2.06315000e-14 7.68895201e-04 -2.94246953e-14] [-2.19741760e-14 -2.26783954e-14 5.66600141e-06] [ 5.39368897e-15 1.84926711e-14 -5.66600151e-06] [-1.91744833e-05 -1.91744832e-05 -4.45647240e-04] [ 1.91744833e-05 1.91744832e-05 -4.45647240e-04] [ 1.91744832e-05 -1.91744833e-05 4.45647240e-04] [-1.91744832e-05 1.91744833e-05 4.45647240e-04] [-1.91744833e-05 -1.91744832e-05 4.45647240e-04] [ 1.91744833e-05 1.91744832e-05 4.45647240e-04] [-1.91744833e-05 1.91744833e-05 -4.45647240e-04] [ 1.91744833e-05 -1.91744833e-05 -4.45647240e-04] [-1.91744832e-05 -1.91744832e-05 -4.45647240e-04] [ 1.91744832e-05 1.91744833e-05 -4.45647240e-04] [ 1.91744833e-05 -1.91744832e-05 4.45647240e-04] [-1.91744833e-05 1.91744833e-05 4.45647240e-04] [-1.91744833e-05 -1.91744832e-05 4.45647240e-04] [ 1.91744833e-05 1.91744833e-05 4.45647240e-04] [-1.91744832e-05 1.91744833e-05 -4.45647240e-04] [ 1.91744832e-05 -1.91744832e-05 -4.45647240e-04] [ 5.46507284e-14 -5.94801985e-14 1.11577414e-14] [ 4.13211132e-15 5.73237220e-15 9.42633010e-14] [-2.28705943e-14 -3.46003733e-04 -1.96382881e-04] [ 4.16854051e-14 3.46003733e-04 -1.96382881e-04] [-1.43982049e-14 -3.46003733e-04 1.96382881e-04] [-1.16608112e-14 3.46003733e-04 1.96382881e-04] [-3.46003733e-04 -8.22675261e-14 -1.96382881e-04] [-3.46003733e-04 -2.22079299e-14 1.96382881e-04] [ 3.46003733e-04 -1.01293973e-13 -1.96382881e-04] [ 3.46003733e-04 -6.80913659e-14 1.96382881e-04] [ 9.41813483e-05 9.41813484e-05 9.18154441e-14] [-9.41813482e-05 9.41813484e-05 9.62164376e-14] [ 9.41813482e-05 -9.41813484e-05 1.08989207e-13] [-9.41813482e-05 -9.41813484e-05 1.20840837e-13] [ 2.48598885e-14 -3.46003733e-04 -1.96382881e-04] [-2.03960113e-15 3.46003733e-04 -1.96382881e-04] [ 2.98038504e-14 -3.46003733e-04 1.96382881e-04] [-4.73635887e-14 3.46003733e-04 1.96382881e-04] [-3.46003733e-04 -8.66853928e-14 -1.96382881e-04] [-3.46003733e-04 -1.00579267e-14 1.96382881e-04] [ 3.46003733e-04 -3.99255282e-14 -1.96382881e-04] [ 3.46003733e-04 9.81385112e-14 1.96382881e-04] [ 9.41813484e-05 9.41813483e-05 -1.04911849e-14] [-9.41813483e-05 9.41813483e-05 -1.02424335e-13] [ 9.41813485e-05 -9.41813482e-05 -5.00500588e-14] [-9.41813484e-05 -9.41813482e-05 -1.70757505e-14]] Final stress: [-5.29404936e-05 -5.29404936e-05 -1.19203993e-04 9.14670931e-17 -4.82281036e-17 1.66303806e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.64885642e-04 4.68375339e-16 3.56312202e-15] [-7.64885642e-04 -2.12885265e-14 6.24500451e-15] [ 2.46682015e-14 1.78472860e-05 6.82440215e-15] [ 3.43058915e-14 -1.78472859e-05 2.03448369e-14] [-9.96598637e-16 1.64954855e-14 7.64885642e-04] [-2.33146835e-15 -1.47659662e-14 -7.64885642e-04] [ 7.64885642e-04 -2.35228503e-15 1.64267105e-14] [-7.64885642e-04 -1.81278603e-15 -5.14224303e-14] [-1.24431715e-14 1.78472861e-05 -5.63610248e-14] [-4.55187103e-14 -1.78472859e-05 -3.68628964e-14] [-1.15558604e-14 -2.13027761e-14 7.64885642e-04] [ 1.57916215e-14 2.17452092e-15 -7.64885642e-04] [ 1.18819590e-05 4.27524399e-04 1.18819590e-05] [-1.18819589e-05 -4.27524399e-04 1.18819589e-05] [-1.18819589e-05 4.27524399e-04 -1.18819589e-05] [ 1.18819589e-05 -4.27524399e-04 -1.18819589e-05] [ 1.18819590e-05 4.27524399e-04 -1.18819589e-05] [-1.18819588e-05 -4.27524399e-04 -1.18819589e-05] [ 1.18819589e-05 -4.27524399e-04 1.18819589e-05] [-1.18819589e-05 4.27524399e-04 1.18819589e-05] [ 1.18819589e-05 4.27524399e-04 1.18819588e-05] [-1.18819589e-05 -4.27524399e-04 1.18819590e-05] [-1.18819590e-05 4.27524399e-04 -1.18819590e-05] [ 1.18819589e-05 -4.27524399e-04 -1.18819589e-05] [ 1.18819589e-05 4.27524399e-04 -1.18819589e-05] [-1.18819590e-05 -4.27524399e-04 -1.18819590e-05] [ 1.18819589e-05 -4.27524399e-04 1.18819588e-05] [-1.18819589e-05 4.27524399e-04 1.18819589e-05] [ 1.63230540e-13 -1.64313008e-14 1.62841962e-13] [-1.37251755e-13 -9.19116353e-14 -4.06300877e-15] [ 6.51700915e-14 1.54349225e-04 3.51985277e-04] [-1.72778458e-15 -1.54349225e-04 3.51985277e-04] [ 1.09899936e-13 1.54349225e-04 -3.51985277e-04] [ 9.10053283e-14 -1.54349225e-04 -3.51985277e-04] [-9.00290007e-05 -6.36157793e-14 -9.00290010e-05] [-9.00290010e-05 -8.47551196e-14 9.00290009e-05] [ 9.00290007e-05 -1.14873389e-14 -9.00290010e-05] [ 9.00290011e-05 -3.89271948e-14 9.00290009e-05] [ 3.51985277e-04 1.54349225e-04 3.46389584e-14] [-3.51985277e-04 1.54349225e-04 -4.00547651e-14] [ 3.51985277e-04 -1.54349225e-04 -1.37737044e-14] [-3.51985277e-04 -1.54349225e-04 -2.86159985e-14] [-1.41874359e-14 1.54349225e-04 3.51985277e-04] [-3.43384175e-14 -1.54349225e-04 3.51985277e-04] [ 2.68392079e-14 1.54349225e-04 -3.51985277e-04] [ 2.94122365e-14 -1.54349225e-04 -3.51985277e-04] [-9.00290010e-05 -5.33562509e-14 -9.00290008e-05] [-9.00290009e-05 4.16836704e-14 9.00290009e-05] [ 9.00290008e-05 2.38841065e-14 -9.00290010e-05] [ 9.00290009e-05 3.61091365e-14 9.00290010e-05] [ 3.51985277e-04 1.54349225e-04 1.30681195e-13] [-3.51985277e-04 1.54349225e-04 1.27602651e-13] [ 3.51985277e-04 -1.54349225e-04 9.27111103e-14] [-3.51985277e-04 -1.54349225e-04 6.41370637e-14]] Final stress: [ 5.33597639e-05 1.18900066e-04 5.33597639e-05 -3.15784432e-17 3.32404665e-17 2.16063033e-17] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.63896942e-04 2.58877121e-14 2.52996409e-14] [ 7.63896942e-04 -2.05391260e-15 3.02535774e-15] [ 3.56485674e-14 1.06579685e-05 1.08697773e-14] [ 4.86000129e-14 -1.06579685e-05 -9.99200722e-16] [-9.24087196e-15 3.91180144e-15 -7.63896942e-04] [-7.49400542e-15 -1.58206781e-15 7.63896942e-04] [-7.63896942e-04 -1.59655275e-14 2.91786292e-14] [ 7.63896942e-04 -2.20882340e-14 1.64960176e-14] [ 3.26735167e-15 1.06579684e-05 -3.50801753e-14] [-4.26611871e-14 -1.06579684e-05 8.99133722e-15] [ 1.20038528e-14 -1.24841177e-14 -7.63896942e-04] [ 5.14172038e-15 2.86474602e-14 7.63896942e-04] [-1.92739191e-05 -4.44654092e-04 -1.92739191e-05] [ 1.92739190e-05 4.44654092e-04 -1.92739191e-05] [ 1.92739191e-05 -4.44654092e-04 1.92739191e-05] [-1.92739191e-05 4.44654092e-04 1.92739191e-05] [-1.92739191e-05 -4.44654092e-04 1.92739190e-05] [ 1.92739190e-05 4.44654092e-04 1.92739191e-05] [-1.92739191e-05 4.44654092e-04 -1.92739191e-05] [ 1.92739191e-05 -4.44654092e-04 -1.92739191e-05] [-1.92739191e-05 -4.44654092e-04 -1.92739191e-05] [ 1.92739191e-05 4.44654092e-04 -1.92739191e-05] [ 1.92739191e-05 -4.44654092e-04 1.92739191e-05] [-1.92739191e-05 4.44654092e-04 1.92739191e-05] [-1.92739191e-05 -4.44654092e-04 1.92739191e-05] [ 1.92739191e-05 4.44654092e-04 1.92739191e-05] [-1.92739191e-05 4.44654092e-04 -1.92739191e-05] [ 1.92739191e-05 -4.44654092e-04 -1.92739191e-05] [-3.00592884e-14 -2.18991492e-14 2.47857290e-14] [ 6.78558772e-14 4.40989797e-14 7.13450917e-14] [ 3.33066907e-16 -1.97971078e-04 -3.41634186e-04] [ 1.36869682e-15 1.97971078e-04 -3.41634186e-04] [ 9.22352472e-15 -1.97971078e-04 3.41634186e-04] [ 1.19609184e-14 1.97971078e-04 3.41634186e-04] [ 9.47125677e-05 -5.10702591e-15 9.47125680e-05] [ 9.47125679e-05 2.86923263e-15 -9.47125678e-05] [-9.47125680e-05 5.66907632e-15 9.47125676e-05] [-9.47125679e-05 1.35412515e-14 -9.47125676e-05] [-3.41634186e-04 -1.97971078e-04 8.44879722e-14] [ 3.41634186e-04 -1.97971078e-04 8.65297417e-14] [-3.41634186e-04 1.97971078e-04 -9.03097042e-15] [ 3.41634186e-04 1.97971078e-04 2.07577011e-14] [ 8.13147293e-14 -1.97971078e-04 -3.41634186e-04] [ 3.46255143e-14 1.97971078e-04 -3.41634186e-04] [ 1.50418740e-13 -1.97971078e-04 3.41634186e-04] [ 8.89665945e-14 1.97971078e-04 3.41634186e-04] [ 9.47125678e-05 -2.90819776e-14 9.47125677e-05] [ 9.47125679e-05 -6.75501322e-15 -9.47125676e-05] [-9.47125679e-05 3.24028998e-14 9.47125677e-05] [-9.47125679e-05 2.21112191e-14 -9.47125677e-05] [-3.41634186e-04 -1.97971078e-04 1.27821126e-14] [ 3.41634186e-04 -1.97971078e-04 -4.03186124e-14] [-3.41634186e-04 1.97971078e-04 -3.82018907e-14] [ 3.41634186e-04 1.97971078e-04 -7.34147985e-14]] Final stress: [-5.30069292e-05 -1.19182946e-04 -5.30069292e-05 -2.99346850e-17 5.65432939e-17 2.66086089e-17] Minimization converged after 37 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-5.61304956e-02 9.01707528e-13 7.93158182e-13] [ 5.61304956e-02 -2.32622255e-12 1.56577529e-12] [ 5.35374696e-13 2.75685915e-03 2.78334451e-02] [ 1.66469616e-12 -2.75685915e-03 -2.78334451e-02] [-2.74727506e-12 2.78334451e-02 2.75685914e-03] [-1.02223785e-13 -2.78334451e-02 -2.75685915e-03] [-5.61304956e-02 -2.21050261e-12 -1.41775259e-12] [ 5.61304956e-02 2.99522560e-13 2.59273462e-12] [-7.50020272e-13 2.75685915e-03 2.78334451e-02] [-3.57563805e-12 -2.75685914e-03 -2.78334451e-02] [ 3.84849444e-12 2.78334451e-02 2.75685915e-03] [ 3.66624266e-13 -2.78334451e-02 -2.75685915e-03] [ 7.14613427e-02 -2.16215569e-02 -2.16215569e-02] [ 3.32409947e-02 2.64314543e-02 -2.64314543e-02] [ 3.32409947e-02 -2.64314543e-02 2.64314543e-02] [ 7.14613427e-02 2.16215569e-02 2.16215569e-02] [-3.32409947e-02 -2.64314543e-02 2.64314543e-02] [-7.14613427e-02 2.16215569e-02 2.16215569e-02] [-3.32409947e-02 2.64314543e-02 -2.64314543e-02] [-7.14613427e-02 -2.16215569e-02 -2.16215569e-02] [ 7.14613427e-02 -2.16215569e-02 -2.16215569e-02] [ 3.32409947e-02 2.64314543e-02 -2.64314543e-02] [ 3.32409947e-02 -2.64314543e-02 2.64314543e-02] [ 7.14613427e-02 2.16215569e-02 2.16215569e-02] [-3.32409947e-02 -2.64314543e-02 2.64314543e-02] [-7.14613427e-02 2.16215569e-02 2.16215569e-02] [-3.32409947e-02 2.64314543e-02 -2.64314543e-02] [-7.14613427e-02 -2.16215569e-02 -2.16215569e-02] [ 1.27793054e-11 6.35436148e-13 1.37917178e-11] [ 6.15931264e-12 -1.23761321e-11 3.74869155e-14] [-2.65021338e-12 1.08739267e-01 1.08739267e-01] [ 1.08869337e-12 7.14639385e-02 -7.14639385e-02] [ 1.66439779e-12 -7.14639385e-02 7.14639385e-02] [-1.07639453e-11 -1.08739267e-01 -1.08739267e-01] [-7.61713166e-03 3.22875559e-02 4.40295338e-02] [-7.61713165e-03 -3.22875559e-02 -4.40295338e-02] [ 7.61713165e-03 3.22875558e-02 4.40295338e-02] [ 7.61713166e-03 -3.22875559e-02 -4.40295338e-02] [-7.61713166e-03 4.40295338e-02 3.22875558e-02] [ 7.61713165e-03 4.40295338e-02 3.22875559e-02] [-7.61713165e-03 -4.40295338e-02 -3.22875559e-02] [ 7.61713163e-03 -4.40295338e-02 -3.22875559e-02] [ 9.50340067e-13 1.08739267e-01 1.08739267e-01] [ 8.48585091e-13 7.14639385e-02 -7.14639385e-02] [ 8.86767916e-12 -7.14639385e-02 7.14639385e-02] [ 4.83781504e-12 -1.08739267e-01 -1.08739267e-01] [-7.61713164e-03 3.22875559e-02 4.40295338e-02] [-7.61713164e-03 -3.22875559e-02 -4.40295338e-02] [ 7.61713166e-03 3.22875559e-02 4.40295338e-02] [ 7.61713165e-03 -3.22875559e-02 -4.40295338e-02] [-7.61713165e-03 4.40295338e-02 3.22875559e-02] [ 7.61713166e-03 4.40295338e-02 3.22875558e-02] [-7.61713165e-03 -4.40295338e-02 -3.22875559e-02] [ 7.61713165e-03 -4.40295338e-02 -3.22875558e-02]] Final stress: [ 6.98695387e-04 -4.41943319e-04 -4.41943319e-04 3.28035429e-05 -2.62387368e-15 4.56434300e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-5.77945997e-02 1.94595110e-12 -2.33183264e-13] [ 5.77945997e-02 8.09047274e-13 -5.44175816e-13] [ 5.27048153e-12 4.53190107e-03 -3.07145146e-02] [ 4.14093759e-12 -4.53190106e-03 3.07145146e-02] [-1.57348700e-12 -3.07145146e-02 4.53190106e-03] [-8.75549633e-13 3.07145146e-02 -4.53190108e-03] [-5.77945997e-02 1.49897759e-12 -5.54062740e-13] [ 5.77945997e-02 -2.11671089e-12 -1.04857003e-12] [ 2.06410843e-13 4.53190107e-03 -3.07145146e-02] [ 9.78080898e-13 -4.53190106e-03 3.07145146e-02] [-1.65338533e-12 -3.07145146e-02 4.53190107e-03] [-8.03708662e-13 3.07145146e-02 -4.53190107e-03] [-3.57181473e-02 -2.77580581e-02 -2.77580581e-02] [-7.37634721e-02 2.29606070e-02 -2.29606070e-02] [-7.37634721e-02 -2.29606070e-02 2.29606070e-02] [-3.57181473e-02 2.77580581e-02 2.77580581e-02] [ 7.37634721e-02 -2.29606070e-02 2.29606070e-02] [ 3.57181473e-02 2.77580581e-02 2.77580581e-02] [ 7.37634721e-02 2.29606070e-02 -2.29606070e-02] [ 3.57181473e-02 -2.77580581e-02 -2.77580581e-02] [-3.57181473e-02 -2.77580581e-02 -2.77580581e-02] [-7.37634721e-02 2.29606070e-02 -2.29606070e-02] [-7.37634721e-02 -2.29606070e-02 2.29606070e-02] [-3.57181473e-02 2.77580581e-02 2.77580581e-02] [ 7.37634721e-02 -2.29606070e-02 2.29606070e-02] [ 3.57181473e-02 2.77580581e-02 2.77580581e-02] [ 7.37634721e-02 2.29606070e-02 -2.29606070e-02] [ 3.57181473e-02 -2.77580581e-02 -2.77580581e-02] [ 9.23816579e-13 -2.19788077e-12 4.03713174e-12] [-3.84203953e-12 -9.89161212e-12 -4.43265051e-13] [-8.39994740e-12 -7.32570547e-02 -7.32570547e-02] [-4.55080765e-12 -1.17963034e-01 1.17963034e-01] [-7.88692722e-12 1.17963034e-01 -1.17963034e-01] [ 3.09510577e-12 7.32570547e-02 7.32570547e-02] [-7.45367944e-03 -3.39117362e-02 4.61306491e-02] [-7.45367945e-03 3.39117362e-02 -4.61306492e-02] [ 7.45367944e-03 -3.39117362e-02 4.61306491e-02] [ 7.45367945e-03 3.39117362e-02 -4.61306491e-02] [-7.45367943e-03 4.61306491e-02 -3.39117362e-02] [ 7.45367943e-03 4.61306491e-02 -3.39117362e-02] [-7.45367945e-03 -4.61306492e-02 3.39117362e-02] [ 7.45367943e-03 -4.61306491e-02 3.39117362e-02] [ 3.68234523e-12 -7.32570547e-02 -7.32570547e-02] [-1.07296550e-13 -1.17963034e-01 1.17963034e-01] [ 1.17499855e-11 1.17963034e-01 -1.17963034e-01] [-2.44248111e-12 7.32570547e-02 7.32570547e-02] [-7.45367945e-03 -3.39117363e-02 4.61306492e-02] [-7.45367942e-03 3.39117362e-02 -4.61306491e-02] [ 7.45367944e-03 -3.39117362e-02 4.61306492e-02] [ 7.45367943e-03 3.39117362e-02 -4.61306491e-02] [-7.45367944e-03 4.61306491e-02 -3.39117362e-02] [ 7.45367944e-03 4.61306491e-02 -3.39117362e-02] [-7.45367944e-03 -4.61306492e-02 3.39117362e-02] [ 7.45367946e-03 -4.61306492e-02 3.39117362e-02]] Final stress: [ 6.17537877e-04 -4.41051543e-04 -4.41051543e-04 -4.19762607e-05 -2.77518705e-15 1.17558852e-14] Minimization converged after 48 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.61462545e-03 -4.67026591e-14 -1.08859366e-03] [ 1.61462545e-03 -8.33222380e-14 1.08859366e-03] [-2.43854416e-14 1.35388463e-03 -1.66753764e-13] [-2.23154828e-14 -1.35388463e-03 -1.20542465e-13] [-1.09834113e-03 6.98902741e-14 1.37740748e-03] [ 1.09834113e-03 -8.06577027e-14 -1.37740748e-03] [-1.61462545e-03 -3.31726834e-14 -1.08859366e-03] [ 1.61462545e-03 7.94503352e-14 1.08859366e-03] [-8.40733733e-15 1.35388463e-03 9.86774326e-14] [-3.38778484e-14 -1.35388463e-03 1.33528106e-14] [-1.09834113e-03 -4.17742547e-14 1.37740748e-03] [ 1.09834113e-03 6.55265882e-14 -1.37740748e-03] [-3.44075688e-04 -1.07817124e-04 -1.19453978e-03] [-3.11521324e-04 1.66697261e-03 -5.58634464e-04] [ 3.44075688e-04 -1.07817123e-04 1.19453978e-03] [ 3.11521325e-04 1.66697261e-03 5.58634464e-04] [ 3.11521325e-04 -1.66697261e-03 5.58634464e-04] [ 3.44075689e-04 1.07817124e-04 1.19453978e-03] [-3.44075689e-04 1.07817123e-04 -1.19453978e-03] [-3.11521324e-04 -1.66697261e-03 -5.58634464e-04] [-3.44075688e-04 -1.07817124e-04 -1.19453978e-03] [-3.11521325e-04 1.66697261e-03 -5.58634464e-04] [ 3.44075688e-04 -1.07817123e-04 1.19453978e-03] [ 3.11521325e-04 1.66697261e-03 5.58634464e-04] [ 3.11521325e-04 -1.66697261e-03 5.58634464e-04] [ 3.44075688e-04 1.07817124e-04 1.19453978e-03] [-3.44075688e-04 1.07817124e-04 -1.19453978e-03] [-3.11521325e-04 -1.66697261e-03 -5.58634464e-04] [ 4.17055279e-13 -3.43280959e-13 1.41719969e-13] [-1.54751646e-13 -4.59632517e-13 8.91812552e-13] [ 2.98553800e-03 -1.55411198e-03 -1.55015598e-03] [ 2.98553800e-03 1.55411198e-03 -1.55015598e-03] [-2.98553800e-03 -1.55411198e-03 1.55015598e-03] [-2.98553800e-03 1.55411198e-03 1.55015598e-03] [ 3.36430408e-03 -2.95430347e-13 -1.64073143e-03] [ 5.76241216e-04 3.24653499e-14 4.37497213e-03] [-5.76241215e-04 -2.32243044e-13 -4.37497213e-03] [-3.36430408e-03 2.84338525e-14 1.64073143e-03] [ 1.97165848e-03 -3.01042808e-03 2.98399403e-03] [-1.97165848e-03 -3.01042809e-03 -2.98399403e-03] [ 1.97165848e-03 3.01042808e-03 2.98399403e-03] [-1.97165848e-03 3.01042809e-03 -2.98399403e-03] [ 2.98553800e-03 -1.55411198e-03 -1.55015598e-03] [ 2.98553800e-03 1.55411198e-03 -1.55015598e-03] [-2.98553800e-03 -1.55411198e-03 1.55015598e-03] [-2.98553800e-03 1.55411198e-03 1.55015598e-03] [ 3.36430408e-03 3.66016568e-13 -1.64073143e-03] [ 5.76241217e-04 -1.97661115e-13 4.37497214e-03] [-5.76241217e-04 -1.13650409e-14 -4.37497213e-03] [-3.36430408e-03 3.36561508e-13 1.64073143e-03] [ 1.97165848e-03 -3.01042808e-03 2.98399403e-03] [-1.97165848e-03 -3.01042808e-03 -2.98399403e-03] [ 1.97165848e-03 3.01042808e-03 2.98399403e-03] [-1.97165848e-03 3.01042808e-03 -2.98399403e-03]] Final stress: [ 6.75384830e-05 -5.58010463e-05 -5.57319538e-05 1.44662237e-16 6.03547252e-05 -1.16394903e-17] Minimization converged after 65 steps. Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 63 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.63697402e-04 2.25358343e-04 5.57453389e-15] [ 5.63697402e-04 -2.25358343e-04 -1.65145675e-14] [ 2.29019254e-04 1.01082500e-04 -2.13197515e-15] [-2.29019254e-04 -1.01082500e-04 -3.33899575e-14] [-1.41700887e-14 -8.31799907e-15 9.83181063e-05] [-1.73749903e-14 -1.60427227e-14 -9.83181064e-05] [-5.63697402e-04 2.25358343e-04 -1.98145413e-15] [ 5.63697402e-04 -2.25358343e-04 2.96810372e-15] [ 2.29019254e-04 1.01082500e-04 -3.28303752e-15] [-2.29019254e-04 -1.01082500e-04 8.28365061e-15] [ 1.85441940e-15 6.26906703e-15 9.83181063e-05] [ 7.34438552e-15 1.86111126e-14 -9.83181063e-05] [ 1.33145404e-04 -2.10778989e-04 -4.63888752e-04] [-1.33145404e-04 2.10778989e-04 -4.63888752e-04] [-1.49308907e-04 -1.95770776e-04 -5.46728017e-05] [ 1.49308907e-04 1.95770776e-04 -5.46728017e-05] [ 1.33145404e-04 -2.10778989e-04 4.63888752e-04] [-1.33145404e-04 2.10778989e-04 4.63888752e-04] [ 1.49308907e-04 1.95770776e-04 5.46728017e-05] [-1.49308907e-04 -1.95770776e-04 5.46728017e-05] [ 1.33145404e-04 -2.10778989e-04 -4.63888752e-04] [-1.33145404e-04 2.10778989e-04 -4.63888752e-04] [-1.49308907e-04 -1.95770776e-04 -5.46728017e-05] [ 1.49308907e-04 1.95770776e-04 -5.46728017e-05] [ 1.33145404e-04 -2.10778989e-04 4.63888752e-04] [-1.33145404e-04 2.10778989e-04 4.63888752e-04] [ 1.49308907e-04 1.95770776e-04 5.46728017e-05] [-1.49308907e-04 -1.95770776e-04 5.46728017e-05] [ 1.21846977e-14 -4.95714580e-14 5.62050406e-14] [ 3.66447324e-14 2.13247294e-15 -5.73009769e-14] [-3.84024488e-04 -3.54917633e-04 -3.54766781e-04] [ 3.84024488e-04 3.54917633e-04 -3.54766781e-04] [-3.84024487e-04 -3.54917633e-04 3.54766781e-04] [ 3.84024488e-04 3.54917633e-04 3.54766781e-04] [ 1.12831947e-04 -3.80102411e-04 -1.50921680e-04] [ 1.12831947e-04 -3.80102411e-04 1.50921680e-04] [-1.12831947e-04 3.80102411e-04 -1.50921680e-04] [-1.12831947e-04 3.80102411e-04 1.50921680e-04] [-2.63421970e-04 -5.24553031e-04 3.06421555e-14] [-4.89426809e-04 2.22741075e-04 1.90368554e-14] [ 4.89426810e-04 -2.22741075e-04 1.84539883e-14] [ 2.63421971e-04 5.24553031e-04 -5.54209456e-14] [-3.84024488e-04 -3.54917633e-04 -3.54766781e-04] [ 3.84024488e-04 3.54917633e-04 -3.54766781e-04] [-3.84024488e-04 -3.54917633e-04 3.54766781e-04] [ 3.84024488e-04 3.54917633e-04 3.54766781e-04] [ 1.12831947e-04 -3.80102411e-04 -1.50921680e-04] [ 1.12831947e-04 -3.80102411e-04 1.50921680e-04] [-1.12831947e-04 3.80102411e-04 -1.50921680e-04] [-1.12831947e-04 3.80102411e-04 1.50921680e-04] [-2.63421971e-04 -5.24553031e-04 4.37268499e-14] [-4.89426809e-04 2.22741075e-04 8.75113445e-14] [ 4.89426809e-04 -2.22741075e-04 -1.30724966e-14] [ 2.63421971e-04 5.24553031e-04 9.29911530e-14]] Final stress: [ 3.43805202e-06 -5.64083367e-05 -5.64205658e-05 2.82673337e-17 9.97670601e-18 -6.87272317e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.03624982e-02 -4.71814428e-14 -5.27789618e-15] [-2.03624982e-02 6.71129818e-14 2.71449530e-14] [-7.73135896e-14 2.71077175e-02 -6.64980224e-14] [ 7.88813459e-14 -2.71077175e-02 1.56319402e-13] [-6.92540643e-14 8.45178962e-14 2.03624982e-02] [-5.55111512e-15 -4.45199433e-14 -2.03624982e-02] [ 2.03624982e-02 -2.28506450e-15 -2.30464599e-14] [-2.03624982e-02 -1.95546704e-15 -6.39952477e-14] [-1.15909886e-13 2.71077175e-02 6.07802223e-14] [-5.96896664e-14 -2.71077175e-02 -3.33717826e-14] [-9.20214425e-14 -8.52744941e-14 2.03624982e-02] [ 6.66524128e-15 7.10824763e-14 -2.03624982e-02] [ 5.88601084e-03 -2.69692981e-03 5.88601084e-03] [-5.88601084e-03 2.69692981e-03 5.88601084e-03] [-5.88601084e-03 -2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 -2.69692981e-03 -5.88601084e-03] [-5.88601084e-03 2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 2.69692981e-03 5.88601084e-03] [-5.88601084e-03 -2.69692981e-03 5.88601084e-03] [ 5.88601084e-03 -2.69692981e-03 5.88601084e-03] [-5.88601084e-03 2.69692981e-03 5.88601084e-03] [-5.88601084e-03 -2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 -2.69692981e-03 -5.88601084e-03] [-5.88601084e-03 2.69692981e-03 -5.88601084e-03] [ 5.88601084e-03 2.69692981e-03 5.88601084e-03] [-5.88601084e-03 -2.69692981e-03 5.88601084e-03] [ 4.02317069e-13 -2.67924571e-13 2.80830914e-13] [-3.48737098e-13 -8.13114475e-14 -2.14757776e-13] [-4.05231404e-13 5.06573490e-04 9.58440403e-03] [-4.12055806e-13 -5.06573490e-04 9.58440403e-03] [-3.43770151e-13 5.06573489e-04 -9.58440403e-03] [-1.26426647e-13 -5.06573489e-04 -9.58440403e-03] [ 1.41659204e-02 -2.49356091e-13 1.41659204e-02] [ 1.41659204e-02 3.19787599e-13 -1.41659204e-02] [-1.41659204e-02 -4.05472531e-13 1.41659204e-02] [-1.41659204e-02 1.97477451e-13 -1.41659204e-02] [ 9.58440403e-03 5.06573488e-04 1.21680443e-13] [-9.58440403e-03 5.06573488e-04 -3.61134733e-14] [ 9.58440403e-03 -5.06573488e-04 -2.38118553e-13] [-9.58440403e-03 -5.06573487e-04 -5.41025558e-13] [ 3.54479467e-13 5.06573487e-04 9.58440403e-03] [ 2.47389349e-13 -5.06573488e-04 9.58440403e-03] [ 2.07086952e-13 5.06573488e-04 -9.58440403e-03] [ 1.82018896e-13 -5.06573488e-04 -9.58440403e-03] [ 1.41659204e-02 -4.29446912e-15 1.41659204e-02] [ 1.41659204e-02 -1.51593798e-13 -1.41659204e-02] [-1.41659204e-02 -1.27606259e-14 1.41659204e-02] [-1.41659204e-02 -3.31845662e-13 -1.41659204e-02] [ 9.58440403e-03 5.06573489e-04 1.79633684e-13] [-9.58440403e-03 5.06573490e-04 2.59190489e-13] [ 9.58440403e-03 -5.06573489e-04 4.72669951e-13] [-9.58440403e-03 -5.06573490e-04 3.17925374e-13]] Final stress: [ 1.88234856e-04 -7.71594124e-04 1.88234856e-04 -1.49582103e-17 -1.49582103e-16 -3.05812299e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.26548382e-02 -1.00683914e-12 -9.20375755e-13] [ 1.26548382e-02 -8.29086799e-13 4.30905311e-13] [-1.58885004e-13 -5.05948409e-02 1.10814515e-13] [ 1.38500322e-13 5.05948409e-02 9.43134459e-14] [-5.24298487e-13 -1.45770071e-12 -1.26548382e-02] [-4.67459405e-13 -1.90700233e-12 1.26548382e-02] [-1.26548382e-02 -1.03061483e-12 6.29947346e-13] [ 1.26548382e-02 -9.34691408e-13 5.91904698e-14] [-8.81823694e-13 -5.05948409e-02 5.52314344e-13] [ 1.45404955e-13 5.05948409e-02 9.13511049e-13] [ 4.39697324e-13 -1.29890550e-12 -1.26548382e-02] [ 3.42973913e-13 -9.91720822e-13 1.26548382e-02] [-3.24500999e-02 2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 -2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 2.05101670e-02 3.24500999e-02] [-3.24500999e-02 -2.05101670e-02 3.24500999e-02] [-3.24500999e-02 2.05101670e-02 3.24500999e-02] [ 3.24500999e-02 -2.05101670e-02 3.24500999e-02] [-3.24500999e-02 -2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 2.05101670e-02 -3.24500999e-02] [-3.24500999e-02 2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 -2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 2.05101670e-02 3.24500999e-02] [-3.24500999e-02 -2.05101670e-02 3.24500999e-02] [-3.24500999e-02 2.05101670e-02 3.24500999e-02] [ 3.24500999e-02 -2.05101670e-02 3.24500999e-02] [-3.24500999e-02 -2.05101670e-02 -3.24500999e-02] [ 3.24500999e-02 2.05101670e-02 -3.24500999e-02] [-1.47337698e-12 -1.88551952e-12 -1.96476169e-12] [ 5.31814176e-13 7.27682799e-13 -2.62378411e-13] [ 3.47544216e-12 1.17268266e-02 -8.34050314e-04] [ 2.81412740e-12 -1.17268266e-02 -8.34050315e-04] [ 2.48401993e-13 1.17268266e-02 8.34050314e-04] [ 1.52917024e-12 -1.17268266e-02 8.34050317e-04] [-5.13927316e-02 1.97697414e-12 -5.13927316e-02] [-5.13927316e-02 7.25565441e-13 5.13927316e-02] [ 5.13927316e-02 9.16938400e-13 -5.13927316e-02] [ 5.13927316e-02 5.20224488e-13 5.13927316e-02] [-8.34050314e-04 1.17268266e-02 -2.98117087e-12] [ 8.34050314e-04 1.17268266e-02 -6.03628258e-13] [-8.34050314e-04 -1.17268266e-02 7.65226424e-13] [ 8.34050316e-04 -1.17268266e-02 1.14481693e-12] [-1.42658975e-12 1.17268266e-02 -8.34050312e-04] [-8.66991375e-13 -1.17268266e-02 -8.34050313e-04] [-1.69265296e-12 1.17268266e-02 8.34050310e-04] [-1.03394246e-12 -1.17268266e-02 8.34050312e-04] [-5.13927316e-02 2.21894592e-12 -5.13927316e-02] [-5.13927316e-02 1.85354022e-12 5.13927316e-02] [ 5.13927316e-02 1.59521224e-12 -5.13927316e-02] [ 5.13927316e-02 1.27053576e-12 5.13927316e-02] [-8.34050315e-04 1.17268266e-02 -2.64913724e-12] [ 8.34050310e-04 1.17268266e-02 -3.20943375e-12] [-8.34050316e-04 -1.17268266e-02 -5.32762392e-13] [ 8.34050313e-04 -1.17268266e-02 -3.11459625e-12]] Final stress: [-5.28246593e-04 -2.83266717e-04 -5.28246593e-04 2.94357743e-16 -2.96020781e-16 -1.57489708e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.85590789e-05 2.21389747e-14 2.58478135e-14] [-1.85590788e-05 9.27036226e-15 4.22994972e-14] [ 2.02750143e-14 7.66123428e-04 8.09725550e-15] [ 2.66175970e-14 -7.66123428e-04 -9.71445147e-16] [ 1.73355254e-14 7.21731702e-15 7.66123428e-04] [ 7.35522754e-15 -3.16136006e-14 -7.66123428e-04] [ 1.85590789e-05 1.75541005e-14 2.41546051e-14] [-1.85590789e-05 1.37563572e-14 1.34477866e-14] [ 3.64495760e-14 7.66123428e-04 -1.11060715e-14] [-2.45029691e-16 -7.66123428e-04 -1.47618778e-14] [-7.98926897e-15 2.07748514e-14 7.66123428e-04] [-2.50806320e-14 4.22255463e-14 -7.66123428e-04] [ 4.27923195e-04 1.19330444e-05 1.19330443e-05] [-4.27923195e-04 -1.19330444e-05 1.19330443e-05] [-4.27923195e-04 1.19330444e-05 -1.19330444e-05] [ 4.27923195e-04 -1.19330444e-05 -1.19330443e-05] [ 4.27923195e-04 1.19330443e-05 -1.19330444e-05] [-4.27923195e-04 -1.19330443e-05 -1.19330443e-05] [ 4.27923195e-04 -1.19330443e-05 1.19330443e-05] [-4.27923195e-04 1.19330444e-05 1.19330444e-05] [ 4.27923195e-04 1.19330443e-05 1.19330443e-05] [-4.27923195e-04 -1.19330443e-05 1.19330443e-05] [-4.27923195e-04 1.19330443e-05 -1.19330444e-05] [ 4.27923195e-04 -1.19330444e-05 -1.19330444e-05] [ 4.27923195e-04 1.19330443e-05 -1.19330444e-05] [-4.27923195e-04 -1.19330444e-05 -1.19330444e-05] [ 4.27923195e-04 -1.19330443e-05 1.19330443e-05] [-4.27923195e-04 1.19330444e-05 1.19330443e-05] [ 1.05471187e-13 -5.52335955e-15 1.24983357e-13] [ 6.16043674e-15 -1.56951897e-13 -2.90436802e-14] [-1.86628490e-13 -9.02159305e-05 -9.02159302e-05] [-1.34007389e-13 9.02159303e-05 -9.02159304e-05] [-9.02854180e-14 -9.02159305e-05 9.02159302e-05] [-1.50851553e-14 9.02159304e-05 9.02159304e-05] [ 1.55617363e-04 -1.34670053e-13 3.51065269e-04] [ 1.55617363e-04 -6.39748671e-14 -3.51065269e-04] [-1.55617363e-04 -1.31179789e-13 3.51065269e-04] [-1.55617363e-04 -6.52186638e-14 -3.51065269e-04] [ 1.55617363e-04 3.51065269e-04 1.83852933e-13] [-1.55617363e-04 3.51065269e-04 1.56975127e-14] [ 1.55617363e-04 -3.51065269e-04 4.66571226e-14] [-1.55617363e-04 -3.51065269e-04 6.64225619e-14] [-8.20728034e-14 -9.02159303e-05 -9.02159304e-05] [ 2.68587236e-14 9.02159304e-05 -9.02159303e-05] [-1.86101135e-14 -9.02159304e-05 9.02159304e-05] [-2.15413624e-14 9.02159305e-05 9.02159301e-05] [ 1.55617363e-04 2.77203461e-14 3.51065269e-04] [ 1.55617363e-04 1.32912127e-13 -3.51065269e-04] [-1.55617363e-04 1.19363287e-13 3.51065269e-04] [-1.55617363e-04 4.46630580e-14 -3.51065269e-04] [ 1.55617363e-04 3.51065269e-04 3.23356604e-14] [-1.55617363e-04 3.51065269e-04 -1.19907678e-15] [ 1.55617363e-04 -3.51065269e-04 1.29790113e-14] [-1.55617363e-04 -3.51065269e-04 7.09692721e-14]] Final stress: [ 1.18914597e-04 5.33455374e-05 5.33455374e-05 3.82265365e-17 -6.64809331e-18 4.98606998e-18] Minimization converged after 39 steps. Minimization converged after 40 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 6.19783670e-06 -3.72050481e-14 7.29451222e-15] [-6.19783681e-06 8.18789481e-15 1.32949207e-14] [-4.78870416e-15 -7.68399459e-04 8.80970644e-14] [-2.37032616e-14 7.68399459e-04 -3.05311332e-16] [-2.73179916e-14 4.30601735e-15 -7.68399459e-04] [-1.02695630e-15 -1.32671651e-14 7.68399459e-04] [ 6.19783664e-06 3.68975683e-15 -3.17520182e-14] [-6.19783663e-06 -2.26815094e-16 -6.72254039e-15] [-4.61774716e-14 -7.68399459e-04 -5.33430852e-14] [ 2.71917905e-16 7.68399459e-04 1.58421417e-14] [-5.48172618e-16 -3.02427665e-15 -7.68399459e-04] [-3.00120172e-14 -1.65185439e-14 7.68399459e-04] [-4.45560443e-04 -1.91901729e-05 -1.91901729e-05] [ 4.45560443e-04 1.91901729e-05 -1.91901729e-05] [ 4.45560443e-04 -1.91901729e-05 1.91901729e-05] [-4.45560443e-04 1.91901729e-05 1.91901730e-05] [-4.45560443e-04 -1.91901729e-05 1.91901729e-05] [ 4.45560443e-04 1.91901729e-05 1.91901729e-05] [-4.45560443e-04 1.91901730e-05 -1.91901729e-05] [ 4.45560443e-04 -1.91901729e-05 -1.91901729e-05] [-4.45560443e-04 -1.91901729e-05 -1.91901730e-05] [ 4.45560443e-04 1.91901729e-05 -1.91901730e-05] [ 4.45560443e-04 -1.91901729e-05 1.91901729e-05] [-4.45560443e-04 1.91901729e-05 1.91901729e-05] [-4.45560443e-04 -1.91901729e-05 1.91901729e-05] [ 4.45560443e-04 1.91901729e-05 1.91901729e-05] [-4.45560443e-04 1.91901729e-05 -1.91901730e-05] [ 4.45560443e-04 -1.91901729e-05 -1.91901730e-05] [ 4.22162305e-14 2.22044605e-15 1.36307632e-13] [-6.44579876e-14 -1.12061744e-13 8.52411073e-14] [-3.78586051e-14 9.42571116e-05 9.42571120e-05] [-2.77555756e-17 -9.42571118e-05 9.42571119e-05] [-4.72764189e-14 9.42571116e-05 -9.42571120e-05] [-3.45782430e-14 -9.42571117e-05 -9.42571120e-05] [-1.96668864e-04 -6.68354261e-14 -3.45423816e-04] [-1.96668864e-04 -4.64871197e-14 3.45423816e-04] [ 1.96668864e-04 -1.02499606e-13 -3.45423816e-04] [ 1.96668863e-04 -1.15732077e-13 3.45423816e-04] [-1.96668864e-04 -3.45423816e-04 4.95159469e-14] [ 1.96668864e-04 -3.45423816e-04 3.01061259e-14] [-1.96668864e-04 3.45423816e-04 6.64607258e-14] [ 1.96668864e-04 3.45423816e-04 1.25325098e-13] [ 1.04930821e-13 9.42571119e-05 9.42571116e-05] [ 5.67419375e-14 -9.42571119e-05 9.42571117e-05] [ 1.16010933e-13 9.42571118e-05 -9.42571117e-05] [ 9.63257252e-14 -9.42571117e-05 -9.42571119e-05] [-1.96668864e-04 -8.99145922e-14 -3.45423816e-04] [-1.96668864e-04 1.52279014e-13 3.45423816e-04] [ 1.96668864e-04 7.63625274e-15 -3.45423816e-04] [ 1.96668864e-04 9.08804282e-14 3.45423816e-04] [-1.96668864e-04 -3.45423816e-04 2.29512473e-14] [ 1.96668864e-04 -3.45423816e-04 -3.57532810e-14] [-1.96668863e-04 3.45423816e-04 -1.81980285e-14] [ 1.96668863e-04 3.45423816e-04 1.45291765e-14]] Final stress: [-1.19202457e-04 -5.29471865e-05 -5.29471865e-05 6.31954461e-17 -3.99129133e-17 -1.03108359e-16] Minimization converged after 50 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.58294540e-03 7.11358056e-14 5.48499614e-13] [-3.58294540e-03 -1.39777079e-13 2.40224507e-13] [ 1.13631327e-13 -2.87675949e-03 -7.17499307e-04] [ 1.46271883e-13 2.87675949e-03 7.17499307e-04] [-9.66410112e-14 -7.08803155e-04 3.64117718e-03] [ 4.29434266e-13 7.08803156e-04 -3.64117718e-03] [ 3.58294540e-03 1.82878452e-13 -3.55649971e-13] [-3.58294540e-03 3.70474484e-13 -9.09685363e-14] [ 8.26920997e-14 -2.87675949e-03 -7.17499307e-04] [-1.35086387e-13 2.87675949e-03 7.17499307e-04] [ 6.88342612e-14 -7.08803156e-04 3.64117718e-03] [-1.49615997e-13 7.08803155e-04 -3.64117718e-03] [ 3.14624822e-04 -1.58037591e-03 -3.07587542e-03] [ 3.83676750e-03 -1.17509837e-03 -3.84178902e-04] [ 3.83676750e-03 1.17509837e-03 3.84178903e-04] [ 3.14624822e-04 1.58037591e-03 3.07587542e-03] [-3.83676750e-03 1.17509837e-03 3.84178902e-04] [-3.14624823e-04 1.58037591e-03 3.07587542e-03] [-3.83676750e-03 -1.17509837e-03 -3.84178903e-04] [-3.14624823e-04 -1.58037591e-03 -3.07587542e-03] [ 3.14624822e-04 -1.58037592e-03 -3.07587542e-03] [ 3.83676750e-03 -1.17509837e-03 -3.84178903e-04] [ 3.83676750e-03 1.17509837e-03 3.84178901e-04] [ 3.14624822e-04 1.58037591e-03 3.07587542e-03] [-3.83676750e-03 1.17509837e-03 3.84178902e-04] [-3.14624822e-04 1.58037591e-03 3.07587542e-03] [-3.83676750e-03 -1.17509837e-03 -3.84178903e-04] [-3.14624822e-04 -1.58037591e-03 -3.07587542e-03] [ 8.95339358e-13 -9.02389274e-13 5.73069370e-13] [-5.16949331e-13 -1.85492263e-12 1.19590464e-12] [ 6.55031585e-13 4.49196013e-03 -2.46306526e-03] [-1.92738187e-13 -1.90056367e-04 -6.65280910e-03] [-4.18748369e-13 1.90056365e-04 6.65280910e-03] [-4.59474472e-13 -4.49196013e-03 2.46306526e-03] [-2.71799625e-03 7.09799906e-03 -2.70633306e-03] [-2.71799625e-03 -7.09799906e-03 2.70633307e-03] [ 2.71799625e-03 7.09799906e-03 -2.70633307e-03] [ 2.71799625e-03 -7.09799906e-03 2.70633306e-03] [-4.56712498e-03 2.34367245e-03 7.13750235e-03] [ 4.56712498e-03 2.34367244e-03 7.13750235e-03] [-4.56712498e-03 -2.34367244e-03 -7.13750235e-03] [ 4.56712497e-03 -2.34367244e-03 -7.13750235e-03] [-7.08157491e-14 4.49196013e-03 -2.46306526e-03] [-5.83432608e-13 -1.90056368e-04 -6.65280910e-03] [ 7.74027110e-13 1.90056365e-04 6.65280910e-03] [ 1.62962395e-12 -4.49196013e-03 2.46306526e-03] [-2.71799625e-03 7.09799906e-03 -2.70633306e-03] [-2.71799625e-03 -7.09799906e-03 2.70633306e-03] [ 2.71799625e-03 7.09799906e-03 -2.70633306e-03] [ 2.71799625e-03 -7.09799906e-03 2.70633306e-03] [-4.56712498e-03 2.34367244e-03 7.13750235e-03] [ 4.56712498e-03 2.34367244e-03 7.13750235e-03] [-4.56712498e-03 -2.34367244e-03 -7.13750235e-03] [ 4.56712498e-03 -2.34367244e-03 -7.13750235e-03]] Final stress: [-6.11873305e-05 1.49330098e-04 -6.09213784e-05 6.59867605e-05 -1.24708825e-16 2.66045494e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.36003571e-05 -2.27608730e-14 1.08710783e-14] [-9.36003572e-05 1.13520304e-14 1.98729921e-14] [ 1.66416360e-14 -5.65698693e-04 2.25607374e-04] [ 6.52256027e-15 5.65698693e-04 -2.25607374e-04] [ 7.58160895e-15 2.29272921e-04 9.63402908e-05] [ 2.12330153e-14 -2.29272921e-04 -9.63402909e-05] [ 9.36003572e-05 1.17310675e-15 -5.47941294e-15] [-9.36003572e-05 -3.15502832e-15 -5.51301135e-15] [-1.96947493e-14 -5.65698693e-04 2.25607374e-04] [ 1.09092423e-14 5.65698693e-04 -2.25607374e-04] [-2.56240341e-14 2.29272921e-04 9.63402908e-05] [-3.68767517e-14 -2.29272921e-04 -9.63402909e-05] [-4.64776813e-04 1.32533307e-04 -2.12095940e-04] [-5.61906748e-05 -1.51942328e-04 -1.93846650e-04] [-5.61906748e-05 1.51942328e-04 1.93846650e-04] [-4.64776813e-04 -1.32533307e-04 2.12095940e-04] [ 5.61906748e-05 1.51942328e-04 1.93846650e-04] [ 4.64776813e-04 -1.32533307e-04 2.12095940e-04] [ 5.61906748e-05 -1.51942328e-04 -1.93846650e-04] [ 4.64776813e-04 1.32533307e-04 -2.12095940e-04] [-4.64776813e-04 1.32533307e-04 -2.12095940e-04] [-5.61906748e-05 -1.51942328e-04 -1.93846650e-04] [-5.61906748e-05 1.51942328e-04 1.93846650e-04] [-4.64776813e-04 -1.32533307e-04 2.12095940e-04] [ 5.61906747e-05 1.51942328e-04 1.93846650e-04] [ 4.64776813e-04 -1.32533307e-04 2.12095940e-04] [ 5.61906748e-05 -1.51942328e-04 -1.93846650e-04] [ 4.64776813e-04 1.32533307e-04 -2.12095940e-04] [ 1.11438636e-13 3.36397576e-14 1.55625512e-13] [-2.53057124e-14 1.44569293e-14 -1.23990489e-15] [ 9.65894031e-15 -2.69248174e-04 -5.21120224e-04] [ 2.34326447e-14 -4.87503524e-04 2.30154361e-04] [ 8.16013923e-15 4.87503524e-04 -2.30154361e-04] [ 6.34631236e-14 2.69248174e-04 5.21120224e-04] [-3.54127790e-04 -3.79534991e-04 -3.54282038e-04] [-3.54127790e-04 3.79534991e-04 3.54282038e-04] [ 3.54127790e-04 -3.79534992e-04 -3.54282038e-04] [ 3.54127789e-04 3.79534991e-04 3.54282038e-04] [-1.45499477e-04 1.08952985e-04 -3.75635329e-04] [ 1.45499477e-04 1.08952985e-04 -3.75635328e-04] [-1.45499477e-04 -1.08952985e-04 3.75635329e-04] [ 1.45499477e-04 -1.08952985e-04 3.75635329e-04] [ 8.03359115e-14 -2.69248174e-04 -5.21120224e-04] [-4.17847180e-14 -4.87503524e-04 2.30154361e-04] [ 3.62496491e-14 4.87503524e-04 -2.30154361e-04] [-2.26884483e-14 2.69248174e-04 5.21120224e-04] [-3.54127790e-04 -3.79534991e-04 -3.54282038e-04] [-3.54127790e-04 3.79534991e-04 3.54282038e-04] [ 3.54127790e-04 -3.79534991e-04 -3.54282038e-04] [ 3.54127790e-04 3.79534991e-04 3.54282038e-04] [-1.45499477e-04 1.08952985e-04 -3.75635329e-04] [ 1.45499477e-04 1.08952985e-04 -3.75635328e-04] [-1.45499477e-04 -1.08952984e-04 3.75635329e-04] [ 1.45499477e-04 -1.08952985e-04 3.75635329e-04]] Final stress: [-5.64436343e-05 3.43566699e-06 -5.64313310e-05 -6.87214929e-05 -1.99534120e-17 -1.66278433e-17] Minimization converged after 37 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.47850108e-03 -1.40573317e-13 2.92413793e-02] [-3.47850108e-03 4.57295313e-12 -2.92413793e-02] [ 1.94177226e-12 -5.68428241e-02 8.61351680e-13] [ 4.25753877e-12 5.68428241e-02 -8.58202398e-14] [ 2.92413793e-02 6.99091392e-13 3.47850109e-03] [-2.92413793e-02 4.97740738e-12 -3.47850109e-03] [ 3.47850109e-03 -2.66064774e-12 2.92413793e-02] [-3.47850108e-03 -6.74697277e-13 -2.92413793e-02] [ 1.61557920e-12 -5.68428241e-02 -1.36573591e-12] [ 2.79593753e-12 5.68428241e-02 -9.21494690e-14] [ 2.92413793e-02 5.27055519e-13 3.47850107e-03] [-2.92413793e-02 5.05468233e-13 -3.47850109e-03] [-2.22147136e-02 7.25495411e-02 -2.22147136e-02] [ 2.69183732e-02 3.43423732e-02 -2.69183732e-02] [ 2.22147136e-02 7.25495411e-02 2.22147136e-02] [-2.69183732e-02 3.43423732e-02 2.69183732e-02] [-2.69183732e-02 -3.43423732e-02 2.69183732e-02] [ 2.22147136e-02 -7.25495411e-02 2.22147136e-02] [-2.22147136e-02 -7.25495411e-02 -2.22147136e-02] [ 2.69183732e-02 -3.43423732e-02 -2.69183732e-02] [-2.22147136e-02 7.25495411e-02 -2.22147136e-02] [ 2.69183732e-02 3.43423732e-02 -2.69183732e-02] [ 2.22147136e-02 7.25495411e-02 2.22147136e-02] [-2.69183732e-02 3.43423732e-02 2.69183732e-02] [-2.69183732e-02 -3.43423732e-02 2.69183732e-02] [ 2.22147136e-02 -7.25495411e-02 2.22147136e-02] [-2.22147136e-02 -7.25495411e-02 -2.22147136e-02] [ 2.69183732e-02 -3.43423732e-02 -2.69183732e-02] [ 7.95921662e-12 2.22044605e-12 2.69498313e-12] [-1.02797384e-11 -1.16619788e-11 1.34199457e-11] [ 3.30335739e-02 -7.80806621e-03 4.51675072e-02] [ 3.30335739e-02 7.80806619e-03 4.51675071e-02] [-3.30335739e-02 -7.80806621e-03 -4.51675072e-02] [-3.30335739e-02 7.80806621e-03 -4.51675072e-02] [ 1.12520027e-01 -2.76945133e-12 1.12520027e-01] [-7.21257974e-02 5.22156970e-12 7.21257974e-02] [ 7.21257974e-02 -4.84038330e-12 -7.21257974e-02] [-1.12520027e-01 -4.77918052e-12 -1.12520027e-01] [ 4.51675072e-02 -7.80806622e-03 3.30335739e-02] [-4.51675072e-02 -7.80806621e-03 -3.30335739e-02] [ 4.51675072e-02 7.80806621e-03 3.30335739e-02] [-4.51675072e-02 7.80806622e-03 -3.30335739e-02] [ 3.30335739e-02 -7.80806621e-03 4.51675072e-02] [ 3.30335739e-02 7.80806619e-03 4.51675071e-02] [-3.30335739e-02 -7.80806621e-03 -4.51675072e-02] [-3.30335739e-02 7.80806622e-03 -4.51675072e-02] [ 1.12520027e-01 -2.54429178e-12 1.12520027e-01] [-7.21257974e-02 -1.13235625e-12 7.21257974e-02] [ 7.21257974e-02 -5.04819884e-12 -7.21257974e-02] [-1.12520027e-01 1.47759756e-12 -1.12520027e-01] [ 4.51675072e-02 -7.80806622e-03 3.30335739e-02] [-4.51675071e-02 -7.80806620e-03 -3.30335739e-02] [ 4.51675072e-02 7.80806623e-03 3.30335739e-02] [-4.51675072e-02 7.80806620e-03 -3.30335739e-02]] Final stress: [-4.42832019e-04 6.66850509e-04 -4.42832019e-04 -2.65879215e-15 3.80544745e-05 -7.64548237e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.50208873e-03 2.05750608e-12 -3.26478347e-02] [-5.50208872e-03 -3.84664522e-13 3.26478347e-02] [-2.71398323e-12 -5.86291395e-02 -6.00331308e-13] [ 1.19942944e-12 5.86291395e-02 -2.70916622e-12] [-3.26478347e-02 4.41717279e-12 5.50208872e-03] [ 3.26478347e-02 3.76992881e-12 -5.50208872e-03] [ 5.50208872e-03 -2.88770180e-12 -3.26478347e-02] [-5.50208872e-03 3.62280518e-13 3.26478347e-02] [ 5.68074233e-13 -5.86291395e-02 -8.67800885e-13] [-1.78917081e-12 5.86291395e-02 1.70455942e-12] [-3.26478347e-02 -2.16286862e-12 5.50208872e-03] [ 3.26478347e-02 -3.99621590e-12 -5.50208872e-03] [-2.82935971e-02 -3.72080907e-02 -2.82935971e-02] [ 2.37340793e-02 -7.50362320e-02 -2.37340793e-02] [ 2.82935971e-02 -3.72080907e-02 2.82935971e-02] [-2.37340793e-02 -7.50362320e-02 2.37340793e-02] [-2.37340793e-02 7.50362320e-02 2.37340793e-02] [ 2.82935971e-02 3.72080907e-02 2.82935971e-02] [-2.82935971e-02 3.72080907e-02 -2.82935971e-02] [ 2.37340793e-02 7.50362320e-02 -2.37340793e-02] [-2.82935971e-02 -3.72080907e-02 -2.82935971e-02] [ 2.37340793e-02 -7.50362320e-02 -2.37340793e-02] [ 2.82935971e-02 -3.72080907e-02 2.82935971e-02] [-2.37340793e-02 -7.50362320e-02 2.37340793e-02] [-2.37340793e-02 7.50362320e-02 2.37340793e-02] [ 2.82935971e-02 3.72080907e-02 2.82935971e-02] [-2.82935971e-02 3.72080907e-02 -2.82935971e-02] [ 2.37340793e-02 7.50362320e-02 -2.37340793e-02] [ 2.08474904e-12 4.77320961e-12 4.36325975e-12] [-1.61115045e-13 -2.39720853e-11 -8.73177539e-12] [-3.48882527e-02 -7.93299285e-03 4.76816188e-02] [-3.48882527e-02 7.93299284e-03 4.76816187e-02] [ 3.48882527e-02 -7.93299286e-03 -4.76816187e-02] [ 3.48882527e-02 7.93299286e-03 -4.76816187e-02] [-7.38587220e-02 -1.39191991e-11 -7.38587220e-02] [ 1.22663665e-01 -1.67205243e-11 -1.22663665e-01] [-1.22663665e-01 1.89522009e-13 1.22663665e-01] [ 7.38587220e-02 -1.83990670e-12 7.38587220e-02] [ 4.76816187e-02 -7.93299283e-03 -3.48882527e-02] [-4.76816187e-02 -7.93299286e-03 3.48882527e-02] [ 4.76816187e-02 7.93299285e-03 -3.48882527e-02] [-4.76816187e-02 7.93299286e-03 3.48882527e-02] [-3.48882527e-02 -7.93299286e-03 4.76816187e-02] [-3.48882527e-02 7.93299285e-03 4.76816187e-02] [ 3.48882527e-02 -7.93299284e-03 -4.76816187e-02] [ 3.48882527e-02 7.93299284e-03 -4.76816187e-02] [-7.38587220e-02 2.27496426e-12 -7.38587220e-02] [ 1.22663665e-01 5.54097133e-12 -1.22663665e-01] [-1.22663665e-01 -1.14815336e-11 1.22663665e-01] [ 7.38587220e-02 2.36153458e-12 7.38587220e-02] [ 4.76816187e-02 -7.93299285e-03 -3.48882527e-02] [-4.76816187e-02 -7.93299285e-03 3.48882527e-02] [ 4.76816187e-02 7.93299285e-03 -3.48882527e-02] [-4.76816188e-02 7.93299287e-03 3.48882527e-02]] Final stress: [-4.41896012e-04 5.77873033e-04 -4.41896012e-04 9.11205815e-16 -5.04785801e-05 -2.62387368e-15] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.07449348e-02 -2.03695875e-03 4.33651942e-12] [-5.07449348e-02 2.03695875e-03 2.15147344e-12] [-6.47489320e-03 -9.82142910e-03 7.55990539e-13] [ 6.47489320e-03 9.82142911e-03 -2.19912977e-12] [-1.34219762e-12 -2.64264218e-12 4.88147978e-02] [-5.95432037e-12 -3.55909746e-13 -4.88147978e-02] [ 5.07449348e-02 -2.03695875e-03 -3.16171371e-12] [-5.07449348e-02 2.03695875e-03 -3.69870419e-12] [-6.47489320e-03 -9.82142909e-03 -3.77613854e-12] [ 6.47489320e-03 9.82142911e-03 4.75658912e-13] [ 3.16538332e-12 1.12436757e-12 4.88147978e-02] [ 1.78025216e-12 1.48289078e-12 -4.88147978e-02] [-3.32441220e-02 -1.85756617e-02 4.71208745e-03] [ 3.32441220e-02 1.85756617e-02 4.71208744e-03] [ 5.30304613e-03 1.87659925e-02 4.70102282e-02] [-5.30304613e-03 -1.87659925e-02 4.70102282e-02] [-3.32441220e-02 -1.85756617e-02 -4.71208743e-03] [ 3.32441220e-02 1.85756617e-02 -4.71208743e-03] [-5.30304613e-03 -1.87659925e-02 -4.70102282e-02] [ 5.30304613e-03 1.87659925e-02 -4.70102282e-02] [-3.32441220e-02 -1.85756617e-02 4.71208744e-03] [ 3.32441221e-02 1.85756617e-02 4.71208744e-03] [ 5.30304613e-03 1.87659925e-02 4.70102282e-02] [-5.30304613e-03 -1.87659925e-02 4.70102282e-02] [-3.32441220e-02 -1.85756617e-02 -4.71208744e-03] [ 3.32441220e-02 1.85756617e-02 -4.71208745e-03] [-5.30304613e-03 -1.87659925e-02 -4.70102282e-02] [ 5.30304614e-03 1.87659925e-02 -4.70102282e-02] [-1.16616994e-11 -1.32730493e-11 2.47011578e-11] [-2.28648181e-11 -3.51290860e-12 -1.89241968e-12] [ 9.04091268e-02 4.06392229e-02 -4.43237993e-02] [-9.04091268e-02 -4.06392229e-02 -4.43237993e-02] [ 9.04091268e-02 4.06392229e-02 4.43237993e-02] [-9.04091268e-02 -4.06392229e-02 4.43237993e-02] [-1.27336997e-02 8.05853047e-02 -1.42916827e-02] [-1.27336998e-02 8.05853047e-02 1.42916826e-02] [ 1.27336997e-02 -8.05853047e-02 -1.42916826e-02] [ 1.27336997e-02 -8.05853047e-02 1.42916826e-02] [-1.78406160e-02 6.70095535e-02 -1.86304305e-11] [ 7.21965957e-02 8.57211040e-03 -2.11536604e-11] [-7.21965957e-02 -8.57211034e-03 -9.24390252e-12] [ 1.78406160e-02 -6.70095535e-02 -7.74750998e-12] [ 9.04091268e-02 4.06392229e-02 -4.43237993e-02] [-9.04091268e-02 -4.06392229e-02 -4.43237993e-02] [ 9.04091268e-02 4.06392229e-02 4.43237993e-02] [-9.04091268e-02 -4.06392229e-02 4.43237993e-02] [-1.27336998e-02 8.05853047e-02 -1.42916826e-02] [-1.27336997e-02 8.05853047e-02 1.42916827e-02] [ 1.27336997e-02 -8.05853047e-02 -1.42916826e-02] [ 1.27336997e-02 -8.05853047e-02 1.42916827e-02] [-1.78406160e-02 6.70095535e-02 7.59298218e-12] [ 7.21965957e-02 8.57211039e-03 1.14799837e-11] [-7.21965957e-02 -8.57211036e-03 9.80193141e-12] [ 1.78406160e-02 -6.70095535e-02 1.84147493e-11]] Final stress: [-3.03110075e-04 1.05678730e-03 -2.84430622e-04 -2.17824748e-15 9.62087016e-15 8.98316871e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[ 2.63588394e-02 -2.27453010e-02 1.39977144e-11] [-2.63588392e-02 2.27453009e-02 -9.54723800e-11] [-2.89286894e-02 -4.09944085e-02 1.00498568e-10] [ 2.89286895e-02 4.09944086e-02 4.56695792e-12] [-1.81393031e-10 1.03007559e-10 -4.33253606e-02] [-7.87813703e-11 -1.55501889e-10 4.33253607e-02] [ 2.63588392e-02 -2.27453010e-02 7.91917363e-11] [-2.63588392e-02 2.27453009e-02 8.38816074e-11] [-2.89286896e-02 -4.09944090e-02 -5.38555994e-11] [ 2.89286894e-02 4.09944082e-02 7.05097772e-11] [ 1.32349206e-10 -1.79435910e-10 -4.33253606e-02] [ 6.39362911e-11 -1.47260481e-10 4.33253605e-02] [-3.83434563e-02 2.70319549e-02 2.52536689e-02] [ 3.83434560e-02 -2.70319554e-02 2.52536690e-02] [ 1.53060673e-02 1.67610898e-02 1.66392406e-02] [-1.53060674e-02 -1.67610898e-02 1.66392404e-02] [-3.83434563e-02 2.70319553e-02 -2.52536688e-02] [ 3.83434562e-02 -2.70319555e-02 -2.52536689e-02] [-1.53060675e-02 -1.67610896e-02 -1.66392405e-02] [ 1.53060677e-02 1.67610900e-02 -1.66392407e-02] [-3.83434561e-02 2.70319552e-02 2.52536689e-02] [ 3.83434560e-02 -2.70319552e-02 2.52536689e-02] [ 1.53060674e-02 1.67610895e-02 1.66392406e-02] [-1.53060673e-02 -1.67610899e-02 1.66392407e-02] [-3.83434564e-02 2.70319556e-02 -2.52536690e-02] [ 3.83434562e-02 -2.70319550e-02 -2.52536689e-02] [-1.53060675e-02 -1.67610901e-02 -1.66392408e-02] [ 1.53060674e-02 1.67610901e-02 -1.66392408e-02] [-1.24749822e-10 9.37899203e-11 -4.86044260e-11] [ 1.85262822e-10 8.82639365e-10 1.50560258e-10] [-1.55356069e-02 2.01787850e-04 -2.65617814e-03] [ 1.55356069e-02 -2.01787642e-04 -2.65617804e-03] [-1.55356064e-02 2.01787448e-04 2.65617797e-03] [ 1.55356066e-02 -2.01787781e-04 2.65617803e-03] [ 1.88312863e-02 1.71963042e-02 1.24663694e-02] [ 1.88312862e-02 1.71963035e-02 -1.24663695e-02] [-1.88312865e-02 -1.71963041e-02 1.24663691e-02] [-1.88312860e-02 -1.71963038e-02 -1.24663690e-02] [-4.01242330e-02 -1.78234154e-02 -3.81919052e-10] [ 3.06591109e-02 -5.49635858e-02 4.26025468e-10] [-3.06591116e-02 5.49635856e-02 1.37864196e-10] [ 4.01242331e-02 1.78234153e-02 7.42177685e-11] [-1.55356070e-02 2.01785483e-04 -2.65617601e-03] [ 1.55356069e-02 -2.01784917e-04 -2.65617544e-03] [-1.55356063e-02 2.01785238e-04 2.65617566e-03] [ 1.55356069e-02 -2.01784925e-04 2.65617569e-03] [ 1.88312897e-02 1.71963043e-02 1.24663656e-02] [ 1.88312898e-02 1.71963034e-02 -1.24663656e-02] [-1.88312895e-02 -1.71963041e-02 1.24663659e-02] [-1.88312898e-02 -1.71963034e-02 -1.24663659e-02] [-4.01242354e-02 -1.78234128e-02 -7.97372523e-11] [ 3.06591136e-02 -5.49635835e-02 8.91939250e-11] [-3.06591135e-02 5.49635833e-02 3.12143850e-10] [ 4.01242355e-02 1.78234132e-02 7.21909871e-11]] Final stress: [-1.87260095e-03 -5.13378867e-04 -1.21725400e-03 8.57963461e-14 -6.24225867e-14 -2.81069468e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.03848133e-02 3.43882908e-14 7.03677568e-14] [-2.03848133e-02 -1.46271883e-14 3.12250226e-14] [-8.03224674e-14 2.03848133e-02 -1.37563572e-14] [ 1.07414078e-14 -2.03848133e-02 -4.51305660e-14] [ 3.79136826e-14 -1.02812724e-13 2.71400295e-02] [ 7.59392549e-14 -4.78783679e-14 -2.71400295e-02] [ 2.03848133e-02 -5.80802767e-14 -5.30100156e-14] [-2.03848133e-02 3.47829404e-14 -4.70615110e-14] [-6.06979744e-15 2.03848133e-02 -3.77916444e-14] [-6.94197304e-14 -2.03848133e-02 3.78222163e-15] [ 2.75695265e-14 -9.36891834e-14 2.71400295e-02] [ 6.31395977e-15 -1.17441774e-13 -2.71400295e-02] [ 5.89470576e-03 5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 -5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 -5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 5.89470576e-03 2.69475198e-03] [-5.89470576e-03 -5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 -5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 5.89470576e-03 -2.69475198e-03] [ 5.89470576e-03 5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 -5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 -5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 5.89470576e-03 2.69475198e-03] [-5.89470576e-03 -5.89470576e-03 2.69475198e-03] [ 5.89470576e-03 -5.89470576e-03 -2.69475198e-03] [-5.89470576e-03 5.89470576e-03 -2.69475198e-03] [ 1.34531275e-13 -8.11017919e-14 5.41455769e-13] [-9.25340533e-14 1.83097636e-14 -5.26387517e-13] [ 4.66293670e-14 9.59256601e-03 5.37352846e-04] [ 1.44155521e-14 -9.59256601e-03 5.37352846e-04] [ 2.02095285e-14 9.59256601e-03 -5.37352847e-04] [-8.19431328e-14 -9.59256601e-03 -5.37352847e-04] [ 9.59256601e-03 2.32147634e-13 5.37352846e-04] [ 9.59256601e-03 8.51714532e-14 -5.37352847e-04] [-9.59256601e-03 2.71170239e-13 5.37352846e-04] [-9.59256601e-03 1.22185248e-13 -5.37352847e-04] [ 1.41907287e-02 1.41907287e-02 -5.00266495e-13] [-1.41907287e-02 1.41907287e-02 -4.41731721e-13] [ 1.41907287e-02 -1.41907287e-02 -4.52816604e-13] [-1.41907287e-02 -1.41907287e-02 -3.07835354e-13] [-2.31733036e-14 9.59256601e-03 5.37352847e-04] [ 1.74901760e-13 -9.59256601e-03 5.37352846e-04] [ 1.31743574e-14 9.59256601e-03 -5.37352846e-04] [ 1.26264884e-13 -9.59256601e-03 -5.37352845e-04] [ 9.59256601e-03 -1.00540512e-13 5.37352847e-04] [ 9.59256601e-03 -9.77406090e-14 -5.37352846e-04] [-9.59256601e-03 -3.33991949e-13 5.37352847e-04] [-9.59256601e-03 -4.06218895e-13 -5.37352846e-04] [ 1.41907287e-02 1.41907287e-02 5.57354897e-13] [-1.41907287e-02 1.41907287e-02 4.97887369e-13] [ 1.41907287e-02 -1.41907287e-02 5.47731836e-13] [-1.41907287e-02 -1.41907287e-02 5.38181479e-13]] Final stress: [ 1.88183330e-04 1.88183330e-04 -7.72864741e-04 -3.49024907e-17 1.13017589e-16 -1.37947939e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.25646309e-02 4.39169534e-13 -4.73378715e-13] [ 1.25646309e-02 3.70259379e-13 -9.07329767e-14] [ 3.66538397e-14 -1.25646309e-02 4.09286320e-14] [-3.67678110e-13 1.25646309e-02 -1.23345778e-13] [-1.44570445e-13 -1.43768732e-13 -5.06051514e-02] [-2.03864703e-13 3.58102437e-13 5.06051514e-02] [-1.25646309e-02 -1.12178409e-12 -5.05019493e-13] [ 1.25646309e-02 -6.79984864e-13 -3.26253476e-13] [ 3.87379365e-13 -1.25646309e-02 -6.70277871e-13] [ 1.42308474e-13 1.25646309e-02 2.88362369e-13] [ 4.57071880e-13 -3.81372141e-13 -5.06051514e-02] [ 1.92582061e-13 -3.06765977e-13 5.06051514e-02] [-3.25046710e-02 -3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 -3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 -3.25046710e-02 -2.04847073e-02] [ 3.25046710e-02 3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 -3.25046710e-02 2.04847073e-02] [-3.25046710e-02 -3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 -3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 -3.25046710e-02 -2.04847073e-02] [ 3.25046710e-02 3.25046710e-02 -2.04847073e-02] [-3.25046710e-02 3.25046710e-02 2.04847073e-02] [ 3.25046710e-02 -3.25046710e-02 2.04847073e-02] [-4.31227276e-12 8.55066018e-13 -8.87317997e-13] [-6.28762233e-13 1.29340669e-12 4.50935207e-13] [ 1.46871404e-12 -8.86247479e-04 1.17239927e-02] [ 6.40945630e-13 8.86247480e-04 1.17239927e-02] [ 4.34490985e-13 -8.86247477e-04 -1.17239927e-02] [ 1.16642798e-12 8.86247479e-04 -1.17239927e-02] [-8.86247481e-04 -6.70574707e-14 1.17239927e-02] [-8.86247479e-04 -8.67413780e-13 -1.17239927e-02] [ 8.86247483e-04 2.40531033e-12 1.17239927e-02] [ 8.86247481e-04 1.06037791e-12 -1.17239927e-02] [-5.14216042e-02 -5.14216042e-02 1.75492954e-12] [ 5.14216042e-02 -5.14216042e-02 2.69176695e-12] [-5.14216042e-02 5.14216042e-02 2.18604995e-12] [ 5.14216042e-02 5.14216042e-02 2.47988609e-12] [-1.18323493e-12 -8.86247480e-04 1.17239927e-02] [ 3.65097709e-13 8.86247479e-04 1.17239927e-02] [-2.88331555e-12 -8.86247483e-04 -1.17239927e-02] [ 4.96023361e-13 8.86247481e-04 -1.17239927e-02] [-8.86247475e-04 -3.34046864e-13 1.17239927e-02] [-8.86247479e-04 5.00037132e-13 -1.17239927e-02] [ 8.86247479e-04 1.25110512e-12 1.17239927e-02] [ 8.86247482e-04 1.05867919e-12 -1.17239927e-02] [-5.14216042e-02 -5.14216042e-02 -2.28934566e-12] [ 5.14216042e-02 -5.14216042e-02 -1.33441628e-12] [-5.14216042e-02 5.14216042e-02 -1.99742978e-12] [ 5.14216042e-02 5.14216042e-02 -2.33703638e-12]] Final stress: [-5.28923205e-04 -5.28923205e-04 -2.87504058e-04 -1.36535428e-15 -8.38171199e-16 8.66442847e-16] Minimization converged after 50 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.96998127e-04 -3.27437730e-14 4.75747913e-15] [-9.96998127e-04 8.39328607e-14 6.38378239e-15] [ 1.26872471e-13 1.01001078e-03 -3.08711947e-04] [-2.48689958e-14 -1.01001078e-03 3.08711947e-04] [-7.29364485e-14 -3.03159064e-04 -8.86390154e-04] [ 4.28546088e-14 3.03159064e-04 8.86390154e-04] [ 9.96998128e-04 1.63640802e-14 1.44930254e-14] [-9.96998127e-04 -5.33492521e-14 -2.75888160e-14] [-1.07868575e-13 1.01001078e-03 -3.08711947e-04] [ 1.44454761e-14 -1.01001078e-03 3.08711947e-04] [ 4.21212544e-14 -3.03159064e-04 -8.86390154e-04] [ 4.36833729e-14 3.03159064e-04 8.86390154e-04] [ 3.52985706e-05 -8.29031802e-04 -3.27720154e-04] [ 1.03855163e-03 1.62030326e-04 3.41348033e-04] [ 1.03855163e-03 -1.62030326e-04 -3.41348033e-04] [ 3.52985705e-05 8.29031802e-04 3.27720154e-04] [-1.03855163e-03 -1.62030326e-04 -3.41348033e-04] [-3.52985704e-05 8.29031802e-04 3.27720155e-04] [-1.03855163e-03 1.62030326e-04 3.41348033e-04] [-3.52985708e-05 -8.29031802e-04 -3.27720154e-04] [ 3.52985705e-05 -8.29031802e-04 -3.27720154e-04] [ 1.03855163e-03 1.62030326e-04 3.41348033e-04] [ 1.03855163e-03 -1.62030326e-04 -3.41348033e-04] [ 3.52985706e-05 8.29031802e-04 3.27720154e-04] [-1.03855163e-03 -1.62030326e-04 -3.41348033e-04] [-3.52985706e-05 8.29031802e-04 3.27720154e-04] [-1.03855163e-03 1.62030326e-04 3.41348033e-04] [-3.52985705e-05 -8.29031802e-04 -3.27720154e-04] [ 1.63563607e-13 -1.95787830e-13 2.92987856e-13] [-1.86533948e-13 -5.14338278e-13 -1.22784528e-14] [-1.60316205e-13 -6.91199453e-04 1.30553000e-03] [-2.11688306e-13 1.84835941e-03 1.18329369e-04] [-1.13069276e-13 -1.84835941e-03 -1.18329369e-04] [-1.69964737e-13 6.91199453e-04 -1.30553000e-03] [-1.26994300e-03 1.88437394e-03 7.12398359e-04] [-1.26994300e-03 -1.88437394e-03 -7.12398359e-04] [ 1.26994300e-03 1.88437394e-03 7.12398358e-04] [ 1.26994300e-03 -1.88437394e-03 -7.12398359e-04] [-8.21566677e-04 -8.20924979e-04 1.89313123e-03] [ 8.21566677e-04 -8.20924979e-04 1.89313123e-03] [-8.21566678e-04 8.20924978e-04 -1.89313123e-03] [ 8.21566677e-04 8.20924979e-04 -1.89313123e-03] [ 4.00798318e-13 -6.91199453e-04 1.30553000e-03] [-9.20799895e-14 1.84835941e-03 1.18329369e-04] [ 2.54563731e-13 -1.84835940e-03 -1.18329368e-04] [-4.55156746e-14 6.91199453e-04 -1.30553000e-03] [-1.26994300e-03 1.88437394e-03 7.12398358e-04] [-1.26994300e-03 -1.88437394e-03 -7.12398358e-04] [ 1.26994300e-03 1.88437394e-03 7.12398359e-04] [ 1.26994300e-03 -1.88437394e-03 -7.12398359e-04] [-8.21566677e-04 -8.20924979e-04 1.89313123e-03] [ 8.21566678e-04 -8.20924979e-04 1.89313123e-03] [-8.21566677e-04 8.20924979e-04 -1.89313123e-03] [ 8.21566677e-04 8.20924979e-04 -1.89313123e-03]] Final stress: [-5.55661157e-05 -5.55443428e-05 2.99953921e-05 6.85647590e-05 3.15929024e-17 -3.65812554e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.72938447e-02 -6.12442866e-12 1.35920789e-13] [-2.72938447e-02 -1.50601753e-12 -2.59858801e-12] [-4.65599347e-13 3.39612878e-02 2.66938997e-02] [-2.54002375e-12 -3.39612878e-02 -2.66938997e-02] [ 6.09956963e-13 2.75107477e-02 -2.00112289e-02] [ 4.46837012e-13 -2.75107477e-02 2.00112289e-02] [ 2.72938447e-02 7.74890178e-12 -5.56293426e-13] [-2.72938447e-02 -3.15919860e-12 -8.11075181e-13] [-2.55745251e-12 3.39612878e-02 2.66938997e-02] [ 3.81046106e-12 -3.39612878e-02 -2.66938997e-02] [-1.58149752e-12 2.75107477e-02 -2.00112289e-02] [-2.43525772e-12 -2.75107477e-02 2.00112289e-02] [-5.59777011e-02 -3.40680757e-02 9.38285012e-03] [ 3.51768419e-04 1.65002430e-02 2.31106361e-03] [ 3.51768414e-04 -1.65002430e-02 -2.31106362e-03] [-5.59777011e-02 3.40680757e-02 -9.38285012e-03] [-3.51768418e-04 -1.65002430e-02 -2.31106362e-03] [ 5.59777012e-02 3.40680757e-02 -9.38285012e-03] [-3.51768416e-04 1.65002430e-02 2.31106361e-03] [ 5.59777011e-02 -3.40680757e-02 9.38285012e-03] [-5.59777011e-02 -3.40680757e-02 9.38285012e-03] [ 3.51768416e-04 1.65002430e-02 2.31106362e-03] [ 3.51768421e-04 -1.65002430e-02 -2.31106362e-03] [-5.59777011e-02 3.40680757e-02 -9.38285012e-03] [-3.51768416e-04 -1.65002430e-02 -2.31106361e-03] [ 5.59777011e-02 3.40680757e-02 -9.38285012e-03] [-3.51768420e-04 1.65002430e-02 2.31106362e-03] [ 5.59777011e-02 -3.40680757e-02 9.38285012e-03] [ 4.11060075e-12 -2.22577512e-12 1.05845332e-11] [-6.80867689e-13 -1.40335738e-12 1.58408446e-11] [-2.14082085e-11 -1.28803055e-01 -7.88156553e-03] [ 6.82659484e-12 -1.40642721e-02 1.36953037e-01] [-2.24952851e-11 1.40642721e-02 -1.36953037e-01] [ 5.83473557e-12 1.28803055e-01 7.88156553e-03] [-5.59011129e-02 -7.30502951e-02 7.24021699e-02] [-5.59011129e-02 7.30502951e-02 -7.24021699e-02] [ 5.59011129e-02 -7.30502951e-02 7.24021698e-02] [ 5.59011129e-02 7.30502951e-02 -7.24021699e-02] [-9.94777690e-03 -5.26718748e-03 -5.52529934e-02] [ 9.94777690e-03 -5.26718748e-03 -5.52529934e-02] [-9.94777692e-03 5.26718747e-03 5.52529934e-02] [ 9.94777690e-03 5.26718748e-03 5.52529934e-02] [ 1.12278043e-11 -1.28803055e-01 -7.88156557e-03] [-1.29808057e-12 -1.40642721e-02 1.36953037e-01] [ 2.30844697e-11 1.40642721e-02 -1.36953037e-01] [-2.92824228e-12 1.28803055e-01 7.88156557e-03] [-5.59011130e-02 -7.30502951e-02 7.24021699e-02] [-5.59011130e-02 7.30502951e-02 -7.24021699e-02] [ 5.59011130e-02 -7.30502951e-02 7.24021699e-02] [ 5.59011130e-02 7.30502951e-02 -7.24021699e-02] [-9.94777684e-03 -5.26718754e-03 -5.52529934e-02] [ 9.94777683e-03 -5.26718754e-03 -5.52529934e-02] [-9.94777682e-03 5.26718758e-03 5.52529934e-02] [ 9.94777687e-03 5.26718751e-03 5.52529934e-02]] Final stress: [-4.74894869e-04 -5.80858862e-04 6.77255367e-04 8.72777691e-05 2.85001235e-15 -5.76986164e-16] Minimization converged after 48 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.64124426e-03 5.89545773e-14 -7.08813293e-04] [-3.64124426e-03 1.74499304e-13 7.08813293e-04] [ 4.27531274e-13 3.58301119e-03 -1.97109256e-13] [-1.89570581e-14 -3.58301119e-03 3.41393580e-14] [-7.17510308e-04 -1.98153560e-13 -2.87680638e-03] [ 7.17510308e-04 -2.20934382e-14 2.87680637e-03] [ 3.64124426e-03 4.83077120e-15 -7.08813293e-04] [-3.64124426e-03 1.11859307e-14 7.08813293e-04] [-1.47716041e-14 3.58301119e-03 2.33826080e-14] [-2.43181343e-13 -3.58301119e-03 -5.85222250e-14] [-7.17510308e-04 1.72508849e-13 -2.87680638e-03] [ 7.17510308e-04 2.91448003e-13 2.87680638e-03] [-3.07593140e-03 3.14631772e-04 -1.58040689e-03] [ 3.84184394e-04 3.83683748e-03 1.17512042e-03] [ 3.07593141e-03 3.14631771e-04 1.58040689e-03] [-3.84184394e-04 3.83683748e-03 -1.17512042e-03] [-3.84184394e-04 -3.83683748e-03 -1.17512042e-03] [ 3.07593141e-03 -3.14631771e-04 1.58040689e-03] [-3.07593140e-03 -3.14631772e-04 -1.58040689e-03] [ 3.84184395e-04 -3.83683748e-03 1.17512042e-03] [-3.07593141e-03 3.14631771e-04 -1.58040689e-03] [ 3.84184394e-04 3.83683748e-03 1.17512043e-03] [ 3.07593140e-03 3.14631771e-04 1.58040689e-03] [-3.84184395e-04 3.83683748e-03 -1.17512042e-03] [-3.84184394e-04 -3.83683748e-03 -1.17512042e-03] [ 3.07593141e-03 -3.14631771e-04 1.58040689e-03] [-3.07593141e-03 -3.14631771e-04 -1.58040689e-03] [ 3.84184394e-04 -3.83683748e-03 1.17512043e-03] [ 1.23853705e-12 -1.50837676e-12 5.67046410e-14] [-2.30766578e-12 3.23809509e-13 2.82038432e-13] [ 7.13763468e-03 -4.56720639e-03 2.34371552e-03] [ 7.13763468e-03 4.56720639e-03 2.34371552e-03] [-7.13763469e-03 -4.56720639e-03 -2.34371552e-03] [-7.13763469e-03 4.56720639e-03 -2.34371552e-03] [-2.46310870e-03 -1.24289468e-12 4.49204177e-03] [-6.65292778e-03 -1.51788304e-15 -1.90060700e-04] [ 6.65292777e-03 7.19497378e-13 1.90060697e-04] [ 2.46310870e-03 5.02079281e-13 -4.49204176e-03] [-2.70637860e-03 -2.71804222e-03 7.09812893e-03] [ 2.70637859e-03 -2.71804222e-03 -7.09812893e-03] [-2.70637859e-03 2.71804222e-03 7.09812893e-03] [ 2.70637859e-03 2.71804222e-03 -7.09812893e-03] [ 7.13763469e-03 -4.56720639e-03 2.34371552e-03] [ 7.13763469e-03 4.56720639e-03 2.34371552e-03] [-7.13763468e-03 -4.56720639e-03 -2.34371552e-03] [-7.13763468e-03 4.56720639e-03 -2.34371552e-03] [-2.46310870e-03 -4.55581193e-13 4.49204177e-03] [-6.65292778e-03 -2.83125520e-13 -1.90060700e-04] [ 6.65292778e-03 -6.45613337e-13 1.90060701e-04] [ 2.46310870e-03 -3.49426651e-13 -4.49204177e-03] [-2.70637859e-03 -2.71804222e-03 7.09812893e-03] [ 2.70637860e-03 -2.71804222e-03 -7.09812893e-03] [-2.70637859e-03 2.71804222e-03 7.09812893e-03] [ 2.70637859e-03 2.71804222e-03 -7.09812893e-03]] Final stress: [-6.09215278e-05 -6.11874890e-05 1.49333009e-04 -5.67009458e-16 6.59866981e-05 3.22580161e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.01082436e-04 1.21846977e-14 2.29019257e-04] [-1.01082436e-04 1.30451205e-14 -2.29019257e-04] [ 2.90956495e-15 9.83180422e-05 4.02889527e-15] [-1.37945211e-14 -9.83180422e-05 1.56541446e-14] [ 2.25358346e-04 1.60873918e-14 -5.63697429e-04] [-2.25358346e-04 1.68198788e-14 5.63697429e-04] [ 1.01082436e-04 -5.03763697e-15 2.29019257e-04] [-1.01082436e-04 -1.90646110e-15 -2.29019257e-04] [-1.02274959e-14 9.83180422e-05 2.05047057e-15] [-1.85194741e-14 -9.83180422e-05 -1.15782743e-14] [ 2.25358346e-04 -1.27859596e-14 -5.63697429e-04] [-2.25358346e-04 -1.10711068e-14 5.63697429e-04] [-2.10779007e-04 -4.63888764e-04 1.33145396e-04] [ 1.95770750e-04 -5.46728224e-05 1.49308942e-04] [ 2.10779007e-04 -4.63888764e-04 -1.33145396e-04] [-1.95770750e-04 -5.46728224e-05 -1.49308943e-04] [-1.95770750e-04 5.46728224e-05 -1.49308943e-04] [ 2.10779007e-04 4.63888764e-04 -1.33145396e-04] [-2.10779007e-04 4.63888764e-04 1.33145396e-04] [ 1.95770750e-04 5.46728224e-05 1.49308943e-04] [-2.10779007e-04 -4.63888764e-04 1.33145395e-04] [ 1.95770750e-04 -5.46728224e-05 1.49308943e-04] [ 2.10779007e-04 -4.63888764e-04 -1.33145396e-04] [-1.95770750e-04 -5.46728224e-05 -1.49308942e-04] [-1.95770750e-04 5.46728224e-05 -1.49308942e-04] [ 2.10779007e-04 4.63888764e-04 -1.33145396e-04] [-2.10779007e-04 4.63888764e-04 1.33145396e-04] [ 1.95770750e-04 5.46728224e-05 1.49308942e-04] [ 5.73707748e-14 6.95832281e-14 -7.71605002e-15] [-6.18099322e-14 5.64236571e-15 1.77031674e-14] [-3.80102350e-04 -1.50921606e-04 1.12831894e-04] [-3.80102350e-04 1.50921606e-04 1.12831894e-04] [ 3.80102350e-04 -1.50921606e-04 -1.12831894e-04] [ 3.80102350e-04 1.50921606e-04 -1.12831894e-04] [-5.24552984e-04 -1.31672451e-13 -2.63422050e-04] [ 2.22741176e-04 -9.73318648e-14 -4.89426783e-04] [-2.22741176e-04 -5.95756083e-14 4.89426783e-04] [ 5.24552985e-04 -1.55812863e-14 2.63422050e-04] [-3.54917624e-04 -3.54766772e-04 -3.84024427e-04] [ 3.54917624e-04 -3.54766773e-04 3.84024427e-04] [-3.54917625e-04 3.54766772e-04 -3.84024427e-04] [ 3.54917624e-04 3.54766773e-04 3.84024427e-04] [-3.80102350e-04 -1.50921606e-04 1.12831894e-04] [-3.80102350e-04 1.50921606e-04 1.12831894e-04] [ 3.80102350e-04 -1.50921606e-04 -1.12831894e-04] [ 3.80102350e-04 1.50921606e-04 -1.12831894e-04] [-5.24552984e-04 5.65941612e-14 -2.63422050e-04] [ 2.22741176e-04 6.53090863e-14 -4.89426783e-04] [-2.22741176e-04 1.48690088e-13 4.89426783e-04] [ 5.24552985e-04 6.40980324e-14 2.63422050e-04] [-3.54917624e-04 -3.54766772e-04 -3.84024426e-04] [ 3.54917624e-04 -3.54766772e-04 3.84024427e-04] [-3.54917624e-04 3.54766773e-04 -3.84024426e-04] [ 3.54917624e-04 3.54766773e-04 3.84024427e-04]] Final stress: [-5.64083370e-05 -5.64205661e-05 3.43805199e-06 1.49650590e-17 -6.87272316e-05 1.49650590e-17] Minimization converged after 37 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.81709705e-03 2.73277847e-02 2.03263881e-12] [-2.81709706e-03 -2.73277847e-02 6.62750410e-12] [ 2.73277847e-02 2.81709706e-03 5.20447400e-14] [-2.73277847e-02 -2.81709706e-03 -1.92978966e-12] [ 1.33044270e-12 -2.78488148e-12 -5.61854291e-02] [-1.14869225e-12 -1.28150268e-12 5.61854291e-02] [ 2.81709706e-03 2.73277847e-02 7.32684014e-13] [-2.81709706e-03 -2.73277847e-02 -2.08087508e-12] [ 2.73277847e-02 2.81709705e-03 2.40650591e-12] [-2.73277847e-02 -2.81709706e-03 9.03592358e-13] [-2.79330075e-12 2.44369645e-12 -5.61854291e-02] [-1.55454946e-12 9.66644534e-13 5.61854291e-02] [-2.15622285e-02 -2.15622285e-02 7.12958212e-02] [ 2.15622285e-02 2.15622285e-02 7.12958212e-02] [ 2.66915225e-02 -2.66915225e-02 3.30962393e-02] [-2.66915225e-02 2.66915225e-02 3.30962393e-02] [-2.15622285e-02 -2.15622285e-02 -7.12958211e-02] [ 2.15622285e-02 2.15622285e-02 -7.12958211e-02] [-2.66915225e-02 2.66915225e-02 -3.30962393e-02] [ 2.66915225e-02 -2.66915225e-02 -3.30962393e-02] [-2.15622285e-02 -2.15622285e-02 7.12958211e-02] [ 2.15622285e-02 2.15622285e-02 7.12958211e-02] [ 2.66915225e-02 -2.66915224e-02 3.30962393e-02] [-2.66915225e-02 2.66915225e-02 3.30962393e-02] [-2.15622285e-02 -2.15622285e-02 -7.12958212e-02] [ 2.15622285e-02 2.15622285e-02 -7.12958212e-02] [-2.66915224e-02 2.66915225e-02 -3.30962393e-02] [ 2.66915225e-02 -2.66915225e-02 -3.30962393e-02] [ 7.46699924e-12 -1.16813503e-11 -4.16408574e-12] [-5.67036825e-12 1.01596283e-11 -1.10563747e-11] [ 3.21482404e-02 4.33825871e-02 -6.81771971e-03] [-3.21482404e-02 -4.33825871e-02 -6.81771967e-03] [ 3.21482404e-02 4.33825871e-02 6.81771969e-03] [-3.21482404e-02 -4.33825871e-02 6.81771966e-03] [ 4.33825871e-02 3.21482404e-02 -6.81771966e-03] [ 4.33825871e-02 3.21482404e-02 6.81771966e-03] [-4.33825871e-02 -3.21482404e-02 -6.81771967e-03] [-4.33825871e-02 -3.21482404e-02 6.81771967e-03] [ 1.09264031e-01 1.09264031e-01 -6.54365451e-12] [ 7.18861893e-02 -7.18861894e-02 -5.00837219e-12] [-7.18861893e-02 7.18861894e-02 2.15723620e-12] [-1.09264031e-01 -1.09264031e-01 -5.89988822e-12] [ 3.21482404e-02 4.33825871e-02 -6.81771966e-03] [-3.21482404e-02 -4.33825871e-02 -6.81771968e-03] [ 3.21482404e-02 4.33825871e-02 6.81771966e-03] [-3.21482404e-02 -4.33825871e-02 6.81771966e-03] [ 4.33825871e-02 3.21482404e-02 -6.81771968e-03] [ 4.33825871e-02 3.21482404e-02 6.81771970e-03] [-4.33825871e-02 -3.21482404e-02 -6.81771967e-03] [-4.33825871e-02 -3.21482404e-02 6.81771969e-03] [ 1.09264031e-01 1.09264031e-01 3.48386353e-13] [ 7.18861893e-02 -7.18861893e-02 1.84022583e-12] [-7.18861894e-02 7.18861893e-02 7.46764208e-12] [-1.09264031e-01 -1.09264031e-01 1.48495669e-12]] Final stress: [-4.39018212e-04 -4.39018212e-04 6.90908698e-04 7.81508637e-17 4.17192590e-15 2.83558218e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 4.80449363e-03 -3.17073543e-02 2.45593693e-12] [-4.80449363e-03 3.17073543e-02 -2.49888998e-12] [-3.17073543e-02 4.80449363e-03 2.13626989e-12] [ 3.17073543e-02 -4.80449362e-03 -9.01057007e-13] [-2.26124826e-12 -3.96912971e-13 -5.80431220e-02] [ 2.80997448e-13 8.48515702e-13 5.80431220e-02] [ 4.80449363e-03 -3.17073543e-02 7.44011387e-13] [-4.80449363e-03 3.17073543e-02 -2.46045066e-12] [-3.17073543e-02 4.80449363e-03 2.53835653e-12] [ 3.17073543e-02 -4.80449363e-03 1.25735076e-12] [-2.63011054e-12 1.62090397e-13 -5.80431220e-02] [ 8.06280390e-13 -2.12110580e-13 5.80431220e-02] [-2.77651030e-02 -2.77651030e-02 -3.63102005e-02] [ 2.77651030e-02 2.77651030e-02 -3.63102005e-02] [ 2.32582433e-02 -2.32582433e-02 -7.43296288e-02] [-2.32582433e-02 2.32582433e-02 -7.43296288e-02] [-2.77651030e-02 -2.77651030e-02 3.63102005e-02] [ 2.77651030e-02 2.77651030e-02 3.63102005e-02] [-2.32582433e-02 2.32582433e-02 7.43296288e-02] [ 2.32582433e-02 -2.32582433e-02 7.43296288e-02] [-2.77651030e-02 -2.77651030e-02 -3.63102005e-02] [ 2.77651030e-02 2.77651030e-02 -3.63102005e-02] [ 2.32582433e-02 -2.32582433e-02 -7.43296288e-02] [-2.32582433e-02 2.32582433e-02 -7.43296288e-02] [-2.77651030e-02 -2.77651030e-02 3.63102005e-02] [ 2.77651030e-02 2.77651030e-02 3.63102005e-02] [-2.32582433e-02 2.32582433e-02 7.43296288e-02] [ 2.32582433e-02 -2.32582433e-02 7.43296288e-02] [-8.18428658e-13 -4.59463023e-12 2.99885117e-12] [-1.00926394e-11 -9.82092529e-12 -3.14290925e-12] [-3.43370646e-02 4.70885594e-02 -8.13902345e-03] [ 3.43370646e-02 -4.70885594e-02 -8.13902344e-03] [-3.43370646e-02 4.70885594e-02 8.13902347e-03] [ 3.43370646e-02 -4.70885594e-02 8.13902345e-03] [ 4.70885594e-02 -3.43370646e-02 -8.13902343e-03] [ 4.70885594e-02 -3.43370646e-02 8.13902346e-03] [-4.70885594e-02 3.43370645e-02 -8.13902346e-03] [-4.70885594e-02 3.43370646e-02 8.13902346e-03] [-7.31929238e-02 -7.31929238e-02 9.91506877e-12] [-1.19182199e-01 1.19182199e-01 -3.47218782e-13] [ 1.19182199e-01 -1.19182199e-01 4.64307759e-12] [ 7.31929238e-02 7.31929238e-02 2.64597198e-12] [-3.43370646e-02 4.70885595e-02 -8.13902346e-03] [ 3.43370646e-02 -4.70885594e-02 -8.13902345e-03] [-3.43370645e-02 4.70885594e-02 8.13902346e-03] [ 3.43370646e-02 -4.70885594e-02 8.13902343e-03] [ 4.70885594e-02 -3.43370646e-02 -8.13902346e-03] [ 4.70885594e-02 -3.43370646e-02 8.13902345e-03] [-4.70885595e-02 3.43370646e-02 -8.13902345e-03] [-4.70885594e-02 3.43370646e-02 8.13902343e-03] [-7.31929238e-02 -7.31929238e-02 -4.96913922e-12] [-1.19182199e-01 1.19182199e-01 -1.33694593e-11] [ 1.19182199e-01 -1.19182199e-01 -1.96634834e-12] [ 7.31929238e-02 7.31929238e-02 -9.21770603e-12]] Final stress: [-4.43487193e-04 -4.43487193e-04 6.09657305e-04 2.53574611e-15 3.05619761e-15 -4.76560200e-05] Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.42966652e-02 1.42424223e-12 -6.42505840e-12] [ 6.42966652e-02 1.92842964e-12 -5.12695442e-12] [ 1.20767719e-12 1.29336118e-02 1.11412021e-11] [ 5.32182631e-12 -1.29336117e-02 6.34980957e-12] [ 7.38091446e-12 -6.65096060e-12 1.29336117e-02] [ 6.87633284e-12 2.15194529e-12 -1.29336117e-02] [-6.42966652e-02 -5.12593700e-12 4.11428481e-12] [ 6.42966652e-02 -1.02655636e-11 7.67137707e-12] [ 5.78224968e-13 1.29336118e-02 -3.59796326e-13] [ 3.02060287e-12 -1.29336118e-02 -4.38451887e-12] [-5.49564734e-14 3.05782693e-12 1.29336118e-02] [-4.70060015e-12 5.95248283e-12 -1.29336117e-02] [ 7.02140069e-03 -5.25120518e-02 -5.25120518e-02] [-7.02140069e-03 5.25120518e-02 -5.25120518e-02] [-7.02140068e-03 -5.25120518e-02 5.25120518e-02] [ 7.02140070e-03 5.25120518e-02 5.25120518e-02] [ 7.02140069e-03 -5.25120518e-02 5.25120518e-02] [-7.02140069e-03 5.25120518e-02 5.25120518e-02] [ 7.02140070e-03 5.25120518e-02 -5.25120518e-02] [-7.02140070e-03 -5.25120518e-02 -5.25120518e-02] [ 7.02140071e-03 -5.25120518e-02 -5.25120518e-02] [-7.02140069e-03 5.25120518e-02 -5.25120518e-02] [-7.02140069e-03 -5.25120518e-02 5.25120518e-02] [ 7.02140070e-03 5.25120518e-02 5.25120518e-02] [ 7.02140071e-03 -5.25120518e-02 5.25120518e-02] [-7.02140069e-03 5.25120518e-02 5.25120518e-02] [ 7.02140070e-03 5.25120518e-02 -5.25120518e-02] [-7.02140069e-03 -5.25120518e-02 -5.25120518e-02] [-8.71794303e-12 7.36077865e-14 -1.33451583e-11] [ 3.42704142e-12 7.69042039e-13 5.02282511e-12] [-1.01030295e-13 -3.29096128e-02 -3.29096128e-02] [ 1.65447343e-11 3.29096128e-02 -3.29096128e-02] [-1.52912821e-11 -3.29096127e-02 3.29096128e-02] [-3.12877502e-12 3.29096127e-02 3.29096128e-02] [-5.84096953e-03 2.57132093e-11 -1.10999421e-02] [-5.84096951e-03 2.16812896e-11 1.10999421e-02] [ 5.84096952e-03 1.08213404e-11 -1.10999421e-02] [ 5.84096949e-03 5.87924045e-12 1.10999422e-02] [-5.84096955e-03 -1.10999421e-02 -1.42043044e-11] [ 5.84096953e-03 -1.10999421e-02 4.73359199e-13] [-5.84096953e-03 1.10999421e-02 -1.27595287e-11] [ 5.84096953e-03 1.10999421e-02 7.74519335e-12] [ 7.69364961e-12 -3.29096127e-02 -3.29096127e-02] [ 6.74527262e-12 3.29096127e-02 -3.29096128e-02] [ 7.15679971e-12 -3.29096127e-02 3.29096127e-02] [ 3.08098295e-12 3.29096127e-02 3.29096128e-02] [-5.84096950e-03 -2.57514611e-12 -1.10999422e-02] [-5.84096952e-03 -5.64237166e-12 1.10999421e-02] [ 5.84096951e-03 -1.54548249e-13 -1.10999421e-02] [ 5.84096950e-03 -6.28139901e-12 1.10999421e-02] [-5.84096951e-03 -1.10999421e-02 -6.54042076e-12] [ 5.84096949e-03 -1.10999421e-02 -7.60656338e-12] [-5.84096952e-03 1.10999421e-02 -1.88657886e-11] [ 5.84096952e-03 1.10999421e-02 -2.21405073e-11]] Final stress: [-7.46246219e-04 -8.19660104e-04 -8.19660104e-04 -9.21383932e-15 3.55350562e-15 -2.11015378e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.68995864e-03 6.96562599e-13 1.91918530e-13] [-5.68995864e-03 1.81077375e-13 -8.36275493e-13] [ 4.98262456e-13 5.68995864e-03 3.74808691e-13] [ 5.07538456e-13 -5.68995864e-03 -5.10896880e-13] [-8.44757424e-13 -3.99615670e-13 1.23296849e-03] [-2.43111087e-13 -1.32671651e-14 -1.23296849e-03] [ 5.68995865e-03 3.42953096e-13 5.89115124e-14] [-5.68995864e-03 3.36995622e-13 6.49217715e-13] [ 7.58659628e-14 5.68995865e-03 1.61003624e-13] [ 3.96822332e-13 -5.68995864e-03 2.83865074e-13] [ 5.96112569e-13 4.74038593e-13 1.23296849e-03] [-2.67762375e-13 3.14853225e-13 -1.23296849e-03] [ 4.52529777e-04 4.52529776e-04 2.52449571e-03] [-4.52529776e-04 -4.52529775e-04 2.52449571e-03] [-4.52529777e-04 4.52529777e-04 -2.52449571e-03] [ 4.52529777e-04 -4.52529777e-04 -2.52449571e-03] [ 4.52529777e-04 4.52529777e-04 -2.52449571e-03] [-4.52529777e-04 -4.52529777e-04 -2.52449571e-03] [ 4.52529777e-04 -4.52529776e-04 2.52449571e-03] [-4.52529776e-04 4.52529776e-04 2.52449571e-03] [ 4.52529777e-04 4.52529776e-04 2.52449571e-03] [-4.52529776e-04 -4.52529776e-04 2.52449571e-03] [-4.52529776e-04 4.52529775e-04 -2.52449571e-03] [ 4.52529776e-04 -4.52529776e-04 -2.52449571e-03] [ 4.52529776e-04 4.52529775e-04 -2.52449571e-03] [-4.52529776e-04 -4.52529776e-04 -2.52449571e-03] [ 4.52529777e-04 -4.52529777e-04 2.52449571e-03] [-4.52529777e-04 4.52529776e-04 2.52449571e-03] [-4.23300284e-13 9.24038623e-13 -2.23185359e-12] [-1.29452222e-12 -2.24680783e-13 3.05549939e-12] [-1.50368606e-12 -2.70563606e-03 4.05253719e-03] [-6.30433206e-14 2.70563605e-03 4.05253718e-03] [-2.93085695e-12 -2.70563606e-03 -4.05253720e-03] [-2.86009064e-12 2.70563606e-03 -4.05253719e-03] [-2.70563606e-03 -2.61468625e-12 4.05253719e-03] [-2.70563606e-03 -3.37409441e-12 -4.05253720e-03] [ 2.70563605e-03 -3.44480520e-12 4.05253718e-03] [ 2.70563606e-03 -3.92397573e-12 -4.05253719e-03] [-7.63189823e-04 -7.63189825e-04 -4.45044002e-12] [ 7.63189825e-04 -7.63189821e-04 -1.77680266e-12] [-7.63189823e-04 7.63189824e-04 -3.72080144e-12] [ 7.63189827e-04 7.63189818e-04 -2.04368640e-12] [-1.99987900e-12 -2.70563606e-03 4.05253719e-03] [-4.34255062e-13 2.70563606e-03 4.05253719e-03] [ 1.84961508e-12 -2.70563605e-03 -4.05253718e-03] [ 3.04140697e-12 2.70563605e-03 -4.05253719e-03] [-2.70563606e-03 2.03712134e-12 4.05253719e-03] [-2.70563606e-03 3.94307070e-12 -4.05253719e-03] [ 2.70563606e-03 5.71231864e-13 4.05253719e-03] [ 2.70563605e-03 4.11830769e-12 -4.05253719e-03] [-7.63189829e-04 -7.63189821e-04 6.13319820e-12] [ 7.63189835e-04 -7.63189814e-04 2.78015374e-12] [-7.63189816e-04 7.63189833e-04 3.64922193e-12] [ 7.63189824e-04 7.63189823e-04 4.54101166e-13]] Final stress: [-4.13287422e-05 -4.13287422e-05 1.67506223e-04 5.25259472e-16 7.52982724e-16 1.19679373e-16] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.44364482e-04 -1.18286457e-14 2.72260513e-14] [ 5.44364481e-04 4.73510120e-14 2.02060590e-14] [-1.67075555e-14 -5.44364482e-04 2.74676115e-14] [-3.77475828e-14 5.44364482e-04 2.87825319e-14] [ 2.56556928e-14 2.29764124e-14 5.73783390e-05] [ 2.63400413e-14 1.48769885e-14 -5.73783395e-05] [-5.44364482e-04 5.84831662e-14 -4.89145728e-14] [ 5.44364482e-04 -5.52878056e-14 -4.76753813e-14] [-4.25076641e-14 -5.44364481e-04 -3.56524934e-14] [ 3.13989286e-14 5.44364482e-04 -4.24416911e-14] [-3.09179765e-14 1.37950498e-14 5.73783395e-05] [-3.39147113e-14 2.03351208e-14 -5.73783395e-05] [-5.56437621e-05 -5.56437620e-05 -3.54555802e-04] [ 5.56437623e-05 5.56437621e-05 -3.54555802e-04] [ 5.56437623e-05 -5.56437622e-05 3.54555802e-04] [-5.56437624e-05 5.56437623e-05 3.54555802e-04] [-5.56437622e-05 -5.56437621e-05 3.54555802e-04] [ 5.56437624e-05 5.56437623e-05 3.54555803e-04] [-5.56437622e-05 5.56437621e-05 -3.54555802e-04] [ 5.56437621e-05 -5.56437621e-05 -3.54555802e-04] [-5.56437622e-05 -5.56437624e-05 -3.54555803e-04] [ 5.56437621e-05 5.56437622e-05 -3.54555802e-04] [ 5.56437621e-05 -5.56437621e-05 3.54555802e-04] [-5.56437620e-05 5.56437621e-05 3.54555802e-04] [-5.56437621e-05 -5.56437622e-05 3.54555802e-04] [ 5.56437619e-05 5.56437621e-05 3.54555802e-04] [-5.56437622e-05 5.56437622e-05 -3.54555803e-04] [ 5.56437623e-05 -5.56437622e-05 -3.54555803e-04] [ 1.89764870e-13 3.46195295e-13 6.13176177e-13] [-9.54444856e-15 -4.12398240e-13 -3.28764977e-13] [-5.91526828e-13 1.74336781e-04 -6.58610978e-04] [-1.41081591e-13 -1.74336781e-04 -6.58610978e-04] [-5.90055782e-13 1.74336781e-04 6.58610979e-04] [-9.76250331e-14 -1.74336781e-04 6.58610978e-04] [ 1.74336781e-04 2.16160423e-13 -6.58610979e-04] [ 1.74336781e-04 1.47493129e-13 6.58610979e-04] [-1.74336782e-04 -2.81399903e-13 -6.58610979e-04] [-1.74336781e-04 -2.94689620e-13 6.58610979e-04] [ 5.76617820e-05 5.76617828e-05 6.72795153e-14] [-5.76617825e-05 5.76617821e-05 1.15959325e-13] [ 5.76617820e-05 -5.76617828e-05 1.88703220e-13] [-5.76617825e-05 -5.76617820e-05 1.33882488e-13] [ 3.36718067e-13 1.74336781e-04 -6.58610979e-04] [ 1.80386088e-13 -1.74336781e-04 -6.58610979e-04] [ 3.28514993e-13 1.74336781e-04 6.58610979e-04] [ 2.52480328e-13 -1.74336781e-04 6.58610979e-04] [ 1.74336781e-04 -1.30891644e-14 -6.58610979e-04] [ 1.74336781e-04 -9.70230840e-15 6.58610979e-04] [-1.74336781e-04 4.55733541e-14 -6.58610978e-04] [-1.74336781e-04 6.60465606e-14 6.58610978e-04] [ 5.76617828e-05 5.76617820e-05 1.79332464e-13] [-5.76617827e-05 5.76617823e-05 1.86602998e-13] [ 5.76617832e-05 -5.76617816e-05 2.31367422e-13] [-5.76617821e-05 -5.76617828e-05 1.65818748e-13]] Final stress: [-3.04580014e-05 -3.04580014e-05 -7.47183800e-05 1.99541727e-17 -9.97708634e-18 -2.66055636e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.24237720e-03 5.42159199e-13 -1.16871790e-13] [-7.24237721e-03 9.06774655e-14 -1.87794225e-13] [-1.17644609e-14 1.88776568e-03 -1.00184618e-14] [-1.39166456e-13 -1.88776567e-03 -3.89133170e-13] [ 2.86084958e-13 2.87121889e-13 7.24237720e-03] [ 6.31661390e-13 -6.30134833e-13 -7.24237721e-03] [ 7.24237721e-03 2.78191532e-13 -8.93845754e-14] [-7.24237720e-03 1.51147324e-13 -9.50168728e-14] [ 3.58567342e-15 1.88776568e-03 5.39564439e-13] [ 5.86819222e-13 -1.88776567e-03 4.39046039e-13] [-6.43872108e-13 8.80189826e-13 7.24237721e-03] [ 5.25947341e-13 1.16572325e-12 -7.24237720e-03] [ 5.59961228e-04 3.12291697e-03 5.59961230e-04] [-5.59961229e-04 -3.12291697e-03 5.59961228e-04] [-5.59961228e-04 3.12291697e-03 -5.59961228e-04] [ 5.59961229e-04 -3.12291697e-03 -5.59961229e-04] [ 5.59961229e-04 3.12291697e-03 -5.59961229e-04] [-5.59961228e-04 -3.12291697e-03 -5.59961227e-04] [ 5.59961229e-04 -3.12291697e-03 5.59961228e-04] [-5.59961228e-04 3.12291697e-03 5.59961228e-04] [ 5.59961229e-04 3.12291697e-03 5.59961228e-04] [-5.59961228e-04 -3.12291697e-03 5.59961230e-04] [-5.59961230e-04 3.12291697e-03 -5.59961229e-04] [ 5.59961228e-04 -3.12291697e-03 -5.59961227e-04] [ 5.59961229e-04 3.12291697e-03 -5.59961228e-04] [-5.59961229e-04 -3.12291697e-03 -5.59961228e-04] [ 5.59961227e-04 -3.12291697e-03 5.59961228e-04] [-5.59961229e-04 3.12291697e-03 5.59961230e-04] [ 3.90665278e-12 -5.66466318e-12 1.70671810e-12] [-3.59117684e-12 -1.00724980e-12 -1.57361346e-12] [-5.50881563e-12 5.32335787e-03 -3.74235542e-03] [-2.60732581e-12 -5.32335787e-03 -3.74235541e-03] [-1.40540010e-12 5.32335788e-03 3.74235542e-03] [-5.83033621e-13 -5.32335788e-03 3.74235542e-03] [-9.13226377e-04 -1.70496950e-12 -9.13226359e-04] [-9.13226378e-04 -9.06535264e-13 9.13226357e-04] [ 9.13226375e-04 -3.85056743e-12 -9.13226362e-04] [ 9.13226374e-04 -3.30333330e-12 9.13226360e-04] [-3.74235540e-03 5.32335786e-03 1.63458136e-12] [ 3.74235539e-03 5.32335784e-03 -1.12925468e-12] [-3.74235540e-03 -5.32335786e-03 1.32799327e-12] [ 3.74235540e-03 -5.32335786e-03 -1.57113211e-12] [ 2.08485269e-12 5.32335786e-03 -3.74235540e-03] [ 5.17370261e-12 -5.32335785e-03 -3.74235539e-03] [ 1.79812588e-12 5.32335786e-03 3.74235541e-03] [ 4.84289171e-12 -5.32335785e-03 3.74235539e-03] [-9.13226351e-04 2.42405224e-12 -9.13226383e-04] [-9.13226354e-04 1.50303728e-12 9.13226381e-04] [ 9.13226355e-04 -1.39158216e-12 -9.13226379e-04] [ 9.13226364e-04 -6.57110651e-13 9.13226370e-04] [-3.74235542e-03 5.32335787e-03 -2.52680934e-12] [ 3.74235542e-03 5.32335787e-03 -1.54525631e-12] [-3.74235542e-03 -5.32335787e-03 -5.55540931e-13] [ 3.74235542e-03 -5.32335788e-03 9.23364683e-13]] Final stress: [-6.09552844e-05 1.92536690e-04 -6.09552844e-05 8.07835770e-16 -8.44404467e-16 2.77589658e-16] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.91160802e-04 -3.31089323e-14 2.60963126e-14] [ 4.91160802e-04 5.05151476e-14 -2.53685961e-14] [ 4.85930740e-14 1.55121778e-04 5.24519664e-14] [-2.47857290e-14 -1.55121778e-04 4.67403893e-14] [-9.24477508e-15 -6.87861226e-14 -4.91160802e-04] [ 2.73669976e-14 -2.75057754e-14 4.91160802e-04] [-4.91160802e-04 9.35957041e-14 -5.29585109e-14] [ 4.91160802e-04 -3.38448887e-14 -2.33457622e-14] [-3.68433582e-14 1.55121779e-04 1.85347714e-14] [ 2.78709347e-14 -1.55121779e-04 -1.99775227e-14] [-6.10050205e-14 9.31169319e-16 -4.91160802e-04] [-8.87792444e-14 9.38755763e-15 4.91160802e-04] [-6.47897090e-05 -3.60621455e-04 -6.47897091e-05] [ 6.47897091e-05 3.60621455e-04 -6.47897090e-05] [ 6.47897090e-05 -3.60621455e-04 6.47897090e-05] [-6.47897090e-05 3.60621455e-04 6.47897091e-05] [-6.47897090e-05 -3.60621455e-04 6.47897091e-05] [ 6.47897090e-05 3.60621455e-04 6.47897090e-05] [-6.47897090e-05 3.60621455e-04 -6.47897091e-05] [ 6.47897090e-05 -3.60621455e-04 -6.47897090e-05] [-6.47897091e-05 -3.60621455e-04 -6.47897091e-05] [ 6.47897089e-05 3.60621455e-04 -6.47897091e-05] [ 6.47897090e-05 -3.60621455e-04 6.47897089e-05] [-6.47897091e-05 3.60621455e-04 6.47897090e-05] [-6.47897089e-05 -3.60621455e-04 6.47897090e-05] [ 6.47897089e-05 3.60621455e-04 6.47897089e-05] [-6.47897091e-05 3.60621455e-04 -6.47897091e-05] [ 6.47897090e-05 -3.60621455e-04 -6.47897091e-05] [ 1.61592961e-13 4.55191440e-15 2.10415019e-13] [ 2.25254711e-13 -3.61486749e-14 1.59495990e-13] [-3.55937502e-13 -6.73432680e-04 2.04930977e-04] [ 4.57862914e-14 6.73432680e-04 2.04930976e-04] [-5.86683480e-13 -6.73432680e-04 -2.04930977e-04] [-2.59670757e-14 6.73432680e-04 -2.04930976e-04] [ 5.97149063e-05 2.64011035e-13 5.97149060e-05] [ 5.97149058e-05 3.28379685e-13 -5.97149063e-05] [-5.97149074e-05 -1.75116865e-13 5.97149046e-05] [-5.97149069e-05 -1.66039058e-13 -5.97149050e-05] [ 2.04930975e-04 -6.73432679e-04 -2.20934382e-14] [-2.04930975e-04 -6.73432679e-04 7.55055740e-14] [ 2.04930976e-04 6.73432679e-04 3.43197692e-14] [-2.04930976e-04 6.73432679e-04 1.39992185e-13] [ 3.53201409e-13 -6.73432679e-04 2.04930976e-04] [ 8.23065574e-14 6.73432679e-04 2.04930975e-04] [ 3.96919910e-13 -6.73432679e-04 -2.04930976e-04] [ 1.61396504e-13 6.73432678e-04 -2.04930975e-04] [ 5.97149059e-05 -1.69179641e-13 5.97149064e-05] [ 5.97149054e-05 -6.90469817e-14 -5.97149068e-05] [-5.97149058e-05 9.37123643e-14 5.97149065e-05] [-5.97149055e-05 6.26083387e-14 -5.97149066e-05] [ 2.04930977e-04 -6.73432680e-04 5.81661499e-14] [-2.04930976e-04 -6.73432679e-04 -7.07091246e-15] [ 2.04930977e-04 6.73432681e-04 5.69336516e-14] [-2.04930976e-04 6.73432679e-04 -1.47429811e-14]] Final stress: [-3.05733567e-05 -7.49861950e-05 -3.05733567e-05 -1.99541727e-17 2.49427158e-17 3.82454976e-17] Minimization converged after 35 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.52754325e-04 -2.76480228e-14 1.55509286e-14] [ 7.52754326e-04 -4.07729406e-14 -1.84574578e-14] [ 5.54998755e-14 -1.30085167e-04 -5.74991918e-05] [ 5.50670620e-14 1.30085167e-04 5.74991917e-05] [-8.27202890e-15 -5.74991918e-05 -1.30085167e-04] [-7.54951657e-15 5.74991917e-05 1.30085166e-04] [-7.52754326e-04 2.59254423e-14 3.02579010e-15] [ 7.52754325e-04 7.20430660e-15 3.72274427e-15] [ 1.43231781e-14 -1.30085166e-04 -5.74991917e-05] [ 2.34231037e-15 1.30085167e-04 5.74991918e-05] [-2.44361822e-14 -5.74991917e-05 -1.30085167e-04] [ 3.35612614e-14 5.74991918e-05 1.30085167e-04] [ 6.14723345e-04 -2.02740557e-04 -2.02740557e-04] [ 2.79934213e-04 2.38024444e-04 -2.38024444e-04] [ 2.79934213e-04 -2.38024444e-04 2.38024444e-04] [ 6.14723345e-04 2.02740557e-04 2.02740557e-04] [-2.79934213e-04 -2.38024444e-04 2.38024444e-04] [-6.14723345e-04 2.02740557e-04 2.02740557e-04] [-2.79934213e-04 2.38024444e-04 -2.38024444e-04] [-6.14723345e-04 -2.02740557e-04 -2.02740557e-04] [ 6.14723344e-04 -2.02740557e-04 -2.02740557e-04] [ 2.79934213e-04 2.38024444e-04 -2.38024444e-04] [ 2.79934213e-04 -2.38024444e-04 2.38024444e-04] [ 6.14723345e-04 2.02740557e-04 2.02740557e-04] [-2.79934213e-04 -2.38024444e-04 2.38024444e-04] [-6.14723345e-04 2.02740557e-04 2.02740557e-04] [-2.79934213e-04 2.38024444e-04 -2.38024444e-04] [-6.14723345e-04 -2.02740557e-04 -2.02740557e-04] [-2.78110868e-14 5.66213743e-15 -5.43176615e-14] [-1.84639630e-14 -2.98880735e-13 5.18411290e-14] [-9.18154441e-14 1.67524489e-04 1.67524488e-04] [-7.21887827e-14 8.86691409e-04 -8.86691410e-04] [ 1.77670378e-13 -8.86691409e-04 8.86691410e-04] [ 1.24334570e-13 -1.67524488e-04 -1.67524488e-04] [-5.97319480e-05 3.07754186e-04 2.92867078e-05] [-5.97319478e-05 -3.07754186e-04 -2.92867077e-05] [ 5.97319478e-05 3.07754186e-04 2.92867075e-05] [ 5.97319477e-05 -3.07754186e-04 -2.92867076e-05] [-5.97319476e-05 2.92867075e-05 3.07754186e-04] [ 5.97319477e-05 2.92867076e-05 3.07754186e-04] [-5.97319476e-05 -2.92867075e-05 -3.07754186e-04] [ 5.97319476e-05 -2.92867076e-05 -3.07754186e-04] [-2.59172024e-14 1.67524488e-04 1.67524488e-04] [ 3.41454295e-14 8.86691409e-04 -8.86691409e-04] [ 1.01605356e-13 -8.86691409e-04 8.86691409e-04] [ 3.91882707e-14 -1.67524488e-04 -1.67524488e-04] [-5.97319476e-05 3.07754186e-04 2.92867075e-05] [-5.97319474e-05 -3.07754186e-04 -2.92867072e-05] [ 5.97319472e-05 3.07754186e-04 2.92867071e-05] [ 5.97319475e-05 -3.07754186e-04 -2.92867075e-05] [-5.97319479e-05 2.92867078e-05 3.07754186e-04] [ 5.97319481e-05 2.92867079e-05 3.07754186e-04] [-5.97319480e-05 -2.92867078e-05 -3.07754186e-04] [ 5.97319481e-05 -2.92867079e-05 -3.07754186e-04]] Final stress: [ 1.41236264e-05 -3.84014320e-05 -3.84014320e-05 4.34384583e-05 2.82657157e-17 5.48687422e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.74350122e-04 5.63091240e-15 1.48440288e-14] [ 6.74350122e-04 -2.75057754e-14 2.87270208e-14] [-4.69238363e-14 -1.14712151e-04 7.44426504e-05] [ 9.99200722e-15 1.14712151e-04 -7.44426504e-05] [ 2.40272212e-14 7.44426504e-05 -1.14712151e-04] [-3.23352456e-14 -7.44426504e-05 1.14712151e-04] [-6.74350122e-04 1.64668626e-15 2.50677516e-14] [ 6.74350122e-04 -8.94249952e-15 3.69443166e-15] [ 1.42082526e-14 -1.14712151e-04 7.44426504e-05] [ 7.72819309e-15 1.14712151e-04 -7.44426504e-05] [-8.06342840e-15 7.44426505e-05 -1.14712151e-04] [ 1.97107955e-14 -7.44426504e-05 1.14712151e-04] [-2.29822769e-04 -2.21562580e-04 -2.21562580e-04] [-5.42725734e-04 1.73530403e-04 -1.73530403e-04] [-5.42725734e-04 -1.73530403e-04 1.73530403e-04] [-2.29822769e-04 2.21562580e-04 2.21562580e-04] [ 5.42725734e-04 -1.73530403e-04 1.73530403e-04] [ 2.29822769e-04 2.21562580e-04 2.21562580e-04] [ 5.42725734e-04 1.73530403e-04 -1.73530403e-04] [ 2.29822769e-04 -2.21562580e-04 -2.21562580e-04] [-2.29822769e-04 -2.21562580e-04 -2.21562580e-04] [-5.42725734e-04 1.73530403e-04 -1.73530403e-04] [-5.42725734e-04 -1.73530403e-04 1.73530403e-04] [-2.29822769e-04 2.21562580e-04 2.21562580e-04] [ 5.42725734e-04 -1.73530403e-04 1.73530403e-04] [ 2.29822769e-04 2.21562580e-04 2.21562580e-04] [ 5.42725734e-04 1.73530403e-04 -1.73530403e-04] [ 2.29822769e-04 -2.21562580e-04 -2.21562580e-04] [ 2.76445533e-14 -6.68909372e-15 5.79536419e-14] [-2.00359694e-13 -7.47199258e-14 4.49157479e-14] [-3.78586051e-14 -7.94907315e-04 -7.94907315e-04] [-1.01363362e-13 -1.44411277e-04 1.44411276e-04] [ 6.88234192e-14 1.44411276e-04 -1.44411276e-04] [-1.88477706e-14 7.94907315e-04 7.94907315e-04] [-5.89590650e-05 -2.59731026e-04 3.98230854e-05] [-5.89590654e-05 2.59731026e-04 -3.98230859e-05] [ 5.89590649e-05 -2.59731026e-04 3.98230854e-05] [ 5.89590655e-05 2.59731026e-04 -3.98230859e-05] [-5.89590658e-05 3.98230861e-05 -2.59731026e-04] [ 5.89590656e-05 3.98230860e-05 -2.59731026e-04] [-5.89590654e-05 -3.98230859e-05 2.59731026e-04] [ 5.89590655e-05 -3.98230860e-05 2.59731026e-04] [-2.85787019e-14 -7.94907314e-04 -7.94907315e-04] [ 7.67164110e-14 -1.44411276e-04 1.44411276e-04] [-5.26965624e-15 1.44411277e-04 -1.44411276e-04] [ 4.61922167e-14 7.94907314e-04 7.94907315e-04] [-5.89590655e-05 -2.59731026e-04 3.98230859e-05] [-5.89590654e-05 2.59731026e-04 -3.98230858e-05] [ 5.89590655e-05 -2.59731026e-04 3.98230859e-05] [ 5.89590655e-05 2.59731026e-04 -3.98230859e-05] [-5.89590654e-05 3.98230859e-05 -2.59731026e-04] [ 5.89590655e-05 3.98230859e-05 -2.59731026e-04] [-5.89590653e-05 -3.98230858e-05 2.59731026e-04] [ 5.89590653e-05 -3.98230858e-05 2.59731026e-04]] Final stress: [ 1.14554498e-05 -3.78841655e-05 -3.78841655e-05 -4.33107111e-05 3.32537831e-18 3.32537831e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.25931598e-03 1.04272060e-13 -5.28143404e-06] [-1.25931598e-03 -1.67921232e-14 5.28143408e-06] [-4.01484401e-14 1.70038934e-04 -4.09884800e-14] [ 4.32986980e-14 -1.70038934e-04 -2.60069744e-14] [-1.27900477e-06 -4.83649579e-14 1.74798319e-04] [ 1.27900480e-06 -7.07212067e-14 -1.74798319e-04] [ 1.25931598e-03 -4.46465781e-14 -5.28143398e-06] [-1.25931598e-03 3.81682533e-14 5.28143401e-06] [-5.24935997e-14 1.70038934e-04 -3.22709580e-14] [ 2.62966732e-14 -1.70038934e-04 -8.99200274e-14] [-1.27900486e-06 -5.41356722e-14 1.74798319e-04] [ 1.27900487e-06 7.99018255e-14 -1.74798319e-04] [-2.48260736e-04 1.17862868e-03 3.51374432e-04] [ 2.00246081e-04 4.31795097e-04 3.99772643e-04] [ 2.48260736e-04 1.17862868e-03 -3.51374432e-04] [-2.00246081e-04 4.31795097e-04 -3.99772644e-04] [-2.00246081e-04 -4.31795097e-04 -3.99772643e-04] [ 2.48260736e-04 -1.17862868e-03 -3.51374432e-04] [-2.48260736e-04 -1.17862868e-03 3.51374432e-04] [ 2.00246081e-04 -4.31795097e-04 3.99772644e-04] [-2.48260736e-04 1.17862868e-03 3.51374432e-04] [ 2.00246081e-04 4.31795097e-04 3.99772644e-04] [ 2.48260736e-04 1.17862868e-03 -3.51374432e-04] [-2.00246081e-04 4.31795097e-04 -3.99772644e-04] [-2.00246081e-04 -4.31795097e-04 -3.99772644e-04] [ 2.48260736e-04 -1.17862868e-03 -3.51374432e-04] [-2.48260736e-04 -1.17862868e-03 3.51374432e-04] [ 2.00246081e-04 -4.31795097e-04 3.99772644e-04] [ 2.77111667e-13 -3.64874797e-13 4.30711022e-13] [-1.29050416e-14 -6.25958398e-14 5.16947849e-14] [ 6.67939007e-04 6.04497977e-04 6.04919933e-04] [ 6.67939007e-04 -6.04497977e-04 6.04919933e-04] [-6.67939007e-04 6.04497976e-04 -6.04919934e-04] [-6.67939007e-04 -6.04497976e-04 -6.04919934e-04] [ 1.03837469e-03 -3.24407168e-13 9.15029706e-04] [-7.50758225e-04 -9.31789368e-14 8.76569124e-04] [ 7.50758225e-04 -3.36949219e-13 -8.76569125e-04] [-1.03837469e-03 5.95322402e-14 -9.15029706e-04] [ 1.43436102e-04 1.84446010e-05 6.68212716e-04] [-1.43436102e-04 1.84446006e-05 -6.68212716e-04] [ 1.43436103e-04 -1.84446004e-05 6.68212716e-04] [-1.43436102e-04 -1.84446009e-05 -6.68212716e-04] [ 6.67939007e-04 6.04497977e-04 6.04919933e-04] [ 6.67939007e-04 -6.04497978e-04 6.04919933e-04] [-6.67939007e-04 6.04497978e-04 -6.04919933e-04] [-6.67939007e-04 -6.04497977e-04 -6.04919933e-04] [ 1.03837469e-03 -4.70384125e-14 9.15029707e-04] [-7.50758226e-04 -2.00750874e-15 8.76569124e-04] [ 7.50758226e-04 -3.00909905e-13 -8.76569124e-04] [-1.03837469e-03 -2.62521775e-13 -9.15029706e-04] [ 1.43436103e-04 1.84446001e-05 6.68212716e-04] [-1.43436103e-04 1.84446000e-05 -6.68212716e-04] [ 1.43436103e-04 -1.84445997e-05 6.68212716e-04] [-1.43436103e-04 -1.84445998e-05 -6.68212716e-04]] Final stress: [-3.26327422e-05 4.11956934e-05 4.12355711e-05 -6.15077660e-17 4.36830904e-05 -1.52938229e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.34056208e-03 9.42887261e-14 -2.48144277e-05] [-1.34056208e-03 1.11577414e-14 2.48144278e-05] [-7.12190723e-15 1.97200208e-04 4.91460171e-14] [ 1.41553436e-15 -1.97200208e-04 6.90836277e-14] [-2.89149103e-05 -4.58938443e-14 2.02433411e-04] [ 2.89149104e-05 -6.61692923e-14 -2.02433411e-04] [ 1.34056208e-03 3.31345194e-14 -2.48144277e-05] [-1.34056208e-03 4.97770228e-14 2.48144277e-05] [-4.83888103e-14 1.97200208e-04 -4.81172693e-14] [-3.97694030e-14 -1.97200208e-04 5.83266814e-14] [-2.89149104e-05 2.23854688e-14 2.02433410e-04] [ 2.89149105e-05 -5.59641392e-14 -2.02433411e-04] [-2.03276082e-04 -4.81337038e-04 4.30130021e-04] [ 2.66964030e-04 -1.27256732e-03 3.65863200e-04] [ 2.03276082e-04 -4.81337038e-04 -4.30130021e-04] [-2.66964030e-04 -1.27256732e-03 -3.65863200e-04] [-2.66964030e-04 1.27256732e-03 -3.65863200e-04] [ 2.03276081e-04 4.81337038e-04 -4.30130021e-04] [-2.03276082e-04 4.81337038e-04 4.30130021e-04] [ 2.66964030e-04 1.27256732e-03 3.65863200e-04] [-2.03276082e-04 -4.81337038e-04 4.30130021e-04] [ 2.66964030e-04 -1.27256732e-03 3.65863200e-04] [ 2.03276082e-04 -4.81337038e-04 -4.30130021e-04] [-2.66964030e-04 -1.27256732e-03 -3.65863200e-04] [-2.66964030e-04 1.27256732e-03 -3.65863200e-04] [ 2.03276082e-04 4.81337038e-04 -4.30130021e-04] [-2.03276082e-04 4.81337038e-04 4.30130021e-04] [ 2.66964030e-04 1.27256732e-03 3.65863199e-04] [-1.87710958e-13 3.47555318e-13 -4.52415883e-15] [-2.14593968e-14 -1.01834775e-13 4.69849751e-13] [-7.13323153e-04 6.44179139e-04 6.44730382e-04] [-7.13323153e-04 -6.44179140e-04 6.44730381e-04] [ 7.13323152e-04 6.44179139e-04 -6.44730382e-04] [ 7.13323152e-04 -6.44179139e-04 -6.44730381e-04] [-8.79978368e-04 -2.98538971e-13 -8.63582299e-04] [ 1.03183541e-03 -3.49551985e-13 -1.05111344e-03] [-1.03183541e-03 -2.45121631e-13 1.05111344e-03] [ 8.79978368e-04 -4.30945210e-13 8.63582298e-04] [ 7.55245061e-05 9.28207112e-05 -7.13317089e-04] [-7.55245069e-05 9.28207100e-05 7.13317089e-04] [ 7.55245062e-05 -9.28207110e-05 -7.13317088e-04] [-7.55245067e-05 -9.28207104e-05 7.13317089e-04] [-7.13323152e-04 6.44179139e-04 6.44730381e-04] [-7.13323152e-04 -6.44179139e-04 6.44730381e-04] [ 7.13323152e-04 6.44179140e-04 -6.44730381e-04] [ 7.13323153e-04 -6.44179140e-04 -6.44730381e-04] [-8.79978368e-04 3.45930701e-13 -8.63582299e-04] [ 1.03183541e-03 3.88479830e-13 -1.05111344e-03] [-1.03183541e-03 1.14884231e-13 1.05111344e-03] [ 8.79978369e-04 3.03439999e-13 8.63582297e-04] [ 7.55245061e-05 9.28207108e-05 -7.13317089e-04] [-7.55245063e-05 9.28207107e-05 7.13317089e-04] [ 7.55245073e-05 -9.28207098e-05 -7.13317089e-04] [-7.55245073e-05 -9.28207097e-05 7.13317089e-04]] Final stress: [-3.51630035e-05 4.16548724e-05 4.17001089e-05 -3.98969293e-17 -4.39346141e-05 6.15077660e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.56358197e-02 4.57561072e-13 -1.07891868e-02] [ 3.56358197e-02 7.75435272e-13 1.07891868e-02] [-1.73487526e-13 -1.22522735e-02 1.29790753e-12] [ 1.12301834e-12 1.22522735e-02 1.88682403e-13] [-8.78960231e-03 3.79734438e-13 -9.55384579e-03] [ 8.78960231e-03 1.50240931e-12 9.55384579e-03] [-3.56358197e-02 7.97945043e-13 -1.07891868e-02] [ 3.56358197e-02 5.58901883e-14 1.07891868e-02] [-5.20616536e-13 -1.22522735e-02 2.28019599e-12] [ 8.75113784e-13 1.22522735e-02 -2.41456714e-12] [-8.78960231e-03 2.66857665e-12 -9.55384580e-03] [ 8.78960231e-03 -1.88821828e-12 9.55384579e-03] [ 1.84907865e-02 1.13097534e-02 -5.22206330e-03] [-9.71272299e-03 3.99318996e-02 -2.13202538e-02] [-1.84907865e-02 1.13097534e-02 5.22206330e-03] [ 9.71272300e-03 3.99318996e-02 2.13202538e-02] [ 9.71272299e-03 -3.99318996e-02 2.13202538e-02] [-1.84907865e-02 -1.13097534e-02 5.22206330e-03] [ 1.84907865e-02 -1.13097534e-02 -5.22206331e-03] [-9.71272300e-03 -3.99318996e-02 -2.13202538e-02] [ 1.84907865e-02 1.13097534e-02 -5.22206330e-03] [-9.71272300e-03 3.99318996e-02 -2.13202538e-02] [-1.84907865e-02 1.13097534e-02 5.22206330e-03] [ 9.71272299e-03 3.99318996e-02 2.13202538e-02] [ 9.71272300e-03 -3.99318996e-02 2.13202538e-02] [-1.84907865e-02 -1.13097534e-02 5.22206331e-03] [ 1.84907865e-02 -1.13097534e-02 -5.22206330e-03] [-9.71272300e-03 -3.99318996e-02 -2.13202538e-02] [-2.61973776e-12 -2.63361555e-12 6.44595488e-13] [ 3.55952377e-12 -2.26544310e-12 6.97463760e-12] [ 6.02342164e-03 -8.30380414e-03 -6.46152396e-03] [ 6.02342165e-03 8.30380416e-03 -6.46152394e-03] [-6.02342164e-03 -8.30380415e-03 6.46152396e-03] [-6.02342164e-03 8.30380418e-03 6.46152393e-03] [ 4.11335472e-02 -2.64899214e-13 6.10428622e-02] [-4.64694688e-02 9.05167434e-12 2.98309835e-02] [ 4.64694689e-02 1.37748320e-12 -2.98309834e-02] [-4.11335472e-02 2.82352614e-12 -6.10428622e-02] [-1.59059739e-04 1.55323551e-02 1.30484833e-02] [ 1.59059736e-04 1.55323551e-02 -1.30484833e-02] [-1.59059748e-04 -1.55323551e-02 1.30484833e-02] [ 1.59059743e-04 -1.55323551e-02 -1.30484833e-02] [ 6.02342165e-03 -8.30380417e-03 -6.46152394e-03] [ 6.02342165e-03 8.30380417e-03 -6.46152394e-03] [-6.02342165e-03 -8.30380417e-03 6.46152394e-03] [-6.02342165e-03 8.30380418e-03 6.46152392e-03] [ 4.11335472e-02 -3.19685668e-13 6.10428622e-02] [-4.64694688e-02 -3.62934650e-12 2.98309835e-02] [ 4.64694688e-02 -4.86441573e-12 -2.98309835e-02] [-4.11335473e-02 5.92700802e-12 -6.10428622e-02] [-1.59059749e-04 1.55323551e-02 1.30484833e-02] [ 1.59059743e-04 1.55323551e-02 -1.30484833e-02] [-1.59059764e-04 -1.55323551e-02 1.30484833e-02] [ 1.59059765e-04 -1.55323551e-02 -1.30484833e-02]] Final stress: [ 9.32549470e-04 -4.71883028e-04 -4.77414382e-04 9.26949205e-15 -5.09413889e-05 -4.49424879e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.55855934e-02 -5.01840540e-13 1.08102590e-02] [ 3.55855934e-02 2.68340905e-13 -1.08102590e-02] [ 2.75022366e-12 -1.22032963e-02 -2.11326486e-12] [ 4.97463182e-13 1.22032963e-02 -1.40049083e-12] [ 8.82046465e-03 -1.90120922e-13 -9.51589096e-03] [-8.82046465e-03 1.47015733e-12 9.51589095e-03] [-3.55855934e-02 -1.29370950e-12 1.08102590e-02] [ 3.55855934e-02 -3.43675175e-13 -1.08102590e-02] [ 3.29897134e-13 -1.22032963e-02 5.47446124e-13] [ 1.82841546e-12 1.22032963e-02 4.27859970e-13] [ 8.82046465e-03 4.13580676e-12 -9.51589095e-03] [-8.82046465e-03 7.98797375e-14 9.51589095e-03] [ 9.68689727e-03 -3.98327946e-02 -2.12810452e-02] [-1.84503852e-02 -1.12609434e-02 -5.22047948e-03] [-9.68689727e-03 -3.98327946e-02 2.12810452e-02] [ 1.84503852e-02 -1.12609434e-02 5.22047948e-03] [ 1.84503852e-02 1.12609434e-02 5.22047948e-03] [-9.68689727e-03 3.98327946e-02 2.12810452e-02] [ 9.68689728e-03 3.98327946e-02 -2.12810452e-02] [-1.84503852e-02 1.12609434e-02 -5.22047948e-03] [ 9.68689727e-03 -3.98327946e-02 -2.12810452e-02] [-1.84503852e-02 -1.12609434e-02 -5.22047948e-03] [-9.68689728e-03 -3.98327946e-02 2.12810452e-02] [ 1.84503852e-02 -1.12609434e-02 5.22047948e-03] [ 1.84503852e-02 1.12609434e-02 5.22047948e-03] [-9.68689728e-03 3.98327946e-02 2.12810452e-02] [ 9.68689727e-03 3.98327946e-02 -2.12810452e-02] [-1.84503852e-02 1.12609434e-02 -5.22047948e-03] [ 2.42567078e-12 -5.03430631e-12 1.05444542e-11] [ 4.49260247e-12 4.43954934e-13 -1.47402901e-13] [-6.04711929e-03 -8.31832445e-03 -6.48317224e-03] [-6.04711929e-03 8.31832445e-03 -6.48317224e-03] [ 6.04711930e-03 -8.31832446e-03 6.48317223e-03] [ 6.04711930e-03 8.31832446e-03 6.48317223e-03] [-4.64607173e-02 3.28814753e-12 -2.96810433e-02] [ 4.09287966e-02 -4.33949404e-12 -6.09735003e-02] [-4.09287966e-02 2.00276080e-12 6.09735003e-02] [ 4.64607173e-02 -3.66200282e-12 2.96810433e-02] [-2.71293712e-04 1.55692212e-02 -1.30492883e-02] [ 2.71293717e-04 1.55692212e-02 1.30492883e-02] [-2.71293711e-04 -1.55692212e-02 -1.30492883e-02] [ 2.71293705e-04 -1.55692212e-02 1.30492883e-02] [-6.04711929e-03 -8.31832445e-03 -6.48317224e-03] [-6.04711929e-03 8.31832446e-03 -6.48317224e-03] [ 6.04711928e-03 -8.31832443e-03 6.48317226e-03] [ 6.04711928e-03 8.31832443e-03 6.48317226e-03] [-4.64607173e-02 -7.82090414e-12 -2.96810433e-02] [ 4.09287966e-02 -8.89617416e-12 -6.09735003e-02] [-4.09287966e-02 -4.98093320e-13 6.09735003e-02] [ 4.64607173e-02 2.64196651e-13 2.96810433e-02] [-2.71293703e-04 1.55692211e-02 -1.30492883e-02] [ 2.71293694e-04 1.55692211e-02 1.30492883e-02] [-2.71293704e-04 -1.55692212e-02 -1.30492883e-02] [ 2.71293695e-04 -1.55692211e-02 1.30492883e-02]] Final stress: [ 9.32799502e-04 -4.70993346e-04 -4.76410406e-04 2.74011173e-15 5.12957091e-05 -3.80589548e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.33583632e-03 8.53496211e-06 -5.59717203e-14] [-1.33583632e-03 -8.53496198e-06 4.38538095e-14] [ 1.26715543e-05 1.82951736e-04 -3.58307134e-14] [-1.26715541e-05 -1.82951737e-04 3.02535774e-14] [-5.47118774e-14 2.64939980e-14 1.77732714e-04] [-7.93809463e-14 -4.50472992e-14 -1.77732714e-04] [ 1.33583632e-03 8.53496197e-06 -5.00536596e-16] [-1.33583632e-03 -8.53496194e-06 -8.51549878e-15] [ 1.26715543e-05 1.82951737e-04 -2.05714670e-14] [-1.26715543e-05 -1.82951736e-04 -2.93757948e-14] [-3.09123387e-14 3.07639299e-14 1.77732714e-04] [-1.34770667e-14 2.94948388e-14 -1.77732714e-04] [-2.64667911e-04 3.66710965e-04 1.25805846e-03] [ 2.64667911e-04 -3.66710965e-04 1.25805846e-03] [ 2.01445547e-04 4.30548299e-04 4.65539279e-04] [-2.01445547e-04 -4.30548299e-04 4.65539279e-04] [-2.64667911e-04 3.66710965e-04 -1.25805846e-03] [ 2.64667911e-04 -3.66710965e-04 -1.25805846e-03] [-2.01445547e-04 -4.30548299e-04 -4.65539279e-04] [ 2.01445547e-04 4.30548299e-04 -4.65539279e-04] [-2.64667911e-04 3.66710965e-04 1.25805846e-03] [ 2.64667911e-04 -3.66710965e-04 1.25805846e-03] [ 2.01445547e-04 4.30548299e-04 4.65539279e-04] [-2.01445547e-04 -4.30548299e-04 4.65539279e-04] [-2.64667911e-04 3.66710965e-04 -1.25805846e-03] [ 2.64667911e-04 -3.66710965e-04 -1.25805846e-03] [-2.01445547e-04 -4.30548299e-04 -4.65539279e-04] [ 2.01445547e-04 4.30548299e-04 -4.65539279e-04] [ 2.27401431e-13 9.67836922e-14 1.62508895e-13] [-8.38721453e-14 -1.17398310e-13 -2.49820908e-13] [ 7.21967460e-04 6.40698317e-04 6.40190074e-04] [-7.21967460e-04 -6.40698317e-04 6.40190074e-04] [ 7.21967460e-04 6.40698316e-04 -6.40190075e-04] [-7.21967460e-04 -6.40698316e-04 -6.40190074e-04] [ 1.53918628e-04 7.21913461e-04 2.57206742e-05] [ 1.53918628e-04 7.21913461e-04 -2.57206742e-05] [-1.53918628e-04 -7.21913462e-04 2.57206734e-05] [-1.53918628e-04 -7.21913461e-04 -2.57206735e-05] [ 1.10307296e-03 9.76616218e-04 -1.01363362e-13] [ 7.94412652e-04 -9.23356268e-04 -1.04707909e-14] [-7.94412653e-04 9.23356267e-04 -1.31800820e-13] [-1.10307296e-03 -9.76616218e-04 -4.20410234e-14] [ 7.21967460e-04 6.40698317e-04 6.40190074e-04] [-7.21967460e-04 -6.40698316e-04 6.40190074e-04] [ 7.21967460e-04 6.40698317e-04 -6.40190074e-04] [-7.21967460e-04 -6.40698316e-04 -6.40190074e-04] [ 1.53918628e-04 7.21913461e-04 2.57206737e-05] [ 1.53918629e-04 7.21913461e-04 -2.57206734e-05] [-1.53918628e-04 -7.21913461e-04 2.57206742e-05] [-1.53918628e-04 -7.21913461e-04 -2.57206738e-05] [ 1.10307296e-03 9.76616218e-04 5.50608212e-14] [ 7.94412653e-04 -9.23356267e-04 4.19350732e-14] [-7.94412652e-04 9.23356268e-04 3.46977038e-13] [-1.10307296e-03 -9.76616219e-04 4.00583212e-13]] Final stress: [-3.53407596e-05 4.17217148e-05 4.16771024e-05 -1.16366044e-17 -6.15077660e-17 4.37822067e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.54842562e-03 -5.77053970e-05 -2.17981015e-14] [-1.54842562e-03 5.77053970e-05 -5.61217739e-14] [-6.21159575e-05 2.08615514e-04 3.56676494e-14] [ 6.21159575e-05 -2.08615514e-04 -6.91946500e-14] [-5.42083739e-14 -5.47452708e-14 2.02059827e-04] [-2.25930386e-14 3.01425551e-14 -2.02059828e-04] [ 1.54842562e-03 -5.77053970e-05 -7.85338104e-14] [-1.54842562e-03 5.77053971e-05 -5.25458743e-14] [-6.21159574e-05 2.08615514e-04 -7.48852921e-14] [ 6.21159576e-05 -2.08615514e-04 -2.87314058e-15] [-1.44129500e-14 1.61044800e-14 2.02059827e-04] [-5.79180801e-15 -6.10425594e-14 -2.02059827e-04] [-2.02915309e-04 5.17184482e-04 -5.65698199e-04] [ 2.02915309e-04 -5.17184482e-04 -5.65698199e-04] [ 3.12783314e-04 4.06008620e-04 -1.48288471e-03] [-3.12783314e-04 -4.06008620e-04 -1.48288471e-03] [-2.02915310e-04 5.17184482e-04 5.65698199e-04] [ 2.02915310e-04 -5.17184482e-04 5.65698199e-04] [-3.12783314e-04 -4.06008620e-04 1.48288471e-03] [ 3.12783314e-04 4.06008620e-04 1.48288471e-03] [-2.02915310e-04 5.17184482e-04 -5.65698199e-04] [ 2.02915310e-04 -5.17184482e-04 -5.65698199e-04] [ 3.12783314e-04 4.06008620e-04 -1.48288471e-03] [-3.12783314e-04 -4.06008620e-04 -1.48288471e-03] [-2.02915309e-04 5.17184482e-04 5.65698199e-04] [ 2.02915309e-04 -5.17184482e-04 5.65698199e-04] [-3.12783314e-04 -4.06008620e-04 1.48288471e-03] [ 3.12783314e-04 4.06008620e-04 1.48288471e-03] [ 1.07913678e-13 -1.24261712e-13 5.03985742e-13] [-1.23273787e-14 -2.21486649e-13 -4.20237582e-13] [-8.70966651e-04 7.37795566e-04 7.37021217e-04] [ 8.70966651e-04 -7.37795567e-04 7.37021217e-04] [-8.70966651e-04 7.37795566e-04 -7.37021218e-04] [ 8.70966651e-04 -7.37795566e-04 -7.37021218e-04] [ 1.82614829e-04 -8.69811265e-04 4.36449751e-05] [ 1.82614828e-04 -8.69811265e-04 -4.36449754e-05] [-1.82614829e-04 8.69811265e-04 4.36449753e-05] [-1.82614828e-04 8.69811265e-04 -4.36449757e-05] [-9.14018182e-04 -1.05343541e-03 -3.36508599e-13] [-1.28033133e-03 1.14332377e-03 -2.82249918e-13] [ 1.28033133e-03 -1.14332377e-03 1.81712284e-13] [ 9.14018182e-04 1.05343541e-03 -2.80539481e-14] [-8.70966651e-04 7.37795566e-04 7.37021217e-04] [ 8.70966651e-04 -7.37795566e-04 7.37021217e-04] [-8.70966651e-04 7.37795566e-04 -7.37021217e-04] [ 8.70966651e-04 -7.37795567e-04 -7.37021216e-04] [ 1.82614828e-04 -8.69811265e-04 4.36449763e-05] [ 1.82614828e-04 -8.69811265e-04 -4.36449759e-05] [-1.82614828e-04 8.69811264e-04 4.36449759e-05] [-1.82614829e-04 8.69811265e-04 -4.36449757e-05] [-9.14018182e-04 -1.05343542e-03 4.99195694e-13] [-1.28033133e-03 1.14332377e-03 5.78436292e-13] [ 1.28033133e-03 -1.14332377e-03 3.14217632e-13] [ 9.14018181e-04 1.05343542e-03 1.01395455e-13]] Final stress: [-4.27560159e-05 4.30904112e-05 4.30310817e-05 -4.32216734e-17 -8.47809748e-17 -4.41684717e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.15045884e-02 3.73717404e-03 2.30155305e-13] [ 1.15045884e-02 -3.73717404e-03 -1.69309011e-14] [ 4.02636004e-03 8.78676320e-05 1.48416435e-13] [-4.02636004e-03 -8.78676302e-05 7.32580663e-13] [-5.41878174e-13 2.42177372e-13 -1.16631999e-04] [-3.27599059e-13 -5.87641047e-13 1.16631997e-04] [-1.15045884e-02 3.73717404e-03 4.40899873e-14] [ 1.15045884e-02 -3.73717404e-03 1.80272521e-14] [ 4.02636004e-03 8.78676357e-05 -4.56856715e-14] [-4.02636004e-03 -8.78676287e-05 -3.82080906e-13] [ 8.39129113e-15 -1.43721088e-14 -1.16632000e-04] [ 5.54975770e-13 5.11522216e-13 1.16631996e-04] [-5.44939910e-05 -6.06103765e-03 6.55723975e-03] [ 5.44939909e-05 6.06103765e-03 6.55723975e-03] [-4.33357456e-03 -1.88876059e-03 1.47881524e-02] [ 4.33357455e-03 1.88876059e-03 1.47881524e-02] [-5.44939904e-05 -6.06103765e-03 -6.55723975e-03] [ 5.44939909e-05 6.06103765e-03 -6.55723975e-03] [ 4.33357455e-03 1.88876059e-03 -1.47881524e-02] [-4.33357455e-03 -1.88876059e-03 -1.47881524e-02] [-5.44939926e-05 -6.06103765e-03 6.55723975e-03] [ 5.44939913e-05 6.06103765e-03 6.55723975e-03] [-4.33357455e-03 -1.88876059e-03 1.47881524e-02] [ 4.33357455e-03 1.88876060e-03 1.47881524e-02] [-5.44939923e-05 -6.06103765e-03 -6.55723975e-03] [ 5.44939911e-05 6.06103765e-03 -6.55723975e-03] [ 4.33357455e-03 1.88876060e-03 -1.47881524e-02] [-4.33357455e-03 -1.88876059e-03 -1.47881524e-02] [ 4.04354328e-12 -2.91502933e-12 2.70997114e-12] [ 4.86587940e-12 -5.12518219e-12 4.95644627e-12] [ 9.97791366e-03 -4.73461983e-03 -4.81767364e-03] [-9.97791365e-03 4.73461982e-03 -4.81767365e-03] [ 9.97791366e-03 -4.73461984e-03 4.81767364e-03] [-9.97791365e-03 4.73461983e-03 4.81767364e-03] [ 2.18438324e-04 1.04950001e-02 -7.81835740e-04] [ 2.18438320e-04 1.04950001e-02 7.81835737e-04] [-2.18438326e-04 -1.04950001e-02 -7.81835743e-04] [-2.18438320e-04 -1.04950001e-02 7.81835738e-04] [ 8.81639898e-03 8.03848100e-03 1.73372428e-12] [ 8.45988768e-03 -9.48502467e-03 1.92769412e-12] [-8.45988768e-03 9.48502466e-03 2.46806048e-13] [-8.81639898e-03 -8.03848100e-03 -1.49818873e-12] [ 9.97791365e-03 -4.73461982e-03 -4.81767365e-03] [-9.97791365e-03 4.73461982e-03 -4.81767365e-03] [ 9.97791365e-03 -4.73461982e-03 4.81767366e-03] [-9.97791365e-03 4.73461982e-03 4.81767365e-03] [ 2.18438312e-04 1.04950001e-02 -7.81835727e-04] [ 2.18438316e-04 1.04950001e-02 7.81835731e-04] [-2.18438316e-04 -1.04950001e-02 -7.81835732e-04] [-2.18438318e-04 -1.04950001e-02 7.81835733e-04] [ 8.81639898e-03 8.03848099e-03 2.18056694e-12] [ 8.45988768e-03 -9.48502466e-03 1.49950685e-12] [-8.45988767e-03 9.48502467e-03 4.67315295e-12] [-8.81639900e-03 -8.03848098e-03 4.17443684e-12]] Final stress: [ 4.07303946e-04 -1.28707740e-04 -1.31195948e-04 3.32537831e-18 -2.29451104e-16 8.41750411e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.61148774e-02 1.09645681e-02 -1.47435428e-12] [ 3.61148774e-02 -1.09645681e-02 1.63741243e-12] [ 8.86143229e-03 -9.59957252e-03 -1.28215450e-12] [-8.86143228e-03 9.59957253e-03 4.96686026e-13] [ 1.59256462e-12 -2.50867035e-14 -1.24221164e-02] [-4.26578217e-12 -2.67116884e-12 1.24221164e-02] [-3.61148774e-02 1.09645681e-02 4.35962827e-12] [ 3.61148774e-02 -1.09645681e-02 -1.63373909e-12] [ 8.86143228e-03 -9.59957252e-03 3.65738309e-12] [-8.86143228e-03 9.59957253e-03 -1.93912378e-13] [-3.06333518e-13 -1.51755809e-12 -1.24221164e-02] [ 7.08530023e-13 1.77554315e-12 1.24221164e-02] [ 9.95042896e-03 -2.18619237e-02 -4.08000831e-02] [-9.95042897e-03 2.18619237e-02 -4.08000831e-02] [-1.88954125e-02 -5.25420482e-03 -1.15097389e-02] [ 1.88954125e-02 5.25420483e-03 -1.15097389e-02] [ 9.95042896e-03 -2.18619237e-02 4.08000831e-02] [-9.95042897e-03 2.18619237e-02 4.08000831e-02] [ 1.88954125e-02 5.25420482e-03 1.15097389e-02] [-1.88954125e-02 -5.25420482e-03 1.15097389e-02] [ 9.95042897e-03 -2.18619237e-02 -4.08000831e-02] [-9.95042897e-03 2.18619237e-02 -4.08000831e-02] [-1.88954125e-02 -5.25420482e-03 -1.15097389e-02] [ 1.88954125e-02 5.25420483e-03 -1.15097389e-02] [ 9.95042896e-03 -2.18619237e-02 4.08000831e-02] [-9.95042897e-03 2.18619237e-02 4.08000831e-02] [ 1.88954125e-02 5.25420483e-03 1.15097389e-02] [-1.88954125e-02 -5.25420483e-03 1.15097389e-02] [-3.57483487e-12 -1.14061816e-11 1.34614542e-13] [ 4.82570841e-12 -7.04048135e-12 4.97084102e-12] [-6.00513323e-03 -6.24469914e-03 -8.17201957e-03] [ 6.00513322e-03 6.24469915e-03 -8.17201956e-03] [-6.00513322e-03 -6.24469914e-03 8.17201957e-03] [ 6.00513323e-03 6.24469913e-03 8.17201957e-03] [ 3.94869548e-04 -1.33148089e-02 1.56604126e-02] [ 3.94869561e-04 -1.33148089e-02 -1.56604126e-02] [-3.94869551e-04 1.33148089e-02 1.56604126e-02] [-3.94869564e-04 1.33148089e-02 -1.56604126e-02] [-4.72356373e-02 -3.09195575e-02 2.12911910e-11] [-4.26924870e-02 6.23334103e-02 6.45930531e-12] [ 4.26924870e-02 -6.23334103e-02 9.60593237e-12] [ 4.72356373e-02 3.09195575e-02 2.64953831e-12] [-6.00513322e-03 -6.24469915e-03 -8.17201956e-03] [ 6.00513323e-03 6.24469915e-03 -8.17201956e-03] [-6.00513322e-03 -6.24469916e-03 8.17201955e-03] [ 6.00513322e-03 6.24469916e-03 8.17201954e-03] [ 3.94869578e-04 -1.33148089e-02 1.56604126e-02] [ 3.94869571e-04 -1.33148089e-02 -1.56604126e-02] [-3.94869576e-04 1.33148089e-02 1.56604126e-02] [-3.94869555e-04 1.33148089e-02 -1.56604126e-02] [-4.72356373e-02 -3.09195575e-02 -7.34022788e-12] [-4.26924870e-02 6.23334104e-02 -2.43783677e-12] [ 4.26924870e-02 -6.23334103e-02 -2.53520555e-12] [ 4.72356373e-02 3.09195575e-02 2.10200130e-12]] Final stress: [ 9.32769641e-04 -4.88792806e-04 -4.81949663e-04 1.08490467e-14 8.53790882e-15 5.08834327e-05] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.28707228e-02 -6.29514106e-12 1.04410465e-11] [-1.28707228e-02 -4.42326731e-12 7.97029109e-12] [ 1.30432727e-11 -6.41578929e-02 4.99886731e-12] [ 1.25072730e-11 6.41578929e-02 2.53630450e-13] [ 2.02725857e-12 -3.76109343e-12 1.28707228e-02] [ 6.51947940e-12 1.64934733e-12 -1.28707228e-02] [ 1.28707228e-02 1.29599846e-12 1.69943050e-12] [-1.28707228e-02 -3.74828194e-13 -2.02089415e-13] [ 4.70625709e-13 -6.41578929e-02 -2.42031134e-12] [-2.22234080e-12 6.41578929e-02 8.88509979e-13] [-4.69805445e-12 -6.50226447e-13 1.28707228e-02] [-1.35851200e-12 -4.94534514e-12 -1.28707228e-02] [-5.24260906e-02 7.14196260e-03 -5.24260906e-02] [ 5.24260906e-02 -7.14196258e-03 -5.24260906e-02] [ 5.24260906e-02 7.14196260e-03 5.24260906e-02] [-5.24260906e-02 -7.14196258e-03 5.24260906e-02] [-5.24260906e-02 7.14196259e-03 5.24260906e-02] [ 5.24260906e-02 -7.14196258e-03 5.24260906e-02] [-5.24260906e-02 -7.14196257e-03 -5.24260906e-02] [ 5.24260906e-02 7.14196260e-03 -5.24260906e-02] [-5.24260906e-02 7.14196259e-03 -5.24260906e-02] [ 5.24260906e-02 -7.14196259e-03 -5.24260906e-02] [ 5.24260906e-02 7.14196260e-03 5.24260906e-02] [-5.24260906e-02 -7.14196259e-03 5.24260906e-02] [-5.24260906e-02 7.14196259e-03 5.24260906e-02] [ 5.24260906e-02 -7.14196259e-03 5.24260906e-02] [-5.24260906e-02 -7.14196259e-03 -5.24260906e-02] [ 5.24260906e-02 7.14196257e-03 -5.24260906e-02] [ 4.01528810e-12 -2.07886208e-11 8.45534753e-12] [-1.17264115e-11 -2.91411933e-11 -1.35513875e-12] [-2.51909604e-12 -5.57224527e-03 -1.12118189e-02] [-6.51698140e-12 5.57224529e-03 -1.12118189e-02] [ 1.76395096e-12 -5.57224527e-03 1.12118189e-02] [ 7.17766368e-12 5.57224530e-03 1.12118188e-02] [-3.31000904e-02 -3.23241434e-12 -3.31000904e-02] [-3.31000904e-02 -2.27918882e-11 3.31000904e-02] [ 3.31000904e-02 5.79462520e-12 -3.31000904e-02] [ 3.31000904e-02 -1.75504281e-11 3.31000904e-02] [-1.12118189e-02 -5.57224525e-03 -7.36855021e-13] [ 1.12118189e-02 -5.57224526e-03 -1.31045973e-11] [-1.12118189e-02 5.57224526e-03 1.76183911e-11] [ 1.12118189e-02 5.57224527e-03 5.43409491e-12] [ 4.99088618e-14 -5.57224527e-03 -1.12118189e-02] [-1.61059313e-11 5.57224530e-03 -1.12118189e-02] [ 1.79118439e-13 -5.57224527e-03 1.12118189e-02] [-2.90312436e-12 5.57224526e-03 1.12118189e-02] [-3.31000904e-02 -2.20571617e-11 -3.31000904e-02] [-3.31000904e-02 -2.50458697e-12 3.31000904e-02] [ 3.31000904e-02 -2.42679610e-11 -3.31000904e-02] [ 3.31000904e-02 -5.30832756e-13 3.31000903e-02] [-1.12118188e-02 -5.57224529e-03 -1.42775997e-12] [ 1.12118189e-02 -5.57224528e-03 -8.54858773e-13] [-1.12118189e-02 5.57224526e-03 -9.69734839e-12] [ 1.12118189e-02 5.57224526e-03 -2.03314540e-11]] Final stress: [-8.17524123e-04 -7.46667394e-04 -8.17524123e-04 2.22156458e-15 1.41907426e-14 8.36246128e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.96704411e-03 -1.94180609e-13 -1.92995359e-13] [-1.96704412e-03 3.49720253e-15 -7.71327446e-14] [ 9.79748834e-13 7.41755974e-03 2.80152204e-13] [ 4.14557277e-13 -7.41755974e-03 -3.88078458e-13] [ 3.36173797e-13 -6.61055412e-14 7.41755974e-03] [ 3.29541949e-13 -2.63677968e-15 -7.41755974e-03] [ 1.96704411e-03 4.17966009e-13 4.93680494e-13] [-1.96704411e-03 -2.87573784e-14 3.14810538e-13] [-8.54694787e-13 7.41755974e-03 4.24388918e-13] [-4.78212522e-13 -7.41755974e-03 2.29614114e-14] [-8.56426041e-13 9.67243587e-13 7.41755974e-03] [-8.23024808e-13 9.90876231e-13 -7.41755974e-03] [ 3.18934701e-03 5.71771528e-04 5.71771529e-04] [-3.18934701e-03 -5.71771528e-04 5.71771528e-04] [-3.18934701e-03 5.71771527e-04 -5.71771528e-04] [ 3.18934701e-03 -5.71771528e-04 -5.71771528e-04] [ 3.18934701e-03 5.71771528e-04 -5.71771528e-04] [-3.18934701e-03 -5.71771527e-04 -5.71771527e-04] [ 3.18934701e-03 -5.71771528e-04 5.71771529e-04] [-3.18934701e-03 5.71771527e-04 5.71771528e-04] [ 3.18934701e-03 5.71771526e-04 5.71771527e-04] [-3.18934701e-03 -5.71771528e-04 5.71771529e-04] [-3.18934701e-03 5.71771529e-04 -5.71771529e-04] [ 3.18934701e-03 -5.71771527e-04 -5.71771527e-04] [ 3.18934701e-03 5.71771527e-04 -5.71771527e-04] [-3.18934701e-03 -5.71771528e-04 -5.71771528e-04] [ 3.18934701e-03 -5.71771526e-04 5.71771527e-04] [-3.18934701e-03 5.71771529e-04 5.71771530e-04] [ 7.21842031e-12 -2.88638557e-12 -4.37483383e-13] [ 1.20540990e-12 -1.64042088e-13 -1.50439530e-12] [-5.51902968e-12 -9.28249648e-04 -9.28249655e-04] [-3.67407667e-12 9.28249652e-04 -9.28249649e-04] [-5.59993718e-12 -9.28249646e-04 9.28249655e-04] [-3.92323847e-12 9.28249651e-04 9.28249648e-04] [ 5.46827272e-03 2.62900812e-13 -3.86188792e-03] [ 5.46827272e-03 -2.01212311e-13 3.86188792e-03] [-5.46827273e-03 -1.12853130e-12 -3.86188794e-03] [-5.46827273e-03 4.12864187e-13 3.86188793e-03] [ 5.46827272e-03 -3.86188792e-03 -1.71240799e-12] [-5.46827273e-03 -3.86188793e-03 -2.23076418e-12] [ 5.46827272e-03 3.86188792e-03 -2.64231866e-12] [-5.46827273e-03 3.86188793e-03 -9.31950697e-13] [ 6.15579636e-12 -9.28249649e-04 -9.28249653e-04] [ 7.72100309e-12 9.28249652e-04 -9.28249650e-04] [ 6.89600764e-12 -9.28249644e-04 9.28249657e-04] [ 6.60431605e-12 9.28249648e-04 9.28249651e-04] [ 5.46827273e-03 -2.24315432e-12 -3.86188793e-03] [ 5.46827273e-03 -1.20974129e-12 3.86188793e-03] [-5.46827272e-03 -9.48882466e-13 -3.86188792e-03] [-5.46827272e-03 -6.65311122e-13 3.86188792e-03] [ 5.46827273e-03 -3.86188793e-03 -2.59130337e-13] [-5.46827272e-03 -3.86188792e-03 5.09256615e-13] [ 5.46827273e-03 3.86188793e-03 -1.47479868e-13] [-5.46827272e-03 3.86188792e-03 -1.00833404e-13]] Final stress: [ 1.95316881e-04 -6.31330505e-05 -6.31330505e-05 1.24001128e-15 -6.15019002e-17 1.94478982e-16] Minimization converged after 39 steps. Minimization converged after 40 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.86950532e-05 3.63038592e-14 6.57026517e-16] [-4.86950534e-05 1.50157664e-14 4.49362769e-14] [ 9.98723673e-15 -5.53911801e-04 -4.03119378e-14] [ 1.83741911e-14 5.53911801e-04 -6.30051566e-15] [ 5.12294200e-14 -2.85535484e-15 -5.53911801e-04] [ 1.35169653e-14 -3.06699111e-14 5.53911801e-04] [ 4.86950538e-05 3.20880475e-14 -5.17962575e-15] [-4.86950536e-05 2.66123928e-14 -3.81922746e-14] [-1.09127117e-14 -5.53911801e-04 1.08585917e-14] [-5.98158675e-14 5.53911801e-04 -5.12894149e-14] [-8.28850877e-14 -7.15099255e-14 -5.53911801e-04] [-1.96123499e-14 -2.39816564e-14 5.53911801e-04] [-3.56153697e-04 -5.44307552e-05 -5.44307552e-05] [ 3.56153697e-04 5.44307553e-05 -5.44307554e-05] [ 3.56153697e-04 -5.44307554e-05 5.44307553e-05] [-3.56153697e-04 5.44307552e-05 5.44307552e-05] [-3.56153697e-04 -5.44307552e-05 5.44307552e-05] [ 3.56153697e-04 5.44307553e-05 5.44307553e-05] [-3.56153697e-04 5.44307551e-05 -5.44307552e-05] [ 3.56153697e-04 -5.44307553e-05 -5.44307553e-05] [-3.56153697e-04 -5.44307553e-05 -5.44307553e-05] [ 3.56153697e-04 5.44307552e-05 -5.44307552e-05] [ 3.56153697e-04 -5.44307552e-05 5.44307551e-05] [-3.56153697e-04 5.44307552e-05 5.44307551e-05] [-3.56153697e-04 -5.44307552e-05 5.44307552e-05] [ 3.56153697e-04 5.44307550e-05 5.44307551e-05] [-3.56153697e-04 5.44307553e-05 -5.44307552e-05] [ 3.56153697e-04 -5.44307552e-05 -5.44307552e-05] [ 3.21465077e-13 2.30426789e-13 3.20909965e-13] [-4.48434258e-13 1.48695931e-13 6.33924210e-14] [ 1.10023102e-13 4.81875407e-05 4.81875415e-05] [ 2.52124710e-14 -4.81875412e-05 4.81875408e-05] [ 2.15022444e-13 4.81875404e-05 -4.81875416e-05] [ 1.36553963e-13 -4.81875409e-05 -4.81875409e-05] [-5.83569897e-04 -1.39221967e-13 9.02209999e-05] [-5.83569897e-04 -1.14561138e-14 -9.02209997e-05] [ 5.83569897e-04 6.74339057e-14 9.02210002e-05] [ 5.83569897e-04 2.37589462e-13 -9.02209999e-05] [-5.83569897e-04 9.02210005e-05 3.09197112e-13] [ 5.83569897e-04 9.02210005e-05 1.34217290e-13] [-5.83569897e-04 -9.02210002e-05 1.77923648e-13] [ 5.83569897e-04 -9.02210002e-05 -9.62077640e-15] [-1.40716432e-14 4.81875413e-05 4.81875411e-05] [ 9.96533585e-14 -4.81875418e-05 4.81875405e-05] [-1.47074193e-13 4.81875410e-05 -4.81875413e-05] [-4.48517092e-14 -4.81875412e-05 -4.81875410e-05] [-5.83569897e-04 1.36364010e-13 9.02210005e-05] [-5.83569897e-04 9.37852226e-14 -9.02210003e-05] [ 5.83569897e-04 1.38294324e-13 9.02210002e-05] [ 5.83569897e-04 7.86389183e-14 -9.02210002e-05] [-5.83569897e-04 9.02210002e-05 -2.39401055e-14] [ 5.83569897e-04 9.02210000e-05 8.11324410e-14] [-5.83569897e-04 -9.02209999e-05 5.20960160e-14] [ 5.83569896e-04 -9.02209994e-05 1.36767334e-13]] Final stress: [-7.48183001e-05 -3.01740449e-05 -3.01740449e-05 -2.16170204e-17 -1.66284772e-17 6.15253658e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.90141998e-04 4.33364282e-14 -6.66346318e-14] [-1.90141998e-04 -5.23192600e-14 -2.68396416e-14] [ 2.31759056e-15 1.40873751e-03 2.28088465e-05] [ 1.03472786e-13 -1.40873751e-03 -2.28088464e-05] [ 2.30353930e-14 2.70542450e-05 1.95810594e-04] [ 6.93889390e-16 -2.70542451e-05 -1.95810594e-04] [ 1.90141998e-04 4.60733882e-14 -1.00851317e-14] [-1.90141998e-04 -2.46070525e-15 1.17860125e-14] [-2.69797205e-14 1.40873751e-03 2.28088466e-05] [-2.76120272e-14 -1.40873751e-03 -2.28088467e-05] [ 5.66040270e-14 2.70542450e-05 1.95810594e-04] [-4.33732911e-14 -2.70542449e-05 -1.95810594e-04] [ 1.33532379e-03 -2.79596590e-04 3.81910126e-04] [ 4.99694721e-04 2.03498370e-04 4.58875950e-04] [ 4.99694721e-04 -2.03498370e-04 -4.58875950e-04] [ 1.33532379e-03 2.79596590e-04 -3.81910126e-04] [-4.99694721e-04 -2.03498370e-04 -4.58875950e-04] [-1.33532379e-03 2.79596590e-04 -3.81910126e-04] [-4.99694721e-04 2.03498370e-04 4.58875950e-04] [-1.33532379e-03 -2.79596590e-04 3.81910126e-04] [ 1.33532379e-03 -2.79596590e-04 3.81910126e-04] [ 4.99694721e-04 2.03498370e-04 4.58875950e-04] [ 4.99694721e-04 -2.03498370e-04 -4.58875950e-04] [ 1.33532379e-03 2.79596590e-04 -3.81910126e-04] [-4.99694722e-04 -2.03498370e-04 -4.58875950e-04] [-1.33532379e-03 2.79596590e-04 -3.81910126e-04] [-4.99694721e-04 2.03498370e-04 4.58875950e-04] [-1.33532379e-03 -2.79596590e-04 3.81910126e-04] [ 8.84847751e-14 -4.79893902e-14 1.32477362e-13] [ 2.18183978e-13 -2.46186188e-13 -4.85796874e-14] [ 1.03361764e-13 1.13670598e-03 1.06492035e-03] [ 1.28848321e-13 8.68208175e-04 -9.42625016e-04] [-9.31581201e-14 -8.68208176e-04 9.42625015e-04] [ 2.24056884e-13 -1.13670598e-03 -1.06492035e-03] [ 6.76294992e-04 7.70385795e-04 6.76910521e-04] [ 6.76294992e-04 -7.70385795e-04 -6.76910521e-04] [-6.76294991e-04 7.70385794e-04 6.76910522e-04] [-6.76294991e-04 -7.70385795e-04 -6.76910522e-04] [ 6.00980612e-05 1.33802346e-04 7.69993756e-04] [-6.00980613e-05 1.33802346e-04 7.69993756e-04] [ 6.00980620e-05 -1.33802345e-04 -7.69993756e-04] [-6.00980618e-05 -1.33802345e-04 -7.69993756e-04] [-2.24256811e-13 1.13670598e-03 1.06492035e-03] [ 2.99426282e-14 8.68208175e-04 -9.42625016e-04] [-2.98705938e-13 -8.68208176e-04 9.42625016e-04] [-1.77546346e-13 -1.13670598e-03 -1.06492035e-03] [ 6.76294992e-04 7.70385795e-04 6.76910521e-04] [ 6.76294992e-04 -7.70385795e-04 -6.76910521e-04] [-6.76294992e-04 7.70385795e-04 6.76910521e-04] [-6.76294992e-04 -7.70385795e-04 -6.76910521e-04] [ 6.00980609e-05 1.33802346e-04 7.69993756e-04] [-6.00980612e-05 1.33802346e-04 7.69993756e-04] [ 6.00980612e-05 -1.33802346e-04 -7.69993756e-04] [-6.00980613e-05 -1.33802346e-04 -7.69993756e-04]] Final stress: [ 4.21017032e-05 -3.78491126e-05 4.21512505e-05 4.38823333e-05 3.49098131e-17 -3.32474411e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.68298214e-04 -6.98404008e-14 5.48389459e-15] [-1.68298214e-04 -7.16648962e-14 -6.01185768e-14] [-3.10463460e-14 1.23813603e-03 1.14895153e-05] [ 4.87110352e-14 -1.23813603e-03 -1.14895154e-05] [-4.74785142e-14 7.52201798e-06 1.72935102e-04] [ 8.90953977e-15 -7.52201802e-06 -1.72935102e-04] [ 1.68298214e-04 -1.05128146e-13 4.95281154e-14] [-1.68298214e-04 7.31359417e-15 4.72639342e-14] [ 2.06085149e-15 1.23813603e-03 1.14895153e-05] [-9.89490608e-14 -1.23813603e-03 -1.14895153e-05] [-1.97680414e-14 7.52201806e-06 1.72935102e-04] [-9.49240686e-15 -7.52201801e-06 -1.72935102e-04] [-4.21286125e-04 -2.00399904e-04 3.90858471e-04] [-1.15600523e-03 2.42859609e-04 3.48057150e-04] [-1.15600523e-03 -2.42859609e-04 -3.48057150e-04] [-4.21286125e-04 2.00399904e-04 -3.90858471e-04] [ 1.15600523e-03 -2.42859609e-04 -3.48057150e-04] [ 4.21286125e-04 2.00399904e-04 -3.90858471e-04] [ 1.15600523e-03 2.42859609e-04 3.48057150e-04] [ 4.21286125e-04 -2.00399904e-04 3.90858471e-04] [-4.21286125e-04 -2.00399904e-04 3.90858471e-04] [-1.15600523e-03 2.42859609e-04 3.48057150e-04] [-1.15600523e-03 -2.42859609e-04 -3.48057150e-04] [-4.21286125e-04 2.00399904e-04 -3.90858471e-04] [ 1.15600523e-03 -2.42859609e-04 -3.48057150e-04] [ 4.21286125e-04 2.00399904e-04 -3.90858471e-04] [ 1.15600523e-03 2.42859609e-04 3.48057151e-04] [ 4.21286125e-04 -2.00399904e-04 3.90858471e-04] [ 2.13440376e-14 -1.35391698e-13 1.99923411e-13] [-3.54508090e-14 -6.24560383e-14 2.05288336e-13] [ 1.92290628e-13 -7.48758006e-04 -8.55403739e-04] [-2.41091869e-14 -1.01247852e-03 9.08331400e-04] [ 1.94209232e-13 1.01247852e-03 -9.08331401e-04] [-1.42341000e-13 7.48758005e-04 8.55403741e-04] [ 5.96007425e-04 -6.52821861e-04 5.96414399e-04] [ 5.96007425e-04 6.52821859e-04 -5.96414399e-04] [-5.96007425e-04 -6.52821860e-04 5.96414399e-04] [-5.96007425e-04 6.52821860e-04 -5.96414399e-04] [ 2.57054419e-05 1.31501029e-04 -6.53177871e-04] [-2.57054419e-05 1.31501029e-04 -6.53177871e-04] [ 2.57054411e-05 -1.31501029e-04 6.53177871e-04] [-2.57054410e-05 -1.31501029e-04 6.53177872e-04] [-1.59844794e-13 -7.48758005e-04 -8.55403741e-04] [ 2.78692000e-14 -1.01247852e-03 9.08331401e-04] [ 1.00996468e-13 1.01247852e-03 -9.08331400e-04] [ 8.85697765e-14 7.48758006e-04 8.55403740e-04] [ 5.96007425e-04 -6.52821860e-04 5.96414399e-04] [ 5.96007425e-04 6.52821861e-04 -5.96414399e-04] [-5.96007425e-04 -6.52821860e-04 5.96414399e-04] [-5.96007425e-04 6.52821860e-04 -5.96414399e-04] [ 2.57054410e-05 1.31501029e-04 -6.53177871e-04] [-2.57054408e-05 1.31501030e-04 -6.53177871e-04] [ 2.57054417e-05 -1.31501029e-04 6.53177871e-04] [-2.57054420e-05 -1.31501028e-04 6.53177871e-04]] Final stress: [ 4.10453083e-05 -3.18947122e-05 4.10839743e-05 -4.36290811e-05 -2.82603249e-17 -1.64574833e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 9.67149351e-04 -2.51512353e-13 -4.37555374e-13] [-9.67149352e-04 -8.13793477e-13 6.97109037e-13] [-8.67206047e-13 -1.51101959e-02 7.13511544e-03] [ 4.10393941e-13 1.51101959e-02 -7.13511544e-03] [ 1.44928253e-12 7.90746348e-03 1.35413050e-03] [ 3.11944914e-13 -7.90746348e-03 -1.35413051e-03] [ 9.67149349e-04 2.89525348e-13 2.18316453e-15] [-9.67149354e-04 8.25530182e-13 -1.26128134e-12] [ 9.47239249e-13 -1.51101959e-02 7.13511544e-03] [-7.56786127e-13 1.51101959e-02 -7.13511544e-03] [-1.14277815e-12 7.90746348e-03 1.35413051e-03] [-1.13458548e-12 -7.90746348e-03 -1.35413051e-03] [ 1.02944278e-02 -1.03128909e-03 -9.70733558e-03] [ 2.24159284e-02 -7.25615390e-03 -1.80226541e-03] [ 2.24159284e-02 7.25615390e-03 1.80226541e-03] [ 1.02944278e-02 1.03128909e-03 9.70733559e-03] [-2.24159284e-02 7.25615390e-03 1.80226541e-03] [-1.02944278e-02 1.03128909e-03 9.70733558e-03] [-2.24159284e-02 -7.25615390e-03 -1.80226541e-03] [-1.02944278e-02 -1.03128909e-03 -9.70733558e-03] [ 1.02944278e-02 -1.03128909e-03 -9.70733559e-03] [ 2.24159284e-02 -7.25615390e-03 -1.80226541e-03] [ 2.24159284e-02 7.25615391e-03 1.80226541e-03] [ 1.02944278e-02 1.03128909e-03 9.70733558e-03] [-2.24159284e-02 7.25615391e-03 1.80226541e-03] [-1.02944278e-02 1.03128909e-03 9.70733558e-03] [-2.24159284e-02 -7.25615390e-03 -1.80226541e-03] [-1.02944278e-02 -1.03128909e-03 -9.70733559e-03] [ 2.71055400e-12 -4.63148964e-12 9.04989972e-12] [ 5.16189565e-12 -3.41619696e-12 -2.45353090e-14] [ 7.16759985e-13 1.80145083e-02 6.54846410e-03] [-2.12926204e-12 6.00960227e-03 -1.78219838e-02] [ 6.24639923e-12 -6.00960229e-03 1.78219838e-02] [ 1.04599315e-12 -1.80145083e-02 -6.54846409e-03] [-6.39989198e-03 1.56994711e-02 -6.23560253e-03] [-6.39989200e-03 -1.56994711e-02 6.23560251e-03] [ 6.39989199e-03 1.56994711e-02 -6.23560252e-03] [ 6.39989200e-03 -1.56994711e-02 6.23560251e-03] [-5.69677746e-03 6.14744713e-03 1.68100276e-02] [ 5.69677746e-03 6.14744713e-03 1.68100276e-02] [-5.69677747e-03 -6.14744714e-03 -1.68100276e-02] [ 5.69677748e-03 -6.14744715e-03 -1.68100276e-02] [-3.91426908e-13 1.80145083e-02 6.54846409e-03] [ 1.43058222e-12 6.00960229e-03 -1.78219838e-02] [-5.35120472e-12 -6.00960226e-03 1.78219838e-02] [-2.99645812e-12 -1.80145083e-02 -6.54846409e-03] [-6.39989200e-03 1.56994711e-02 -6.23560251e-03] [-6.39989199e-03 -1.56994711e-02 6.23560252e-03] [ 6.39989199e-03 1.56994711e-02 -6.23560251e-03] [ 6.39989199e-03 -1.56994711e-02 6.23560252e-03] [-5.69677748e-03 6.14744715e-03 1.68100276e-02] [ 5.69677748e-03 6.14744715e-03 1.68100276e-02] [-5.69677746e-03 -6.14744713e-03 -1.68100276e-02] [ 5.69677745e-03 -6.14744712e-03 -1.68100276e-02]] Final stress: [-1.74515665e-04 5.47321943e-04 -1.70501056e-04 1.24999643e-04 1.52634865e-15 1.21376308e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.22010969e-02 1.33125715e-12 -5.10296666e-13] [ 1.22010969e-02 1.89148697e-12 2.22094565e-12] [-2.56397399e-12 -3.54881007e-02 1.07320083e-02] [ 1.02412523e-12 3.54881007e-02 -1.07320083e-02] [-1.45641702e-12 8.76347560e-03 -9.53977298e-03] [ 1.99787409e-12 -8.76347560e-03 9.53977298e-03] [-1.22010969e-02 -3.90661462e-13 1.40952435e-12] [ 1.22010969e-02 -1.35439620e-12 -1.09613096e-12] [-1.29090011e-12 -3.54881007e-02 1.07320083e-02] [-2.72003774e-13 3.54881007e-02 -1.07320083e-02] [ 5.62412530e-13 8.76347560e-03 -9.53977297e-03] [ 6.84577828e-13 -8.76347560e-03 9.53977298e-03] [-3.96693676e-02 9.64004815e-03 -2.11555687e-02] [-1.12502629e-02 -1.83665971e-02 -5.21186841e-03] [-1.12502629e-02 1.83665972e-02 5.21186841e-03] [-3.96693676e-02 -9.64004815e-03 2.11555687e-02] [ 1.12502629e-02 1.83665972e-02 5.21186841e-03] [ 3.96693676e-02 -9.64004815e-03 2.11555687e-02] [ 1.12502629e-02 -1.83665972e-02 -5.21186841e-03] [ 3.96693676e-02 9.64004815e-03 -2.11555687e-02] [-3.96693676e-02 9.64004815e-03 -2.11555687e-02] [-1.12502629e-02 -1.83665971e-02 -5.21186841e-03] [-1.12502629e-02 1.83665972e-02 5.21186841e-03] [-3.96693676e-02 -9.64004815e-03 2.11555687e-02] [ 1.12502629e-02 1.83665972e-02 5.21186841e-03] [ 3.96693676e-02 -9.64004815e-03 2.11555687e-02] [ 1.12502629e-02 -1.83665972e-02 -5.21186841e-03] [ 3.96693676e-02 9.64004815e-03 -2.11555687e-02] [ 7.79432074e-12 -2.56986099e-12 5.80199777e-12] [ 4.93886182e-13 -7.02984959e-12 -2.22452057e-12] [-6.94577729e-12 -4.62323220e-02 -2.95084669e-02] [-2.26872687e-12 -4.06687308e-02 6.06462098e-02] [-4.47285264e-12 4.06687308e-02 -6.06462098e-02] [-5.53496200e-12 4.62323220e-02 2.95084669e-02] [-8.34079777e-03 -6.02752036e-03 -6.52401494e-03] [-8.34079777e-03 6.02752035e-03 6.52401494e-03] [ 8.34079776e-03 -6.02752036e-03 -6.52401496e-03] [ 8.34079776e-03 6.02752035e-03 6.52401496e-03] [ 1.54875807e-02 -3.19583591e-04 -1.29666921e-02] [-1.54875807e-02 -3.19583595e-04 -1.29666921e-02] [ 1.54875807e-02 3.19583599e-04 1.29666921e-02] [-1.54875807e-02 3.19583598e-04 1.29666921e-02] [ 1.35377083e-12 -4.62323220e-02 -2.95084669e-02] [ 1.63576184e-12 -4.06687308e-02 6.06462098e-02] [ 3.20109998e-12 4.06687308e-02 -6.06462098e-02] [ 6.53426879e-12 4.62323220e-02 2.95084669e-02] [-8.34079777e-03 -6.02752035e-03 -6.52401494e-03] [-8.34079777e-03 6.02752035e-03 6.52401494e-03] [ 8.34079777e-03 -6.02752036e-03 -6.52401494e-03] [ 8.34079777e-03 6.02752035e-03 6.52401494e-03] [ 1.54875807e-02 -3.19583600e-04 -1.29666921e-02] [-1.54875807e-02 -3.19583587e-04 -1.29666921e-02] [ 1.54875807e-02 3.19583616e-04 1.29666921e-02] [-1.54875807e-02 3.19583594e-04 1.29666921e-02]] Final stress: [-4.68814431e-04 9.32282429e-04 -4.73964332e-04 5.09040106e-05 -4.64721619e-15 -4.68379535e-15] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.28529599e-04 -3.19158762e-14 -5.88355399e-05] [ 1.28529599e-04 -3.06976666e-14 5.88355398e-05] [-4.17678045e-15 -7.42204001e-04 2.96138981e-14] [ 8.46545056e-15 7.42204002e-04 -5.19029264e-15] [-5.88355398e-05 -2.79993043e-14 -1.28529599e-04] [ 5.88355398e-05 -4.68514116e-14 1.28529599e-04] [-1.28529599e-04 7.60242563e-16 -5.88355398e-05] [ 1.28529599e-04 9.09402761e-14 5.88355398e-05] [ 2.63586895e-14 -7.42204001e-04 3.57932408e-14] [-5.62917768e-16 7.42204001e-04 1.55869542e-14] [-5.88355399e-05 3.59358276e-14 -1.28529599e-04] [ 5.88355399e-05 2.60734689e-14 1.28529599e-04] [-1.98769474e-04 6.05622524e-04 -1.98769474e-04] [ 2.35558549e-04 2.73587712e-04 -2.35558549e-04] [ 1.98769474e-04 6.05622524e-04 1.98769474e-04] [-2.35558549e-04 2.73587712e-04 2.35558549e-04] [-2.35558549e-04 -2.73587712e-04 2.35558549e-04] [ 1.98769474e-04 -6.05622524e-04 1.98769474e-04] [-1.98769474e-04 -6.05622524e-04 -1.98769474e-04] [ 2.35558549e-04 -2.73587712e-04 -2.35558549e-04] [-1.98769474e-04 6.05622524e-04 -1.98769474e-04] [ 2.35558549e-04 2.73587712e-04 -2.35558549e-04] [ 1.98769474e-04 6.05622524e-04 1.98769474e-04] [-2.35558549e-04 2.73587712e-04 2.35558549e-04] [-2.35558549e-04 -2.73587712e-04 2.35558549e-04] [ 1.98769474e-04 -6.05622524e-04 1.98769474e-04] [-1.98769474e-04 -6.05622524e-04 -1.98769474e-04] [ 2.35558549e-04 -2.73587712e-04 -2.35558549e-04] [ 2.45720111e-13 -1.74027459e-13 2.06834549e-13] [-7.51989616e-14 4.62005489e-15 1.47595836e-14] [ 3.00866687e-04 -5.98916848e-05 3.13704605e-05] [ 3.00866687e-04 5.98916847e-05 3.13704604e-05] [-3.00866687e-04 -5.98916847e-05 -3.13704605e-05] [-3.00866687e-04 5.98916847e-05 -3.13704605e-05] [ 1.64589263e-04 -1.26232358e-13 1.64589263e-04] [-8.73858760e-04 -1.06643860e-13 8.73858760e-04] [ 8.73858760e-04 -3.60250024e-14 -8.73858760e-04] [-1.64589263e-04 1.63983410e-14 -1.64589263e-04] [ 3.13704604e-05 -5.98916847e-05 3.00866687e-04] [-3.13704606e-05 -5.98916849e-05 -3.00866687e-04] [ 3.13704605e-05 5.98916848e-05 3.00866687e-04] [-3.13704606e-05 5.98916849e-05 -3.00866687e-04] [ 3.00866687e-04 -5.98916848e-05 3.13704606e-05] [ 3.00866687e-04 5.98916848e-05 3.13704605e-05] [-3.00866687e-04 -5.98916848e-05 -3.13704606e-05] [-3.00866687e-04 5.98916848e-05 -3.13704606e-05] [ 1.64589263e-04 -3.10413294e-14 1.64589263e-04] [-8.73858760e-04 -3.81936236e-14 8.73858760e-04] [ 8.73858760e-04 -2.13982044e-13 -8.73858760e-04] [-1.64589263e-04 -4.19291338e-14 -1.64589263e-04] [ 3.13704604e-05 -5.98916847e-05 3.00866687e-04] [-3.13704604e-05 -5.98916847e-05 -3.00866687e-04] [ 3.13704605e-05 5.98916848e-05 3.00866687e-04] [-3.13704606e-05 5.98916849e-05 -3.00866687e-04]] Final stress: [-3.83346925e-05 1.37508698e-05 -3.83346925e-05 9.97613494e-17 4.34311297e-05 -7.64837012e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.27189188e-04 2.92869028e-14 6.62015267e-05] [ 1.27189189e-04 7.85482790e-15 -6.62015267e-05] [ 2.79997379e-14 -6.82856253e-04 -1.36769936e-14] [ 5.24580379e-15 6.82856253e-04 -2.10109707e-14] [ 6.62015267e-05 4.42055247e-14 -1.27189188e-04] [-6.62015266e-05 4.16888746e-14 1.27189189e-04] [-1.27189189e-04 -9.14199272e-15 6.62015267e-05] [ 1.27189188e-04 4.20410234e-15 -6.62015267e-05] [-1.37173259e-14 -6.82856253e-04 7.80430821e-15] [-1.44047101e-14 6.82856253e-04 2.50731012e-14] [ 6.62015267e-05 -1.13708138e-14 -1.27189188e-04] [-6.62015267e-05 -9.57156195e-15 1.27189188e-04] [-2.22959417e-04 -2.38773920e-04 -2.22959417e-04] [ 1.73853158e-04 -5.56479182e-04 -1.73853158e-04] [ 2.22959417e-04 -2.38773920e-04 2.22959417e-04] [-1.73853158e-04 -5.56479182e-04 1.73853158e-04] [-1.73853158e-04 5.56479182e-04 1.73853158e-04] [ 2.22959417e-04 2.38773920e-04 2.22959417e-04] [-2.22959417e-04 2.38773920e-04 -2.22959417e-04] [ 1.73853158e-04 5.56479182e-04 -1.73853158e-04] [-2.22959417e-04 -2.38773920e-04 -2.22959417e-04] [ 1.73853158e-04 -5.56479182e-04 -1.73853158e-04] [ 2.22959417e-04 -2.38773920e-04 2.22959417e-04] [-1.73853158e-04 -5.56479182e-04 1.73853158e-04] [-1.73853158e-04 5.56479182e-04 1.73853158e-04] [ 2.22959417e-04 2.38773921e-04 2.22959417e-04] [-2.22959417e-04 2.38773921e-04 -2.22959417e-04] [ 1.73853158e-04 5.56479182e-04 -1.73853158e-04] [ 5.85920201e-14 -8.86513085e-14 -2.98094882e-14] [ 1.25485559e-13 -4.63428806e-14 8.03927297e-14] [-2.55954158e-04 -3.36765755e-05 1.96908480e-05] [-2.55954158e-04 3.36765755e-05 1.96908480e-05] [ 2.55954158e-04 -3.36765757e-05 -1.96908482e-05] [ 2.55954158e-04 3.36765756e-05 -1.96908482e-05] [-8.05469511e-04 -2.00506278e-13 -8.05469511e-04] [ 1.49481870e-04 -2.11016968e-13 -1.49481870e-04] [-1.49481870e-04 -6.16555418e-14 1.49481870e-04] [ 8.05469511e-04 -1.80480630e-14 8.05469511e-04] [ 1.96908486e-05 -3.36765760e-05 -2.55954158e-04] [-1.96908485e-05 -3.36765760e-05 2.55954158e-04] [ 1.96908484e-05 3.36765759e-05 -2.55954158e-04] [-1.96908484e-05 3.36765759e-05 2.55954158e-04] [-2.55954158e-04 -3.36765757e-05 1.96908481e-05] [-2.55954158e-04 3.36765758e-05 1.96908484e-05] [ 2.55954158e-04 -3.36765758e-05 -1.96908483e-05] [ 2.55954158e-04 3.36765760e-05 -1.96908486e-05] [-8.05469511e-04 -4.11215145e-14 -8.05469511e-04] [ 1.49481870e-04 -1.48780727e-14 -1.49481870e-04] [-1.49481870e-04 2.67364256e-14 1.49481870e-04] [ 8.05469511e-04 -1.83924057e-15 8.05469511e-04] [ 1.96908482e-05 -3.36765757e-05 -2.55954158e-04] [-1.96908480e-05 -3.36765756e-05 2.55954158e-04] [ 1.96908481e-05 3.36765756e-05 -2.55954158e-04] [-1.96908485e-05 3.36765758e-05 2.55954158e-04]] Final stress: [-3.79317357e-05 1.15464434e-05 -3.79317357e-05 -2.82657157e-17 -4.33852816e-05 8.97852145e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.87255346e-04 2.19455019e-05 3.10224936e-14] [-1.87255346e-04 -2.19455020e-05 6.77236045e-15] [ 1.78231629e-05 1.33904028e-03 5.32889705e-14] [-1.78231630e-05 -1.33904028e-03 -4.60187444e-14] [ 7.71171321e-14 6.67781802e-15 1.82027389e-04] [ 2.80886425e-14 4.20496971e-14 -1.82027389e-04] [ 1.87255346e-04 2.19455019e-05 -7.71723949e-15] [-1.87255346e-04 -2.19455019e-05 -8.70715151e-14] [ 1.78231629e-05 1.33904028e-03 2.02501222e-15] [-1.78231630e-05 -1.33904028e-03 -2.01088195e-14] [-1.24769986e-14 1.99143089e-14 1.82027389e-04] [ 4.77127018e-14 4.09289304e-14 -1.82027389e-04] [ 3.65008490e-04 -2.67398043e-04 1.26496314e-03] [-3.65008490e-04 2.67398043e-04 1.26496314e-03] [-4.31979824e-04 -2.00998073e-04 4.72733552e-04] [ 4.31979824e-04 2.00998073e-04 4.72733552e-04] [ 3.65008490e-04 -2.67398044e-04 -1.26496314e-03] [-3.65008490e-04 2.67398044e-04 -1.26496314e-03] [ 4.31979824e-04 2.00998073e-04 -4.72733552e-04] [-4.31979824e-04 -2.00998073e-04 -4.72733552e-04] [ 3.65008490e-04 -2.67398044e-04 1.26496314e-03] [-3.65008490e-04 2.67398043e-04 1.26496314e-03] [-4.31979824e-04 -2.00998073e-04 4.72733552e-04] [ 4.31979824e-04 2.00998073e-04 4.72733552e-04] [ 3.65008490e-04 -2.67398043e-04 -1.26496314e-03] [-3.65008490e-04 2.67398043e-04 -1.26496314e-03] [ 4.31979824e-04 2.00998073e-04 -4.72733552e-04] [-4.31979824e-04 -2.00998073e-04 -4.72733552e-04] [-3.52218255e-14 3.15580895e-14 4.55024907e-13] [ 1.76756613e-13 1.36138866e-14 -5.16962604e-13] [ 7.21369724e-04 1.54395875e-04 2.24484646e-05] [-7.21369724e-04 -1.54395874e-04 2.24484651e-05] [ 7.21369724e-04 1.54395874e-04 -2.24484654e-05] [-7.21369724e-04 -1.54395873e-04 -2.24484659e-05] [ 6.39651324e-04 7.21417172e-04 6.39146932e-04] [ 6.39651324e-04 7.21417171e-04 -6.39146933e-04] [-6.39651325e-04 -7.21417171e-04 6.39146932e-04] [-6.39651324e-04 -7.21417171e-04 -6.39146932e-04] [ 9.74350073e-04 1.10456047e-03 -3.92463839e-13] [ 9.27632848e-04 -7.94936049e-04 -5.42751608e-13] [-9.27632849e-04 7.94936048e-04 -2.62054267e-13] [-9.74350073e-04 -1.10456047e-03 -1.64058003e-13] [ 7.21369724e-04 1.54395874e-04 2.24484648e-05] [-7.21369724e-04 -1.54395874e-04 2.24484653e-05] [ 7.21369724e-04 1.54395874e-04 -2.24484647e-05] [-7.21369724e-04 -1.54395874e-04 -2.24484648e-05] [ 6.39651324e-04 7.21417171e-04 6.39146933e-04] [ 6.39651325e-04 7.21417171e-04 -6.39146932e-04] [-6.39651323e-04 -7.21417171e-04 6.39146934e-04] [-6.39651324e-04 -7.21417172e-04 -6.39146933e-04] [ 9.74350074e-04 1.10456047e-03 2.57468621e-13] [ 9.27632848e-04 -7.94936049e-04 4.89248978e-13] [-9.27632848e-04 7.94936049e-04 3.90009605e-13] [-9.74350073e-04 -1.10456047e-03 3.57169589e-13]] Final stress: [ 4.17653465e-05 -3.53432692e-05 4.17205552e-05 1.36314508e-16 -3.32474411e-18 4.38770192e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.02433510e-04 -2.89151684e-05 -3.40638975e-14] [-2.02433511e-04 2.89151683e-05 -1.31838984e-14] [-2.48146834e-05 1.34056353e-03 6.78103407e-15] [ 2.48146833e-05 -1.34056353e-03 1.75692794e-14] [ 9.72139036e-15 -1.24782996e-14 1.97200299e-04] [-6.39766018e-14 2.21211938e-14 -1.97200299e-04] [ 2.02433511e-04 -2.89151683e-05 -1.75276687e-14] [-2.02433511e-04 2.89151684e-05 -6.25396503e-14] [-2.48146833e-05 1.34056353e-03 2.37261052e-14] [ 2.48146834e-05 -1.34056353e-03 -1.85597065e-14] [-2.65018042e-14 -3.74747615e-14 1.97200299e-04] [-4.57099636e-15 -2.61301773e-14 -1.97200299e-04] [ 4.30130615e-04 -2.03276092e-04 -4.81337657e-04] [-4.30130615e-04 2.03276092e-04 -4.81337658e-04] [-3.65863481e-04 -2.66964349e-04 -1.27256880e-03] [ 3.65863481e-04 2.66964349e-04 -1.27256880e-03] [ 4.30130615e-04 -2.03276092e-04 4.81337658e-04] [-4.30130615e-04 2.03276092e-04 4.81337658e-04] [ 3.65863482e-04 2.66964348e-04 1.27256880e-03] [-3.65863482e-04 -2.66964349e-04 1.27256880e-03] [ 4.30130615e-04 -2.03276092e-04 -4.81337657e-04] [-4.30130615e-04 2.03276092e-04 -4.81337658e-04] [-3.65863482e-04 -2.66964348e-04 -1.27256880e-03] [ 3.65863481e-04 2.66964349e-04 -1.27256880e-03] [ 4.30130615e-04 -2.03276092e-04 4.81337658e-04] [-4.30130615e-04 2.03276092e-04 4.81337657e-04] [ 3.65863482e-04 2.66964349e-04 1.27256880e-03] [-3.65863482e-04 -2.66964349e-04 1.27256880e-03] [ 5.02570208e-13 -1.93400851e-13 3.44474449e-13] [-4.54669288e-13 -2.14702335e-13 -4.45108599e-13] [-7.13318139e-04 7.55250321e-05 9.28205517e-05] [ 7.13318138e-04 -7.55250324e-05 9.28205515e-05] [-7.13318139e-04 7.55250316e-05 -9.28205522e-05] [ 7.13318139e-04 -7.55250317e-05 -9.28205519e-05] [ 6.44731036e-04 -7.13324209e-04 6.44179792e-04] [ 6.44731035e-04 -7.13324209e-04 -6.44179793e-04] [-6.44731037e-04 7.13324209e-04 6.44179791e-04] [-6.44731035e-04 7.13324209e-04 -6.44179792e-04] [-8.63583457e-04 -8.79978841e-04 -4.70179451e-13] [-1.05111428e-03 1.03183694e-03 -3.43055445e-13] [ 1.05111428e-03 -1.03183694e-03 -2.17005233e-13] [ 8.63583456e-04 8.79978842e-04 -3.29005920e-13] [-7.13318138e-04 7.55250326e-05 9.28205512e-05] [ 7.13318139e-04 -7.55250324e-05 9.28205511e-05] [-7.13318138e-04 7.55250334e-05 -9.28205504e-05] [ 7.13318139e-04 -7.55250335e-05 -9.28205501e-05] [ 6.44731035e-04 -7.13324209e-04 6.44179793e-04] [ 6.44731035e-04 -7.13324209e-04 -6.44179793e-04] [-6.44731034e-04 7.13324209e-04 6.44179794e-04] [-6.44731035e-04 7.13324209e-04 -6.44179793e-04] [-8.63583456e-04 -8.79978843e-04 3.49816465e-13] [-1.05111428e-03 1.03183694e-03 5.74106511e-13] [ 1.05111428e-03 -1.03183694e-03 4.71057289e-13] [ 8.63583455e-04 8.79978843e-04 2.95138913e-13]] Final stress: [ 4.17001185e-05 -3.51630555e-05 4.16548818e-05 -6.48325101e-17 -2.65979529e-17 -4.39346160e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.22984808e-04 6.13328915e-03 -7.12502973e-14] [-7.22984814e-04 -6.13328914e-03 4.28573843e-13] [ 5.58335218e-03 -1.39900387e-02 3.15038794e-13] [-5.58335218e-03 1.39900387e-02 2.57044386e-13] [-5.08536789e-13 5.84153385e-13 4.12393828e-04] [-2.11830553e-13 3.56797925e-13 -4.12393835e-04] [ 7.22984812e-04 6.13328915e-03 5.74299559e-13] [-7.22984810e-04 -6.13328915e-03 -7.10621611e-13] [ 5.58335217e-03 -1.39900387e-02 -8.63544898e-13] [-5.58335217e-03 1.39900387e-02 -8.17885156e-13] [-3.37542928e-13 -9.93844155e-13 4.12393827e-04] [-4.86091202e-14 4.43228404e-13 -4.12393832e-04] [-8.16250145e-03 -4.57909891e-04 8.76279733e-03] [ 8.16250145e-03 4.57909892e-04 8.76279733e-03] [ 1.97595137e-03 6.04644265e-03 1.93649187e-02] [-1.97595137e-03 -6.04644265e-03 1.93649187e-02] [-8.16250145e-03 -4.57909890e-04 -8.76279733e-03] [ 8.16250146e-03 4.57909892e-04 -8.76279733e-03] [-1.97595137e-03 -6.04644265e-03 -1.93649187e-02] [ 1.97595137e-03 6.04644265e-03 -1.93649187e-02] [-8.16250145e-03 -4.57909895e-04 8.76279733e-03] [ 8.16250145e-03 4.57909894e-04 8.76279733e-03] [ 1.97595137e-03 6.04644265e-03 1.93649187e-02] [-1.97595137e-03 -6.04644265e-03 1.93649187e-02] [-8.16250145e-03 -4.57909893e-04 -8.76279733e-03] [ 8.16250145e-03 4.57909891e-04 -8.76279733e-03] [-1.97595137e-03 -6.04644265e-03 -1.93649187e-02] [ 1.97595137e-03 6.04644265e-03 -1.93649187e-02] [ 2.50621746e-12 3.68233222e-13 7.82457432e-12] [-2.98348585e-13 -1.10181839e-13 3.87821456e-12] [ 1.41379611e-02 2.03701574e-03 -2.10253345e-03] [-1.41379611e-02 -2.03701574e-03 -2.10253346e-03] [ 1.41379611e-02 2.03701573e-03 2.10253344e-03] [-1.41379611e-02 -2.03701573e-03 2.10253345e-03] [-5.60788296e-03 1.32874713e-02 -5.73853509e-03] [-5.60788295e-03 1.32874713e-02 5.73853510e-03] [ 5.60788295e-03 -1.32874713e-02 -5.73853511e-03] [ 5.60788294e-03 -1.32874713e-02 5.73853511e-03] [ 8.91364380e-03 1.27127353e-02 4.00868228e-12] [ 1.29839770e-02 -8.82949858e-03 4.54511082e-12] [-1.29839770e-02 8.82949858e-03 6.58950325e-13] [-8.91364381e-03 -1.27127353e-02 7.19859936e-13] [ 1.41379611e-02 2.03701574e-03 -2.10253346e-03] [-1.41379611e-02 -2.03701575e-03 -2.10253346e-03] [ 1.41379611e-02 2.03701574e-03 2.10253345e-03] [-1.41379611e-02 -2.03701574e-03 2.10253345e-03] [-5.60788296e-03 1.32874712e-02 -5.73853510e-03] [-5.60788295e-03 1.32874712e-02 5.73853510e-03] [ 5.60788296e-03 -1.32874713e-02 -5.73853509e-03] [ 5.60788296e-03 -1.32874713e-02 5.73853509e-03] [ 8.91364381e-03 1.27127353e-02 3.45044516e-12] [ 1.29839770e-02 -8.82949858e-03 2.97379195e-12] [-1.29839770e-02 8.82949860e-03 2.79007090e-12] [-8.91364380e-03 -1.27127353e-02 1.09299809e-12]] Final stress: [-1.57033874e-04 5.00431549e-04 -1.60520270e-04 -4.88830612e-16 -1.94534631e-16 1.06408436e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-9.51112714e-03 9.00590684e-03 7.65557756e-13] [ 9.51112713e-03 -9.00590683e-03 3.28592709e-12] [ 1.11522481e-02 -3.62940690e-02 7.39230725e-14] [-1.11522481e-02 3.62940691e-02 3.05649950e-12] [ 2.93871264e-13 1.83224963e-13 -1.23871916e-02] [-1.50710000e-12 -4.30191993e-12 1.23871916e-02] [-9.51112712e-03 9.00590684e-03 1.29852851e-13] [ 9.51112713e-03 -9.00590683e-03 -2.32800842e-12] [ 1.11522481e-02 -3.62940690e-02 7.04115550e-13] [-1.11522481e-02 3.62940691e-02 -2.15958744e-12] [-2.10023231e-12 -2.00440006e-12 -1.23871916e-02] [-3.51208082e-12 1.24527675e-12 1.23871916e-02] [-2.21217874e-02 1.00370482e-02 -4.11029889e-02] [ 2.21217874e-02 -1.00370482e-02 -4.11029889e-02] [ 5.27188226e-03 1.90529398e-02 -1.14979654e-02] [-5.27188226e-03 -1.90529398e-02 -1.14979654e-02] [-2.21217874e-02 1.00370482e-02 4.11029889e-02] [ 2.21217874e-02 -1.00370482e-02 4.11029889e-02] [-5.27188226e-03 -1.90529398e-02 1.14979654e-02] [ 5.27188226e-03 1.90529398e-02 1.14979654e-02] [-2.21217874e-02 1.00370482e-02 -4.11029889e-02] [ 2.21217874e-02 -1.00370482e-02 -4.11029889e-02] [ 5.27188226e-03 1.90529398e-02 -1.14979654e-02] [-5.27188227e-03 -1.90529398e-02 -1.14979654e-02] [-2.21217874e-02 1.00370482e-02 4.11029889e-02] [ 2.21217874e-02 -1.00370482e-02 4.11029889e-02] [-5.27188227e-03 -1.90529398e-02 1.14979654e-02] [ 5.27188226e-03 1.90529398e-02 1.14979654e-02] [ 1.52860224e-11 -5.81071302e-12 9.17793619e-12] [-6.11205878e-12 -2.87062058e-12 4.98491282e-12] [-1.35062408e-02 4.31796729e-04 1.58698507e-02] [ 1.35062408e-02 -4.31796721e-04 1.58698507e-02] [-1.35062408e-02 4.31796713e-04 -1.58698507e-02] [ 1.35062408e-02 -4.31796715e-04 -1.58698507e-02] [-6.15603336e-03 -6.06686877e-03 -8.12133456e-03] [-6.15603337e-03 -6.06686876e-03 8.12133456e-03] [ 6.15603337e-03 6.06686876e-03 -8.12133455e-03] [ 6.15603338e-03 6.06686877e-03 8.12133454e-03] [-3.12157685e-02 -4.77538211e-02 4.27469171e-12] [-6.30313601e-02 4.31496237e-02 4.00240951e-12] [ 6.30313601e-02 -4.31496237e-02 -1.80713430e-12] [ 3.12157685e-02 4.77538212e-02 -8.95057141e-12] [-1.35062408e-02 4.31796732e-04 1.58698507e-02] [ 1.35062408e-02 -4.31796741e-04 1.58698506e-02] [-1.35062408e-02 4.31796745e-04 -1.58698506e-02] [ 1.35062408e-02 -4.31796738e-04 -1.58698507e-02] [-6.15603339e-03 -6.06686877e-03 -8.12133454e-03] [-6.15603338e-03 -6.06686878e-03 8.12133454e-03] [ 6.15603340e-03 6.06686877e-03 -8.12133452e-03] [ 6.15603340e-03 6.06686877e-03 8.12133452e-03] [-3.12157685e-02 -4.77538212e-02 7.17737395e-13] [-6.30313601e-02 4.31496237e-02 1.24366229e-12] [ 6.30313601e-02 -4.31496237e-02 9.53113700e-12] [ 3.12157685e-02 4.77538212e-02 1.63734347e-11]] Final stress: [-4.93705870e-04 9.33549529e-04 -4.86283269e-04 3.17573629e-16 6.00230786e-15 5.19087780e-05] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.25916430e-02 4.94400961e-13 -3.36614417e-12] [-1.25916431e-02 -6.50507426e-13 -4.01262357e-12] [-2.75454616e-12 1.25916430e-02 -1.00677279e-12] [-4.60737004e-12 -1.25916430e-02 4.06313871e-13] [-3.51625716e-12 -2.96342616e-12 -6.37981370e-02] [-5.08484921e-12 3.09893777e-12 6.37981370e-02] [ 1.25916430e-02 -5.05866182e-12 -1.83651733e-12] [-1.25916430e-02 -6.09481179e-12 1.66059911e-12] [ 3.48225745e-12 1.25916431e-02 -2.44858998e-13] [ 2.82739233e-12 -1.25916431e-02 -9.35987305e-12] [ 3.71353816e-12 -4.44955781e-12 -6.37981370e-02] [ 4.13601445e-15 -5.88587867e-12 6.37981370e-02] [-5.21500767e-02 -5.21500767e-02 7.54729008e-03] [ 5.21500767e-02 5.21500767e-02 7.54729008e-03] [ 5.21500767e-02 -5.21500767e-02 -7.54729009e-03] [-5.21500767e-02 5.21500767e-02 -7.54729008e-03] [-5.21500767e-02 -5.21500767e-02 -7.54729009e-03] [ 5.21500767e-02 5.21500767e-02 -7.54729009e-03] [-5.21500767e-02 5.21500767e-02 7.54729008e-03] [ 5.21500767e-02 -5.21500767e-02 7.54729009e-03] [-5.21500767e-02 -5.21500767e-02 7.54729010e-03] [ 5.21500767e-02 5.21500767e-02 7.54729009e-03] [ 5.21500767e-02 -5.21500767e-02 -7.54729007e-03] [-5.21500767e-02 5.21500767e-02 -7.54729008e-03] [-5.21500767e-02 -5.21500767e-02 -7.54729008e-03] [ 5.21500767e-02 5.21500767e-02 -7.54729007e-03] [-5.21500767e-02 5.21500767e-02 7.54729009e-03] [ 5.21500767e-02 -5.21500767e-02 7.54729009e-03] [-1.28035915e-11 2.16313079e-12 -1.14768750e-11] [ 1.06128578e-11 -2.15210617e-12 -7.80519058e-12] [-4.73288075e-13 -1.14125432e-02 -4.79935233e-03] [-2.13252159e-13 1.14125432e-02 -4.79935234e-03] [-8.84375906e-12 -1.14125432e-02 4.79935232e-03] [-5.10562193e-12 1.14125433e-02 4.79935232e-03] [-1.14125433e-02 -6.39455155e-12 -4.79935233e-03] [-1.14125433e-02 -8.04833283e-12 4.79935234e-03] [ 1.14125432e-02 -9.72789817e-12 -4.79935235e-03] [ 1.14125432e-02 -6.82587285e-12 4.79935232e-03] [-3.36381244e-02 -3.36381243e-02 -2.48894239e-11] [ 3.36381244e-02 -3.36381243e-02 -1.11378493e-11] [-3.36381244e-02 3.36381243e-02 -2.05897157e-11] [ 3.36381244e-02 3.36381243e-02 -1.39171903e-11] [-5.62631886e-12 -1.14125432e-02 -4.79935234e-03] [-5.26880362e-12 1.14125433e-02 -4.79935232e-03] [ 4.46178944e-12 -1.14125432e-02 4.79935237e-03] [ 2.95103395e-12 1.14125432e-02 4.79935234e-03] [-1.14125432e-02 -1.22013994e-12 -4.79935232e-03] [-1.14125432e-02 -2.31035723e-12 4.79935233e-03] [ 1.14125433e-02 -1.22801205e-12 -4.79935230e-03] [ 1.14125432e-02 -3.72731577e-12 4.79935233e-03] [-3.36381244e-02 -3.36381244e-02 6.35168525e-12] [ 3.36381244e-02 -3.36381244e-02 -5.66927279e-12] [-3.36381244e-02 3.36381244e-02 4.60202789e-12] [ 3.36381244e-02 3.36381244e-02 -8.17961541e-12]] Final stress: [-8.11499675e-04 -8.11499675e-04 -7.48177227e-04 3.10619958e-15 1.60082352e-14 -1.44002614e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.69529598e-04 1.66082426e-14 -7.80018411e-15] [-1.69529598e-04 -8.04911693e-14 7.10542736e-15] [-6.59893147e-14 1.74087963e-04 -1.11923994e-06] [ 4.28268532e-14 -1.74087962e-04 1.11923991e-06] [-2.10716861e-14 -5.04707889e-06 1.22643337e-03] [-1.24900090e-15 5.04707888e-06 -1.22643337e-03] [ 1.69529598e-04 9.50108048e-15 1.19934395e-13] [-1.69529598e-04 5.56577354e-14 2.03033710e-14] [ 2.99495671e-14 1.74087963e-04 -1.11924004e-06] [-1.38222767e-14 -1.74087962e-04 1.11924003e-06] [-3.41532358e-14 -5.04707878e-06 1.22643337e-03] [-3.31549024e-14 5.04707886e-06 -1.22643337e-03] [ 1.14699955e-03 3.43113238e-04 -2.42637217e-04] [ 4.21368687e-04 -3.86651876e-04 -1.99355274e-04] [ 4.21368687e-04 3.86651876e-04 1.99355274e-04] [ 1.14699955e-03 -3.43113238e-04 2.42637217e-04] [-4.21368687e-04 3.86651876e-04 1.99355274e-04] [-1.14699955e-03 -3.43113238e-04 2.42637217e-04] [-4.21368687e-04 -3.86651876e-04 -1.99355274e-04] [-1.14699955e-03 3.43113238e-04 -2.42637217e-04] [ 1.14699955e-03 3.43113238e-04 -2.42637216e-04] [ 4.21368687e-04 -3.86651876e-04 -1.99355274e-04] [ 4.21368687e-04 3.86651876e-04 1.99355274e-04] [ 1.14699955e-03 -3.43113238e-04 2.42637216e-04] [-4.21368687e-04 3.86651876e-04 1.99355274e-04] [-1.14699955e-03 -3.43113238e-04 2.42637216e-04] [-4.21368687e-04 -3.86651876e-04 -1.99355274e-04] [-1.14699955e-03 3.43113238e-04 -2.42637216e-04] [ 1.93178806e-13 -2.61457522e-13 1.88987714e-13] [-2.36928099e-13 -4.80317053e-14 -2.37114596e-13] [-7.10542736e-15 8.85147888e-04 1.00970671e-03] [-9.31268951e-14 8.58041241e-04 -7.31035542e-04] [ 7.58178242e-14 -8.58041241e-04 7.31035542e-04] [ 2.78579243e-14 -8.85147888e-04 -1.00970671e-03] [ 1.28206969e-05 6.43162197e-04 1.38977381e-04] [ 1.28206972e-05 -6.43162197e-04 -1.38977381e-04] [-1.28206970e-05 6.43162197e-04 1.38977381e-04] [-1.28206972e-05 -6.43162197e-04 -1.38977381e-04] [ 5.87377671e-04 5.87759640e-04 6.42747927e-04] [-5.87377671e-04 5.87759639e-04 6.42747927e-04] [ 5.87377671e-04 -5.87759639e-04 -6.42747927e-04] [-5.87377671e-04 -5.87759639e-04 -6.42747927e-04] [-4.46036437e-14 8.85147889e-04 1.00970671e-03] [ 2.42661360e-13 8.58041241e-04 -7.31035543e-04] [ 2.93129236e-14 -8.58041241e-04 7.31035542e-04] [ 3.53772133e-13 -8.85147888e-04 -1.00970671e-03] [ 1.28206968e-05 6.43162197e-04 1.38977381e-04] [ 1.28206968e-05 -6.43162197e-04 -1.38977381e-04] [-1.28206966e-05 6.43162197e-04 1.38977381e-04] [-1.28206966e-05 -6.43162197e-04 -1.38977381e-04] [ 5.87377672e-04 5.87759639e-04 6.42747927e-04] [-5.87377672e-04 5.87759639e-04 6.42747927e-04] [ 5.87377672e-04 -5.87759639e-04 -6.42747927e-04] [-5.87377671e-04 -5.87759639e-04 -6.42747927e-04]] Final stress: [ 4.10047939e-05 4.10427097e-05 -3.13905778e-05 4.37046340e-05 -1.66237205e-18 -3.49098131e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.79289545e-04 -9.20231773e-14 -4.96061525e-14] [-1.79289545e-04 2.45914400e-14 -4.82114348e-14] [ 2.26294677e-15 1.84394538e-04 -1.66143759e-05] [ 3.63598041e-14 -1.84394538e-04 1.66143757e-05] [ 2.57602099e-14 -1.25227920e-05 1.31850628e-03] [ 7.10820292e-14 1.25227920e-05 -1.31850628e-03] [ 1.79289545e-04 -2.13544460e-14 3.17019576e-14] [-1.79289544e-04 -4.38555442e-14 -3.42600713e-15] [-9.04909828e-14 1.84394538e-04 -1.66143756e-05] [ 4.97245474e-14 -1.84394538e-04 1.66143758e-05] [ 2.08257890e-14 -1.25227921e-05 1.31850628e-03] [-6.59099511e-14 1.25227922e-05 -1.31850628e-03] [-4.62639113e-04 4.23668314e-04 -2.00799316e-04] [-1.24299706e-03 -3.61331995e-04 -2.62618503e-04] [-1.24299706e-03 3.61331995e-04 2.62618503e-04] [-4.62639113e-04 -4.23668314e-04 2.00799316e-04] [ 1.24299706e-03 3.61331995e-04 2.62618503e-04] [ 4.62639113e-04 -4.23668314e-04 2.00799317e-04] [ 1.24299706e-03 -3.61331995e-04 -2.62618503e-04] [ 4.62639113e-04 4.23668314e-04 -2.00799316e-04] [-4.62639113e-04 4.23668314e-04 -2.00799317e-04] [-1.24299706e-03 -3.61331995e-04 -2.62618503e-04] [-1.24299706e-03 3.61331995e-04 2.62618503e-04] [-4.62639113e-04 -4.23668314e-04 2.00799317e-04] [ 1.24299706e-03 3.61331995e-04 2.62618503e-04] [ 4.62639113e-04 -4.23668314e-04 2.00799316e-04] [ 1.24299706e-03 -3.61331995e-04 -2.62618503e-04] [ 4.62639113e-04 4.23668314e-04 -2.00799317e-04] [ 2.29927188e-13 6.17839113e-14 1.05165876e-13] [-3.54140328e-13 -3.19321018e-13 -2.83508887e-13] [-3.06865644e-13 -9.14723305e-04 -7.83456118e-04] [-4.42840209e-14 -9.58666268e-04 1.08744990e-03] [-2.44438150e-13 9.58666268e-04 -1.08744990e-03] [-1.69735753e-13 9.14723306e-04 7.83456118e-04] [ 2.10947208e-05 -7.07409109e-04 1.51592066e-04] [ 2.10947216e-05 7.07409109e-04 -1.51592066e-04] [-2.10947213e-05 -7.07409110e-04 1.51592066e-04] [-2.10947219e-05 7.07409109e-04 -1.51592065e-04] [ 6.30012283e-04 6.30494228e-04 -7.07368294e-04] [-6.30012284e-04 6.30494227e-04 -7.07368294e-04] [ 6.30012283e-04 -6.30494228e-04 7.07368295e-04] [-6.30012283e-04 -6.30494228e-04 7.07368295e-04] [ 5.66929316e-14 -9.14723305e-04 -7.83456119e-04] [ 2.11267635e-13 -9.58666269e-04 1.08744990e-03] [ 2.66577559e-13 9.58666269e-04 -1.08744990e-03] [ 1.19060144e-13 9.14723306e-04 7.83456118e-04] [ 2.10947213e-05 -7.07409109e-04 1.51592066e-04] [ 2.10947210e-05 7.07409109e-04 -1.51592066e-04] [-2.10947210e-05 -7.07409109e-04 1.51592066e-04] [-2.10947206e-05 7.07409109e-04 -1.51592066e-04] [ 6.30012284e-04 6.30494227e-04 -7.07368295e-04] [-6.30012284e-04 6.30494227e-04 -7.07368295e-04] [ 6.30012284e-04 -6.30494227e-04 7.07368295e-04] [-6.30012283e-04 -6.30494227e-04 7.07368295e-04]] Final stress: [ 4.15873821e-05 4.16308741e-05 -3.46360439e-05 -4.38338647e-05 -9.97423233e-18 -3.82345572e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.06706455e-05 -2.05287176e-13 7.78760303e-13] [-2.06706509e-05 -2.38004061e-13 -2.09665618e-13] [ 6.89547811e-13 2.48689065e-04 4.41802003e-03] [-1.18210997e-13 -2.48689060e-04 -4.41802003e-03] [-3.39203492e-13 4.07697641e-03 -1.21347039e-02] [ 8.12211409e-13 -4.07697641e-03 1.21347039e-02] [ 2.06706509e-05 3.53436464e-13 -3.55720875e-13] [-2.06706502e-05 4.07406747e-13 1.39987200e-14] [-5.34934510e-13 2.48689058e-04 4.41802003e-03] [-4.39284460e-13 -2.48689061e-04 -4.41802003e-03] [ 1.77058888e-14 4.07697641e-03 -1.21347040e-02] [-1.00878507e-12 -4.07697641e-03 1.21347039e-02] [ 7.02228132e-03 -6.53782390e-03 -1.22220368e-04] [ 1.58264105e-02 1.94728569e-03 4.71135991e-03] [ 1.58264105e-02 -1.94728570e-03 -4.71135991e-03] [ 7.02228132e-03 6.53782390e-03 1.22220365e-04] [-1.58264105e-02 -1.94728569e-03 -4.71135991e-03] [-7.02228132e-03 6.53782390e-03 1.22220366e-04] [-1.58264105e-02 1.94728569e-03 4.71135991e-03] [-7.02228131e-03 -6.53782390e-03 -1.22220368e-04] [ 7.02228131e-03 -6.53782390e-03 -1.22220368e-04] [ 1.58264105e-02 1.94728569e-03 4.71135991e-03] [ 1.58264105e-02 -1.94728569e-03 -4.71135991e-03] [ 7.02228131e-03 6.53782390e-03 1.22220368e-04] [-1.58264105e-02 -1.94728569e-03 -4.71135991e-03] [-7.02228131e-03 6.53782390e-03 1.22220367e-04] [-1.58264105e-02 1.94728570e-03 4.71135991e-03] [-7.02228132e-03 -6.53782390e-03 -1.22220367e-04] [ 4.94540520e-12 -6.14619466e-12 1.72134529e-12] [-1.00372835e-12 4.46661900e-12 -1.15163362e-12] [-2.34812170e-13 8.48976768e-03 9.48088107e-03] [-6.04207656e-13 1.01049939e-02 -8.83581553e-03] [-2.49762884e-12 -1.01049939e-02 8.83581552e-03] [-3.15525037e-12 -8.48976768e-03 -9.48088107e-03] [-8.69902364e-04 1.13476424e-02 3.73408171e-04] [-8.69902353e-04 -1.13476424e-02 -3.73408159e-04] [ 8.69902353e-04 1.13476424e-02 3.73408158e-04] [ 8.69902351e-04 -1.13476424e-02 -3.73408155e-04] [-5.05350127e-03 -4.95954365e-03 1.07569723e-02] [ 5.05350126e-03 -4.95954365e-03 1.07569723e-02] [-5.05350126e-03 4.95954365e-03 -1.07569723e-02] [ 5.05350125e-03 4.95954366e-03 -1.07569723e-02] [ 1.93819266e-12 8.48976768e-03 9.48088107e-03] [ 2.86324523e-12 1.01049939e-02 -8.83581553e-03] [ 7.96539223e-12 -1.01049939e-02 8.83581552e-03] [ 6.15199948e-12 -8.48976767e-03 -9.48088108e-03] [-8.69902353e-04 1.13476424e-02 3.73408157e-04] [-8.69902351e-04 -1.13476424e-02 -3.73408155e-04] [ 8.69902359e-04 1.13476424e-02 3.73408164e-04] [ 8.69902355e-04 -1.13476424e-02 -3.73408158e-04] [-5.05350126e-03 -4.95954365e-03 1.07569723e-02] [ 5.05350127e-03 -4.95954365e-03 1.07569723e-02] [-5.05350126e-03 4.95954366e-03 -1.07569723e-02] [ 5.05350126e-03 4.95954365e-03 -1.07569723e-02]] Final stress: [-1.38300521e-04 -1.35575137e-04 4.31473028e-04 8.83288623e-05 -9.97613494e-18 4.60564896e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.24468933e-02 -4.27772401e-13 -2.96531896e-13] [ 1.24468933e-02 -2.56988875e-13 5.28521671e-13] [ 3.13479321e-12 -9.61193008e-03 8.85931651e-03] [ 1.80264137e-12 9.61193008e-03 -8.85931651e-03] [ 2.64409805e-13 1.09728782e-02 -3.61634065e-02] [ 7.90367771e-13 -1.09728782e-02 3.61634065e-02] [-1.24468933e-02 -4.63247496e-13 -7.23993969e-13] [ 1.24468933e-02 6.63878674e-14 3.17619057e-13] [-1.00014701e-12 -9.61193008e-03 8.85931650e-03] [ 3.19993164e-13 9.61193008e-03 -8.85931651e-03] [-6.59802074e-13 1.09728782e-02 -3.61634065e-02] [-1.03211190e-12 -1.09728782e-02 3.61634065e-02] [-4.08906041e-02 -2.19133711e-02 9.97454070e-03] [-1.15366912e-02 5.25663681e-03 1.89361561e-02] [-1.15366912e-02 -5.25663682e-03 -1.89361561e-02] [-4.08906041e-02 2.19133711e-02 -9.97454070e-03] [ 1.15366912e-02 -5.25663682e-03 -1.89361561e-02] [ 4.08906041e-02 2.19133711e-02 -9.97454070e-03] [ 1.15366912e-02 5.25663682e-03 1.89361561e-02] [ 4.08906041e-02 -2.19133711e-02 9.97454070e-03] [-4.08906041e-02 -2.19133711e-02 9.97454070e-03] [-1.15366912e-02 5.25663681e-03 1.89361561e-02] [-1.15366912e-02 -5.25663681e-03 -1.89361561e-02] [-4.08906041e-02 2.19133711e-02 -9.97454070e-03] [ 1.15366912e-02 -5.25663681e-03 -1.89361561e-02] [ 4.08906041e-02 2.19133711e-02 -9.97454070e-03] [ 1.15366912e-02 5.25663682e-03 1.89361561e-02] [ 4.08906041e-02 -2.19133711e-02 9.97454071e-03] [ 6.54906684e-12 -1.15032150e-11 3.10707016e-12] [ 6.81713496e-12 4.55346059e-12 -1.12388117e-12] [-1.26132438e-12 -3.10393194e-02 -4.72986270e-02] [-3.02124992e-12 -6.24509755e-02 4.28614935e-02] [-1.95562316e-13 6.24509755e-02 -4.28614935e-02] [ 9.26509479e-13 3.10393194e-02 4.72986270e-02] [ 1.56623509e-02 -1.33348076e-02 4.63802858e-04] [ 1.56623509e-02 1.33348076e-02 -4.63802860e-04] [-1.56623509e-02 -1.33348076e-02 4.63802856e-04] [-1.56623509e-02 1.33348076e-02 -4.63802856e-04] [-8.15739311e-03 -6.22168411e-03 -5.99754400e-03] [ 8.15739310e-03 -6.22168412e-03 -5.99754401e-03] [-8.15739310e-03 6.22168411e-03 5.99754401e-03] [ 8.15739309e-03 6.22168412e-03 5.99754401e-03] [ 3.29302557e-12 -3.10393194e-02 -4.72986270e-02] [ 4.01676262e-12 -6.24509755e-02 4.28614935e-02] [ 2.01398013e-12 6.24509755e-02 -4.28614935e-02] [ 6.50775007e-13 3.10393194e-02 4.72986270e-02] [ 1.56623509e-02 -1.33348076e-02 4.63802842e-04] [ 1.56623509e-02 1.33348076e-02 -4.63802839e-04] [-1.56623509e-02 -1.33348076e-02 4.63802852e-04] [-1.56623509e-02 1.33348076e-02 -4.63802852e-04] [-8.15739310e-03 -6.22168411e-03 -5.99754400e-03] [ 8.15739311e-03 -6.22168411e-03 -5.99754400e-03] [-8.15739310e-03 6.22168411e-03 5.99754400e-03] [ 8.15739310e-03 6.22168411e-03 5.99754400e-03]] Final stress: [-4.82937837e-04 -4.89914445e-04 9.32670497e-04 5.07872814e-05 -4.76526712e-15 -1.25865569e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.76840355e-04 -1.66273245e-14 5.38827660e-06] [-1.76840354e-04 1.10828013e-13 -5.38827658e-06] [-3.35235312e-15 1.72372217e-04 -2.08244880e-14] [-4.04676292e-14 -1.72372217e-04 3.22242233e-14] [ 1.50492838e-06 3.91275554e-14 1.21289560e-03] [-1.50492829e-06 -3.53606033e-14 -1.21289560e-03] [ 1.76840354e-04 2.37253793e-14 5.38827667e-06] [-1.76840355e-04 1.90008599e-14 -5.38827671e-06] [-2.48173877e-14 1.72372217e-04 4.72786236e-14] [-3.82593263e-15 -1.72372217e-04 1.50583400e-15] [ 1.50492837e-06 -2.17189915e-14 1.21289560e-03] [-1.50492838e-06 2.38694902e-14 -1.21289560e-03] [ 3.37989384e-04 1.13660640e-03 -2.41808989e-04] [-3.81295636e-04 4.21381847e-04 -1.98673193e-04] [-3.37989385e-04 1.13660640e-03 2.41808989e-04] [ 3.81295636e-04 4.21381847e-04 1.98673193e-04] [ 3.81295636e-04 -4.21381847e-04 1.98673193e-04] [-3.37989384e-04 -1.13660640e-03 2.41808989e-04] [ 3.37989384e-04 -1.13660640e-03 -2.41808989e-04] [-3.81295636e-04 -4.21381847e-04 -1.98673193e-04] [ 3.37989384e-04 1.13660640e-03 -2.41808989e-04] [-3.81295636e-04 4.21381847e-04 -1.98673193e-04] [-3.37989384e-04 1.13660640e-03 2.41808989e-04] [ 3.81295636e-04 4.21381847e-04 1.98673193e-04] [ 3.81295636e-04 -4.21381847e-04 1.98673193e-04] [-3.37989385e-04 -1.13660640e-03 2.41808989e-04] [ 3.37989385e-04 -1.13660640e-03 -2.41808989e-04] [-3.81295636e-04 -4.21381847e-04 -1.98673193e-04] [-2.43166598e-13 1.54459778e-13 6.90003610e-14] [ 3.14009669e-13 -1.27358278e-14 -6.12300202e-14] [ 6.30640450e-04 7.75999555e-06 1.37226442e-04] [ 6.30640450e-04 -7.75999552e-06 1.37226442e-04] [-6.30640450e-04 7.75999536e-06 -1.37226442e-04] [-6.30640450e-04 -7.75999580e-06 -1.37226441e-04] [ 8.69168518e-04 -3.20188320e-13 9.97063885e-04] [-8.52232071e-04 -1.26889818e-13 7.21901539e-04] [ 8.52232071e-04 -2.83351467e-13 -7.21901539e-04] [-8.69168518e-04 -1.93116356e-13 -9.97063885e-04] [ 5.78775174e-04 5.78414468e-04 6.30157963e-04] [-5.78775175e-04 5.78414468e-04 -6.30157963e-04] [ 5.78775174e-04 -5.78414469e-04 6.30157963e-04] [-5.78775175e-04 -5.78414468e-04 -6.30157963e-04] [ 6.30640450e-04 7.75999440e-06 1.37226443e-04] [ 6.30640450e-04 -7.75999425e-06 1.37226443e-04] [-6.30640449e-04 7.75999462e-06 -1.37226443e-04] [-6.30640450e-04 -7.75999428e-06 -1.37226443e-04] [ 8.69168520e-04 1.95012213e-13 9.97063883e-04] [-8.52232069e-04 -5.41671742e-14 7.21901541e-04] [ 8.52232070e-04 2.87115817e-13 -7.21901540e-04] [-8.69168519e-04 3.66894015e-15 -9.97063884e-04] [ 5.78775173e-04 5.78414469e-04 6.30157963e-04] [-5.78775173e-04 5.78414469e-04 -6.30157963e-04] [ 5.78775173e-04 -5.78414469e-04 6.30157963e-04] [-5.78775174e-04 -5.78414469e-04 -6.30157963e-04]] Final stress: [ 4.09806884e-05 4.09435855e-05 -3.07951785e-05 3.82345572e-17 4.37806506e-05 -2.12783623e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.82250871e-04 -3.46441625e-14 -1.13785944e-05] [-1.82250871e-04 1.21597177e-13 1.13785944e-05] [ 8.49472402e-14 1.77600399e-04 -3.96392988e-14] [-4.85445018e-14 -1.77600400e-04 -3.81361609e-14] [-7.43724928e-06 3.74821701e-14 1.24425455e-03] [ 7.43724925e-06 2.24820162e-14 -1.24425455e-03] [ 1.82250871e-04 5.35253265e-14 -1.13785943e-05] [-1.82250871e-04 -8.63983364e-14 1.13785944e-05] [-5.38922205e-14 1.77600400e-04 -1.50783971e-14] [ 2.33120814e-14 -1.77600399e-04 1.68744886e-14] [-7.43724929e-06 -1.01782878e-14 1.24425455e-03] [ 7.43724927e-06 8.76632034e-14 -1.24425455e-03] [ 3.93404787e-04 -4.35962343e-04 -1.99683160e-04] [-3.44585556e-04 -1.16972428e-03 -2.48244702e-04] [-3.93404787e-04 -4.35962343e-04 1.99683160e-04] [ 3.44585556e-04 -1.16972428e-03 2.48244702e-04] [ 3.44585556e-04 1.16972428e-03 2.48244702e-04] [-3.93404787e-04 4.35962343e-04 1.99683160e-04] [ 3.93404787e-04 4.35962343e-04 -1.99683160e-04] [-3.44585556e-04 1.16972428e-03 -2.48244702e-04] [ 3.93404788e-04 -4.35962343e-04 -1.99683160e-04] [-3.44585556e-04 -1.16972428e-03 -2.48244702e-04] [-3.93404787e-04 -4.35962343e-04 1.99683160e-04] [ 3.44585556e-04 -1.16972428e-03 2.48244702e-04] [ 3.44585556e-04 1.16972428e-03 2.48244702e-04] [-3.93404788e-04 4.35962343e-04 1.99683160e-04] [ 3.93404787e-04 4.35962343e-04 -1.99683160e-04] [-3.44585556e-04 1.16972428e-03 -2.48244702e-04] [-1.99618100e-13 1.29340982e-14 6.86950496e-14] [ 2.61906382e-13 -1.24820178e-13 -5.03353686e-15] [-6.51257983e-04 2.05063789e-05 1.30602797e-04] [-6.51257983e-04 -2.05063792e-05 1.30602797e-04] [ 6.51257983e-04 2.05063791e-05 -1.30602797e-04] [ 6.51257984e-04 -2.05063792e-05 -1.30602797e-04] [-8.62535274e-04 -8.30446822e-14 -7.51577615e-04] [ 9.05067508e-04 -1.49741330e-14 -1.01351875e-03] [-9.05067508e-04 -4.60985417e-13 1.01351875e-03] [ 8.62535274e-04 -5.59045865e-13 7.51577615e-04] [ 5.94132502e-04 5.93732532e-04 -6.50886876e-04] [-5.94132501e-04 5.93732533e-04 6.50886876e-04] [ 5.94132501e-04 -5.93732533e-04 -6.50886876e-04] [-5.94132501e-04 -5.93732533e-04 6.50886876e-04] [-6.51257983e-04 2.05063798e-05 1.30602796e-04] [-6.51257984e-04 -2.05063792e-05 1.30602797e-04] [ 6.51257983e-04 2.05063794e-05 -1.30602797e-04] [ 6.51257983e-04 -2.05063790e-05 -1.30602797e-04] [-8.62535275e-04 -5.08789793e-15 -7.51577614e-04] [ 9.05067507e-04 3.98457309e-14 -1.01351875e-03] [-9.05067508e-04 3.11888102e-13 1.01351875e-03] [ 8.62535274e-04 3.84892639e-13 7.51577615e-04] [ 5.94132501e-04 5.93732533e-04 -6.50886876e-04] [-5.94132501e-04 5.93732532e-04 6.50886876e-04] [ 5.94132502e-04 -5.93732532e-04 -6.50886877e-04] [-5.94132501e-04 -5.93732532e-04 6.50886877e-04]] Final stress: [ 4.11688073e-05 4.11298300e-05 -3.18763960e-05 -1.23015532e-16 -4.38221207e-05 1.32989764e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.26617531e-04 1.04839314e-13 4.45239226e-03] [-4.26617530e-04 1.38278278e-13 -4.45239225e-03] [-1.55708779e-13 1.70364943e-04 2.21697660e-13] [-1.16517906e-13 -1.70364941e-04 -3.14609450e-13] [ 4.06180036e-03 1.05311593e-13 -1.24703836e-02] [-4.06180036e-03 -5.83977311e-14 1.24703836e-02] [ 4.26617532e-04 7.04223572e-13 4.45239225e-03] [-4.26617531e-04 -9.54019849e-14 -4.45239226e-03] [-6.83654522e-13 1.70364946e-04 -7.84423523e-13] [ 4.24409206e-13 -1.70364942e-04 -8.63666248e-13] [ 4.06180036e-03 5.67854466e-14 -1.24703836e-02] [-4.06180036e-03 2.49558210e-13 1.24703836e-02] [-6.97169089e-03 7.25661213e-03 -2.29913187e-04] [ 2.10470520e-03 1.66912053e-02 4.95112023e-03] [ 6.97169089e-03 7.25661213e-03 2.29913187e-04] [-2.10470520e-03 1.66912053e-02 -4.95112022e-03] [-2.10470520e-03 -1.66912053e-02 -4.95112023e-03] [ 6.97169090e-03 -7.25661213e-03 2.29913189e-04] [-6.97169089e-03 -7.25661213e-03 -2.29913187e-04] [ 2.10470520e-03 -1.66912053e-02 4.95112023e-03] [-6.97169089e-03 7.25661213e-03 -2.29913188e-04] [ 2.10470520e-03 1.66912053e-02 4.95112023e-03] [ 6.97169089e-03 7.25661213e-03 2.29913185e-04] [-2.10470520e-03 1.66912053e-02 -4.95112023e-03] [-2.10470520e-03 -1.66912053e-02 -4.95112023e-03] [ 6.97169089e-03 -7.25661213e-03 2.29913186e-04] [-6.97169089e-03 -7.25661213e-03 -2.29913188e-04] [ 2.10470520e-03 -1.66912053e-02 4.95112022e-03] [-1.60330083e-12 -2.00883754e-12 4.32898162e-12] [-4.57366783e-13 -4.64698208e-12 -2.66213220e-12] [ 1.22565197e-02 -4.18524423e-03 3.83210104e-03] [ 1.22565197e-02 4.18524423e-03 3.83210104e-03] [-1.22565197e-02 -4.18524424e-03 -3.83210105e-03] [-1.22565197e-02 4.18524425e-03 -3.83210105e-03] [ 5.81538710e-03 2.87769808e-13 1.35754914e-02] [-1.40530197e-02 1.98360599e-12 6.04091028e-03] [ 1.40530197e-02 -1.81180765e-12 -6.04091029e-03] [-5.81538710e-03 1.94632505e-12 -1.35754914e-02] [-5.50556152e-03 -5.61726733e-03 1.15570889e-02] [ 5.50556152e-03 -5.61726734e-03 -1.15570889e-02] [-5.50556152e-03 5.61726734e-03 1.15570889e-02] [ 5.50556152e-03 5.61726734e-03 -1.15570889e-02] [ 1.22565197e-02 -4.18524424e-03 3.83210105e-03] [ 1.22565197e-02 4.18524424e-03 3.83210105e-03] [-1.22565197e-02 -4.18524424e-03 -3.83210105e-03] [-1.22565197e-02 4.18524424e-03 -3.83210104e-03] [ 5.81538710e-03 -3.08453432e-12 1.35754914e-02] [-1.40530196e-02 -1.15800598e-12 6.04091029e-03] [ 1.40530197e-02 -3.37373705e-12 -6.04091028e-03] [-5.81538711e-03 -2.96065256e-13 -1.35754914e-02] [-5.50556152e-03 -5.61726733e-03 1.15570889e-02] [ 5.50556152e-03 -5.61726733e-03 -1.15570889e-02] [-5.50556152e-03 5.61726733e-03 1.15570889e-02] [ 5.50556153e-03 5.61726733e-03 -1.15570889e-02]] Final stress: [-1.35935718e-04 -1.38801012e-04 4.50384317e-04 3.55815480e-16 8.84520783e-05 -5.37048598e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-9.54803638e-03 -1.57549321e-12 9.08834781e-03] [ 9.54803638e-03 -1.89259719e-12 -9.08834782e-03] [-4.03896101e-13 -1.26066015e-02 6.56392041e-13] [ 2.07461825e-12 1.26066015e-02 -2.24714691e-12] [ 1.13855724e-02 5.13934164e-13 -3.69427071e-02] [-1.13855724e-02 -1.90569782e-13 3.69427071e-02] [-9.54803637e-03 5.40812187e-13 9.08834782e-03] [ 9.54803638e-03 1.19149135e-12 -9.08834782e-03] [ 4.94673746e-14 -1.26066015e-02 -2.93453677e-13] [-2.34038657e-12 1.26066015e-02 1.18254564e-12] [ 1.13855724e-02 5.75991223e-13 -3.69427071e-02] [-1.13855724e-02 -6.37534092e-13 3.69427071e-02] [-2.28944245e-02 -4.23269682e-02 1.03627926e-02] [ 5.31231714e-03 -1.17705259e-02 1.96074351e-02] [ 2.28944245e-02 -4.23269682e-02 -1.03627926e-02] [-5.31231714e-03 -1.17705259e-02 -1.96074351e-02] [-5.31231714e-03 1.17705259e-02 -1.96074351e-02] [ 2.28944245e-02 4.23269682e-02 -1.03627926e-02] [-2.28944245e-02 4.23269682e-02 1.03627926e-02] [ 5.31231714e-03 1.17705259e-02 1.96074351e-02] [-2.28944245e-02 -4.23269682e-02 1.03627926e-02] [ 5.31231714e-03 -1.17705259e-02 1.96074351e-02] [ 2.28944245e-02 -4.23269682e-02 -1.03627926e-02] [-5.31231714e-03 -1.17705259e-02 -1.96074351e-02] [-5.31231714e-03 1.17705259e-02 -1.96074351e-02] [ 2.28944245e-02 4.23269682e-02 -1.03627926e-02] [-2.28944245e-02 4.23269682e-02 1.03627926e-02] [ 5.31231714e-03 1.17705259e-02 1.96074351e-02] [ 3.30052652e-12 -1.71984649e-12 1.83256188e-12] [-6.50518788e-12 -6.10528918e-12 -6.34723790e-12] [-1.38908164e-02 1.60364843e-02 1.23792427e-03] [-1.38908164e-02 -1.60364843e-02 1.23792427e-03] [ 1.38908164e-02 1.60364843e-02 -1.23792426e-03] [ 1.38908164e-02 -1.60364843e-02 -1.23792426e-03] [-3.27925753e-02 2.74180678e-12 -4.88511903e-02] [ 6.48550172e-02 -6.74677328e-13 -4.53870880e-02] [-6.48550172e-02 1.79956917e-12 4.53870881e-02] [ 3.27925753e-02 -4.57353795e-13 4.88511903e-02] [-5.81117383e-03 -7.90095925e-03 -6.04118028e-03] [ 5.81117382e-03 -7.90095926e-03 6.04118028e-03] [-5.81117382e-03 7.90095927e-03 -6.04118028e-03] [ 5.81117382e-03 7.90095927e-03 6.04118029e-03] [-1.38908164e-02 1.60364843e-02 1.23792425e-03] [-1.38908164e-02 -1.60364843e-02 1.23792424e-03] [ 1.38908164e-02 1.60364843e-02 -1.23792425e-03] [ 1.38908164e-02 -1.60364843e-02 -1.23792424e-03] [-3.27925754e-02 -1.81158209e-12 -4.88511903e-02] [ 6.48550172e-02 8.17795538e-12 -4.53870881e-02] [-6.48550172e-02 -2.77548340e-12 4.53870881e-02] [ 3.27925754e-02 -1.65314767e-12 4.88511903e-02] [-5.81117381e-03 -7.90095928e-03 -6.04118029e-03] [ 5.81117379e-03 -7.90095929e-03 6.04118028e-03] [-5.81117380e-03 7.90095928e-03 -6.04118029e-03] [ 5.81117380e-03 7.90095929e-03 6.04118028e-03]] Final stress: [-5.09905471e-04 -5.00432664e-04 9.31780725e-04 8.08066930e-16 5.14705781e-05 -4.51420106e-15] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.25278507e-04 -6.13973470e-05 4.86863154e-14] [ 1.25278507e-04 6.13973469e-05 -3.08086889e-15] [-6.13973469e-05 -1.25278507e-04 2.74801883e-14] [ 6.13973469e-05 1.25278507e-04 2.31481501e-14] [ 9.08344580e-15 -1.62118582e-14 -7.22174827e-04] [ 1.18238752e-14 -7.77156117e-15 7.22174827e-04] [-1.25278507e-04 -6.13973469e-05 1.41197367e-14] [ 1.25278507e-04 6.13973469e-05 7.57588029e-15] [-6.13973469e-05 -1.25278507e-04 9.48572151e-15] [ 6.13973469e-05 1.25278507e-04 -1.81065229e-14] [-2.09940572e-14 -4.18772390e-15 -7.22174827e-04] [-4.63440050e-14 9.07378650e-15 7.22174827e-04] [-1.91344711e-04 -1.91344711e-04 5.88264708e-04] [ 1.91344711e-04 1.91344711e-04 5.88264708e-04] [ 2.30836782e-04 -2.30836782e-04 2.61512167e-04] [-2.30836782e-04 2.30836782e-04 2.61512166e-04] [-1.91344711e-04 -1.91344711e-04 -5.88264708e-04] [ 1.91344711e-04 1.91344711e-04 -5.88264708e-04] [-2.30836782e-04 2.30836782e-04 -2.61512166e-04] [ 2.30836782e-04 -2.30836782e-04 -2.61512166e-04] [-1.91344711e-04 -1.91344711e-04 5.88264708e-04] [ 1.91344711e-04 1.91344711e-04 5.88264708e-04] [ 2.30836782e-04 -2.30836782e-04 2.61512167e-04] [-2.30836782e-04 2.30836782e-04 2.61512167e-04] [-1.91344711e-04 -1.91344711e-04 -5.88264708e-04] [ 1.91344711e-04 1.91344711e-04 -5.88264708e-04] [-2.30836782e-04 2.30836782e-04 -2.61512166e-04] [ 2.30836782e-04 -2.30836782e-04 -2.61512166e-04] [ 2.23016050e-13 1.14186438e-13 1.23262511e-13] [-1.09218190e-14 7.35681875e-14 -1.76358117e-13] [ 2.88065195e-04 3.59540807e-05 -6.09630571e-05] [-2.88065194e-04 -3.59540805e-05 -6.09630568e-05] [ 2.88065195e-04 3.59540808e-05 6.09630571e-05] [-2.88065194e-04 -3.59540805e-05 6.09630568e-05] [ 3.59540800e-05 2.88065195e-04 -6.09630563e-05] [ 3.59540802e-05 2.88065195e-04 6.09630566e-05] [-3.59540800e-05 -2.88065195e-04 -6.09630563e-05] [-3.59540801e-05 -2.88065194e-04 6.09630565e-05] [ 1.58950957e-04 1.58950956e-04 -1.56541446e-14] [ 8.49411519e-04 -8.49411519e-04 1.01519487e-13] [-8.49411519e-04 8.49411519e-04 -5.66300479e-14] [-1.58950957e-04 -1.58950956e-04 1.21049004e-14] [ 2.88065195e-04 3.59540800e-05 -6.09630564e-05] [-2.88065195e-04 -3.59540802e-05 -6.09630566e-05] [ 2.88065195e-04 3.59540799e-05 6.09630563e-05] [-2.88065195e-04 -3.59540800e-05 6.09630563e-05] [ 3.59540805e-05 2.88065194e-04 -6.09630569e-05] [ 3.59540804e-05 2.88065194e-04 6.09630567e-05] [-3.59540808e-05 -2.88065195e-04 -6.09630571e-05] [-3.59540808e-05 -2.88065195e-04 6.09630572e-05] [ 1.58950956e-04 1.58950957e-04 -3.53544186e-14] [ 8.49411519e-04 -8.49411519e-04 -2.27080317e-14] [-8.49411519e-04 8.49411519e-04 -3.17642437e-15] [-1.58950956e-04 -1.58950957e-04 -2.85917123e-14]] Final stress: [-3.82086916e-05 -3.82086916e-05 1.30478201e-05 -4.15672289e-17 1.01424039e-16 4.34171283e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.16698587e-04 6.99980090e-05 2.88740386e-14] [ 1.16698587e-04 -6.99980089e-05 5.60662627e-15] [ 6.99980090e-05 -1.16698587e-04 2.45923074e-14] [-6.99980089e-05 1.16698588e-04 1.12965193e-14] [-1.21846977e-14 -7.00698180e-15 -6.53703727e-04] [-1.07414078e-14 1.29896094e-14 6.53703727e-04] [-1.16698587e-04 6.99980090e-05 -1.26389417e-14] [ 1.16698588e-04 -6.99980090e-05 2.26688827e-14] [ 6.99980090e-05 -1.16698587e-04 -2.60343413e-14] [-6.99980089e-05 1.16698587e-04 5.79881274e-15] [-2.90223574e-14 7.08728666e-15 -6.53703727e-04] [-5.28821778e-14 -1.69058258e-14 6.53703727e-04] [-2.15098963e-04 -2.15098963e-04 -2.20513053e-04] [ 2.15098963e-04 2.15098963e-04 -2.20513053e-04] [ 1.65041741e-04 -1.65041741e-04 -5.29704280e-04] [-1.65041741e-04 1.65041741e-04 -5.29704280e-04] [-2.15098963e-04 -2.15098963e-04 2.20513053e-04] [ 2.15098963e-04 2.15098963e-04 2.20513053e-04] [-1.65041741e-04 1.65041741e-04 5.29704280e-04] [ 1.65041741e-04 -1.65041741e-04 5.29704280e-04] [-2.15098963e-04 -2.15098963e-04 -2.20513053e-04] [ 2.15098963e-04 2.15098963e-04 -2.20513053e-04] [ 1.65041741e-04 -1.65041741e-04 -5.29704280e-04] [-1.65041741e-04 1.65041741e-04 -5.29704280e-04] [-2.15098963e-04 -2.15098963e-04 2.20513053e-04] [ 2.15098963e-04 2.15098963e-04 2.20513053e-04] [-1.65041741e-04 1.65041741e-04 5.29704280e-04] [ 1.65041741e-04 -1.65041741e-04 5.29704280e-04] [ 8.66251515e-14 -1.22485355e-13 1.23262511e-13] [-7.65169178e-14 -3.61998649e-14 -3.72506851e-14] [-2.42100017e-04 4.50218240e-05 -5.66894537e-05] [ 2.42100017e-04 -4.50218241e-05 -5.66894538e-05] [-2.42100017e-04 4.50218242e-05 5.66894539e-05] [ 2.42100017e-04 -4.50218242e-05 5.66894538e-05] [ 4.50218236e-05 -2.42100017e-04 -5.66894533e-05] [ 4.50218236e-05 -2.42100017e-04 5.66894533e-05] [-4.50218240e-05 2.42100017e-04 -5.66894538e-05] [-4.50218240e-05 2.42100017e-04 5.66894538e-05] [-7.66874969e-04 -7.66874969e-04 -4.09672296e-14] [-1.40299116e-04 1.40299116e-04 3.67050140e-14] [ 1.40299116e-04 -1.40299116e-04 8.50708393e-15] [ 7.66874969e-04 7.66874969e-04 1.20320420e-14] [-2.42100017e-04 4.50218238e-05 -5.66894535e-05] [ 2.42100017e-04 -4.50218239e-05 -5.66894537e-05] [-2.42100017e-04 4.50218237e-05 5.66894535e-05] [ 2.42100017e-04 -4.50218239e-05 5.66894536e-05] [ 4.50218241e-05 -2.42100017e-04 -5.66894537e-05] [ 4.50218239e-05 -2.42100017e-04 5.66894536e-05] [-4.50218242e-05 2.42100017e-04 -5.66894538e-05] [-4.50218242e-05 2.42100017e-04 5.66894538e-05] [-7.66874969e-04 -7.66874969e-04 9.39149334e-14] [-1.40299116e-04 1.40299117e-04 1.26116091e-14] [ 1.40299116e-04 -1.40299116e-04 -2.71888293e-14] [ 7.66874970e-04 7.66874969e-04 -5.54434970e-14]] Final stress: [-3.77710068e-05 -3.77710068e-05 1.06059133e-05 8.31344578e-18 1.49642024e-17 -4.33687296e-05] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.85174564e-02 -8.01858146e-13 -3.21861461e-13] [ 1.85174564e-02 -6.43651799e-13 -3.40394379e-13] [-1.13190707e-16 -1.37984593e-02 -4.16770351e-13] [ 2.14023244e-13 1.37984593e-02 -2.68535194e-13] [ 2.07850230e-13 -5.47023364e-14 -1.37984593e-02] [ 1.87960758e-13 -4.52776705e-13 1.37984593e-02] [-1.85174564e-02 -1.06423117e-13 -4.85221375e-13] [ 1.85174564e-02 -3.28808161e-14 -4.09576840e-13] [-3.00324002e-14 -1.37984593e-02 1.12628177e-13] [ 2.47673843e-13 1.37984593e-02 -9.28314555e-14] [ 3.73635584e-13 3.33717823e-14 -1.37984593e-02] [-1.48986726e-14 -2.78048873e-13 1.37984593e-02] [ 5.41729344e-03 -6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 -6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 -6.21227000e-03 6.21227000e-03] [-5.41729344e-03 6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 -6.21227000e-03 -6.21227000e-03] [ 5.41729344e-03 -6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 -6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 -6.21227000e-03 6.21227000e-03] [-5.41729344e-03 6.21227000e-03 6.21227000e-03] [ 5.41729344e-03 6.21227000e-03 -6.21227000e-03] [-5.41729344e-03 -6.21227000e-03 -6.21227000e-03] [-2.42195153e-13 -6.60999033e-13 -1.08121845e-12] [ 2.29518227e-13 -1.66820079e-13 -5.68891658e-14] [-5.00266495e-13 -1.39140121e-02 -1.39140121e-02] [-3.91438618e-13 1.39140121e-02 -1.39140121e-02] [-3.24566762e-13 -1.39140121e-02 1.39140121e-02] [ 2.98719383e-14 1.39140121e-02 1.39140121e-02] [-4.88703225e-04 -4.50639526e-13 -1.86047120e-03] [-4.88703224e-04 -9.47401879e-14 1.86047120e-03] [ 4.88703224e-04 3.44791903e-13 -1.86047120e-03] [ 4.88703223e-04 2.92529889e-13 1.86047120e-03] [-4.88703225e-04 -1.86047120e-03 -4.40092407e-13] [ 4.88703224e-04 -1.86047120e-03 -2.15169896e-13] [-4.88703225e-04 1.86047120e-03 2.81451945e-13] [ 4.88703224e-04 1.86047120e-03 2.99196432e-13] [-9.68522137e-14 -1.39140121e-02 -1.39140121e-02] [-1.67631534e-13 1.39140121e-02 -1.39140121e-02] [-1.29617671e-13 -1.39140121e-02 1.39140121e-02] [-2.23722950e-13 1.39140121e-02 1.39140121e-02] [-4.88703224e-04 4.87557760e-14 -1.86047120e-03] [-4.88703224e-04 -6.52715729e-14 1.86047120e-03] [ 4.88703223e-04 1.01915872e-13 -1.86047120e-03] [ 4.88703224e-04 2.36386865e-13 1.86047120e-03] [-4.88703223e-04 -1.86047120e-03 -1.13451513e-12] [ 4.88703223e-04 -1.86047120e-03 -1.23556166e-12] [-4.88703223e-04 1.86047120e-03 1.54154901e-13] [ 4.88703223e-04 1.86047120e-03 1.33679526e-13]] Final stress: [ 6.42985900e-04 -9.26997504e-05 -9.26997504e-05 1.28362662e-15 4.88842264e-16 -1.09075008e-15] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.81938982e-02 -6.15556217e-13 5.23591760e-12] [-4.81938982e-02 -6.15119067e-13 4.32487379e-12] [ 1.93488975e-12 -4.36894442e-02 1.25849071e-12] [ 2.38944975e-12 4.36894442e-02 1.72073467e-12] [ 1.19249055e-12 -5.79618818e-13 5.33437075e-04] [-1.33174027e-12 -1.47634682e-12 -5.33437071e-04] [ 4.81938981e-02 -9.21873255e-13 -6.14801265e-13] [-4.81938981e-02 -8.16140124e-13 -1.68400550e-12] [ 5.05080353e-13 -4.36894442e-02 -2.11024073e-13] [-3.44785832e-13 4.36894443e-02 -6.76300146e-13] [-9.37717785e-13 -1.37700833e-12 5.33437061e-04] [-3.17684247e-13 -1.70882917e-12 -5.33437072e-04] [ 5.65540615e-03 -5.17707885e-03 -5.96154849e-04] [-5.65540615e-03 5.17707885e-03 -5.96154852e-04] [-5.65540615e-03 -5.17707884e-03 5.96154850e-04] [ 5.65540615e-03 5.17707885e-03 5.96154851e-04] [ 5.65540615e-03 -5.17707885e-03 5.96154850e-04] [-5.65540615e-03 5.17707885e-03 5.96154847e-04] [ 5.65540615e-03 5.17707885e-03 -5.96154851e-04] [-5.65540615e-03 -5.17707884e-03 -5.96154851e-04] [ 5.65540615e-03 -5.17707884e-03 -5.96154855e-04] [-5.65540615e-03 5.17707885e-03 -5.96154855e-04] [-5.65540615e-03 -5.17707885e-03 5.96154849e-04] [ 5.65540615e-03 5.17707884e-03 5.96154847e-04] [ 5.65540615e-03 -5.17707885e-03 5.96154849e-04] [-5.65540615e-03 5.17707884e-03 5.96154847e-04] [ 5.65540615e-03 5.17707884e-03 -5.96154856e-04] [-5.65540615e-03 -5.17707885e-03 -5.96154855e-04] [ 2.97989411e-12 1.31700206e-13 3.30779848e-12] [ 2.03761487e-13 -2.74176529e-12 1.83095528e-12] [ 4.94937424e-13 1.21149289e-02 -5.44040982e-03] [-2.55177823e-14 -1.21149289e-02 -5.44040982e-03] [ 2.05493608e-12 1.21149289e-02 5.44040982e-03] [ 8.69287281e-13 -1.21149289e-02 5.44040982e-03] [-7.75989112e-03 -4.74875694e-12 1.07441199e-02] [-7.75989112e-03 -3.93036992e-12 -1.07441199e-02] [ 7.75989111e-03 -3.52613078e-12 1.07441199e-02] [ 7.75989112e-03 -4.45095696e-12 -1.07441199e-02] [-1.79073579e-02 1.78983580e-02 8.06232858e-12] [ 1.79073579e-02 1.78983580e-02 4.03481935e-12] [-1.79073579e-02 -1.78983580e-02 8.55111294e-12] [ 1.79073579e-02 -1.78983580e-02 4.44617954e-12] [ 9.88938965e-13 1.21149289e-02 -5.44040982e-03] [-3.36693650e-12 -1.21149289e-02 -5.44040981e-03] [ 3.64021747e-13 1.21149289e-02 5.44040981e-03] [-1.57010733e-12 -1.21149289e-02 5.44040981e-03] [-7.75989111e-03 -1.64146251e-12 1.07441199e-02] [-7.75989112e-03 -1.20016779e-12 -1.07441199e-02] [ 7.75989110e-03 -1.49757940e-12 1.07441199e-02] [ 7.75989112e-03 -2.03347755e-13 -1.07441199e-02] [-1.79073579e-02 1.78983580e-02 6.35931739e-13] [ 1.79073579e-02 1.78983580e-02 1.29303508e-12] [-1.79073579e-02 -1.78983580e-02 -1.96817236e-13] [ 1.79073579e-02 -1.78983580e-02 5.10435444e-13]] Final stress: [-4.64839602e-04 3.78409368e-04 -2.78101285e-05 4.17295176e-16 5.53123924e-15 1.18372177e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.36901440e-02 -8.81890047e-15 2.14495609e-12] [ 4.36901440e-02 3.80945275e-13 2.47257770e-12] [ 3.65836398e-12 4.81947471e-02 3.94710566e-12] [ 4.21304658e-12 -4.81947471e-02 3.42911810e-12] [ 3.78027123e-12 -1.97262606e-12 5.33443477e-04] [ 3.68233222e-12 -1.54753987e-12 -5.33443480e-04] [-4.36901440e-02 2.04876047e-13 -2.30296232e-12] [ 4.36901440e-02 1.31220512e-12 -2.25906255e-12] [ 4.08732076e-13 4.81947471e-02 6.20122091e-13] [-1.15344756e-12 -4.81947471e-02 -5.10661294e-14] [-9.35438792e-13 -9.76916508e-13 5.33443464e-04] [ 4.27129686e-13 -1.78619934e-12 -5.33443474e-04] [-5.17717580e-03 5.65552124e-03 -5.96174166e-04] [ 5.17717580e-03 -5.65552124e-03 -5.96174169e-04] [ 5.17717581e-03 5.65552124e-03 5.96174168e-04] [-5.17717580e-03 -5.65552124e-03 5.96174169e-04] [-5.17717580e-03 5.65552124e-03 5.96174166e-04] [ 5.17717581e-03 -5.65552124e-03 5.96174166e-04] [-5.17717580e-03 -5.65552124e-03 -5.96174170e-04] [ 5.17717581e-03 5.65552124e-03 -5.96174169e-04] [-5.17717581e-03 5.65552124e-03 -5.96174173e-04] [ 5.17717580e-03 -5.65552123e-03 -5.96174173e-04] [ 5.17717580e-03 5.65552124e-03 5.96174165e-04] [-5.17717581e-03 -5.65552124e-03 5.96174165e-04] [-5.17717581e-03 5.65552124e-03 5.96174165e-04] [ 5.17717580e-03 -5.65552124e-03 5.96174164e-04] [-5.17717581e-03 -5.65552124e-03 -5.96174174e-04] [ 5.17717580e-03 5.65552124e-03 -5.96174172e-04] [ 6.00183792e-12 -2.31126229e-12 8.81381079e-12] [ 1.54020329e-12 -1.80811847e-12 2.62251376e-12] [ 7.24198479e-13 -7.76028691e-03 1.07446230e-02] [ 1.57331960e-12 7.76028691e-03 1.07446230e-02] [ 2.89114913e-12 -7.76028691e-03 -1.07446230e-02] [ 1.76408020e-12 7.76028691e-03 -1.07446230e-02] [ 1.21154634e-02 -5.50559598e-12 -5.44069215e-03] [ 1.21154634e-02 -7.13232425e-12 5.44069216e-03] [-1.21154634e-02 -5.15403172e-12 -5.44069216e-03] [-1.21154634e-02 -6.06213517e-12 5.44069216e-03] [ 1.78992144e-02 -1.79082013e-02 3.75899312e-12] [-1.78992144e-02 -1.79082013e-02 2.59945364e-12] [ 1.78992144e-02 1.79082013e-02 7.43206018e-12] [-1.78992144e-02 1.79082013e-02 3.63671072e-12] [-1.39647582e-12 -7.76028691e-03 1.07446230e-02] [-2.80694305e-13 7.76028692e-03 1.07446230e-02] [ 1.08216387e-13 -7.76028691e-03 -1.07446230e-02] [ 3.29328578e-14 7.76028691e-03 -1.07446230e-02] [ 1.21154634e-02 -4.92589157e-13 -5.44069216e-03] [ 1.21154634e-02 -2.25803100e-13 5.44069216e-03] [-1.21154634e-02 -6.87605875e-12 -5.44069216e-03] [-1.21154634e-02 -9.49712097e-13 5.44069215e-03] [ 1.78992144e-02 -1.79082013e-02 1.79620257e-12] [-1.78992144e-02 -1.79082013e-02 7.81586415e-13] [ 1.78992144e-02 1.79082013e-02 2.71014521e-13] [-1.78992144e-02 1.79082013e-02 -3.99544980e-13]] Final stress: [ 3.78413397e-04 -4.64846836e-04 -2.78112184e-05 1.39818822e-15 -1.23193516e-15 1.01746872e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.51208792e-03 1.44393178e-13 -2.20895351e-14] [ 5.51208792e-03 3.79141163e-14 -3.82471832e-14] [-4.01198172e-13 -5.51208792e-03 -2.95458102e-14] [ 1.95982119e-13 5.51208792e-03 2.06473727e-13] [-1.08173019e-13 3.82437138e-14 -2.28213486e-03] [-1.04860565e-13 5.59274849e-14 2.28213486e-03] [-5.51208792e-03 2.15923633e-13 -1.05841025e-14] [ 5.51208792e-03 2.13701886e-13 -1.42464039e-13] [-4.94769156e-14 -5.51208792e-03 7.38267196e-14] [ 1.03472352e-13 5.51208792e-03 -3.75954688e-13] [ 1.98929415e-14 5.68145338e-14 -2.28213486e-03] [ 1.02591113e-13 2.24523083e-13 2.28213486e-03] [-2.67577857e-04 -2.67577857e-04 -2.00981990e-03] [ 2.67577857e-04 2.67577858e-04 -2.00981990e-03] [ 2.67577858e-04 -2.67577857e-04 2.00981990e-03] [-2.67577858e-04 2.67577858e-04 2.00981990e-03] [-2.67577858e-04 -2.67577857e-04 2.00981990e-03] [ 2.67577858e-04 2.67577858e-04 2.00981990e-03] [-2.67577857e-04 2.67577858e-04 -2.00981990e-03] [ 2.67577857e-04 -2.67577857e-04 -2.00981990e-03] [-2.67577857e-04 -2.67577858e-04 -2.00981990e-03] [ 2.67577858e-04 2.67577858e-04 -2.00981990e-03] [ 2.67577857e-04 -2.67577857e-04 2.00981990e-03] [-2.67577857e-04 2.67577858e-04 2.00981990e-03] [-2.67577858e-04 -2.67577857e-04 2.00981990e-03] [ 2.67577857e-04 2.67577858e-04 2.00981990e-03] [-2.67577857e-04 2.67577858e-04 -2.00981990e-03] [ 2.67577858e-04 -2.67577858e-04 -2.00981990e-03] [-6.37268016e-14 -2.09138262e-13 9.74609282e-13] [ 4.85860484e-13 -1.76715676e-12 -2.76532604e-13] [-1.17017507e-13 -1.53309053e-03 -6.89754794e-04] [-9.40896666e-13 1.53309053e-03 -6.89754795e-04] [-5.53532914e-13 -1.53309054e-03 6.89754792e-04] [ 3.33039152e-13 1.53309054e-03 6.89754792e-04] [-1.53309053e-03 -1.48192569e-12 -6.89754794e-04] [-1.53309054e-03 -1.22497498e-12 6.89754793e-04] [ 1.53309053e-03 -2.09633526e-12 -6.89754795e-04] [ 1.53309054e-03 -8.85222451e-13 6.89754793e-04] [ 3.62356016e-04 3.62356019e-04 5.16364729e-13] [-3.62356017e-04 3.62356018e-04 2.81615009e-14] [ 3.62356019e-04 -3.62356017e-04 -4.77199877e-13] [-3.62356017e-04 -3.62356019e-04 -7.21811499e-13] [-4.73946837e-13 -1.53309053e-03 -6.89754794e-04] [ 1.63044491e-13 1.53309053e-03 -6.89754794e-04] [-2.20887544e-13 -1.53309053e-03 6.89754795e-04] [-5.13152888e-14 1.53309053e-03 6.89754793e-04] [-1.53309054e-03 -4.26384667e-13 -6.89754792e-04] [-1.53309053e-03 1.84969878e-13 6.89754794e-04] [ 1.53309054e-03 -8.98111446e-13 -6.89754793e-04] [ 1.53309053e-03 -1.47882054e-12 6.89754794e-04] [ 3.62356017e-04 3.62356018e-04 1.39006835e-12] [-3.62356016e-04 3.62356018e-04 2.19313754e-12] [ 3.62356020e-04 -3.62356016e-04 1.62638211e-12] [-3.62356018e-04 -3.62356018e-04 9.00293728e-13]] Final stress: [ 5.40728709e-05 5.40728709e-05 -1.08804900e-04 4.52262229e-16 -5.98582362e-17 -6.75067886e-16] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.81876706e-02 -1.80473345e-12 2.29917821e-12] [-4.81876706e-02 -1.38514200e-12 1.53460578e-13] [ 2.06477457e-12 5.33390096e-04 2.78856799e-13] [ 2.23124297e-12 -5.33390094e-04 1.38580813e-12] [ 3.00195632e-12 -3.36319080e-12 -4.36843112e-02] [ 2.43888243e-12 -2.77725065e-12 4.36843112e-02] [ 4.81876706e-02 -3.08449013e-13 -6.83813184e-14] [-4.81876706e-02 -6.34900119e-13 -3.36991514e-13] [ 3.27331912e-13 5.33390093e-04 -1.33622863e-12] [-8.78529888e-13 -5.33390097e-04 -1.18604315e-12] [-8.80559514e-13 -7.28763032e-13 -4.36843112e-02] [-7.22191404e-14 -2.13541143e-12 4.36843112e-02] [ 5.65456189e-03 -5.96013145e-04 -5.17636757e-03] [-5.65456189e-03 5.96013148e-04 -5.17636757e-03] [-5.65456189e-03 -5.96013145e-04 5.17636757e-03] [ 5.65456189e-03 5.96013143e-04 5.17636757e-03] [ 5.65456189e-03 -5.96013145e-04 5.17636757e-03] [-5.65456189e-03 5.96013147e-04 5.17636757e-03] [ 5.65456189e-03 5.96013144e-04 -5.17636757e-03] [-5.65456189e-03 -5.96013145e-04 -5.17636757e-03] [ 5.65456189e-03 -5.96013143e-04 -5.17636757e-03] [-5.65456189e-03 5.96013145e-04 -5.17636757e-03] [-5.65456189e-03 -5.96013141e-04 5.17636757e-03] [ 5.65456189e-03 5.96013145e-04 5.17636757e-03] [ 5.65456189e-03 -5.96013143e-04 5.17636757e-03] [-5.65456189e-03 5.96013145e-04 5.17636757e-03] [ 5.65456189e-03 5.96013144e-04 -5.17636757e-03] [-5.65456189e-03 -5.96013141e-04 -5.17636757e-03] [ 6.19398977e-12 -5.59063906e-12 3.17110227e-12] [-6.39863206e-12 1.30871306e-12 9.97647050e-13] [-6.81010803e-13 -5.43833854e-03 1.21110079e-02] [-9.06660164e-13 5.43833853e-03 1.21110079e-02] [ 9.36778433e-13 -5.43833854e-03 -1.21110079e-02] [ 1.28000041e-12 5.43833854e-03 -1.21110079e-02] [-1.79011707e-02 -4.80770979e-12 1.78920750e-02] [-1.79011707e-02 -4.13315215e-12 -1.78920750e-02] [ 1.79011707e-02 -3.02555030e-12 1.78920750e-02] [ 1.79011708e-02 -4.31248960e-12 -1.78920750e-02] [-7.75698752e-03 1.07404290e-02 3.33710837e-12] [ 7.75698752e-03 1.07404290e-02 3.37261295e-12] [-7.75698753e-03 -1.07404290e-02 4.70123593e-12] [ 7.75698752e-03 -1.07404290e-02 2.55528064e-12] [-3.37326955e-12 -5.43833853e-03 1.21110079e-02] [-3.73033939e-12 5.43833854e-03 1.21110079e-02] [ 8.78933645e-13 -5.43833853e-03 -1.21110079e-02] [ 1.29117854e-12 5.43833854e-03 -1.21110079e-02] [-1.79011708e-02 -5.28014795e-13 1.78920750e-02] [-1.79011707e-02 6.54324251e-13 -1.78920750e-02] [ 1.79011708e-02 -7.25472633e-13 1.78920750e-02] [ 1.79011708e-02 3.27821104e-13 -1.78920750e-02] [-7.75698752e-03 1.07404290e-02 1.40706321e-12] [ 7.75698752e-03 1.07404290e-02 1.15504556e-12] [-7.75698752e-03 -1.07404289e-02 -1.04696276e-12] [ 7.75698751e-03 -1.07404289e-02 -2.76903934e-13]] Final stress: [-4.64786528e-04 -2.78021333e-05 3.78379813e-04 -9.99180879e-16 9.06079167e-16 4.01833641e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.36887445e-02 -2.45538225e-12 2.35972483e-12] [ 4.36887445e-02 -1.24644739e-12 3.56012442e-12] [ 2.47064175e-12 5.33430670e-04 8.10105455e-13] [ 2.43385867e-12 -5.33430668e-04 9.74442749e-13] [ 2.43980227e-12 -1.62282167e-12 4.81930492e-02] [ 2.29985475e-12 -1.28780320e-12 -4.81930492e-02] [-4.36887445e-02 -1.11389543e-12 5.92858405e-14] [ 4.36887445e-02 -9.78440419e-13 4.98257934e-14] [-7.42801654e-13 5.33430665e-04 -4.08955395e-13] [-1.22811570e-12 -5.33430669e-04 -8.25090417e-13] [-9.40848961e-14 -9.87311962e-13 4.81930492e-02] [ 1.17042660e-13 -1.16968733e-12 -4.81930492e-02] [-5.17698188e-03 -5.96135529e-04 5.65529105e-03] [ 5.17698188e-03 5.96135531e-04 5.65529105e-03] [ 5.17698188e-03 -5.96135530e-04 -5.65529106e-03] [-5.17698188e-03 5.96135533e-04 -5.65529106e-03] [-5.17698188e-03 -5.96135530e-04 -5.65529105e-03] [ 5.17698188e-03 5.96135533e-04 -5.65529106e-03] [-5.17698188e-03 5.96135532e-04 5.65529106e-03] [ 5.17698188e-03 -5.96135529e-04 5.65529105e-03] [-5.17698188e-03 -5.96135526e-04 5.65529105e-03] [ 5.17698188e-03 5.96135530e-04 5.65529105e-03] [ 5.17698188e-03 -5.96135525e-04 -5.65529106e-03] [-5.17698188e-03 5.96135530e-04 -5.65529105e-03] [-5.17698188e-03 -5.96135526e-04 -5.65529105e-03] [ 5.17698188e-03 5.96135531e-04 -5.65529106e-03] [-5.17698188e-03 5.96135529e-04 5.65529105e-03] [ 5.17698188e-03 -5.96135526e-04 5.65529105e-03] [ 5.08473819e-12 -5.35235745e-12 6.52317089e-12] [-6.59481150e-14 -5.60179221e-13 4.38214136e-13] [ 6.75848266e-12 1.07436167e-02 -7.75949530e-03] [ 2.56129493e-12 -1.07436167e-02 -7.75949530e-03] [ 7.31216303e-12 1.07436167e-02 7.75949530e-03] [ 2.63160327e-12 -1.07436167e-02 7.75949529e-03] [ 1.78975014e-02 -5.18096677e-12 -1.79065144e-02] [ 1.78975014e-02 -3.63053858e-12 1.79065145e-02] [-1.78975014e-02 -1.10407516e-12 -1.79065145e-02] [-1.78975014e-02 -2.35055031e-14 1.79065144e-02] [ 1.21143944e-02 -5.44012746e-03 4.26825242e-12] [-1.21143944e-02 -5.44012746e-03 3.09199367e-12] [ 1.21143944e-02 5.44012746e-03 3.28792722e-12] [-1.21143944e-02 5.44012746e-03 8.25430002e-13] [-1.98085125e-12 1.07436167e-02 -7.75949529e-03] [-2.77494607e-13 -1.07436167e-02 -7.75949529e-03] [-2.77656804e-13 1.07436167e-02 7.75949529e-03] [ 1.18408235e-12 -1.07436167e-02 7.75949528e-03] [ 1.78975014e-02 -1.44270308e-12 -1.79065145e-02] [ 1.78975014e-02 -1.72491058e-12 1.79065145e-02] [-1.78975014e-02 -3.39780027e-12 -1.79065145e-02] [-1.78975014e-02 -2.84535980e-12 1.79065145e-02] [ 1.21143944e-02 -5.44012746e-03 3.08528784e-12] [-1.21143944e-02 -5.44012746e-03 1.95976109e-13] [ 1.21143944e-02 5.44012745e-03 2.28687888e-12] [-1.21143944e-02 5.44012747e-03 3.31502620e-13]] Final stress: [ 3.78405339e-04 -2.78090385e-05 -4.64832366e-04 1.24523541e-15 -1.36992520e-15 -1.03243149e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.56191318e-03 2.72516384e-14 -3.22417874e-13] [ 5.56191318e-03 -5.69266856e-14 -3.61627395e-13] [-1.79631483e-13 -2.40737711e-03 -4.81745720e-14] [ 1.27037270e-13 2.40737711e-03 -2.99177350e-13] [-1.74730022e-13 -2.30674854e-14 -5.56191319e-03] [ 2.05391260e-14 7.81597009e-14 5.56191318e-03] [-5.56191318e-03 2.27036272e-13 -2.33080047e-14] [ 5.56191318e-03 1.65729843e-13 9.63524808e-14] [ 1.49658064e-13 -2.40737711e-03 1.01450876e-14] [-4.26741975e-15 2.40737711e-03 -1.39682903e-13] [-3.53423020e-13 5.68454201e-14 -5.56191318e-03] [-6.76455419e-14 -2.39922992e-13 5.56191318e-03] [-2.42294013e-04 -1.97465806e-03 -2.42294013e-04] [ 2.42294012e-04 1.97465806e-03 -2.42294013e-04] [ 2.42294013e-04 -1.97465806e-03 2.42294013e-04] [-2.42294013e-04 1.97465806e-03 2.42294012e-04] [-2.42294013e-04 -1.97465806e-03 2.42294013e-04] [ 2.42294013e-04 1.97465806e-03 2.42294013e-04] [-2.42294013e-04 1.97465806e-03 -2.42294013e-04] [ 2.42294013e-04 -1.97465806e-03 -2.42294013e-04] [-2.42294013e-04 -1.97465806e-03 -2.42294013e-04] [ 2.42294013e-04 1.97465806e-03 -2.42294013e-04] [ 2.42294013e-04 -1.97465806e-03 2.42294013e-04] [-2.42294013e-04 1.97465806e-03 2.42294013e-04] [-2.42294013e-04 -1.97465806e-03 2.42294013e-04] [ 2.42294013e-04 1.97465806e-03 2.42294013e-04] [-2.42294013e-04 1.97465806e-03 -2.42294013e-04] [ 2.42294013e-04 -1.97465806e-03 -2.42294013e-04] [ 3.66651154e-14 -4.55385729e-13 4.48446835e-13] [-7.24656446e-13 5.51312163e-13 2.90803000e-13] [ 2.66453526e-14 -7.06583470e-04 -1.39756905e-03] [ 2.55906407e-13 7.06583470e-04 -1.39756905e-03] [-7.32924138e-13 -7.06583472e-04 1.39756905e-03] [-2.04130116e-13 7.06583472e-04 1.39756905e-03] [ 4.12453680e-04 3.13082893e-14 4.12453681e-04] [ 4.12453679e-04 -1.65435374e-13 -4.12453681e-04] [-4.12453681e-04 -6.08020578e-14 4.12453680e-04] [-4.12453679e-04 1.84087121e-13 -4.12453682e-04] [-1.39756905e-03 -7.06583472e-04 9.67004254e-14] [ 1.39756905e-03 -7.06583473e-04 1.46584134e-13] [-1.39756905e-03 7.06583473e-04 1.01378801e-12] [ 1.39756905e-03 7.06583474e-04 3.80560167e-13] [ 2.97280863e-13 -7.06583472e-04 -1.39756905e-03] [ 5.48890794e-13 7.06583472e-04 -1.39756905e-03] [ 3.79576579e-13 -7.06583473e-04 1.39756905e-03] [ 6.00131923e-13 7.06583472e-04 1.39756905e-03] [ 4.12453682e-04 -5.98984828e-13 4.12453680e-04] [ 4.12453682e-04 -2.00141119e-13 -4.12453679e-04] [-4.12453682e-04 -1.02793555e-12 4.12453680e-04] [-4.12453682e-04 -1.22250300e-13 -4.12453680e-04] [-1.39756905e-03 -7.06583471e-04 1.58249013e-12] [ 1.39756905e-03 -7.06583471e-04 1.04544053e-12] [-1.39756905e-03 7.06583471e-04 1.89463564e-12] [ 1.39756905e-03 7.06583471e-04 6.24161313e-13]] Final stress: [ 5.19730002e-05 -1.09084680e-04 5.19730002e-05 4.93830448e-16 -2.97628452e-16 -2.87652079e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.03832324e-04 -1.45716772e-15 2.23267585e-14] [-5.03832324e-04 1.05193632e-14 -1.33226763e-15] [ 1.86890434e-14 2.08392816e-05 -1.24347204e-04] [ 1.88182803e-14 -2.08392816e-05 1.24347204e-04] [ 2.40077055e-14 -1.24347204e-04 2.08392816e-05] [ 2.43693954e-14 1.24347204e-04 -2.08392817e-05] [ 5.03832324e-04 1.39189875e-14 -2.13604737e-14] [-5.03832324e-04 -7.05381933e-15 -1.32734227e-14] [-5.87225581e-14 2.08392816e-05 -1.24347204e-04] [-3.49980461e-15 -2.08392816e-05 1.24347204e-04] [-3.35968232e-14 -1.24347204e-04 2.08392816e-05] [-1.81816368e-14 1.24347204e-04 -2.08392816e-05] [ 2.03413780e-04 1.70517484e-04 1.70517484e-04] [ 3.85166870e-04 -1.51502330e-04 1.51502330e-04] [ 3.85166870e-04 1.51502330e-04 -1.51502330e-04] [ 2.03413780e-04 -1.70517484e-04 -1.70517484e-04] [-3.85166870e-04 1.51502330e-04 -1.51502330e-04] [-2.03413780e-04 -1.70517484e-04 -1.70517484e-04] [-3.85166870e-04 -1.51502330e-04 1.51502330e-04] [-2.03413780e-04 1.70517484e-04 1.70517484e-04] [ 2.03413780e-04 1.70517484e-04 1.70517484e-04] [ 3.85166870e-04 -1.51502330e-04 1.51502330e-04] [ 3.85166870e-04 1.51502330e-04 -1.51502330e-04] [ 2.03413780e-04 -1.70517484e-04 -1.70517484e-04] [-3.85166870e-04 1.51502330e-04 -1.51502330e-04] [-2.03413780e-04 -1.70517484e-04 -1.70517484e-04] [-3.85166870e-04 -1.51502330e-04 1.51502330e-04] [-2.03413780e-04 1.70517484e-04 1.70517484e-04] [ 1.05027098e-13 -2.95041769e-14 3.83582055e-14] [-4.24573571e-15 -2.87315885e-14 9.47725361e-15] [ 7.24975635e-14 6.42847776e-04 6.42847777e-04] [ 5.18890486e-14 1.17073506e-04 -1.17073505e-04] [ 6.19296281e-15 -1.17073506e-04 1.17073505e-04] [ 4.73180523e-14 -6.42847776e-04 -6.42847777e-04] [ 3.48200696e-05 3.17928756e-04 4.35972508e-05] [ 3.48200696e-05 -3.17928756e-04 -4.35972507e-05] [-3.48200696e-05 3.17928756e-04 4.35972507e-05] [-3.48200696e-05 -3.17928756e-04 -4.35972507e-05] [ 3.48200688e-05 4.35972516e-05 3.17928756e-04] [-3.48200688e-05 4.35972515e-05 3.17928756e-04] [ 3.48200691e-05 -4.35972514e-05 -3.17928756e-04] [-3.48200689e-05 -4.35972515e-05 -3.17928756e-04] [-4.88836402e-14 6.42847777e-04 6.42847776e-04] [ 5.44759550e-14 1.17073505e-04 -1.17073506e-04] [ 9.32027892e-14 -1.17073505e-04 1.17073506e-04] [ 2.20162430e-14 -6.42847777e-04 -6.42847776e-04] [ 3.48200689e-05 3.17928756e-04 4.35972515e-05] [ 3.48200687e-05 -3.17928756e-04 -4.35972516e-05] [-3.48200689e-05 3.17928756e-04 4.35972515e-05] [-3.48200688e-05 -3.17928756e-04 -4.35972516e-05] [ 3.48200696e-05 4.35972507e-05 3.17928756e-04] [-3.48200696e-05 4.35972507e-05 3.17928756e-04] [ 3.48200697e-05 -4.35972506e-05 -3.17928756e-04] [-3.48200697e-05 -4.35972507e-05 -3.17928756e-04]] Final stress: [-1.11636055e-05 2.34505082e-05 2.34505082e-05 2.63730175e-05 1.99491779e-17 -3.32486299e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.04328642e-04 2.17668765e-14 1.91166527e-15] [-5.04328643e-04 1.67088565e-14 -1.20459198e-14] [ 2.97743601e-14 2.25747953e-05 2.12595266e-04] [ 2.69229083e-14 -2.25747952e-05 -2.12595266e-04] [ 5.51858906e-15 2.12595266e-04 2.25747952e-05] [ 2.58126853e-14 -2.12595266e-04 -2.25747954e-05] [ 5.04328643e-04 -4.24356730e-15 -2.36729095e-14] [-5.04328642e-04 -1.11317205e-14 -1.64843873e-14] [-2.58937836e-14 2.25747954e-05 2.12595266e-04] [ 9.64506253e-16 -2.25747953e-05 -2.12595266e-04] [-2.12373522e-15 2.12595266e-04 2.25747953e-05] [-1.74404761e-14 -2.12595266e-04 -2.25747953e-05] [-3.36909675e-04 1.23092968e-04 1.23092968e-04] [-1.53617612e-04 -2.01361205e-04 2.01361205e-04] [-1.53617612e-04 2.01361205e-04 -2.01361205e-04] [-3.36909675e-04 -1.23092968e-04 -1.23092968e-04] [ 1.53617612e-04 2.01361205e-04 -2.01361205e-04] [ 3.36909675e-04 -1.23092968e-04 -1.23092968e-04] [ 1.53617612e-04 -2.01361205e-04 2.01361205e-04] [ 3.36909675e-04 1.23092968e-04 1.23092968e-04] [-3.36909675e-04 1.23092968e-04 1.23092968e-04] [-1.53617612e-04 -2.01361205e-04 2.01361205e-04] [-1.53617612e-04 2.01361205e-04 -2.01361205e-04] [-3.36909675e-04 -1.23092968e-04 -1.23092968e-04] [ 1.53617612e-04 2.01361205e-04 -2.01361205e-04] [ 3.36909675e-04 -1.23092968e-04 -1.23092968e-04] [ 1.53617612e-04 -2.01361205e-04 2.01361205e-04] [ 3.36909675e-04 1.23092968e-04 1.23092968e-04] [ 2.28178587e-13 -8.14626144e-14 2.59015032e-13] [-1.71187283e-13 -1.16635470e-13 -6.29035767e-14] [-7.91589017e-14 -1.27823060e-04 -1.27823060e-04] [-1.04010550e-13 -6.60423892e-04 6.60423892e-04] [-4.42736126e-14 6.60423892e-04 -6.60423892e-04] [ 1.08940634e-15 1.27823060e-04 1.27823060e-04] [ 1.29232747e-04 -2.86976321e-04 -3.42609759e-05] [ 1.29232747e-04 2.86976321e-04 3.42609758e-05] [-1.29232747e-04 -2.86976321e-04 -3.42609760e-05] [-1.29232747e-04 2.86976321e-04 3.42609760e-05] [ 1.29232747e-04 -3.42609762e-05 -2.86976321e-04] [-1.29232747e-04 -3.42609765e-05 -2.86976321e-04] [ 1.29232747e-04 3.42609763e-05 2.86976321e-04] [-1.29232747e-04 3.42609764e-05 2.86976321e-04] [ 1.04089914e-13 -1.27823060e-04 -1.27823060e-04] [ 1.26203735e-13 -6.60423892e-04 6.60423892e-04] [ 8.53987020e-14 6.60423892e-04 -6.60423892e-04] [ 1.10958985e-13 1.27823060e-04 1.27823060e-04] [ 1.29232747e-04 -2.86976321e-04 -3.42609763e-05] [ 1.29232747e-04 2.86976321e-04 3.42609763e-05] [-1.29232747e-04 -2.86976321e-04 -3.42609763e-05] [-1.29232747e-04 2.86976321e-04 3.42609760e-05] [ 1.29232747e-04 -3.42609760e-05 -2.86976321e-04] [-1.29232747e-04 -3.42609760e-05 -2.86976321e-04] [ 1.29232747e-04 3.42609760e-05 2.86976321e-04] [-1.29232747e-04 3.42609759e-05 2.86976321e-04]] Final stress: [-1.15750334e-05 2.34133786e-05 2.34133786e-05 -2.54380206e-05 -1.16370204e-17 -3.82359243e-17] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 48 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.09505080e-02 -2.38209312e-10 1.63107105e-02] [ 7.09505088e-02 2.70339862e-10 -1.63107158e-02] [ 3.07864544e-09 5.87445605e-02 1.40878047e-10] [-5.03781700e-09 -5.87445520e-02 1.84344220e-09] [-3.10197710e-02 -1.71172625e-09 1.30979633e-02] [ 3.10197757e-02 -2.03220940e-10 -1.30979636e-02] [-7.09505008e-02 3.24328957e-09 1.63107002e-02] [ 7.09505103e-02 -4.43880931e-09 -1.63107016e-02] [-5.52373165e-09 5.87445523e-02 6.34473002e-10] [ 6.73422191e-09 -5.87445519e-02 -4.86339577e-09] [-3.10197587e-02 1.11874326e-10 1.30979673e-02] [ 3.10197574e-02 -1.92781427e-09 -1.30979681e-02] [-1.47765086e-02 -1.24704631e-01 -1.60703166e-01] [-6.79821458e-02 -1.21432036e-01 -1.17038364e-01] [ 1.47765147e-02 -1.24704630e-01 1.60703163e-01] [ 6.79821454e-02 -1.21432038e-01 1.17038361e-01] [ 6.79821430e-02 1.21432042e-01 1.17038368e-01] [ 1.47765124e-02 1.24704627e-01 1.60703165e-01] [-1.47765126e-02 1.24704630e-01 -1.60703157e-01] [-6.79821525e-02 1.21432029e-01 -1.17038362e-01] [-1.47765129e-02 -1.24704628e-01 -1.60703155e-01] [-6.79821515e-02 -1.21432034e-01 -1.17038366e-01] [ 1.47765217e-02 -1.24704621e-01 1.60703151e-01] [ 6.79821453e-02 -1.21432041e-01 1.17038369e-01] [ 6.79821523e-02 1.21432034e-01 1.17038369e-01] [ 1.47765262e-02 1.24704625e-01 1.60703146e-01] [-1.47765160e-02 1.24704626e-01 -1.60703154e-01] [-6.79821522e-02 1.21432039e-01 -1.17038369e-01] [-1.25043206e-09 -5.54264784e-09 -1.67132391e-09] [-2.81308836e-09 5.92664023e-09 -1.01054194e-09] [ 1.14303567e-01 -1.43085814e-02 -4.02448244e-02] [ 1.14303580e-01 1.43085791e-02 -4.02448338e-02] [-1.14303597e-01 -1.43086150e-02 4.02448055e-02] [-1.14303580e-01 1.43086140e-02 4.02448197e-02] [-9.88617559e-02 4.51555460e-09 -1.96927925e-01] [-1.98967777e-01 5.27816576e-09 1.02763238e-01] [ 1.98967767e-01 -6.57593027e-09 -1.02763255e-01] [ 9.88617213e-02 -4.36300588e-09 1.96927960e-01] [-3.23053158e-02 -2.00157128e-02 3.81016418e-02] [ 3.23053325e-02 -2.00156913e-02 -3.81016433e-02] [-3.23053247e-02 2.00157044e-02 3.81016418e-02] [ 3.23053209e-02 2.00156960e-02 -3.81016404e-02] [ 1.14303548e-01 -1.43084570e-02 -4.02449419e-02] [ 1.14303546e-01 1.43084603e-02 -4.02449519e-02] [-1.14303538e-01 -1.43084814e-02 4.02449385e-02] [-1.14303543e-01 1.43084822e-02 4.02449419e-02] [-9.88618214e-02 -5.75398753e-09 -1.96927860e-01] [-1.98967878e-01 -7.70184290e-09 1.02763127e-01] [ 1.98967893e-01 7.71564784e-09 -1.02763124e-01] [ 9.88617928e-02 6.67136606e-09 1.96927887e-01] [-3.23052260e-02 -2.00158066e-02 3.81016796e-02] [ 3.23052342e-02 -2.00157852e-02 -3.81016703e-02] [-3.23052045e-02 2.00158194e-02 3.81016771e-02] [ 3.23052412e-02 2.00157784e-02 -3.81016744e-02]] Final stress: [-7.11459116e-04 -2.11566248e-03 -2.75955947e-03 1.79796109e-12 -1.19002569e-03 -2.64151787e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.09511497e-02 -3.38058741e-09 -1.63126735e-02] [ 7.09511510e-02 1.28225838e-09 1.63126699e-02] [-3.97975263e-10 5.87545441e-02 -5.70034024e-10] [ 3.10155307e-09 -5.87545384e-02 -1.64544217e-09] [ 3.10143105e-02 -2.16891694e-09 1.30855860e-02] [-3.10143066e-02 -8.85920698e-10 -1.30855871e-02] [-7.09511492e-02 -1.80507132e-09 -1.63126626e-02] [ 7.09511523e-02 1.10560841e-09 1.63126669e-02] [ 2.94095405e-09 5.87545422e-02 -2.07662264e-09] [ 1.31782363e-09 -5.87545411e-02 1.01288082e-09] [ 3.10143089e-02 -2.21548900e-09 1.30855745e-02] [-3.10143096e-02 -9.38614465e-12 -1.30855790e-02] [ 6.79759193e-02 1.21431300e-01 -1.17045232e-01] [ 1.47780036e-02 1.24704610e-01 -1.60709364e-01] [-6.79759165e-02 1.21431301e-01 1.17045230e-01] [-1.47780088e-02 1.24704603e-01 1.60709363e-01] [-1.47780046e-02 -1.24704607e-01 1.60709361e-01] [-6.79759185e-02 -1.21431302e-01 1.17045227e-01] [ 6.79759211e-02 -1.21431299e-01 -1.17045232e-01] [ 1.47780075e-02 -1.24704608e-01 -1.60709366e-01] [ 6.79759245e-02 1.21431293e-01 -1.17045226e-01] [ 1.47780097e-02 1.24704606e-01 -1.60709353e-01] [-6.79759224e-02 1.21431291e-01 1.17045231e-01] [-1.47780158e-02 1.24704608e-01 1.60709355e-01] [-1.47780085e-02 -1.24704606e-01 1.60709359e-01] [-6.79759180e-02 -1.21431296e-01 1.17045231e-01] [ 6.79759236e-02 -1.21431296e-01 -1.17045226e-01] [ 1.47780067e-02 -1.24704611e-01 -1.60709352e-01] [-3.15902896e-09 -1.11595405e-09 -4.18032947e-09] [-2.36926948e-09 2.43110977e-10 2.44531490e-09] [-1.14309199e-01 -1.43174246e-02 -4.02576025e-02] [-1.14309203e-01 1.43174274e-02 -4.02576070e-02] [ 1.14309204e-01 -1.43174068e-02 4.02576128e-02] [ 1.14309200e-01 1.43174122e-02 4.02576160e-02] [-1.98973351e-01 4.74400164e-09 -1.02764545e-01] [-9.88600389e-02 2.65672298e-09 1.96936772e-01] [ 9.88600358e-02 4.46239207e-09 -1.96936779e-01] [ 1.98973351e-01 3.44835311e-09 1.02764534e-01] [-3.23016637e-02 -2.00134550e-02 -3.80934661e-02] [ 3.23016599e-02 -2.00134504e-02 3.80934655e-02] [-3.23016589e-02 2.00134569e-02 -3.80934626e-02] [ 3.23016571e-02 2.00134601e-02 3.80934684e-02] [-1.14309183e-01 -1.43174727e-02 -4.02575496e-02] [-1.14309188e-01 1.43174683e-02 -4.02575591e-02] [ 1.14309187e-01 -1.43174691e-02 4.02575574e-02] [ 1.14309184e-01 1.43174659e-02 4.02575710e-02] [-1.98973316e-01 -3.68765595e-09 -1.02764566e-01] [-9.88599919e-02 2.42594920e-09 1.96936816e-01] [ 9.88599851e-02 -4.22481527e-09 -1.96936825e-01] [ 1.98973326e-01 -3.57764403e-09 1.02764556e-01] [-3.23017008e-02 -2.00134250e-02 -3.80934804e-02] [ 3.23016986e-02 -2.00134219e-02 3.80934803e-02] [-3.23017075e-02 2.00134211e-02 -3.80934794e-02] [ 3.23017019e-02 2.00134208e-02 3.80934767e-02]] Final stress: [-7.11374950e-04 -2.11562330e-03 -2.75957346e-03 -6.75696859e-12 1.18998771e-03 -2.27751337e-12] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.09226721e-02 1.63140217e-02 -2.06741171e-09] [ 7.09226609e-02 -1.63140208e-02 3.57097130e-10] [-3.09985253e-02 1.30600360e-02 -4.37022238e-10] [ 3.09985215e-02 -1.30600418e-02 2.14649964e-10] [ 1.23639726e-09 7.59215947e-10 5.87462311e-02] [-1.26921307e-10 -2.00308181e-09 -5.87462273e-02] [-7.09226631e-02 1.63140194e-02 1.99652282e-09] [ 7.09226541e-02 -1.63140193e-02 -2.53797082e-09] [-3.09985189e-02 1.30600359e-02 2.46170855e-09] [ 3.09985164e-02 -1.30600390e-02 -6.26979992e-10] [-5.62780665e-09 -1.02696699e-09 5.87462199e-02] [-1.04899662e-09 8.64345353e-10 -5.87462206e-02] [-1.47978942e-02 -1.60712956e-01 -1.24676161e-01] [ 1.47978938e-02 1.60712960e-01 -1.24676157e-01] [-6.79530837e-02 -1.17050102e-01 -1.21416062e-01] [ 6.79530846e-02 1.17050100e-01 -1.21416060e-01] [-1.47978941e-02 -1.60712951e-01 1.24676160e-01] [ 1.47978966e-02 1.60712959e-01 1.24676155e-01] [ 6.79530840e-02 1.17050102e-01 1.21416062e-01] [-6.79530836e-02 -1.17050103e-01 1.21416061e-01] [-1.47978992e-02 -1.60712946e-01 -1.24676162e-01] [ 1.47978994e-02 1.60712949e-01 -1.24676153e-01] [-6.79530800e-02 -1.17050106e-01 -1.21416067e-01] [ 6.79530742e-02 1.17050103e-01 -1.21416067e-01] [-1.47979017e-02 -1.60712947e-01 1.24676162e-01] [ 1.47978970e-02 1.60712949e-01 1.24676159e-01] [ 6.79530794e-02 1.17050102e-01 1.21416066e-01] [-6.79530823e-02 -1.17050102e-01 1.21416065e-01] [ 1.19104521e-08 6.20050478e-09 -2.93651550e-09] [ 1.73607996e-09 -3.29348009e-09 1.83004353e-09] [ 1.14298276e-01 -4.03091317e-02 -1.43544794e-02] [-1.14298280e-01 4.03091433e-02 -1.43544693e-02] [ 1.14298284e-01 -4.03091375e-02 1.43544750e-02] [-1.14298273e-01 4.03091473e-02 1.43544658e-02] [-3.22850723e-02 3.80599316e-02 -2.00055651e-02] [-3.22850677e-02 3.80599357e-02 2.00055611e-02] [ 3.22850750e-02 -3.80599368e-02 -2.00055745e-02] [ 3.22850696e-02 -3.80599294e-02 2.00055776e-02] [-9.88212224e-02 -1.96944432e-01 5.18809784e-09] [ 1.98970403e-01 -1.02762309e-01 -8.70260634e-11] [-1.98970398e-01 1.02762308e-01 4.01063497e-09] [ 9.88212114e-02 1.96944435e-01 -7.23664652e-09] [ 1.14298280e-01 -4.03091425e-02 -1.43544555e-02] [-1.14298265e-01 4.03091401e-02 -1.43544589e-02] [ 1.14298274e-01 -4.03091451e-02 1.43544575e-02] [-1.14298272e-01 4.03091498e-02 1.43544535e-02] [-3.22850723e-02 3.80599423e-02 -2.00055732e-02] [-3.22850606e-02 3.80599392e-02 2.00055823e-02] [ 3.22850664e-02 -3.80599491e-02 -2.00055821e-02] [ 3.22850706e-02 -3.80599496e-02 2.00055774e-02] [-9.88212160e-02 -1.96944440e-01 -1.46752674e-09] [ 1.98970419e-01 -1.02762301e-01 8.08051010e-10] [-1.98970422e-01 1.02762298e-01 6.91553639e-10] [ 9.88212204e-02 1.96944429e-01 4.07841327e-09]] Final stress: [-7.11357350e-04 -2.75931429e-03 -2.11548166e-03 -1.27989233e-12 -6.05942062e-13 -1.18971633e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.09356073e-02 -1.63139777e-02 -1.57527480e-09] [ 7.09355942e-02 1.63139757e-02 -6.88188548e-09] [ 3.10038372e-02 1.30669253e-02 -1.15147888e-09] [-3.10038397e-02 -1.30669251e-02 -1.10592804e-09] [ 3.99850162e-09 4.02881044e-11 5.87536323e-02] [ 1.92159269e-09 1.45961926e-09 -5.87536369e-02] [-7.09355999e-02 -1.63139722e-02 9.89638985e-10] [ 7.09355950e-02 1.63139679e-02 -4.35173341e-09] [ 3.10038394e-02 1.30669217e-02 2.84090826e-09] [-3.10038402e-02 -1.30669176e-02 3.69305535e-09] [-4.81487015e-09 -9.51582210e-10 5.87536398e-02] [ 3.36341621e-09 -3.43347398e-09 -5.87536358e-02] [ 6.79611082e-02 -1.17050357e-01 1.21422790e-01] [-6.79611052e-02 1.17050354e-01 1.21422790e-01] [ 1.47895609e-02 -1.60713681e-01 1.24689013e-01] [-1.47895621e-02 1.60713676e-01 1.24689018e-01] [ 6.79611056e-02 -1.17050351e-01 -1.21422793e-01] [-6.79611058e-02 1.17050359e-01 -1.21422797e-01] [-1.47895606e-02 1.60713681e-01 -1.24689020e-01] [ 1.47895563e-02 -1.60713676e-01 -1.24689023e-01] [ 6.79611066e-02 -1.17050359e-01 1.21422787e-01] [-6.79611102e-02 1.17050356e-01 1.21422792e-01] [ 1.47895631e-02 -1.60713675e-01 1.24689021e-01] [-1.47895612e-02 1.60713672e-01 1.24689018e-01] [ 6.79611035e-02 -1.17050356e-01 -1.21422789e-01] [-6.79611076e-02 1.17050350e-01 -1.21422792e-01] [-1.47895610e-02 1.60713671e-01 -1.24689020e-01] [ 1.47895619e-02 -1.60713678e-01 -1.24689017e-01] [ 7.93217983e-09 1.17827705e-08 1.46416154e-09] [ 4.55324513e-09 -3.09339586e-09 6.59646251e-10] [-1.14305306e-01 -4.02907990e-02 -1.43410742e-02] [ 1.14305296e-01 4.02907948e-02 -1.43410941e-02] [-1.14305297e-01 -4.02908238e-02 1.43410631e-02] [ 1.14305302e-01 4.02908175e-02 1.43410802e-02] [-3.22912688e-02 -3.80719622e-02 -2.00082288e-02] [-3.22912408e-02 -3.80719724e-02 2.00082528e-02] [ 3.22912530e-02 3.80719732e-02 -2.00082538e-02] [ 3.22912236e-02 3.80719686e-02 2.00082742e-02] [-1.98973784e-01 -1.02763705e-01 4.18821655e-09] [ 9.88380113e-02 -1.96944322e-01 -7.57231989e-10] [-9.88380032e-02 1.96944340e-01 1.28764913e-08] [ 1.98973766e-01 1.02763727e-01 2.97181635e-09] [-1.14305280e-01 -4.02907052e-02 -1.43411581e-02] [ 1.14305297e-01 4.02906978e-02 -1.43411790e-02] [-1.14305278e-01 -4.02907604e-02 1.43411310e-02] [ 1.14305299e-01 4.02907367e-02 1.43411637e-02] [-3.22913207e-02 -3.80719800e-02 -2.00081782e-02] [-3.22912977e-02 -3.80719792e-02 2.00081966e-02] [ 3.22913082e-02 3.80719747e-02 -2.00081865e-02] [ 3.22913081e-02 3.80719784e-02 2.00081959e-02] [-1.98973721e-01 -1.02763772e-01 -1.89257333e-09] [ 9.88379490e-02 -1.96944392e-01 5.72125742e-09] [-9.88379294e-02 1.96944414e-01 -1.69781075e-09] [ 1.98973725e-01 1.02763762e-01 8.59685613e-10]] Final stress: [-7.11333076e-04 -2.75943594e-03 -2.11553117e-03 6.37072808e-12 -5.14464510e-12 1.18982565e-03] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.37925820e-02 4.95293476e-13 -1.72383809e-13] [ 1.37925820e-02 4.70457007e-14 -4.13863388e-13] [-2.47428597e-13 -1.85134402e-02 -5.92609729e-14] [-1.97897254e-13 1.85134402e-02 1.49019685e-13] [ 4.69430918e-13 4.54249485e-13 -1.37925820e-02] [ 6.23306962e-13 -2.83828516e-13 1.37925820e-02] [-1.37925820e-02 1.08786678e-13 5.52640111e-13] [ 1.37925820e-02 1.45397583e-13 -3.35422674e-13] [-1.80772498e-13 -1.85134402e-02 -1.90513605e-13] [ 9.39352762e-14 1.85134402e-02 -1.02085935e-13] [-4.78532144e-14 -1.76844595e-13 -1.37925820e-02] [ 3.19055546e-13 -6.74362771e-13 1.37925820e-02] [-6.21159297e-03 5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 -5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 5.41546090e-03 6.21159297e-03] [-6.21159297e-03 -5.41546090e-03 6.21159297e-03] [-6.21159297e-03 5.41546090e-03 6.21159297e-03] [ 6.21159297e-03 -5.41546090e-03 6.21159297e-03] [-6.21159297e-03 -5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 5.41546090e-03 -6.21159297e-03] [-6.21159297e-03 5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 -5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 5.41546090e-03 6.21159297e-03] [-6.21159297e-03 -5.41546090e-03 6.21159297e-03] [-6.21159297e-03 5.41546090e-03 6.21159297e-03] [ 6.21159297e-03 -5.41546090e-03 6.21159297e-03] [-6.21159297e-03 -5.41546090e-03 -6.21159297e-03] [ 6.21159297e-03 5.41546090e-03 -6.21159297e-03] [-3.81805698e-13 -4.45116166e-13 -1.27853284e-12] [ 6.72474663e-13 -1.70384252e-13 1.59480649e-13] [ 5.75539616e-13 -4.93252399e-04 -1.85848503e-03] [-5.77975168e-14 4.93252399e-04 -1.85848503e-03] [-5.24479765e-13 -4.93252397e-04 1.85848503e-03] [ 2.00442093e-13 4.93252397e-04 1.85848503e-03] [-1.39124514e-02 2.22488694e-13 -1.39124514e-02] [-1.39124514e-02 -1.33136557e-13 1.39124514e-02] [ 1.39124514e-02 5.90517218e-13 -1.39124514e-02] [ 1.39124514e-02 7.25784016e-13 1.39124514e-02] [-1.85848503e-03 -4.93252397e-04 -1.93178806e-13] [ 1.85848503e-03 -4.93252397e-04 -5.07422229e-13] [-1.85848503e-03 4.93252398e-04 -8.90747545e-13] [ 1.85848503e-03 4.93252398e-04 1.26230623e-13] [ 2.34579283e-13 -4.93252398e-04 -1.85848503e-03] [ 1.46989712e-12 4.93252397e-04 -1.85848503e-03] [-1.32136316e-12 -4.93252398e-04 1.85848503e-03] [-2.69728250e-13 4.93252398e-04 1.85848503e-03] [-1.39124514e-02 -1.90513407e-13 -1.39124514e-02] [-1.39124514e-02 5.63873817e-13 1.39124514e-02] [ 1.39124514e-02 1.13483138e-12 -1.39124514e-02] [ 1.39124514e-02 -4.96405000e-13 1.39124514e-02] [-1.85848503e-03 -4.93252399e-04 -1.71543301e-12] [ 1.85848503e-03 -4.93252398e-04 -9.26723521e-13] [-1.85848503e-03 4.93252398e-04 -2.36409240e-13] [ 1.85848503e-03 4.93252397e-04 1.72229418e-13]] Final stress: [-9.26755198e-05 6.42936500e-04 -9.26755198e-05 1.15227105e-15 7.38251582e-16 9.97637273e-18] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.33432803e-04 4.38120026e-13 1.68591183e-12] [-5.33432799e-04 1.33318356e-12 2.01696992e-12] [ 3.91161192e-12 4.81933322e-02 2.47253520e-12] [ 4.83957319e-12 -4.81933321e-02 3.61705110e-12] [ 2.87020321e-12 3.50076738e-13 -4.36889777e-02] [ 3.33996719e-12 5.43898260e-13 4.36889777e-02] [ 5.33432792e-04 1.86703951e-13 -5.24919174e-13] [-5.33432800e-04 -3.09119050e-14 -1.28432228e-12] [-2.08499364e-12 4.81933322e-02 -3.33272472e-13] [-8.66925021e-13 -4.81933321e-02 -8.73253931e-13] [-2.84962982e-12 -2.72596410e-13 -4.36889777e-02] [-1.25580059e-12 2.04632019e-13 4.36889777e-02] [-5.96141968e-04 5.65532942e-03 -5.17701420e-03] [ 5.96141974e-04 -5.65532942e-03 -5.17701420e-03] [ 5.96141972e-04 5.65532942e-03 5.17701420e-03] [-5.96141970e-04 -5.65532942e-03 5.17701420e-03] [-5.96141966e-04 5.65532942e-03 5.17701420e-03] [ 5.96141975e-04 -5.65532942e-03 5.17701421e-03] [-5.96141970e-04 -5.65532942e-03 -5.17701420e-03] [ 5.96141968e-04 5.65532942e-03 -5.17701420e-03] [-5.96141976e-04 5.65532941e-03 -5.17701420e-03] [ 5.96141968e-04 -5.65532942e-03 -5.17701420e-03] [ 5.96141966e-04 5.65532942e-03 5.17701420e-03] [-5.96141976e-04 -5.65532942e-03 5.17701420e-03] [-5.96141976e-04 5.65532941e-03 5.17701420e-03] [ 5.96141968e-04 -5.65532942e-03 5.17701420e-03] [-5.96141976e-04 -5.65532942e-03 -5.17701420e-03] [ 5.96141967e-04 5.65532942e-03 -5.17701420e-03] [ 7.94656008e-12 -7.16093851e-14 4.33217351e-12] [-7.04483780e-13 -8.32267090e-12 1.05186610e-12] [-3.35409478e-12 -1.79067956e-02 1.78977869e-02] [ 8.54892546e-13 1.79067956e-02 1.78977869e-02] [-1.69952941e-12 -1.79067956e-02 -1.78977869e-02] [ 4.31881961e-13 1.79067956e-02 -1.78977869e-02] [-5.44022158e-03 -6.49258425e-13 1.21145725e-02] [-5.44022158e-03 -2.05335748e-13 -1.21145725e-02] [ 5.44022158e-03 -4.39459927e-12 1.21145725e-02] [ 5.44022158e-03 -2.88288317e-12 -1.21145725e-02] [ 1.07437844e-02 -7.75962722e-03 3.90798505e-12] [-1.07437844e-02 -7.75962723e-03 3.17366446e-12] [ 1.07437844e-02 7.75962723e-03 2.04017012e-12] [-1.07437844e-02 7.75962723e-03 1.31414324e-12] [-9.29928877e-14 -1.79067956e-02 1.78977869e-02] [-4.52844793e-13 1.79067956e-02 1.78977869e-02] [-3.32574246e-13 -1.79067956e-02 -1.78977869e-02] [-8.80732119e-14 1.79067956e-02 -1.78977869e-02] [-5.44022158e-03 -1.98975893e-12 1.21145725e-02] [-5.44022158e-03 -1.04888342e-12 -1.21145725e-02] [ 5.44022159e-03 -1.37856393e-12 1.21145725e-02] [ 5.44022158e-03 -1.30193209e-12 -1.21145726e-02] [ 1.07437844e-02 -7.75962724e-03 1.48611139e-12] [-1.07437844e-02 -7.75962723e-03 8.52207370e-13] [ 1.07437844e-02 7.75962724e-03 -5.20724482e-14] [-1.07437844e-02 7.75962723e-03 -8.04203492e-13]] Final stress: [-2.78094018e-05 -4.64834778e-04 3.78406682e-04 -1.14215851e-15 -9.32679656e-16 -1.89029727e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.33434940e-04 -1.47724324e-12 1.14119825e-12] [-5.33434937e-04 -5.43315393e-13 1.45058965e-12] [ 3.46975183e-12 -4.36892109e-02 3.06064375e-12] [ 2.92293967e-12 4.36892109e-02 3.37327388e-12] [ 4.95631010e-12 4.21976690e-13 4.81936151e-02] [ 4.95115060e-12 9.83518822e-13 -4.81936151e-02] [ 5.33434924e-04 2.93092807e-13 -9.52812694e-13] [-5.33434934e-04 -4.14941519e-14 -5.50431307e-13] [-2.85109566e-12 -4.36892109e-02 -1.43161513e-13] [-2.23509145e-12 4.36892109e-02 -8.55189966e-13] [-6.06759434e-13 -7.58758062e-13 4.81936151e-02] [-3.00531301e-13 -1.82621165e-12 -4.81936151e-02] [-5.96148406e-04 -5.17704652e-03 5.65536777e-03] [ 5.96148413e-04 5.17704652e-03 5.65536778e-03] [ 5.96148413e-04 -5.17704651e-03 -5.65536777e-03] [-5.96148410e-04 5.17704652e-03 -5.65536778e-03] [-5.96148409e-04 -5.17704652e-03 -5.65536778e-03] [ 5.96148415e-04 5.17704652e-03 -5.65536778e-03] [-5.96148409e-04 5.17704652e-03 5.65536778e-03] [ 5.96148408e-04 -5.17704652e-03 5.65536778e-03] [-5.96148415e-04 -5.17704652e-03 5.65536777e-03] [ 5.96148406e-04 5.17704652e-03 5.65536777e-03] [ 5.96148407e-04 -5.17704652e-03 -5.65536778e-03] [-5.96148414e-04 5.17704652e-03 -5.65536778e-03] [-5.96148415e-04 -5.17704652e-03 -5.65536778e-03] [ 5.96148407e-04 5.17704652e-03 -5.65536778e-03] [-5.96148414e-04 5.17704652e-03 5.65536777e-03] [ 5.96148408e-04 -5.17704652e-03 5.65536777e-03] [ 7.48401341e-12 6.32577324e-13 5.05706588e-12] [ 3.29011558e-13 -2.37407740e-12 -4.11594231e-13] [-1.52988733e-13 1.78980724e-02 -1.79070767e-02] [-2.51233062e-13 -1.78980724e-02 -1.79070767e-02] [ 2.30857347e-12 1.78980724e-02 1.79070767e-02] [ 1.27152282e-12 -1.78980724e-02 1.79070767e-02] [ 1.07439522e-02 -5.67568215e-12 -7.75975915e-03] [ 1.07439521e-02 -5.66674485e-12 7.75975914e-03] [-1.07439521e-02 -4.12684470e-12 -7.75975915e-03] [-1.07439521e-02 -3.21292125e-12 7.75975915e-03] [-5.44031569e-03 1.21147507e-02 8.05022715e-13] [ 5.44031568e-03 1.21147507e-02 -1.69020527e-12] [-5.44031568e-03 -1.21147507e-02 1.53474455e-12] [ 5.44031568e-03 -1.21147507e-02 -7.55782589e-13] [-5.71502914e-13 1.78980724e-02 -1.79070767e-02] [ 8.25505463e-13 -1.78980724e-02 -1.79070767e-02] [-1.11654392e-12 1.78980724e-02 1.79070767e-02] [-8.80159660e-13 -1.78980724e-02 1.79070767e-02] [ 1.07439521e-02 -2.18362475e-12 -7.75975915e-03] [ 1.07439521e-02 -1.34495583e-12 7.75975916e-03] [-1.07439521e-02 -2.43535270e-12 -7.75975914e-03] [-1.07439521e-02 -2.47185996e-12 7.75975914e-03] [-5.44031568e-03 1.21147507e-02 2.81933335e-12] [ 5.44031568e-03 1.21147507e-02 2.88348325e-12] [-5.44031568e-03 -1.21147507e-02 1.47578092e-12] [ 5.44031567e-03 -1.21147507e-02 2.18620001e-12]] Final stress: [-2.78097650e-05 3.78408025e-04 -4.64837189e-04 2.14798951e-15 -9.31017125e-17 3.82382034e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.35093615e-03 8.01515972e-14 7.92408673e-14] [ 2.35093615e-03 1.18210997e-13 1.49352752e-13] [ 1.20302206e-13 -5.66507922e-03 -2.29507385e-13] [ 2.71116463e-13 5.66507922e-03 -8.53206394e-14] [-4.46895125e-14 1.47520017e-13 -5.66507922e-03] [-1.75970349e-14 7.65221220e-14 5.66507921e-03] [-2.35093615e-03 2.76383950e-13 8.94125004e-14] [ 2.35093615e-03 3.48697200e-13 -6.45342984e-14] [-2.92634840e-13 -5.66507921e-03 3.48415471e-13] [-1.84518199e-14 5.66507922e-03 1.84014143e-14] [-2.92558946e-13 -1.40342507e-13 -5.66507921e-03] [-1.36422991e-13 -9.57440959e-14 5.66507921e-03] [-2.05069671e-03 -2.64645576e-04 -2.64645577e-04] [ 2.05069671e-03 2.64645577e-04 -2.64645577e-04] [ 2.05069671e-03 -2.64645577e-04 2.64645577e-04] [-2.05069671e-03 2.64645577e-04 2.64645576e-04] [-2.05069671e-03 -2.64645576e-04 2.64645576e-04] [ 2.05069671e-03 2.64645577e-04 2.64645577e-04] [-2.05069671e-03 2.64645576e-04 -2.64645577e-04] [ 2.05069671e-03 -2.64645577e-04 -2.64645577e-04] [-2.05069671e-03 -2.64645577e-04 -2.64645577e-04] [ 2.05069671e-03 2.64645577e-04 -2.64645576e-04] [ 2.05069671e-03 -2.64645576e-04 2.64645576e-04] [-2.05069671e-03 2.64645577e-04 2.64645576e-04] [-2.05069671e-03 -2.64645576e-04 2.64645576e-04] [ 2.05069671e-03 2.64645576e-04 2.64645576e-04] [-2.05069671e-03 2.64645577e-04 -2.64645577e-04] [ 2.05069671e-03 -2.64645577e-04 -2.64645576e-04] [ 3.48693296e-13 -4.30488978e-13 1.55883639e-12] [-2.02215024e-12 2.20074496e-13 8.70629218e-13] [ 4.09672296e-13 3.83925996e-04 3.83925997e-04] [ 7.37951367e-14 -3.83925996e-04 3.83925997e-04] [ 5.47766693e-13 3.83925992e-04 -3.83925999e-04] [-1.97094077e-13 -3.83925994e-04 -3.83925998e-04] [-5.49101810e-04 -1.59650071e-12 -1.67511008e-03] [-5.49101812e-04 -4.24651633e-13 1.67511008e-03] [ 5.49101809e-04 -1.39695720e-12 -1.67511009e-03] [ 5.49101812e-04 -1.13267382e-12 1.67511008e-03] [-5.49101813e-04 -1.67511008e-03 -3.04645198e-13] [ 5.49101813e-04 -1.67511008e-03 -6.87505608e-13] [-5.49101814e-04 1.67511008e-03 2.18488422e-14] [ 5.49101814e-04 1.67511008e-03 -8.84651727e-13] [ 6.99929264e-13 3.83925997e-04 3.83925995e-04] [ 2.15179870e-13 -3.83925996e-04 3.83925996e-04] [ 6.02873654e-13 3.83925999e-04 -3.83925993e-04] [ 3.65006202e-13 -3.83925998e-04 -3.83925995e-04] [-5.49101814e-04 5.97996662e-13 -1.67511008e-03] [-5.49101813e-04 -3.38922683e-13 1.67511008e-03] [ 5.49101814e-04 -2.32727466e-13 -1.67511008e-03] [ 5.49101813e-04 -1.31500713e-13 1.67511008e-03] [-5.49101811e-04 -1.67511008e-03 1.96016046e-12] [ 5.49101811e-04 -1.67511008e-03 8.44766477e-13] [-5.49101810e-04 1.67511008e-03 2.82399173e-12] [ 5.49101810e-04 1.67511008e-03 2.36391896e-12]] Final stress: [-1.11163875e-04 5.55540839e-05 5.55540839e-05 -1.92876539e-16 -1.42994675e-16 -5.47037769e-16] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 5.87530749e-02 -4.82093288e-09 -1.71990343e-09] [-5.87530805e-02 8.47519810e-09 -7.73692693e-10] [ 7.21852243e-10 -7.09419453e-02 1.63137731e-02] [-1.14639254e-09 7.09419528e-02 -1.63137717e-02] [-1.01394759e-09 -3.10077811e-02 1.30754682e-02] [-2.79525569e-10 3.10077779e-02 -1.30754693e-02] [ 5.87530871e-02 6.49052509e-10 3.02068858e-09] [-5.87530802e-02 2.04910524e-09 2.26281806e-10] [ 3.26014357e-09 -7.09419590e-02 1.63137674e-02] [-1.68825425e-09 7.09419487e-02 -1.63137691e-02] [ 1.05053500e-09 -3.10077783e-02 1.30754691e-02] [ 2.08544999e-09 3.10077804e-02 -1.30754697e-02] [-1.24694963e-01 -1.47847441e-02 -1.60711312e-01] [-1.21425812e-01 -6.79673732e-02 -1.17047948e-01] [-1.21425808e-01 6.79673728e-02 1.17047954e-01] [-1.24694963e-01 1.47847415e-02 1.60711315e-01] [ 1.21425808e-01 6.79673734e-02 1.17047947e-01] [ 1.24694965e-01 1.47847417e-02 1.60711311e-01] [ 1.21425816e-01 -6.79673714e-02 -1.17047948e-01] [ 1.24694961e-01 -1.47847474e-02 -1.60711316e-01] [-1.24694962e-01 -1.47847454e-02 -1.60711318e-01] [-1.21425805e-01 -6.79673762e-02 -1.17047950e-01] [-1.21425808e-01 6.79673753e-02 1.17047950e-01] [-1.24694971e-01 1.47847399e-02 1.60711312e-01] [ 1.21425811e-01 6.79673829e-02 1.17047955e-01] [ 1.24694968e-01 1.47847406e-02 1.60711310e-01] [ 1.21425803e-01 -6.79673747e-02 -1.17047949e-01] [ 1.24694965e-01 -1.47847450e-02 -1.60711309e-01] [ 1.63842434e-09 -3.32508862e-09 4.09481454e-09] [-7.04757776e-09 6.00331283e-09 1.50701695e-09] [-2.88165247e-09 -9.88469226e-02 -1.96940267e-01] [-1.48547305e-09 1.98973112e-01 -1.02764144e-01] [ 5.74991165e-09 -1.98973109e-01 1.02764146e-01] [-2.20351977e-09 9.88469452e-02 1.96940258e-01] [-1.43309141e-02 1.14306088e-01 -4.02761861e-02] [-1.43309057e-02 -1.14306078e-01 4.02761851e-02] [ 1.43309158e-02 1.14306093e-01 -4.02761804e-02] [ 1.43309094e-02 -1.14306077e-01 4.02761836e-02] [-2.00106397e-02 -3.22955283e-02 3.80811468e-02] [ 2.00106471e-02 -3.22955089e-02 3.80811414e-02] [-2.00106458e-02 3.22955076e-02 -3.80811515e-02] [ 2.00106313e-02 3.22955247e-02 -3.80811547e-02] [ 9.16986017e-09 -9.88468892e-02 -1.96940302e-01] [-5.94719331e-09 1.98973073e-01 -1.02764173e-01] [ 7.13118491e-09 -1.98973083e-01 1.02764170e-01] [-8.70700608e-09 9.88468887e-02 1.96940307e-01] [-1.43309770e-02 1.14306065e-01 -4.02761343e-02] [-1.43309550e-02 -1.14306077e-01 4.02761439e-02] [ 1.43309711e-02 1.14306073e-01 -4.02761365e-02] [ 1.43309611e-02 -1.14306074e-01 4.02761358e-02] [-2.00105945e-02 -3.22955601e-02 3.80811614e-02] [ 2.00106026e-02 -3.22955580e-02 3.80811558e-02] [-2.00106140e-02 3.22955462e-02 -3.80811595e-02] [ 2.00106038e-02 3.22955535e-02 -3.80811563e-02]] Final stress: [-2.11557040e-03 -7.11360407e-04 -2.75948852e-03 -1.18988926e-03 -8.00313282e-12 -3.84452521e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 5.87299716e-02 -3.34238801e-09 3.82460953e-10] [-5.87299722e-02 2.71574113e-09 -1.40600154e-09] [ 3.27349718e-09 -7.09387500e-02 -1.63083231e-02] [-2.22676774e-09 7.09387613e-02 1.63083209e-02] [ 1.68676947e-09 3.10210060e-02 1.31025786e-02] [ 2.84123011e-09 -3.10210076e-02 -1.31025769e-02] [ 5.87299822e-02 3.01081472e-09 3.30262138e-09] [-5.87299892e-02 -4.29656002e-10 -3.18011735e-09] [-1.50132418e-09 -7.09387585e-02 -1.63083194e-02] [ 1.98785718e-09 7.09387613e-02 1.63083187e-02] [ 1.54571313e-09 3.10210091e-02 1.31025709e-02] [ 2.44252163e-09 -3.10210125e-02 -1.31025750e-02] [ 1.21427665e-01 6.79809372e-02 -1.17032013e-01] [ 1.24694269e-01 1.47824093e-02 -1.60697525e-01] [ 1.24694269e-01 -1.47824040e-02 1.60697521e-01] [ 1.21427673e-01 -6.79809326e-02 1.17032015e-01] [-1.24694270e-01 -1.47824059e-02 1.60697524e-01] [-1.21427669e-01 -6.79809385e-02 1.17032013e-01] [-1.24694268e-01 1.47824079e-02 -1.60697531e-01] [-1.21427669e-01 6.79809337e-02 -1.17032012e-01] [ 1.21427667e-01 6.79809374e-02 -1.17032013e-01] [ 1.24694272e-01 1.47824048e-02 -1.60697524e-01] [ 1.24694277e-01 -1.47824069e-02 1.60697519e-01] [ 1.21427667e-01 -6.79809350e-02 1.17032016e-01] [-1.24694278e-01 -1.47824083e-02 1.60697523e-01] [-1.21427668e-01 -6.79809347e-02 1.17032018e-01] [-1.24694273e-01 1.47824024e-02 -1.60697520e-01] [-1.21427666e-01 6.79809354e-02 -1.17032010e-01] [-1.35136466e-09 -2.24994928e-09 -1.10367450e-08] [ 7.60797291e-09 -4.49573804e-09 5.93404140e-09] [-2.11168083e-10 -1.98960400e-01 -1.02760476e-01] [ 3.62518818e-09 9.88492528e-02 -1.96920857e-01] [-3.82954000e-10 -9.88492423e-02 1.96920871e-01] [ 5.23839525e-09 1.98960409e-01 1.02760458e-01] [-1.43121145e-02 -1.14293281e-01 -4.02500744e-02] [-1.43121180e-02 1.14293281e-01 4.02500707e-02] [ 1.43121078e-02 -1.14293287e-01 -4.02500819e-02] [ 1.43121217e-02 1.14293278e-01 4.02500700e-02] [-2.00153402e-02 -3.23033672e-02 -3.80985451e-02] [ 2.00153603e-02 -3.23033448e-02 -3.80985476e-02] [-2.00153704e-02 3.23033531e-02 3.80985508e-02] [ 2.00153578e-02 3.23033587e-02 3.80985506e-02] [ 2.37130654e-09 -1.98960319e-01 -1.02760561e-01] [-5.78100461e-09 9.88491520e-02 -1.96920954e-01] [ 4.46424538e-09 -9.88491410e-02 1.96920971e-01] [-6.52139116e-09 1.98960322e-01 1.02760551e-01] [-1.43122479e-02 -1.14293288e-01 -4.02499473e-02] [-1.43122488e-02 1.14293264e-01 4.02499519e-02] [ 1.43122390e-02 -1.14293273e-01 -4.02499572e-02] [ 1.43122462e-02 1.14293281e-01 4.02499510e-02] [-2.00152591e-02 -3.23034617e-02 -3.80985492e-02] [ 2.00152518e-02 -3.23034570e-02 -3.80985576e-02] [-2.00152667e-02 3.23034553e-02 3.80985655e-02] [ 2.00152699e-02 3.23034480e-02 3.80985542e-02]] Final stress: [-2.11565533e-03 -7.11545395e-04 -2.75944648e-03 1.18997247e-03 5.81300061e-12 -1.97627812e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.43187606e-05 3.80168987e-14 -1.66420795e-04] [-1.43187608e-05 -2.99760217e-15 1.66420795e-04] [ 7.00871652e-15 5.01690198e-04 1.53037305e-14] [ 5.01265696e-14 -5.01690197e-04 1.70974346e-14] [-1.66420795e-04 -1.22644950e-14 1.43187606e-05] [ 1.66420795e-04 -5.52335955e-15 -1.43187609e-05] [ 1.43187607e-05 2.77859333e-15 -1.66420795e-04] [-1.43187607e-05 1.37494183e-14 1.66420795e-04] [ 6.36296571e-15 5.01690198e-04 -1.25814162e-14] [-5.38813785e-14 -5.01690197e-04 -8.57844886e-15] [-1.66420795e-04 1.69507382e-14 1.43187607e-05] [ 1.66420795e-04 -1.63060055e-15 -1.43187607e-05] [ 1.83387553e-04 1.79256005e-04 1.83387553e-04] [-1.40962470e-04 3.58940229e-04 1.40962470e-04] [-1.83387553e-04 1.79256005e-04 -1.83387553e-04] [ 1.40962470e-04 3.58940229e-04 -1.40962470e-04] [ 1.40962470e-04 -3.58940229e-04 -1.40962470e-04] [-1.83387553e-04 -1.79256005e-04 -1.83387553e-04] [ 1.83387553e-04 -1.79256005e-04 1.83387553e-04] [-1.40962470e-04 -3.58940229e-04 1.40962470e-04] [ 1.83387553e-04 1.79256005e-04 1.83387553e-04] [-1.40962470e-04 3.58940229e-04 1.40962470e-04] [-1.83387553e-04 1.79256005e-04 -1.83387553e-04] [ 1.40962470e-04 3.58940229e-04 -1.40962470e-04] [ 1.40962470e-04 -3.58940229e-04 -1.40962470e-04] [-1.83387553e-04 -1.79256005e-04 -1.83387553e-04] [ 1.83387553e-04 -1.79256005e-04 1.83387553e-04] [-1.40962470e-04 -3.58940229e-04 1.40962470e-04] [ 1.73278059e-13 -1.01169073e-13 3.22880611e-13] [-3.18542935e-14 -2.49793385e-13 -3.67599618e-14] [ 3.10297530e-04 7.83149430e-05 1.07114489e-05] [ 3.10297530e-04 -7.83149431e-05 1.07114489e-05] [-3.10297530e-04 7.83149429e-05 -1.07114489e-05] [-3.10297530e-04 -7.83149429e-05 -1.07114490e-05] [ 6.49303582e-04 -1.44995127e-13 6.49303583e-04] [-1.18559872e-04 -3.11764503e-13 1.18559871e-04] [ 1.18559872e-04 -6.38968045e-14 -1.18559871e-04] [-6.49303582e-04 -8.36275493e-14 -6.49303583e-04] [ 1.07114494e-05 7.83149424e-05 3.10297530e-04] [-1.07114497e-05 7.83149422e-05 -3.10297530e-04] [ 1.07114495e-05 -7.83149425e-05 3.10297530e-04] [-1.07114496e-05 -7.83149422e-05 -3.10297530e-04] [ 3.10297530e-04 7.83149423e-05 1.07114495e-05] [ 3.10297530e-04 -7.83149421e-05 1.07114498e-05] [-3.10297530e-04 7.83149424e-05 -1.07114494e-05] [-3.10297530e-04 -7.83149424e-05 -1.07114495e-05] [ 6.49303583e-04 -1.44761440e-14 6.49303582e-04] [-1.18559871e-04 -1.60752488e-14 1.18559872e-04] [ 1.18559871e-04 -8.05410426e-14 -1.18559872e-04] [-6.49303583e-04 -8.50586962e-14 -6.49303583e-04] [ 1.07114489e-05 7.83149429e-05 3.10297531e-04] [-1.07114486e-05 7.83149432e-05 -3.10297530e-04] [ 1.07114490e-05 -7.83149429e-05 3.10297530e-04] [-1.07114489e-05 -7.83149430e-05 -3.10297530e-04]] Final stress: [ 2.34063227e-05 -1.13880286e-05 2.34063227e-05 1.82867464e-17 2.59323579e-05 2.49364724e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.00098867e-05 1.36973766e-14 1.24378914e-04] [-2.00098868e-05 1.52933222e-14 -1.24378914e-04] [-1.45773150e-14 5.03819979e-04 1.89587929e-14] [ 8.82627305e-15 -5.03819979e-04 1.22124533e-15] [ 1.24378914e-04 -2.01865434e-14 2.00098867e-05] [-1.24378914e-04 1.15185639e-14 -2.00098870e-05] [ 2.00098867e-05 2.82929062e-14 1.24378914e-04] [-2.00098868e-05 1.55379182e-14 -1.24378914e-04] [-8.53657423e-15 5.03819979e-04 -3.46883898e-14] [-1.31461682e-14 -5.03819979e-04 -6.13049519e-15] [ 1.24378914e-04 -5.65769918e-15 2.00098867e-05] [-1.24378914e-04 -1.18078343e-14 -2.00098868e-05] [ 1.51830339e-04 -3.84945063e-04 1.51830339e-04] [-1.70374231e-04 -2.03361238e-04 1.70374231e-04] [-1.51830339e-04 -3.84945063e-04 -1.51830339e-04] [ 1.70374231e-04 -2.03361238e-04 -1.70374231e-04] [ 1.70374231e-04 2.03361238e-04 -1.70374231e-04] [-1.51830339e-04 3.84945063e-04 -1.51830339e-04] [ 1.51830339e-04 3.84945063e-04 1.51830339e-04] [-1.70374231e-04 2.03361238e-04 1.70374231e-04] [ 1.51830339e-04 -3.84945063e-04 1.51830339e-04] [-1.70374231e-04 -2.03361238e-04 1.70374231e-04] [-1.51830339e-04 -3.84945063e-04 -1.51830339e-04] [ 1.70374231e-04 -2.03361238e-04 -1.70374231e-04] [ 1.70374231e-04 2.03361238e-04 -1.70374231e-04] [-1.51830339e-04 3.84945063e-04 -1.51830339e-04] [ 1.51830339e-04 3.84945063e-04 1.51830339e-04] [-1.70374231e-04 2.03361238e-04 1.70374231e-04] [ 7.22200078e-14 -1.18849375e-13 3.41976447e-13] [-1.80203075e-14 -1.39905109e-13 3.90677060e-14] [-3.18716957e-04 3.69366372e-05 4.18858917e-05] [-3.18716957e-04 -3.69366374e-05 4.18858916e-05] [ 3.18716957e-04 3.69366371e-05 -4.18858918e-05] [ 3.18716957e-04 -3.69366369e-05 -4.18858919e-05] [-1.16864608e-04 -4.88498131e-14 -1.16864609e-04] [ 6.42566771e-04 -1.88817711e-13 -6.42566770e-04] [-6.42566771e-04 -6.88910734e-14 6.42566770e-04] [ 1.16864608e-04 -4.85375629e-14 1.16864609e-04] [ 4.18858913e-05 3.69366376e-05 -3.18716957e-04] [-4.18858913e-05 3.69366376e-05 3.18716957e-04] [ 4.18858915e-05 -3.69366375e-05 -3.18716957e-04] [-4.18858915e-05 -3.69366375e-05 3.18716957e-04] [-3.18716957e-04 3.69366376e-05 4.18858913e-05] [-3.18716957e-04 -3.69366376e-05 4.18858913e-05] [ 3.18716957e-04 3.69366376e-05 -4.18858912e-05] [ 3.18716957e-04 -3.69366377e-05 -4.18858912e-05] [-1.16864609e-04 -1.50016718e-13 -1.16864608e-04] [ 6.42566771e-04 -3.97462011e-14 -6.42566771e-04] [-6.42566771e-04 -1.54995374e-13 6.42566771e-04] [ 1.16864609e-04 -9.86142591e-14 1.16864608e-04] [ 4.18858918e-05 3.69366370e-05 -3.18716957e-04] [-4.18858917e-05 3.69366372e-05 3.18716957e-04] [ 4.18858919e-05 -3.69366370e-05 -3.18716957e-04] [-4.18858919e-05 -3.69366370e-05 3.18716957e-04]] Final stress: [ 2.34521196e-05 -1.11754084e-05 2.34521196e-05 -2.32740409e-17 -2.63733535e-05 -9.97458896e-18] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 50 steps. Minimization converged after 49 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.31152898e-02 -3.10217004e-02 1.45881327e-09] [-1.31152911e-02 3.10217008e-02 -3.85722806e-09] [ 1.62999483e-02 -7.08877546e-02 1.60581407e-09] [-1.62999496e-02 7.08877574e-02 -5.39692716e-09] [-1.40973661e-09 -2.52162886e-09 5.86717589e-02] [ 4.25891653e-09 1.51969948e-09 -5.86717582e-02] [ 1.31152752e-02 -3.10217081e-02 -7.15614892e-09] [-1.31152806e-02 3.10217086e-02 -4.20461699e-10] [ 1.62999482e-02 -7.08877606e-02 -3.25008355e-09] [-1.62999475e-02 7.08877445e-02 6.40093422e-09] [-1.03405436e-09 4.33086721e-09 5.86717527e-02] [-2.81173450e-09 -2.65462961e-09 -5.86717528e-02] [-1.60676343e-01 -1.48091323e-02 -1.24648029e-01] [ 1.60676345e-01 1.48091371e-02 -1.24648017e-01] [ 1.17008708e-01 6.79713613e-02 -1.21407056e-01] [-1.17008712e-01 -6.79713675e-02 -1.21407052e-01] [-1.60676345e-01 -1.48091323e-02 1.24648027e-01] [ 1.60676336e-01 1.48091320e-02 1.24648021e-01] [-1.17008713e-01 -6.79713604e-02 1.21407055e-01] [ 1.17008716e-01 6.79713616e-02 1.21407055e-01] [-1.60676340e-01 -1.48091410e-02 -1.24648024e-01] [ 1.60676336e-01 1.48091362e-02 -1.24648028e-01] [ 1.17008711e-01 6.79713603e-02 -1.21407052e-01] [-1.17008714e-01 -6.79713609e-02 -1.21407051e-01] [-1.60676334e-01 -1.48091344e-02 1.24648028e-01] [ 1.60676341e-01 1.48091373e-02 1.24648024e-01] [-1.17008716e-01 -6.79713619e-02 1.21407052e-01] [ 1.17008704e-01 6.79713578e-02 1.21407050e-01] [-2.93747915e-10 -1.45884346e-09 4.58447114e-09] [ 4.61179068e-09 6.35183328e-09 2.14861550e-09] [ 3.80795810e-02 -3.22924392e-02 -2.00122048e-02] [-3.80795652e-02 3.22924398e-02 -2.00122171e-02] [ 3.80795688e-02 -3.22924365e-02 2.00122197e-02] [-3.80795768e-02 3.22924545e-02 2.00122089e-02] [-4.02800991e-02 1.14250966e-01 -1.43338253e-02] [-4.02800682e-02 1.14250952e-01 1.43338462e-02] [ 4.02800865e-02 -1.14250929e-01 -1.43338471e-02] [ 4.02800640e-02 -1.14250950e-01 1.43338610e-02] [-1.96894905e-01 -9.87926443e-02 -1.44531630e-08] [ 1.02749885e-01 -1.98930900e-01 -1.32577279e-09] [-1.02749863e-01 1.98930911e-01 4.48058025e-09] [ 1.96894899e-01 9.87926491e-02 1.05508749e-08] [ 3.80795727e-02 -3.22925577e-02 -2.00121048e-02] [-3.80795808e-02 3.22925565e-02 -2.00121051e-02] [ 3.80795787e-02 -3.22925893e-02 2.00120758e-02] [-3.80795661e-02 3.22925611e-02 2.00121101e-02] [-4.02799244e-02 1.14250935e-01 -1.43339894e-02] [-4.02799203e-02 1.14250954e-01 1.43339919e-02] [ 4.02799263e-02 -1.14250962e-01 -1.43340021e-02] [ 4.02799135e-02 -1.14250945e-01 1.43340142e-02] [-1.96895013e-01 -9.87925425e-02 3.36681563e-09] [ 1.02749990e-01 -1.98930794e-01 -7.80002924e-09] [-1.02749988e-01 1.98930801e-01 -9.64333295e-09] [ 1.96895027e-01 9.87925238e-02 -1.59527599e-08]] Final stress: [-2.75895511e-03 -7.11879800e-04 -2.11559663e-03 7.59442685e-13 -3.06813202e-12 -1.18970525e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.31031350e-02 3.10151836e-02 2.12010407e-10] [-1.31031333e-02 -3.10151816e-02 2.14999318e-09] [-1.63013157e-02 -7.08814598e-02 -1.24315728e-09] [ 1.63013141e-02 7.08814527e-02 -3.91988489e-09] [-5.75854095e-09 4.31570767e-09 5.86747946e-02] [ 8.72632661e-10 -8.58754540e-10 -5.86747936e-02] [ 1.31031322e-02 3.10151990e-02 1.25153838e-09] [-1.31031377e-02 -3.10151954e-02 -1.98631415e-10] [-1.63013276e-02 -7.08814618e-02 -2.19890726e-09] [ 1.63013245e-02 7.08814394e-02 2.52440711e-09] [ 4.15034985e-09 1.54029841e-10 5.86747991e-02] [ 5.63872521e-10 1.30170469e-09 -5.86748051e-02] [-1.17013312e-01 6.79628927e-02 1.21403075e-01] [ 1.17013306e-01 -6.79628938e-02 1.21403079e-01] [ 1.60680251e-01 -1.48145122e-02 1.24641333e-01] [-1.60680251e-01 1.48145131e-02 1.24641327e-01] [-1.17013304e-01 6.79628904e-02 -1.21403077e-01] [ 1.17013305e-01 -6.79628971e-02 -1.21403078e-01] [-1.60680252e-01 1.48145082e-02 -1.24641329e-01] [ 1.60680258e-01 -1.48145118e-02 -1.24641330e-01] [-1.17013294e-01 6.79628933e-02 1.21403075e-01] [ 1.17013299e-01 -6.79628924e-02 1.21403075e-01] [ 1.60680259e-01 -1.48145066e-02 1.24641334e-01] [-1.60680256e-01 1.48145015e-02 1.24641338e-01] [-1.17013300e-01 6.79628937e-02 -1.21403076e-01] [ 1.17013300e-01 -6.79628853e-02 -1.21403080e-01] [-1.60680257e-01 1.48145023e-02 -1.24641333e-01] [ 1.60680257e-01 -1.48145010e-02 -1.24641340e-01] [-1.02897342e-08 6.72040767e-09 -3.35902736e-09] [ 3.96679056e-09 1.53211930e-08 2.78436615e-09] [-3.80676743e-02 -3.22867469e-02 -2.00092213e-02] [ 3.80676760e-02 3.22867482e-02 -2.00092261e-02] [-3.80676802e-02 -3.22867374e-02 2.00092339e-02] [ 3.80676761e-02 3.22867272e-02 2.00092391e-02] [-4.02984624e-02 -1.14251186e-01 -1.43469484e-02] [-4.02984723e-02 -1.14251195e-01 1.43469379e-02] [ 4.02984419e-02 1.14251208e-01 -1.43469643e-02] [ 4.02984662e-02 1.14251205e-01 1.43469560e-02] [-1.02750043e-01 -1.98933001e-01 -1.28875788e-09] [ 1.96901121e-01 -9.87827006e-02 -1.80006102e-10] [-1.96901109e-01 9.87827078e-02 5.29051296e-10] [ 1.02750049e-01 1.98932987e-01 7.50910126e-09] [-3.80676488e-02 -3.22868744e-02 -2.00091063e-02] [ 3.80676543e-02 3.22868665e-02 -2.00091063e-02] [-3.80676477e-02 -3.22868640e-02 2.00091061e-02] [ 3.80676504e-02 3.22868496e-02 2.00091238e-02] [-4.02982890e-02 -1.14251229e-01 -1.43471076e-02] [-4.02983122e-02 -1.14251222e-01 1.43471005e-02] [ 4.02982832e-02 1.14251233e-01 -1.43471193e-02] [ 4.02983013e-02 1.14251234e-01 1.43471109e-02] [-1.02750176e-01 -1.98932866e-01 6.69987368e-11] [ 1.96901218e-01 -9.87825956e-02 -3.50337670e-09] [-1.96901208e-01 9.87826039e-02 7.87056470e-09] [ 1.02750192e-01 1.98932850e-01 -6.22497256e-09]] Final stress: [-2.75890173e-03 -7.11834014e-04 -2.11554381e-03 1.15158720e-13 -8.37383107e-12 1.18962235e-03] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.51236593e-02 -4.94639486e-13 -1.71611857e-14] [ 1.51236593e-02 -5.39707168e-13 1.26620936e-13] [ 8.93733872e-14 -1.51236593e-02 -1.15307069e-14] [ 1.37556633e-12 1.51236593e-02 6.54365451e-13] [-4.05805381e-13 -4.43264132e-13 -2.12619413e-02] [-4.04537515e-13 -7.14817094e-13 2.12619413e-02] [-1.51236593e-02 -6.16649960e-13 -1.66066142e-13] [ 1.51236593e-02 -6.41530665e-13 3.52245507e-13] [-5.07139469e-13 -1.51236593e-02 6.07728554e-13] [ 2.30158774e-13 1.51236593e-02 -8.28683006e-14] [-5.38672405e-13 -2.34187524e-14 -2.12619413e-02] [-1.57059695e-13 5.76679381e-14 2.12619413e-02] [-7.55922195e-03 -7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 -7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 -7.55922195e-03 -6.65905094e-03] [ 7.55922195e-03 7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 -7.55922195e-03 6.65905094e-03] [-7.55922195e-03 -7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 -7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 -7.55922195e-03 -6.65905094e-03] [ 7.55922195e-03 7.55922195e-03 -6.65905094e-03] [-7.55922195e-03 7.55922195e-03 6.65905094e-03] [ 7.55922195e-03 -7.55922195e-03 6.65905094e-03] [-1.27639566e-12 -6.35602682e-14 -1.20115029e-12] [ 1.03161663e-12 -2.21686653e-13 -1.18077961e-12] [ 4.41202630e-13 -2.73471322e-03 7.90486328e-04] [ 3.77003984e-13 2.73471322e-03 7.90486327e-04] [-4.33306169e-13 -2.73471322e-03 -7.90486328e-04] [ 6.60842908e-14 2.73471322e-03 -7.90486329e-04] [-2.73471322e-03 5.78315174e-13 7.90486328e-04] [-2.73471322e-03 -1.46715973e-13 -7.90486329e-04] [ 2.73471322e-03 -2.23867799e-13 7.90486328e-04] [ 2.73471322e-03 4.08699116e-13 -7.90486328e-04] [-1.67316512e-02 -1.67316512e-02 6.79123424e-13] [ 1.67316512e-02 -1.67316512e-02 1.41515272e-13] [-1.67316512e-02 1.67316512e-02 -1.10243412e-13] [ 1.67316512e-02 1.67316512e-02 -3.76851328e-14] [-2.10409815e-13 -2.73471322e-03 7.90486329e-04] [-2.09101833e-13 2.73471322e-03 7.90486329e-04] [-4.29434700e-13 -2.73471322e-03 -7.90486330e-04] [-1.17106932e-12 2.73471322e-03 -7.90486329e-04] [-2.73471322e-03 1.32182267e-12 7.90486329e-04] [-2.73471322e-03 1.27050031e-12 -7.90486327e-04] [ 2.73471322e-03 1.19969226e-12 7.90486328e-04] [ 2.73471322e-03 -2.76077772e-13 -7.90486328e-04] [-1.67316512e-02 -1.67316512e-02 -7.25051244e-13] [ 1.67316512e-02 -1.67316512e-02 1.99568064e-13] [-1.67316512e-02 1.67316512e-02 4.65705589e-13] [ 1.67316512e-02 1.67316512e-02 -7.53047364e-13]] Final stress: [-1.01511796e-04 -1.01511796e-04 7.38779327e-04 5.96919635e-16 -1.04585641e-15 -2.38601581e-15] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 5.88420565e-02 -1.64467217e-09 1.97023752e-09] [-5.88420635e-02 -7.44018985e-10 -1.95159944e-10] [-1.84597907e-09 1.30463070e-02 -3.10007812e-02] [-1.29679356e-09 -1.30463067e-02 3.10007820e-02] [-2.96272274e-09 1.63275145e-02 -7.10125811e-02] [ 8.79553458e-10 -1.63275137e-02 7.10125709e-02] [ 5.88420635e-02 1.27371749e-09 -3.69179413e-09] [-5.88420689e-02 7.38755615e-09 -6.68739189e-09] [ 8.40721844e-10 1.30462996e-02 -3.10007785e-02] [-2.77192271e-09 -1.30462926e-02 3.10007750e-02] [ 2.81954354e-10 1.63275114e-02 -7.10125710e-02] [ 1.59401459e-09 -1.63275101e-02 7.10125704e-02] [-1.24757843e-01 -1.60746222e-01 -1.47495266e-02] [-1.21452626e-01 1.17086709e-01 6.79742061e-02] [-1.21452626e-01 -1.17086712e-01 -6.79742084e-02] [-1.24757846e-01 1.60746219e-01 1.47495277e-02] [ 1.21452630e-01 -1.17086712e-01 -6.79741985e-02] [ 1.24757841e-01 1.60746214e-01 1.47495249e-02] [ 1.21452627e-01 1.17086709e-01 6.79742004e-02] [ 1.24757844e-01 -1.60746211e-01 -1.47495167e-02] [-1.24757845e-01 -1.60746214e-01 -1.47495340e-02] [-1.21452627e-01 1.17086712e-01 6.79742034e-02] [-1.21452627e-01 -1.17086710e-01 -6.79742070e-02] [-1.24757837e-01 1.60746213e-01 1.47495298e-02] [ 1.21452629e-01 -1.17086704e-01 -6.79741995e-02] [ 1.24757838e-01 1.60746211e-01 1.47495279e-02] [ 1.21452628e-01 1.17086709e-01 6.79741997e-02] [ 1.24757843e-01 -1.60746215e-01 -1.47495283e-02] [ 7.41799477e-09 -2.83628288e-10 1.11670588e-08] [ 8.76130453e-09 -3.85786933e-09 5.45514473e-10] [-3.55722729e-09 -1.96983796e-01 -9.89225308e-02] [-1.20501368e-08 1.02780045e-01 -1.99018620e-01] [-2.37231955e-09 -1.02780058e-01 1.99018621e-01] [-5.12418401e-09 1.96983818e-01 9.89225075e-02] [-2.00127575e-02 3.80989580e-02 -3.23067508e-02] [-2.00127649e-02 -3.80989672e-02 3.23067439e-02] [ 2.00127450e-02 3.80989609e-02 -3.23067682e-02] [ 2.00127573e-02 -3.80989544e-02 3.23067661e-02] [-1.43098845e-02 -4.02470784e-02 1.14369043e-01] [ 1.43098936e-02 -4.02470493e-02 1.14369040e-01] [-1.43099033e-02 4.02470619e-02 -1.14369055e-01] [ 1.43099120e-02 4.02470420e-02 -1.14369055e-01] [-3.26727214e-09 -1.96983774e-01 -9.89225562e-02] [-2.68120311e-09 1.02780019e-01 -1.99018653e-01] [ 1.10154725e-09 -1.02780001e-01 1.99018670e-01] [-1.88189757e-09 1.96983775e-01 9.89225479e-02] [-2.00128077e-02 3.80989668e-02 -3.23067022e-02] [-2.00127857e-02 -3.80989604e-02 3.23067238e-02] [ 2.00127994e-02 3.80989694e-02 -3.23067220e-02] [ 2.00127891e-02 -3.80989648e-02 3.23067327e-02] [-1.43098248e-02 -4.02471267e-02 1.14369045e-01] [ 1.43098500e-02 -4.02470872e-02 1.14369052e-01] [-1.43098487e-02 4.02471068e-02 -1.14369032e-01] [ 1.43098593e-02 4.02470854e-02 -1.14369037e-01]] Final stress: [-2.11560896e-03 -2.76017158e-03 -7.10825319e-04 -1.19021175e-03 -1.98488555e-12 -8.95256586e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 5.86756807e-02 2.20006333e-09 1.74759237e-09] [-5.86756840e-02 -1.93712968e-09 -2.15485418e-09] [-3.65580460e-09 1.31044384e-02 3.10173935e-02] [-9.61614233e-10 -1.31044350e-02 -3.10173936e-02] [-3.73973831e-09 -1.63003837e-02 -7.08829612e-02] [-1.23519142e-09 1.63003861e-02 7.08829821e-02] [ 5.86756746e-02 -3.46277355e-09 -5.08927315e-10] [-5.86756710e-02 -8.28424949e-10 3.05506530e-09] [ 5.24962535e-09 1.31044390e-02 3.10174016e-02] [ 1.22142232e-09 -1.31044417e-02 -3.10174012e-02] [-2.74979330e-09 -1.63003776e-02 -7.08829509e-02] [-8.81825916e-10 1.63003782e-02 7.08829725e-02] [ 1.21404860e-01 -1.17012711e-01 6.79645976e-02] [ 1.24643697e-01 1.60680397e-01 -1.48133953e-02] [ 1.24643697e-01 -1.60680394e-01 1.48134016e-02] [ 1.21404853e-01 1.17012710e-01 -6.79645928e-02] [-1.24643700e-01 -1.60680399e-01 1.48133955e-02] [-1.21404864e-01 1.17012712e-01 -6.79645891e-02] [-1.24643702e-01 1.60680400e-01 -1.48133916e-02] [-1.21404865e-01 -1.17012702e-01 6.79645922e-02] [ 1.21404861e-01 -1.17012711e-01 6.79645979e-02] [ 1.24643703e-01 1.60680387e-01 -1.48133981e-02] [ 1.24643697e-01 -1.60680391e-01 1.48134068e-02] [ 1.21404858e-01 1.17012713e-01 -6.79645947e-02] [-1.24643694e-01 -1.60680395e-01 1.48134011e-02] [-1.21404855e-01 1.17012706e-01 -6.79645924e-02] [-1.24643700e-01 1.60680396e-01 -1.48133942e-02] [-1.21404861e-01 -1.17012707e-01 6.79645913e-02] [-9.88343102e-10 -2.72377421e-09 -1.25339587e-08] [ 2.59333340e-09 -3.02860495e-09 -1.42765356e-08] [ 5.68568082e-09 -1.02749831e-01 -1.98933338e-01] [-3.07549570e-09 1.96901355e-01 -9.87852369e-02] [ 5.98666127e-10 -1.96901359e-01 9.87852186e-02] [-5.11531824e-09 1.02749818e-01 1.98933358e-01] [-2.00095228e-02 -3.80698378e-02 -3.22880837e-02] [-2.00095099e-02 3.80698353e-02 3.22880922e-02] [ 2.00095280e-02 -3.80698309e-02 -3.22880632e-02] [ 2.00095194e-02 3.80698402e-02 3.22880660e-02] [-1.43446777e-02 -4.02958510e-02 -1.14252606e-01] [ 1.43446635e-02 -4.02958831e-02 -1.14252603e-01] [-1.43446314e-02 4.02958800e-02 1.14252581e-01] [ 1.43446272e-02 4.02958972e-02 1.14252586e-01] [-5.50779456e-09 -1.02749993e-01 -1.98933186e-01] [ 3.66905414e-09 1.96901517e-01 -9.87850782e-02] [ 9.80479639e-10 -1.96901536e-01 9.87850555e-02] [ 8.96227603e-09 1.02749966e-01 1.98933211e-01] [-2.00093543e-02 -3.80698453e-02 -3.22882476e-02] [-2.00093438e-02 3.80698478e-02 3.22882486e-02] [ 2.00093701e-02 -3.80698544e-02 -3.22882252e-02] [ 2.00093600e-02 3.80698359e-02 3.22882356e-02] [-1.43448740e-02 -4.02956371e-02 -1.14252593e-01] [ 1.43448671e-02 -4.02956675e-02 -1.14252593e-01] [-1.43448483e-02 4.02956468e-02 1.14252577e-01] [ 1.43448378e-02 4.02956812e-02 1.14252572e-01]] Final stress: [-2.11555393e-03 -2.75892079e-03 -7.11827011e-04 1.18964712e-03 -3.58958589e-12 5.53815463e-12] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.31355800e-02 -2.29521741e-09 -3.10294797e-02] [-1.31355776e-02 6.08776729e-09 3.10294860e-02] [-7.97930093e-11 5.86324073e-02 -1.13335866e-09] [-1.66207004e-09 -5.86323997e-02 -3.11820217e-09] [ 1.62928279e-02 -8.33124781e-09 -7.08622186e-02] [-1.62928291e-02 -6.33471528e-09 7.08622210e-02] [ 1.31355889e-02 -1.77398924e-10 -3.10294848e-02] [-1.31355985e-02 -3.52266244e-09 3.10294893e-02] [ 1.54983574e-09 5.86323913e-02 5.31910491e-09] [ 2.37482176e-09 -5.86324007e-02 3.93635730e-09] [ 1.62928205e-02 -2.74439882e-10 -7.08622197e-02] [-1.62928211e-02 -3.77869315e-09 7.08622105e-02] [-1.60659276e-01 -1.24626297e-01 -1.48203830e-02] [ 1.16989254e-01 -1.21398676e-01 6.79742205e-02] [ 1.60659265e-01 -1.24626300e-01 1.48203693e-02] [-1.16989249e-01 -1.21398677e-01 -6.79742083e-02] [-1.16989259e-01 1.21398676e-01 -6.79742120e-02] [ 1.60659261e-01 1.24626298e-01 1.48203745e-02] [-1.60659269e-01 1.24626296e-01 -1.48203826e-02] [ 1.16989255e-01 1.21398674e-01 6.79742180e-02] [-1.60659256e-01 -1.24626295e-01 -1.48203763e-02] [ 1.16989256e-01 -1.21398670e-01 6.79742223e-02] [ 1.60659266e-01 -1.24626294e-01 1.48203742e-02] [-1.16989266e-01 -1.21398678e-01 -6.79742190e-02] [-1.16989254e-01 1.21398677e-01 -6.79742162e-02] [ 1.60659265e-01 1.24626297e-01 1.48203810e-02] [-1.60659272e-01 1.24626291e-01 -1.48203802e-02] [ 1.16989257e-01 1.21398669e-01 6.79742253e-02] [-3.62581920e-09 -1.01982728e-08 -2.74857453e-09] [ 1.43422212e-08 1.05029661e-08 6.80359629e-09] [ 3.80800207e-02 -2.00131287e-02 -3.22916866e-02] [ 3.80800304e-02 2.00131493e-02 -3.22916755e-02] [-3.80800286e-02 -2.00131202e-02 3.22916955e-02] [-3.80800155e-02 2.00131459e-02 3.22916737e-02] [-1.96872731e-01 1.39761569e-08 -9.87674787e-02] [-1.02742870e-01 5.80981301e-09 1.98910361e-01] [ 1.02742880e-01 3.21498721e-09 -1.98910372e-01] [ 1.96872733e-01 3.32968988e-09 9.87674809e-02] [-4.02802660e-02 -1.43340314e-02 1.14224683e-01] [ 4.02802588e-02 -1.43340231e-02 -1.14224677e-01] [-4.02802854e-02 1.43340095e-02 1.14224687e-01] [ 4.02802793e-02 1.43340151e-02 -1.14224670e-01] [ 3.80800398e-02 -2.00130600e-02 -3.22917584e-02] [ 3.80800338e-02 2.00130740e-02 -3.22917420e-02] [-3.80800276e-02 -2.00130662e-02 3.22917475e-02] [-3.80800431e-02 2.00130674e-02 3.22917323e-02] [-1.96872803e-01 -4.91811753e-09 -9.87674075e-02] [-1.02742928e-01 -5.63532006e-10 1.98910300e-01] [ 1.02742929e-01 3.50934767e-10 -1.98910315e-01] [ 1.96872816e-01 4.32787735e-09 9.87674064e-02] [-4.02801683e-02 -1.43341104e-02 1.14224665e-01] [ 4.02801626e-02 -1.43341135e-02 -1.14224660e-01] [-4.02802010e-02 1.43341016e-02 1.14224660e-01] [ 4.02802024e-02 1.43340945e-02 -1.14224668e-01]] Final stress: [-2.75870445e-03 -2.11561422e-03 -7.12131279e-04 6.34290397e-12 -1.18962736e-03 -7.70952904e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.31285968e-02 4.06812118e-09 3.10258266e-02] [-1.31286042e-02 -3.92192323e-09 -3.10258274e-02] [-5.94407214e-09 5.86358069e-02 -2.28856804e-09] [ 3.11142478e-09 -5.86358063e-02 -7.07808737e-09] [-1.62938948e-02 1.75917762e-09 -7.08603529e-02] [ 1.62938918e-02 -5.08565498e-09 7.08603511e-02] [ 1.31285958e-02 -8.15581756e-09 3.10258230e-02] [-1.31285902e-02 1.97709607e-09 -3.10258212e-02] [ 5.74302544e-09 5.86357937e-02 -4.12009662e-09] [-3.85600452e-09 -5.86358066e-02 4.42104803e-09] [-1.62938914e-02 7.65908512e-10 -7.08603372e-02] [ 1.62938891e-02 -4.67626476e-09 7.08603503e-02] [-1.16992475e-01 1.21397078e-01 6.79698805e-02] [ 1.60662008e-01 1.24624007e-01 -1.48224844e-02] [ 1.16992479e-01 1.21397080e-01 -6.79698841e-02] [-1.60662022e-01 1.24624001e-01 1.48224817e-02] [-1.60662015e-01 -1.24624007e-01 1.48224828e-02] [ 1.16992469e-01 -1.21397073e-01 -6.79698863e-02] [-1.16992474e-01 -1.21397079e-01 6.79698828e-02] [ 1.60662021e-01 -1.24624001e-01 -1.48224879e-02] [-1.16992473e-01 1.21397075e-01 6.79698802e-02] [ 1.60662017e-01 1.24623996e-01 -1.48224894e-02] [ 1.16992473e-01 1.21397079e-01 -6.79698757e-02] [-1.60662008e-01 1.24624002e-01 1.48224942e-02] [-1.60662022e-01 -1.24623996e-01 1.48224966e-02] [ 1.16992475e-01 -1.21397084e-01 -6.79698780e-02] [-1.16992474e-01 -1.21397078e-01 6.79698835e-02] [ 1.60662007e-01 -1.24624000e-01 -1.48224898e-02] [ 8.52599169e-09 1.38691561e-09 -5.40646586e-09] [-3.94448616e-09 1.09764957e-08 -1.54150356e-09] [-3.80741202e-02 -2.00115737e-02 -3.22889075e-02] [-3.80741424e-02 2.00115797e-02 -3.22889216e-02] [ 3.80741426e-02 -2.00115678e-02 3.22889204e-02] [ 3.80741229e-02 2.00115645e-02 3.22889233e-02] [-1.02743346e-01 -1.26044388e-08 -1.98912365e-01] [-1.96876894e-01 -1.40420773e-08 9.87637225e-02] [ 1.96876910e-01 1.36989915e-08 -9.87637115e-02] [ 1.02743367e-01 -1.84902594e-09 1.98912337e-01] [-4.02892929e-02 -1.43405599e-02 -1.14226108e-01] [ 4.02892676e-02 -1.43405919e-02 1.14226086e-01] [-4.02892784e-02 1.43405716e-02 -1.14226095e-01] [ 4.02892816e-02 1.43405833e-02 1.14226092e-01] [-3.80741428e-02 -2.00115975e-02 -3.22888951e-02] [-3.80741312e-02 2.00116106e-02 -3.22888802e-02] [ 3.80741227e-02 -2.00115982e-02 3.22888991e-02] [ 3.80741505e-02 2.00115947e-02 3.22889056e-02] [-1.02743313e-01 5.65525879e-09 -1.98912390e-01] [-1.96876885e-01 1.34653943e-08 9.87637470e-02] [ 1.96876895e-01 -1.43935445e-08 -9.87637377e-02] [ 1.02743337e-01 -1.17691464e-08 1.98912380e-01] [-4.02893164e-02 -1.43405203e-02 -1.14226085e-01] [ 4.02893106e-02 -1.43405400e-02 1.14226081e-01] [-4.02893154e-02 1.43405211e-02 -1.14226085e-01] [ 4.02892875e-02 1.43405588e-02 1.14226086e-01]] Final stress: [-2.75869023e-03 -2.11558715e-03 -7.12096723e-04 3.74296681e-12 1.18958975e-03 -6.80715008e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.20187397e-04 -2.85003842e-05 4.74611669e-14] [-2.20187397e-04 2.85003841e-05 9.72277814e-14] [-2.85003841e-05 2.20187397e-04 3.02431691e-14] [ 2.85003842e-05 -2.20187397e-04 5.35127498e-14] [-2.37236446e-14 -6.71233902e-14 8.38004145e-04] [ 5.89528426e-14 -2.33979502e-14 -8.38004145e-04] [ 2.20187397e-04 -2.85003842e-05 2.31841288e-15] [-2.20187397e-04 2.85003842e-05 1.99423185e-14] [-2.85003841e-05 2.20187397e-04 3.03611303e-14] [ 2.85003841e-05 -2.20187397e-04 -1.98913412e-14] [-8.15948871e-14 -3.43247007e-14 8.38004145e-04] [-3.81149105e-14 -1.00225375e-14 -8.38004145e-04] [ 2.60773409e-04 2.60773409e-04 3.81299245e-04] [-2.60773409e-04 -2.60773409e-04 3.81299245e-04] [-2.12265409e-04 2.12265409e-04 7.04947394e-04] [ 2.12265409e-04 -2.12265409e-04 7.04947394e-04] [ 2.60773409e-04 2.60773409e-04 -3.81299244e-04] [-2.60773409e-04 -2.60773409e-04 -3.81299244e-04] [ 2.12265409e-04 -2.12265409e-04 -7.04947394e-04] [-2.12265409e-04 2.12265409e-04 -7.04947394e-04] [ 2.60773409e-04 2.60773409e-04 3.81299244e-04] [-2.60773409e-04 -2.60773409e-04 3.81299244e-04] [-2.12265409e-04 2.12265409e-04 7.04947394e-04] [ 2.12265409e-04 -2.12265409e-04 7.04947394e-04] [ 2.60773409e-04 2.60773410e-04 -3.81299245e-04] [-2.60773409e-04 -2.60773409e-04 -3.81299245e-04] [ 2.12265409e-04 -2.12265409e-04 -7.04947394e-04] [-2.12265409e-04 2.12265409e-04 -7.04947394e-04] [ 2.96068725e-13 -4.38538095e-14 3.73728826e-13] [-1.62259095e-13 3.63099634e-14 -2.66684573e-13] [ 3.36080925e-04 1.07428674e-04 -4.37432350e-05] [-3.36080925e-04 -1.07428675e-04 -4.37432356e-05] [ 3.36080925e-04 1.07428674e-04 4.37432354e-05] [-3.36080925e-04 -1.07428675e-04 4.37432357e-05] [ 1.07428675e-04 3.36080925e-04 -4.37432362e-05] [ 1.07428675e-04 3.36080925e-04 4.37432359e-05] [-1.07428675e-04 -3.36080925e-04 -4.37432361e-05] [-1.07428675e-04 -3.36080925e-04 4.37432358e-05] [ 1.02488936e-03 1.02488936e-03 -1.38333789e-13] [ 2.36516125e-04 -2.36516124e-04 -4.75210149e-14] [-2.36516124e-04 2.36516124e-04 7.99690175e-14] [-1.02488936e-03 -1.02488936e-03 7.40033035e-15] [ 3.36080925e-04 1.07428675e-04 -4.37432358e-05] [-3.36080925e-04 -1.07428675e-04 -4.37432361e-05] [ 3.36080925e-04 1.07428675e-04 4.37432357e-05] [-3.36080925e-04 -1.07428675e-04 4.37432365e-05] [ 1.07428675e-04 3.36080925e-04 -4.37432356e-05] [ 1.07428675e-04 3.36080925e-04 4.37432353e-05] [-1.07428675e-04 -3.36080925e-04 -4.37432356e-05] [-1.07428674e-04 -3.36080925e-04 4.37432353e-05] [ 1.02488936e-03 1.02488936e-03 1.78934071e-13] [ 2.36516124e-04 -2.36516124e-04 1.93042841e-14] [-2.36516124e-04 2.36516125e-04 3.57530066e-14] [-1.02488936e-03 -1.02488936e-03 1.25819494e-14]] Final stress: [ 2.59834683e-05 2.59834683e-05 -2.09027860e-05 8.31215746e-18 -4.48856503e-16 2.69888494e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.01531948e-05 1.49773163e-04 -4.73709613e-15] [ 1.01531946e-05 -1.49773163e-04 3.75532938e-14] [ 1.49773163e-04 -1.01531947e-05 1.19231881e-14] [-1.49773163e-04 1.01531947e-05 2.32314168e-14] [ 2.70469411e-14 -9.68062436e-15 4.94259630e-04] [ 7.13318293e-15 -9.63118474e-15 -4.94259630e-04] [-1.01531947e-05 1.49773163e-04 -1.30875425e-14] [ 1.01531947e-05 -1.49773163e-04 -4.27453521e-14] [ 1.49773163e-04 -1.01531946e-05 -9.49795460e-15] [-1.49773163e-04 1.01531948e-05 -1.06317148e-14] [-3.52721324e-14 -1.54538852e-14 4.94259630e-04] [ 5.93362165e-15 7.84383995e-15 -4.94259630e-04] [ 1.56033838e-04 1.56033838e-04 -3.57694293e-04] [-1.56033838e-04 -1.56033838e-04 -3.57694293e-04] [-1.71625617e-04 1.71625617e-04 -1.87091182e-04] [ 1.71625617e-04 -1.71625617e-04 -1.87091182e-04] [ 1.56033838e-04 1.56033838e-04 3.57694293e-04] [-1.56033838e-04 -1.56033838e-04 3.57694293e-04] [ 1.71625617e-04 -1.71625617e-04 1.87091182e-04] [-1.71625617e-04 1.71625617e-04 1.87091182e-04] [ 1.56033838e-04 1.56033838e-04 -3.57694293e-04] [-1.56033838e-04 -1.56033838e-04 -3.57694293e-04] [-1.71625617e-04 1.71625617e-04 -1.87091182e-04] [ 1.71625617e-04 -1.71625617e-04 -1.87091182e-04] [ 1.56033838e-04 1.56033838e-04 3.57694293e-04] [-1.56033838e-04 -1.56033838e-04 3.57694293e-04] [ 1.71625617e-04 -1.71625617e-04 1.87091182e-04] [-1.71625617e-04 1.71625617e-04 1.87091182e-04] [ 1.46632706e-13 -4.55468996e-14 1.97758476e-13] [-1.12488577e-13 -1.42857939e-13 1.15273781e-14] [-3.39214610e-04 3.20136736e-05 6.30138682e-05] [ 3.39214610e-04 -3.20136736e-05 6.30138682e-05] [-3.39214610e-04 3.20136735e-05 -6.30138682e-05] [ 3.39214610e-04 -3.20136734e-05 -6.30138683e-05] [ 3.20136733e-05 -3.39214610e-04 6.30138684e-05] [ 3.20136731e-05 -3.39214610e-04 -6.30138685e-05] [-3.20136733e-05 3.39214610e-04 6.30138684e-05] [-3.20136731e-05 3.39214610e-04 -6.30138685e-05] [-1.05139916e-04 -1.05139916e-04 1.99285033e-13] [-6.38953558e-04 6.38953558e-04 -3.33934269e-14] [ 6.38953558e-04 -6.38953558e-04 1.00572328e-13] [ 1.05139916e-04 1.05139916e-04 -4.07139600e-14] [-3.39214610e-04 3.20136732e-05 6.30138685e-05] [ 3.39214610e-04 -3.20136732e-05 6.30138685e-05] [-3.39214610e-04 3.20136733e-05 -6.30138684e-05] [ 3.39214610e-04 -3.20136732e-05 -6.30138685e-05] [ 3.20136735e-05 -3.39214610e-04 6.30138683e-05] [ 3.20136736e-05 -3.39214610e-04 -6.30138681e-05] [-3.20136736e-05 3.39214610e-04 6.30138682e-05] [-3.20136734e-05 3.39214610e-04 -6.30138684e-05] [-1.05139916e-04 -1.05139916e-04 1.15620730e-13] [-6.38953557e-04 6.38953558e-04 1.21597631e-13] [ 6.38953558e-04 -6.38953558e-04 7.30316889e-14] [ 1.05139916e-04 1.05139916e-04 1.14424963e-13]] Final stress: [ 2.33395411e-05 2.33395411e-05 -1.14175937e-05 -3.32486299e-17 -2.82613354e-17 -2.61259780e-05] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.85146469e-03 -4.17416969e-13 -4.48161473e-14] [ 8.85146469e-03 -2.92210700e-13 1.29229960e-13] [ 9.14017126e-14 -5.97223176e-03 -1.02006945e-13] [-1.80133686e-14 5.97223176e-03 2.06168416e-13] [ 7.00923694e-14 -3.96038671e-13 -5.97223176e-03] [ 7.46902540e-14 -3.02008418e-13 5.97223176e-03] [-8.85146469e-03 -1.76461710e-13 3.58098035e-13] [ 8.85146469e-03 -2.37620687e-13 7.19234883e-14] [-3.00768525e-13 -5.97223176e-03 2.30383468e-13] [ 3.42165532e-14 5.97223176e-03 5.15082479e-15] [-7.41594286e-16 -6.49675798e-14 -5.97223176e-03] [-9.49934575e-15 -2.12323740e-13 5.97223176e-03] [ 1.88137581e-03 -2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 -2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 -2.87550086e-03 2.87550086e-03] [-1.88137581e-03 2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 -2.87550086e-03 -2.87550086e-03] [ 1.88137581e-03 -2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 -2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 -2.87550086e-03 2.87550086e-03] [-1.88137581e-03 2.87550086e-03 2.87550086e-03] [ 1.88137581e-03 2.87550086e-03 -2.87550086e-03] [-1.88137581e-03 -2.87550086e-03 -2.87550086e-03] [ 2.03587147e-13 -3.96876976e-13 -2.89490654e-14] [-1.29060825e-13 8.53133251e-14 -2.22458796e-13] [ 9.00390873e-14 -6.51194316e-03 -6.51194317e-03] [ 5.99034711e-14 6.51194316e-03 -6.51194317e-03] [-1.80584714e-14 -6.51194316e-03 6.51194317e-03] [ 9.98038457e-14 6.51194316e-03 6.51194317e-03] [-1.70353761e-03 -1.88515870e-13 -1.11097569e-03] [-1.70353761e-03 1.41052101e-13 1.11097569e-03] [ 1.70353761e-03 -3.08197912e-13 -1.11097569e-03] [ 1.70353761e-03 -2.73090578e-13 1.11097569e-03] [-1.70353761e-03 -1.11097569e-03 -4.67292871e-13] [ 1.70353761e-03 -1.11097569e-03 -2.73548545e-14] [-1.70353761e-03 1.11097569e-03 -1.37360609e-13] [ 1.70353761e-03 1.11097569e-03 2.77536674e-13] [-1.67769010e-13 -6.51194317e-03 -6.51194316e-03] [-1.24136812e-14 6.51194317e-03 -6.51194316e-03] [-2.15847305e-13 -6.51194317e-03 6.51194316e-03] [-1.22367828e-13 6.51194317e-03 6.51194316e-03] [-1.70353761e-03 4.17443586e-13 -1.11097570e-03] [-1.70353761e-03 2.26789507e-13 1.11097570e-03] [ 1.70353761e-03 6.59861055e-13 -1.11097569e-03] [ 1.70353761e-03 -1.73680514e-14 1.11097570e-03] [-1.70353761e-03 -1.11097569e-03 -2.70343691e-13] [ 1.70353761e-03 -1.11097569e-03 -1.96391914e-13] [-1.70353761e-03 1.11097569e-03 -5.17670887e-13] [ 1.70353761e-03 1.11097569e-03 -6.09837701e-14]] Final stress: [ 3.30396173e-04 -4.39754997e-05 -4.39754997e-05 2.87639220e-16 1.52964210e-16 -2.67687367e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.98592628e-04 1.58428392e-13 -1.53485297e-13] [-3.98592627e-04 1.89792626e-13 -5.67879077e-14] [ 1.73765082e-13 3.98592628e-04 -1.47980586e-14] [ 2.90378832e-13 -3.98592628e-04 -1.40276679e-13] [ 1.44884972e-13 1.48587739e-13 -2.26038226e-04] [ 2.14661622e-13 1.55597757e-13 2.26038225e-04] [ 3.98592627e-04 -5.64201463e-14 2.83879691e-13] [-3.98592627e-04 -7.26749390e-14 2.05670021e-13] [-8.73563374e-14 3.98592627e-04 9.61417698e-14] [-1.23277256e-13 -3.98592627e-04 8.22657175e-14] [-1.06431790e-13 -7.95087356e-14 -2.26038225e-04] [-8.32832067e-14 4.28981803e-14 2.26038225e-04] [ 6.84270765e-05 6.84270764e-05 3.01204995e-04] [-6.84270763e-05 -6.84270762e-05 3.01204995e-04] [-6.84270761e-05 6.84270763e-05 -3.01204996e-04] [ 6.84270761e-05 -6.84270761e-05 -3.01204996e-04] [ 6.84270762e-05 6.84270763e-05 -3.01204996e-04] [-6.84270759e-05 -6.84270761e-05 -3.01204996e-04] [ 6.84270765e-05 -6.84270763e-05 3.01204995e-04] [-6.84270762e-05 6.84270765e-05 3.01204995e-04] [ 6.84270761e-05 6.84270764e-05 3.01204995e-04] [-6.84270764e-05 -6.84270764e-05 3.01204995e-04] [-6.84270766e-05 6.84270762e-05 -3.01204995e-04] [ 6.84270761e-05 -6.84270764e-05 -3.01204996e-04] [ 6.84270762e-05 6.84270762e-05 -3.01204996e-04] [-6.84270765e-05 -6.84270765e-05 -3.01204996e-04] [ 6.84270761e-05 -6.84270764e-05 3.01204995e-04] [-6.84270764e-05 6.84270761e-05 3.01204995e-04] [ 6.05904216e-14 1.64313008e-13 5.81507065e-13] [ 1.18320284e-13 -1.92997009e-13 -1.37427807e-13] [ 3.14193116e-13 3.40480579e-05 2.38602338e-04] [ 1.71937117e-13 -3.40480575e-05 2.38602338e-04] [ 5.90423543e-13 3.40480575e-05 -2.38602339e-04] [ 3.30849931e-13 -3.40480567e-05 -2.38602339e-04] [ 3.40480583e-05 -2.12829754e-13 2.38602338e-04] [ 3.40480569e-05 5.12504969e-13 -2.38602339e-04] [-3.40480574e-05 -4.78575513e-14 2.38602338e-04] [-3.40480567e-05 5.76401774e-13 -2.38602339e-04] [-3.72403972e-05 -3.72403980e-05 5.44453371e-13] [ 3.72403975e-05 -3.72403976e-05 -1.27857794e-13] [-3.72403964e-05 3.72403986e-05 -3.43561984e-14] [ 3.72403975e-05 3.72403976e-05 -4.74929124e-13] [-2.50648460e-13 3.40480565e-05 2.38602339e-04] [-5.74501384e-14 -3.40480577e-05 2.38602339e-04] [-6.19009618e-13 3.40480574e-05 -2.38602338e-04] [-5.17723451e-13 -3.40480570e-05 -2.38602339e-04] [ 3.40480569e-05 -8.05340757e-14 2.38602339e-04] [ 3.40480575e-05 1.12686986e-13 -2.38602338e-04] [-3.40480582e-05 -5.93525663e-13 2.38602338e-04] [-3.40480578e-05 -2.68378635e-13 -2.38602338e-04] [-3.72403974e-05 -3.72403979e-05 5.48027128e-13] [ 3.72403970e-05 -3.72403980e-05 6.00004973e-13] [-3.72403979e-05 3.72403971e-05 7.20762890e-13] [ 3.72403972e-05 3.72403974e-05 7.44156906e-13]] Final stress: [ 5.99757429e-06 5.99757429e-06 3.57837242e-05 -1.26342910e-16 -2.82609141e-17 -1.11381250e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.94993961e-02 4.02470158e-13 1.63680224e-12] [-1.94993961e-02 -1.18186017e-12 1.22271637e-12] [ 5.79291823e-13 -1.83231910e-02 1.57397836e-12] [ 1.89895322e-12 1.83231910e-02 1.41400780e-12] [ 5.44195331e-13 2.00901362e-13 4.09891224e-04] [ 1.02931552e-12 -2.00811590e-13 -4.09891222e-04] [ 1.94993961e-02 8.13881514e-13 1.45335114e-13] [-1.94993961e-02 -6.40117299e-14 -1.42897267e-14] [ 4.72981463e-13 -1.83231910e-02 -3.75412417e-13] [ 1.97864294e-13 1.83231910e-02 -3.83019998e-13] [-6.14121601e-13 -7.11679826e-13 4.09891222e-04] [ 1.67032620e-13 1.04424147e-13 -4.09891222e-04] [ 2.21994659e-03 -2.22398070e-03 -1.27380070e-04] [-2.21994659e-03 2.22398070e-03 -1.27380069e-04] [-2.21994659e-03 -2.22398070e-03 1.27380070e-04] [ 2.21994659e-03 2.22398070e-03 1.27380070e-04] [ 2.21994659e-03 -2.22398070e-03 1.27380070e-04] [-2.21994659e-03 2.22398070e-03 1.27380068e-04] [ 2.21994659e-03 2.22398069e-03 -1.27380071e-04] [-2.21994659e-03 -2.22398070e-03 -1.27380070e-04] [ 2.21994659e-03 -2.22398069e-03 -1.27380072e-04] [-2.21994659e-03 2.22398070e-03 -1.27380072e-04] [-2.21994659e-03 -2.22398070e-03 1.27380069e-04] [ 2.21994659e-03 2.22398070e-03 1.27380069e-04] [ 2.21994659e-03 -2.22398069e-03 1.27380068e-04] [-2.21994659e-03 2.22398070e-03 1.27380068e-04] [ 2.21994659e-03 2.22398070e-03 -1.27380073e-04] [-2.21994659e-03 -2.22398070e-03 -1.27380073e-04] [ 7.81930076e-13 -1.57018842e-12 2.29083419e-12] [-7.18028501e-13 1.65539024e-14 -1.95182477e-13] [ 1.54476432e-12 8.98175833e-05 -4.36884522e-06] [ 1.01931658e-12 -8.98175821e-05 -4.36884380e-06] [-6.99242747e-13 8.98175800e-05 4.36884461e-06] [ 3.06751152e-14 -8.98175797e-05 4.36884445e-06] [ 2.93091185e-04 -2.41240361e-12 3.19126585e-04] [ 2.93091181e-04 -3.00018517e-12 -3.19126585e-04] [-2.93091184e-04 -2.14505670e-12 3.19126584e-04] [-2.93091179e-04 -1.66062650e-12 -3.19126585e-04] [-2.14672774e-04 -1.03095357e-04 -1.31750166e-12] [ 2.14672776e-04 -1.03095355e-04 1.13525508e-13] [-2.14672777e-04 1.03095356e-04 2.41452691e-13] [ 2.14672777e-04 1.03095354e-04 2.56822341e-13] [-1.04043336e-12 8.98175814e-05 -4.36884498e-06] [-7.95254921e-13 -8.98175773e-05 -4.36884208e-06] [-6.62219411e-13 8.98175841e-05 4.36884630e-06] [-9.75072453e-13 -8.98175805e-05 4.36884524e-06] [ 2.93091179e-04 -1.78607128e-13 3.19126587e-04] [ 2.93091181e-04 -5.08437259e-13 -3.19126586e-04] [-2.93091178e-04 1.84990478e-13 3.19126588e-04] [-2.93091182e-04 2.48523858e-13 -3.19126585e-04] [-2.14672775e-04 -1.03095357e-04 -2.00570762e-13] [ 2.14672774e-04 -1.03095357e-04 2.94512295e-13] [-2.14672773e-04 1.03095359e-04 2.43301180e-12] [ 2.14672772e-04 1.03095357e-04 -1.17068681e-13]] Final stress: [-1.80793897e-04 1.75212961e-04 -6.33608542e-07 -1.49794005e-15 -6.69999823e-16 1.70908143e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.83231819e-02 -1.80286949e-12 1.78366219e-12] [ 1.83231819e-02 -1.18363652e-12 1.86134441e-12] [ 1.32274920e-12 1.94993863e-02 1.79877380e-12] [ 2.68823852e-12 -1.94993863e-02 2.05152562e-12] [ 1.55049498e-12 2.49936356e-13 4.09891027e-04] [ 1.51448298e-12 -4.30600000e-13 -4.09891025e-04] [-1.83231819e-02 -1.08367308e-12 -6.04722262e-13] [ 1.83231819e-02 -1.10257853e-12 1.16214640e-13] [-2.78216686e-13 1.94993863e-02 -1.15997828e-13] [ 7.51764102e-14 -1.94993863e-02 -1.56829040e-13] [-4.90162164e-13 -2.08421894e-13 4.09891024e-04] [-2.46861993e-13 2.45497184e-14 -4.09891025e-04] [-2.22397960e-03 2.21994544e-03 -1.27379969e-04] [ 2.22397960e-03 -2.21994544e-03 -1.27379970e-04] [ 2.22397960e-03 2.21994544e-03 1.27379972e-04] [-2.22397960e-03 -2.21994544e-03 1.27379970e-04] [-2.22397960e-03 2.21994544e-03 1.27379971e-04] [ 2.22397960e-03 -2.21994544e-03 1.27379970e-04] [-2.22397960e-03 -2.21994544e-03 -1.27379970e-04] [ 2.22397960e-03 2.21994544e-03 -1.27379971e-04] [-2.22397960e-03 2.21994544e-03 -1.27379973e-04] [ 2.22397960e-03 -2.21994544e-03 -1.27379972e-04] [ 2.22397960e-03 2.21994544e-03 1.27379969e-04] [-2.22397960e-03 -2.21994544e-03 1.27379969e-04] [-2.22397960e-03 2.21994544e-03 1.27379969e-04] [ 2.22397960e-03 -2.21994544e-03 1.27379968e-04] [-2.22397960e-03 -2.21994544e-03 -1.27379973e-04] [ 2.22397960e-03 2.21994544e-03 -1.27379972e-04] [ 4.30092073e-12 -2.06881734e-12 2.50388599e-12] [-1.85155277e-12 -2.12864067e-13 4.81130000e-13] [-4.72399897e-13 2.93088341e-04 3.19128114e-04] [ 8.95894470e-13 -2.93088340e-04 3.19128114e-04] [ 2.45086590e-12 2.93088338e-04 -3.19128113e-04] [-2.93185615e-14 -2.93088338e-04 -3.19128114e-04] [ 8.98198534e-05 -1.81721305e-12 -4.37077419e-06] [ 8.98198495e-05 -1.60161467e-12 4.37077352e-06] [-8.98198513e-05 -8.09137479e-13 -4.37077555e-06] [-8.98198496e-05 -2.18983859e-12 4.37077516e-06] [-1.03091019e-04 -2.14677011e-04 1.42019729e-12] [ 1.03091018e-04 -2.14677016e-04 4.14380336e-13] [-1.03091020e-04 2.14677012e-04 1.43358936e-12] [ 1.03091017e-04 2.14677015e-04 -1.48003138e-13] [ 2.22874930e-12 2.93088338e-04 3.19128114e-04] [-7.98908249e-13 -2.93088335e-04 3.19128115e-04] [-4.86050002e-13 2.93088340e-04 -3.19128114e-04] [-5.18139351e-13 -2.93088337e-04 -3.19128115e-04] [ 8.98198503e-05 9.40478724e-13 -4.37077393e-06] [ 8.98198525e-05 -9.64667582e-13 4.37077607e-06] [-8.98198517e-05 -2.18390193e-12 -4.37077338e-06] [-8.98198507e-05 -8.52422733e-13 4.37077027e-06] [-1.03091016e-04 -2.14677016e-04 1.97710067e-13] [ 1.03091018e-04 -2.14677015e-04 -7.18764952e-14] [-1.03091017e-04 2.14677017e-04 -1.09937158e-13] [ 1.03091016e-04 2.14677014e-04 1.84049173e-12]] Final stress: [ 1.75212881e-04 -1.80793808e-04 -6.33606104e-07 6.35086681e-16 -5.23697132e-16 -1.28181108e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-6.46728241e-04 -3.54668551e-14 1.21343907e-15] [ 6.46728241e-04 2.16771046e-14 -6.90836277e-14] [-1.04113766e-14 -6.46728240e-04 1.45286994e-13] [-3.99680289e-15 6.46728241e-04 2.75057754e-14] [ 2.73409767e-14 -3.53957315e-14 -1.08948738e-04] [ 4.95714580e-14 -3.91353616e-14 1.08948738e-04] [-6.46728240e-04 1.68218738e-13 -4.69750107e-14] [ 6.46728240e-04 7.39759816e-14 2.53180639e-14] [-5.48918550e-14 -6.46728240e-04 -9.67807465e-14] [-3.44338273e-14 6.46728240e-04 -2.99360339e-14] [ 8.04612453e-14 5.17715147e-14 -1.08948739e-04] [ 8.89492473e-14 -1.35482869e-14 1.08948739e-04] [-2.11358757e-05 -2.11358757e-05 -2.96074538e-04] [ 2.11358756e-05 2.11358755e-05 -2.96074538e-04] [ 2.11358757e-05 -2.11358756e-05 2.96074538e-04] [-2.11358756e-05 2.11358757e-05 2.96074538e-04] [-2.11358757e-05 -2.11358756e-05 2.96074538e-04] [ 2.11358756e-05 2.11358753e-05 2.96074538e-04] [-2.11358756e-05 2.11358757e-05 -2.96074538e-04] [ 2.11358757e-05 -2.11358756e-05 -2.96074538e-04] [-2.11358760e-05 -2.11358757e-05 -2.96074537e-04] [ 2.11358758e-05 2.11358757e-05 -2.96074538e-04] [ 2.11358757e-05 -2.11358757e-05 2.96074537e-04] [-2.11358757e-05 2.11358757e-05 2.96074538e-04] [-2.11358759e-05 -2.11358757e-05 2.96074537e-04] [ 2.11358757e-05 2.11358758e-05 2.96074538e-04] [-2.11358760e-05 2.11358757e-05 -2.96074538e-04] [ 2.11358758e-05 -2.11358758e-05 -2.96074537e-04] [-1.36279876e-14 -1.21652688e-13 3.23935323e-13] [ 1.34632756e-13 1.26655350e-13 6.23633090e-14] [ 4.90718577e-14 -3.32643989e-04 8.93397601e-05] [ 2.10772372e-13 3.32643989e-04 8.93397600e-05] [-3.29878486e-13 -3.32643989e-04 -8.93397604e-05] [-2.12130660e-13 3.32643989e-04 -8.93397602e-05] [-3.32643989e-04 -1.67643677e-14 8.93397600e-05] [-3.32643989e-04 7.36199296e-14 -8.93397602e-05] [ 3.32643989e-04 2.33531944e-13 8.93397598e-05] [ 3.32643989e-04 -3.40040496e-14 -8.93397600e-05] [ 7.28158930e-05 7.28158931e-05 -1.51878510e-13] [-7.28158929e-05 7.28158931e-05 2.28065830e-13] [ 7.28158928e-05 -7.28158932e-05 -2.32149369e-13] [-7.28158928e-05 -7.28158931e-05 1.92786759e-13] [-2.25661503e-14 -3.32643989e-04 8.93397602e-05] [-9.15595724e-14 3.32643989e-04 8.93397600e-05] [ 6.07569550e-14 -3.32643989e-04 -8.93397601e-05] [ 4.81750057e-14 3.32643989e-04 -8.93397600e-05] [-3.32643989e-04 -2.31665811e-14 8.93397601e-05] [-3.32643989e-04 1.52219817e-14 -8.93397605e-05] [ 3.32643989e-04 1.82564901e-13 8.93397606e-05] [ 3.32643988e-04 2.22425810e-13 -8.93397600e-05] [ 7.28158930e-05 7.28158927e-05 1.60829903e-13] [-7.28158927e-05 7.28158929e-05 2.09874639e-14] [ 7.28158931e-05 -7.28158924e-05 6.95156010e-14] [-7.28158929e-05 -7.28158925e-05 4.55321544e-15]] Final stress: [-5.83546384e-06 -5.83546384e-06 -3.81640977e-05 1.03084576e-16 -4.98796335e-18 -9.80966126e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 7.07330996e-04 1.36075179e-13 1.83100063e-15] [-7.07330996e-04 -1.45439216e-14 -1.27009514e-13] [ 7.50935772e-14 -2.12430706e-04 9.39886190e-14] [ 2.15244489e-13 2.12430706e-04 5.29298827e-14] [-6.38573396e-14 -7.31528553e-14 7.07330996e-04] [ 2.91711100e-14 -8.04911693e-16 -7.07330997e-04] [ 7.07330995e-04 3.82463158e-15 5.84771436e-16] [-7.07330995e-04 2.22962707e-13 -9.76848448e-14] [-4.38104414e-14 -2.12430704e-04 -2.59027385e-14] [-1.32267461e-13 2.12430705e-04 -1.35371004e-14] [ 3.18911564e-14 1.11251368e-13 7.07330995e-04] [-9.23146108e-14 1.98517867e-13 -7.07330995e-04] [ 2.00364510e-04 5.82316243e-04 2.00364510e-04] [-2.00364510e-04 -5.82316243e-04 2.00364510e-04] [-2.00364510e-04 5.82316243e-04 -2.00364510e-04] [ 2.00364510e-04 -5.82316243e-04 -2.00364510e-04] [ 2.00364510e-04 5.82316243e-04 -2.00364510e-04] [-2.00364510e-04 -5.82316243e-04 -2.00364510e-04] [ 2.00364510e-04 -5.82316243e-04 2.00364511e-04] [-2.00364510e-04 5.82316243e-04 2.00364510e-04] [ 2.00364510e-04 5.82316242e-04 2.00364510e-04] [-2.00364510e-04 -5.82316243e-04 2.00364511e-04] [-2.00364511e-04 5.82316243e-04 -2.00364510e-04] [ 2.00364511e-04 -5.82316243e-04 -2.00364511e-04] [ 2.00364510e-04 5.82316243e-04 -2.00364510e-04] [-2.00364510e-04 -5.82316243e-04 -2.00364511e-04] [ 2.00364510e-04 -5.82316243e-04 2.00364511e-04] [-2.00364510e-04 5.82316242e-04 2.00364510e-04] [-8.81517082e-14 5.68073366e-13 6.07847106e-13] [-4.47023061e-13 -8.88401255e-14 -4.57133450e-15] [ 5.73985304e-14 1.31555640e-03 -2.27976162e-04] [-5.76608206e-13 -1.31555640e-03 -2.27976163e-04] [ 1.46351681e-13 1.31555640e-03 2.27976163e-04] [-2.00912204e-13 -1.31555640e-03 2.27976163e-04] [ 1.56059416e-04 -2.65676370e-13 1.56059416e-04] [ 1.56059415e-04 -4.17608656e-13 -1.56059416e-04] [-1.56059417e-04 -6.09165496e-14 1.56059415e-04] [-1.56059415e-04 -1.33962286e-13 -1.56059417e-04] [-2.27976164e-04 1.31555640e-03 1.41109346e-13] [ 2.27976164e-04 1.31555640e-03 -3.48188492e-13] [-2.27976163e-04 -1.31555640e-03 -1.36678863e-13] [ 2.27976163e-04 -1.31555640e-03 -6.53730542e-14] [-2.58152874e-13 1.31555640e-03 -2.27976163e-04] [-1.64291324e-14 -1.31555640e-03 -2.27976163e-04] [ 2.90601310e-13 1.31555640e-03 2.27976164e-04] [ 2.74255011e-13 -1.31555640e-03 2.27976164e-04] [ 1.56059416e-04 -3.19001788e-13 1.56059416e-04] [ 1.56059416e-04 1.45558695e-13 -1.56059417e-04] [-1.56059417e-04 -3.93728886e-13 1.56059416e-04] [-1.56059416e-04 -2.09272270e-13 -1.56059418e-04] [-2.27976163e-04 1.31555640e-03 5.16127493e-13] [ 2.27976164e-04 1.31555640e-03 2.31347802e-13] [-2.27976163e-04 -1.31555640e-03 4.59282853e-13] [ 2.27976163e-04 -1.31555640e-03 -1.44734485e-13]] Final stress: [-8.90894517e-06 3.56914211e-05 -8.90894517e-06 5.15346081e-17 3.17519682e-16 -1.94501586e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.94993961e-02 7.76375492e-14 9.11198634e-13] [-1.94993961e-02 -3.74311693e-13 1.03467235e-12] [ 8.66363838e-13 4.09891225e-04 1.38631337e-12] [ 1.25455202e-12 -4.09891223e-04 1.54387614e-12] [ 7.87293408e-13 -2.13544460e-13 -1.83231910e-02] [ 1.76056392e-12 2.64011035e-13 1.83231910e-02] [ 1.94993961e-02 -3.13481446e-13 1.74398908e-13] [-1.94993961e-02 -1.86758161e-13 -4.32476155e-13] [ 3.40764743e-14 4.09891226e-04 -1.62787282e-13] [ 4.33040322e-13 -4.09891224e-04 -6.97910899e-14] [-4.22718718e-13 -3.46863788e-13 -1.83231910e-02] [ 2.79733268e-13 -9.58254208e-14 1.83231910e-02] [ 2.21994659e-03 -1.27380069e-04 -2.22398070e-03] [-2.21994659e-03 1.27380070e-04 -2.22398070e-03] [-2.21994659e-03 -1.27380070e-04 2.22398070e-03] [ 2.21994659e-03 1.27380069e-04 2.22398070e-03] [ 2.21994659e-03 -1.27380070e-04 2.22398070e-03] [-2.21994659e-03 1.27380071e-04 2.22398070e-03] [ 2.21994659e-03 1.27380069e-04 -2.22398070e-03] [-2.21994659e-03 -1.27380070e-04 -2.22398070e-03] [ 2.21994659e-03 -1.27380070e-04 -2.22398070e-03] [-2.21994659e-03 1.27380069e-04 -2.22398070e-03] [-2.21994659e-03 -1.27380069e-04 2.22398070e-03] [ 2.21994659e-03 1.27380069e-04 2.22398070e-03] [ 2.21994659e-03 -1.27380069e-04 2.22398069e-03] [-2.21994659e-03 1.27380070e-04 2.22398069e-03] [ 2.21994659e-03 1.27380070e-04 -2.22398070e-03] [-2.21994659e-03 -1.27380069e-04 -2.22398070e-03] [ 2.13218332e-12 -1.56633040e-12 2.18899898e-12] [-8.90914079e-13 -2.47515983e-13 -7.59728858e-13] [ 1.63535852e-13 -4.36884275e-06 8.98175812e-05] [ 3.50310059e-14 4.36884557e-06 8.98175817e-05] [-7.69766195e-14 -4.36884776e-06 -8.98175819e-05] [ 2.21480820e-13 4.36884653e-06 -8.98175804e-05] [-2.14672771e-04 -1.76469950e-12 -1.03095357e-04] [-2.14672776e-04 -2.99520998e-12 1.03095355e-04] [ 2.14672773e-04 -2.33131049e-12 -1.03095356e-04] [ 2.14672778e-04 -6.92543245e-13 1.03095355e-04] [ 2.93091178e-04 3.19126591e-04 1.35069733e-12] [-2.93091178e-04 3.19126588e-04 -4.78459286e-13] [ 2.93091179e-04 -3.19126588e-04 9.45951650e-13] [-2.93091178e-04 -3.19126588e-04 1.54478340e-12] [-1.21988097e-12 -4.36884557e-06 8.98175824e-05] [ 2.37784965e-12 4.36884747e-06 8.98175827e-05] [-5.30614181e-13 -4.36884277e-06 -8.98175785e-05] [-3.12604977e-13 4.36884340e-06 -8.98175784e-05] [-2.14672778e-04 -3.74820730e-13 -1.03095354e-04] [-2.14672777e-04 -7.79844722e-13 1.03095354e-04] [ 2.14672777e-04 -4.54359207e-13 -1.03095355e-04] [ 2.14672778e-04 -1.20698417e-12 1.03095354e-04] [ 2.93091180e-04 3.19126587e-04 -1.50690525e-13] [-2.93091181e-04 3.19126586e-04 4.51654583e-13] [ 2.93091181e-04 -3.19126584e-04 2.33371851e-12] [-2.93091184e-04 -3.19126585e-04 1.48245131e-13]] Final stress: [-1.80793898e-04 -6.33608542e-07 1.75212961e-04 -1.30674903e-15 -1.08563247e-15 2.12803914e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.83231910e-02 -6.34268246e-13 3.43574127e-13] [ 1.83231910e-02 -5.34100542e-13 1.36113343e-13] [ 5.19996806e-13 4.09891222e-04 4.75157240e-13] [ 1.59411373e-12 -4.09891223e-04 1.06686882e-12] [ 7.49636464e-13 -2.52011953e-14 1.94993961e-02] [ 7.21062099e-13 6.01241279e-13 -1.94993961e-02] [-1.83231910e-02 -3.36934040e-13 1.57118405e-13] [ 1.83231910e-02 1.16393440e-13 2.28751371e-13] [ 2.92143480e-13 4.09891225e-04 -7.24506518e-13] [ 1.96457867e-13 -4.09891223e-04 -6.63952100e-13] [ 8.15970555e-14 -1.20565921e-12 1.94993961e-02] [ 1.42878764e-13 -7.63881878e-13 -1.94993961e-02] [-2.22398069e-03 -1.27380070e-04 2.21994659e-03] [ 2.22398069e-03 1.27380070e-04 2.21994659e-03] [ 2.22398069e-03 -1.27380069e-04 -2.21994659e-03] [-2.22398070e-03 1.27380069e-04 -2.21994659e-03] [-2.22398070e-03 -1.27380069e-04 -2.21994659e-03] [ 2.22398070e-03 1.27380071e-04 -2.21994659e-03] [-2.22398070e-03 1.27380069e-04 2.21994659e-03] [ 2.22398069e-03 -1.27380068e-04 2.21994659e-03] [-2.22398070e-03 -1.27380069e-04 2.21994659e-03] [ 2.22398069e-03 1.27380069e-04 2.21994659e-03] [ 2.22398069e-03 -1.27380069e-04 -2.21994659e-03] [-2.22398070e-03 1.27380070e-04 -2.21994659e-03] [-2.22398070e-03 -1.27380069e-04 -2.21994659e-03] [ 2.22398069e-03 1.27380070e-04 -2.21994659e-03] [-2.22398070e-03 1.27380068e-04 2.21994659e-03] [ 2.22398069e-03 -1.27380069e-04 2.21994659e-03] [ 2.87486701e-12 4.67126338e-14 2.09970930e-12] [-8.19077445e-13 -1.36731629e-12 -8.04433009e-13] [ 2.73647771e-12 3.19126586e-04 2.93091180e-04] [ 4.63653421e-13 -3.19126589e-04 2.93091178e-04] [ 2.75893024e-12 3.19126585e-04 -2.93091181e-04] [-4.64623132e-13 -3.19126587e-04 -2.93091177e-04] [-1.03095355e-04 -3.02091685e-12 -2.14672773e-04] [-1.03095357e-04 -2.95176210e-12 2.14672776e-04] [ 1.03095355e-04 -3.72753911e-13 -2.14672775e-04] [ 1.03095358e-04 -1.16106430e-12 2.14672777e-04] [ 8.98175791e-05 -4.36884205e-06 -7.63278329e-13] [-8.98175795e-05 -4.36884608e-06 4.07535117e-13] [ 8.98175816e-05 4.36884757e-06 7.70598862e-13] [-8.98175814e-05 4.36884673e-06 -9.46168491e-13] [-1.05523966e-12 3.19126585e-04 2.93091183e-04] [-1.26599686e-13 -3.19126587e-04 2.93091180e-04] [-8.55969375e-13 3.19126585e-04 -2.93091182e-04] [ 3.08404344e-13 -3.19126586e-04 -2.93091178e-04] [-1.03095354e-04 2.57346487e-12 -2.14672777e-04] [-1.03095354e-04 2.36470999e-14 2.14672777e-04] [ 1.03095354e-04 -9.30009542e-13 -2.14672777e-04] [ 1.03095356e-04 -2.77977294e-13 2.14672776e-04] [ 8.98175798e-05 -4.36884528e-06 4.51877077e-13] [-8.98175759e-05 -4.36884317e-06 -4.16863741e-14] [ 8.98175816e-05 4.36884505e-06 3.88141430e-13] [-8.98175861e-05 4.36884924e-06 3.89010872e-13]] Final stress: [ 1.75212961e-04 -6.33608537e-07 -1.80793897e-04 -2.31590509e-15 5.90198355e-16 -2.22779097e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.62362326e-04 -1.09919018e-13 -1.54000944e-13] [ 5.62362326e-04 -1.35419453e-13 -5.05151476e-14] [-8.94995883e-14 1.74280340e-05 8.76668529e-14] [ 9.24260668e-15 -1.74280344e-05 6.00908212e-14] [-2.92653488e-13 -4.75097392e-14 -5.62362327e-04] [-2.96873637e-13 1.01307851e-13 5.62362326e-04] [-5.62362327e-04 -3.82896839e-14 5.36274217e-14] [ 5.62362326e-04 -6.28234444e-14 8.54673378e-14] [-2.83518868e-14 1.74280345e-05 -1.12499988e-13] [-6.84660661e-14 -1.74280342e-05 -7.72716862e-14] [ 8.11985028e-14 -4.52663308e-14 -5.62362327e-04] [ 3.94931483e-14 -9.51053472e-14 5.62362326e-04] [-3.46553556e-05 -3.02941327e-04 -3.46553556e-05] [ 3.46553555e-05 3.02941327e-04 -3.46553556e-05] [ 3.46553556e-05 -3.02941326e-04 3.46553557e-05] [-3.46553556e-05 3.02941327e-04 3.46553556e-05] [-3.46553555e-05 -3.02941326e-04 3.46553556e-05] [ 3.46553557e-05 3.02941327e-04 3.46553559e-05] [-3.46553556e-05 3.02941327e-04 -3.46553556e-05] [ 3.46553556e-05 -3.02941327e-04 -3.46553556e-05] [-3.46553561e-05 -3.02941326e-04 -3.46553559e-05] [ 3.46553557e-05 3.02941327e-04 -3.46553553e-05] [ 3.46553557e-05 -3.02941326e-04 3.46553556e-05] [-3.46553552e-05 3.02941327e-04 3.46553557e-05] [-3.46553553e-05 -3.02941326e-04 3.46553558e-05] [ 3.46553555e-05 3.02941327e-04 3.46553556e-05] [-3.46553554e-05 3.02941327e-04 -3.46553559e-05] [ 3.46553558e-05 -3.02941327e-04 -3.46553552e-05] [ 1.46882506e-13 -2.42861287e-14 2.76861867e-13] [-2.89169730e-13 -3.43992079e-13 1.92476797e-13] [-2.51021426e-13 -1.25239695e-05 -2.39483283e-04] [-1.38125622e-13 1.25239688e-05 -2.39483283e-04] [-3.31209019e-13 -1.25239688e-05 2.39483283e-04] [-2.55425889e-13 1.25239687e-05 2.39483283e-04] [ 7.05612267e-05 -3.76809695e-13 7.05612262e-05] [ 7.05612263e-05 5.53689039e-14 -7.05612260e-05] [-7.05612268e-05 -7.12277459e-14 7.05612254e-05] [-7.05612267e-05 -2.63787256e-13 -7.05612258e-05] [-2.39483285e-04 -1.25239676e-05 -2.58904009e-13] [ 2.39483284e-04 -1.25239674e-05 3.69079767e-14] [-2.39483284e-04 1.25239676e-05 -8.06212735e-14] [ 2.39483284e-04 1.25239676e-05 -6.08870593e-14] [ 2.73383746e-14 -1.25239679e-05 -2.39483284e-04] [-1.62414786e-13 1.25239677e-05 -2.39483284e-04] [ 5.25499783e-14 -1.25239675e-05 2.39483285e-04] [ 7.21124549e-14 1.25239676e-05 2.39483284e-04] [ 7.05612256e-05 1.40276630e-15 7.05612269e-05] [ 7.05612254e-05 2.91515943e-14 -7.05612273e-05] [-7.05612250e-05 -1.08952777e-13 7.05612273e-05] [-7.05612254e-05 2.35220263e-13 -7.05612274e-05] [-2.39483283e-04 -1.25239689e-05 1.31703575e-13] [ 2.39483284e-04 -1.25239686e-05 -7.71607204e-14] [-2.39483283e-04 1.25239687e-05 -2.09069290e-13] [ 2.39483284e-04 1.25239683e-05 -8.47039452e-14]] Final stress: [-5.84402344e-06 -3.80280448e-05 -5.84402344e-06 -2.26121005e-16 1.84554644e-16 -5.98555602e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.83443454e-04 -1.68133736e-14 7.16115535e-14] [-4.83443454e-04 3.94129174e-14 1.01280095e-13] [ 5.87147518e-14 -4.06635706e-07 -5.89776159e-05] [-1.94566585e-14 4.06635975e-07 5.89776159e-05] [ 1.84029875e-13 -5.89776159e-05 -4.06635596e-07] [ 1.52655666e-15 5.89776160e-05 4.06635770e-07] [ 4.83443454e-04 3.01733465e-14 -4.08954124e-14] [-4.83443454e-04 -1.64928834e-15 -9.74146207e-14] [-3.22680251e-14 -4.06635872e-07 -5.89776160e-05] [ 8.07643882e-15 4.06635907e-07 5.89776160e-05] [-1.46790132e-13 -5.89776160e-05 -4.06636160e-07] [-2.99326536e-14 5.89776160e-05 4.06636042e-07] [ 2.42980108e-04 1.36441133e-04 1.36441133e-04] [ 3.88645149e-04 -1.72764584e-04 1.72764584e-04] [ 3.88645149e-04 1.72764584e-04 -1.72764583e-04] [ 2.42980108e-04 -1.36441133e-04 -1.36441133e-04] [-3.88645148e-04 1.72764584e-04 -1.72764584e-04] [-2.42980108e-04 -1.36441133e-04 -1.36441133e-04] [-3.88645148e-04 -1.72764584e-04 1.72764584e-04] [-2.42980108e-04 1.36441133e-04 1.36441133e-04] [ 2.42980108e-04 1.36441133e-04 1.36441133e-04] [ 3.88645148e-04 -1.72764584e-04 1.72764584e-04] [ 3.88645148e-04 1.72764584e-04 -1.72764584e-04] [ 2.42980108e-04 -1.36441133e-04 -1.36441133e-04] [-3.88645149e-04 1.72764584e-04 -1.72764584e-04] [-2.42980108e-04 -1.36441133e-04 -1.36441133e-04] [-3.88645149e-04 -1.72764584e-04 1.72764584e-04] [-2.42980108e-04 1.36441133e-04 1.36441133e-04] [ 7.92421684e-14 -1.64479541e-13 -2.54851695e-13] [-3.92539733e-13 1.65308206e-13 -7.77306596e-14] [ 1.44662060e-13 5.94815146e-04 5.94815146e-04] [ 9.59822499e-14 1.20405149e-04 -1.20405149e-04] [ 2.18918633e-13 -1.20405149e-04 1.20405149e-04] [-4.48981130e-14 -5.94815146e-04 -5.94815146e-04] [ 1.23436268e-04 3.61150834e-04 -2.28243806e-05] [ 1.23436268e-04 -3.61150835e-04 2.28243806e-05] [-1.23436268e-04 3.61150834e-04 -2.28243805e-05] [-1.23436267e-04 -3.61150834e-04 2.28243801e-05] [ 1.23436269e-04 -2.28243813e-05 3.61150834e-04] [-1.23436269e-04 -2.28243813e-05 3.61150834e-04] [ 1.23436269e-04 2.28243812e-05 -3.61150834e-04] [-1.23436268e-04 2.28243810e-05 -3.61150834e-04] [-2.85033282e-13 5.94815145e-04 5.94815146e-04] [-1.72597180e-13 1.20405150e-04 -1.20405148e-04] [-1.16946817e-13 -1.20405149e-04 1.20405149e-04] [ 3.05476131e-14 -5.94815145e-04 -5.94815147e-04] [ 1.23436268e-04 3.61150834e-04 -2.28243809e-05] [ 1.23436268e-04 -3.61150834e-04 2.28243808e-05] [-1.23436269e-04 3.61150834e-04 -2.28243811e-05] [-1.23436269e-04 -3.61150834e-04 2.28243813e-05] [ 1.23436268e-04 -2.28243805e-05 3.61150834e-04] [-1.23436268e-04 -2.28243805e-05 3.61150834e-04] [ 1.23436268e-04 2.28243809e-05 -3.61150834e-04] [-1.23436269e-04 2.28243813e-05 -3.61150834e-04]] Final stress: [-1.33136232e-05 1.56911268e-05 1.56911268e-05 1.66729773e-05 -3.15869043e-17 2.65994983e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.84968739e-04 2.35866014e-14 -3.52079477e-14] [-4.84968739e-04 -3.76088050e-14 -3.58602037e-14] [ 5.06521908e-14 -7.86509062e-07 5.35360752e-05] [ 9.51183576e-14 7.86508980e-07 -5.35360753e-05] [ 7.03981144e-14 5.35360751e-05 -7.86509240e-07] [-2.76167977e-14 -5.35360752e-05 7.86509022e-07] [ 4.84968739e-04 -6.39544841e-14 5.45890409e-14] [-4.84968739e-04 3.62505165e-14 -2.29884130e-14] [ 5.06465529e-14 -7.86509019e-07 5.35360751e-05] [-8.33387179e-14 7.86509116e-07 -5.35360752e-05] [-2.44994997e-14 5.35360753e-05 -7.86509122e-07] [ 1.16642807e-14 -5.35360752e-05 7.86509277e-07] [-3.92499753e-04 1.74564800e-04 1.74564800e-04] [-2.46048750e-04 -1.34812350e-04 1.34812351e-04] [-2.46048750e-04 1.34812350e-04 -1.34812350e-04] [-3.92499753e-04 -1.74564800e-04 -1.74564799e-04] [ 2.46048750e-04 1.34812351e-04 -1.34812350e-04] [ 3.92499753e-04 -1.74564799e-04 -1.74564799e-04] [ 2.46048750e-04 -1.34812351e-04 1.34812351e-04] [ 3.92499753e-04 1.74564800e-04 1.74564799e-04] [-3.92499753e-04 1.74564800e-04 1.74564799e-04] [-2.46048750e-04 -1.34812350e-04 1.34812351e-04] [-2.46048750e-04 1.34812351e-04 -1.34812351e-04] [-3.92499753e-04 -1.74564799e-04 -1.74564799e-04] [ 2.46048750e-04 1.34812351e-04 -1.34812351e-04] [ 3.92499753e-04 -1.74564800e-04 -1.74564800e-04] [ 2.46048750e-04 -1.34812350e-04 1.34812351e-04] [ 3.92499753e-04 1.74564799e-04 1.74564799e-04] [-1.57429625e-13 -2.51187959e-14 2.39225306e-13] [-5.18486729e-13 1.08002664e-13 -3.75963457e-13] [-1.31450406e-13 -1.20939844e-04 -1.20939848e-04] [-1.01240197e-13 -5.93029019e-04 5.93029017e-04] [ 1.20840837e-14 5.93029019e-04 -5.93029017e-04] [-1.36356204e-13 1.20939845e-04 1.20939846e-04] [ 1.33118447e-04 -3.63175392e-04 -3.28207655e-05] [ 1.33118447e-04 3.63175391e-04 3.28207658e-05] [-1.33118447e-04 -3.63175392e-04 -3.28207657e-05] [-1.33118447e-04 3.63175391e-04 3.28207660e-05] [ 1.33118449e-04 -3.28207679e-05 -3.63175391e-04] [-1.33118449e-04 -3.28207672e-05 -3.63175391e-04] [ 1.33118449e-04 3.28207676e-05 3.63175391e-04] [-1.33118448e-04 3.28207669e-05 3.63175391e-04] [-3.63483549e-13 -1.20939846e-04 -1.20939845e-04] [-1.61950748e-13 -5.93029018e-04 5.93029019e-04] [-1.84161280e-13 5.93029018e-04 -5.93029018e-04] [-2.86508230e-13 1.20939847e-04 1.20939844e-04] [ 1.33118448e-04 -3.63175391e-04 -3.28207672e-05] [ 1.33118449e-04 3.63175391e-04 3.28207678e-05] [-1.33118449e-04 -3.63175392e-04 -3.28207675e-05] [-1.33118450e-04 3.63175391e-04 3.28207682e-05] [ 1.33118447e-04 -3.28207660e-05 -3.63175391e-04] [-1.33118447e-04 -3.28207655e-05 -3.63175391e-04] [ 1.33118447e-04 3.28207656e-05 3.63175391e-04] [-1.33118446e-04 3.28207651e-05 3.63175391e-04]] Final stress: [-1.33433674e-05 1.57235423e-05 1.57235423e-05 -1.67314753e-05 1.99496237e-16 1.99496237e-17] Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.19123985e-04 1.18143342e-14 1.43913093e-13] [ 5.19123985e-04 1.26010313e-14 1.24955601e-13] [ 3.37889439e-14 -7.75448613e-05 -8.47022651e-05] [ 1.00031095e-13 7.75448610e-05 8.47022652e-05] [-1.10027872e-13 -8.47022649e-05 -7.75448612e-05] [-5.60107516e-14 8.47022651e-05 7.75448604e-05] [-5.19123985e-04 1.79431123e-14 -8.89431702e-14] [ 5.19123985e-04 6.57455861e-14 -9.82124148e-14] [-2.37587727e-14 -7.75448608e-05 -8.47022650e-05] [-6.18402898e-14 7.75448609e-05 8.47022649e-05] [ 4.50008954e-14 -8.47022651e-05 -7.75448610e-05] [ 1.83997782e-14 8.47022651e-05 7.75448612e-05] [-3.27567620e-04 -1.08803174e-04 -1.08803174e-04] [-5.00723493e-04 1.89178872e-04 -1.89178872e-04] [-5.00723493e-04 -1.89178872e-04 1.89178872e-04] [-3.27567620e-04 1.08803174e-04 1.08803174e-04] [ 5.00723493e-04 -1.89178872e-04 1.89178872e-04] [ 3.27567620e-04 1.08803174e-04 1.08803174e-04] [ 5.00723493e-04 1.89178872e-04 -1.89178872e-04] [ 3.27567620e-04 -1.08803174e-04 -1.08803174e-04] [-3.27567620e-04 -1.08803174e-04 -1.08803174e-04] [-5.00723493e-04 1.89178872e-04 -1.89178872e-04] [-5.00723493e-04 -1.89178872e-04 1.89178872e-04] [-3.27567620e-04 1.08803174e-04 1.08803174e-04] [ 5.00723493e-04 -1.89178872e-04 1.89178872e-04] [ 3.27567620e-04 1.08803174e-04 1.08803174e-04] [ 5.00723493e-04 1.89178872e-04 -1.89178872e-04] [ 3.27567620e-04 -1.08803174e-04 -1.08803174e-04] [ 8.16569035e-14 5.13700193e-13 1.04563580e-12] [-6.71441635e-13 -5.86674989e-14 -4.05782321e-13] [-6.28830321e-13 -5.81767248e-04 -5.81767251e-04] [-4.01562464e-13 -1.46163582e-04 1.46163581e-04] [-4.18311219e-13 1.46163581e-04 -1.46163581e-04] [-2.44932546e-13 5.81767249e-04 5.81767250e-04] [-6.31121917e-05 -3.34990744e-04 1.37426984e-05] [-6.31121923e-05 3.34990745e-04 -1.37426988e-05] [ 6.31121909e-05 -3.34990745e-04 1.37426976e-05] [ 6.31121917e-05 3.34990745e-04 -1.37426982e-05] [-6.31121904e-05 1.37426971e-05 -3.34990745e-04] [ 6.31121913e-05 1.37426981e-05 -3.34990745e-04] [-6.31121908e-05 -1.37426974e-05 3.34990744e-04] [ 6.31121905e-05 -1.37426973e-05 3.34990744e-04] [ 1.47102382e-13 -5.81767250e-04 -5.81767249e-04] [-1.76878043e-13 -1.46163581e-04 1.46163582e-04] [ 2.39308139e-13 1.46163581e-04 -1.46163582e-04] [-1.42961164e-13 5.81767249e-04 5.81767249e-04] [-6.31121912e-05 -3.34990745e-04 1.37426978e-05] [-6.31121903e-05 3.34990744e-04 -1.37426971e-05] [ 6.31121907e-05 -3.34990744e-04 1.37426976e-05] [ 6.31121903e-05 3.34990745e-04 -1.37426974e-05] [-6.31121912e-05 1.37426976e-05 -3.34990744e-04] [ 6.31121920e-05 1.37426984e-05 -3.34990744e-04] [-6.31121915e-05 -1.37426980e-05 3.34990745e-04] [ 6.31121926e-05 -1.37426990e-05 3.34990745e-04]] Final stress: [ 1.22937125e-05 -1.64286237e-05 -1.64286237e-05 -1.81293858e-05 3.65770353e-17 -1.23031846e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.71589584e-04 1.08713386e-13 -1.03808407e-04] [-4.71589584e-04 6.55031585e-14 1.03808407e-04] [ 9.19481505e-14 9.63865776e-07 1.42052602e-13] [ 6.84730050e-14 -9.63865639e-07 1.33670852e-13] [-1.03186251e-04 5.57726608e-14 1.80447427e-06] [ 1.03186251e-04 6.23945340e-14 -1.80447436e-06] [ 4.71589584e-04 -7.40319264e-14 -1.03808407e-04] [-4.71589584e-04 -1.03567328e-14 1.03808407e-04] [-2.68040798e-14 9.63866203e-07 -6.52666429e-14] [-5.08868121e-14 -9.63865656e-07 -1.11362221e-13] [-1.03186251e-04 1.83975365e-14 1.80447417e-06] [ 1.03186250e-04 1.94628645e-15 -1.80447466e-06] [-7.33690687e-05 4.40186133e-04 1.49579194e-04] [ 6.48716026e-05 1.32977954e-04 1.58368149e-04] [ 7.33690687e-05 4.40186133e-04 -1.49579195e-04] [-6.48716023e-05 1.32977954e-04 -1.58368149e-04] [-6.48716022e-05 -1.32977954e-04 -1.58368149e-04] [ 7.33690688e-05 -4.40186133e-04 -1.49579194e-04] [-7.33690688e-05 -4.40186133e-04 1.49579194e-04] [ 6.48716025e-05 -1.32977954e-04 1.58368149e-04] [-7.33690689e-05 4.40186133e-04 1.49579194e-04] [ 6.48716023e-05 1.32977954e-04 1.58368148e-04] [ 7.33690686e-05 4.40186133e-04 -1.49579195e-04] [-6.48716022e-05 1.32977954e-04 -1.58368149e-04] [-6.48716022e-05 -1.32977954e-04 -1.58368149e-04] [ 7.33690686e-05 -4.40186133e-04 -1.49579195e-04] [-7.33690688e-05 -4.40186133e-04 1.49579194e-04] [ 6.48716023e-05 -1.32977954e-04 1.58368148e-04] [ 1.60899072e-13 1.18238752e-14 6.56502630e-13] [-2.19315018e-13 -4.54557770e-13 4.82558299e-13] [ 3.45455603e-04 2.46608352e-04 2.46672997e-04] [ 3.45455603e-04 -2.46608352e-04 2.46672997e-04] [-3.45455603e-04 2.46608353e-04 -2.46672996e-04] [-3.45455603e-04 -2.46608353e-04 -2.46672996e-04] [ 4.09394857e-04 -3.76365605e-13 4.20237762e-04] [-3.15971995e-04 -3.02546183e-13 3.05904376e-04] [ 3.15971996e-04 -1.32463485e-13 -3.05904375e-04] [-4.09394857e-04 -4.31026742e-14 -4.20237762e-04] [ 4.66756957e-05 5.70672595e-05 3.45521637e-04] [-4.66756953e-05 5.70672600e-05 -3.45521636e-04] [ 4.66756957e-05 -5.70672595e-05 3.45521638e-04] [-4.66756952e-05 -5.70672600e-05 -3.45521637e-04] [ 3.45455603e-04 2.46608353e-04 2.46672996e-04] [ 3.45455603e-04 -2.46608353e-04 2.46672996e-04] [-3.45455604e-04 2.46608353e-04 -2.46672996e-04] [-3.45455603e-04 -2.46608353e-04 -2.46672997e-04] [ 4.09394857e-04 -1.26435182e-13 4.20237762e-04] [-3.15971996e-04 1.21979250e-13 3.05904375e-04] [ 3.15971995e-04 -9.91914884e-14 -3.05904376e-04] [-4.09394856e-04 9.82083338e-14 -4.20237763e-04] [ 4.66756956e-05 5.70672596e-05 3.45521637e-04] [-4.66756957e-05 5.70672595e-05 -3.45521637e-04] [ 4.66756956e-05 -5.70672596e-05 3.45521637e-04] [-4.66756964e-05 -5.70672591e-05 -3.45521637e-04]] Final stress: [-1.30752308e-05 1.54196601e-05 1.54249763e-05 1.08060462e-16 1.61802809e-05 6.98236831e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.71589582e-04 7.18335981e-14 1.03808419e-04] [-4.71589582e-04 9.14823772e-14 -1.03808419e-04] [-1.56608233e-13 9.63859849e-07 6.41392321e-14] [-3.29736238e-14 -9.63859348e-07 6.55031585e-15] [ 1.03186263e-04 -4.41417736e-14 1.80446799e-06] [-1.03186263e-04 -7.97695243e-14 -1.80446828e-06] [ 4.71589581e-04 -5.90048843e-14 1.03808419e-04] [-4.71589581e-04 -4.58925432e-14 -1.03808419e-04] [ 8.52443116e-15 9.63860235e-07 1.63929817e-14] [ 3.90338803e-14 -9.63859540e-07 -4.74827468e-14] [ 1.03186263e-04 5.58457619e-14 1.80446816e-06] [-1.03186263e-04 1.23171339e-13 -1.80446810e-06] [-6.48716028e-05 -1.32977944e-04 1.58368147e-04] [ 7.33690653e-05 -4.40186125e-04 1.49579197e-04] [ 6.48716030e-05 -1.32977944e-04 -1.58368148e-04] [-7.33690655e-05 -4.40186125e-04 -1.49579197e-04] [-7.33690653e-05 4.40186125e-04 -1.49579197e-04] [ 6.48716030e-05 1.32977944e-04 -1.58368147e-04] [-6.48716028e-05 1.32977944e-04 1.58368147e-04] [ 7.33690653e-05 4.40186125e-04 1.49579197e-04] [-6.48716027e-05 -1.32977944e-04 1.58368147e-04] [ 7.33690655e-05 -4.40186125e-04 1.49579197e-04] [ 6.48716029e-05 -1.32977944e-04 -1.58368147e-04] [-7.33690652e-05 -4.40186125e-04 -1.49579197e-04] [-7.33690651e-05 4.40186125e-04 -1.49579197e-04] [ 6.48716029e-05 1.32977944e-04 -1.58368147e-04] [-6.48716028e-05 1.32977944e-04 1.58368147e-04] [ 7.33690654e-05 4.40186125e-04 1.49579197e-04] [-2.51576537e-13 -1.97175609e-13 5.05540054e-13] [ 5.19116000e-14 -7.60538928e-13 -1.90189140e-13] [-3.45455606e-04 2.46608354e-04 2.46672999e-04] [-3.45455606e-04 -2.46608354e-04 2.46672998e-04] [ 3.45455605e-04 2.46608355e-04 -2.46672998e-04] [ 3.45455605e-04 -2.46608354e-04 -2.46672998e-04] [-3.15971991e-04 -1.40665257e-13 -3.05904375e-04] [ 4.09394860e-04 2.56416416e-13 -4.20237761e-04] [-4.09394860e-04 -2.98752342e-13 4.20237761e-04] [ 3.15971991e-04 -3.78273801e-14 3.05904375e-04] [ 4.66756988e-05 5.70672606e-05 -3.45521638e-04] [-4.66756996e-05 5.70672599e-05 3.45521639e-04] [ 4.66756994e-05 -5.70672602e-05 -3.45521638e-04] [-4.66756999e-05 -5.70672597e-05 3.45521639e-04] [-3.45455605e-04 2.46608355e-04 2.46672997e-04] [-3.45455605e-04 -2.46608355e-04 2.46672997e-04] [ 3.45455605e-04 2.46608355e-04 -2.46672997e-04] [ 3.45455605e-04 -2.46608355e-04 -2.46672998e-04] [-3.15971991e-04 -2.08228017e-13 -3.05904375e-04] [ 4.09394860e-04 -3.75068900e-14 -4.20237762e-04] [-4.09394860e-04 -4.88351113e-13 4.20237762e-04] [ 3.15971992e-04 -1.14714661e-13 3.05904373e-04] [ 4.66757001e-05 5.70672595e-05 -3.45521639e-04] [-4.66757002e-05 5.70672595e-05 3.45521639e-04] [ 4.66757002e-05 -5.70672593e-05 -3.45521639e-04] [-4.66756998e-05 -5.70672597e-05 3.45521639e-04]] Final stress: [-1.30752309e-05 1.54196601e-05 1.54249762e-05 -0.00000000e+00 -1.61802808e-05 -2.62670046e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.11320996e-02 1.57198738e-11 2.70181408e-04] [ 1.11320997e-02 2.22250829e-11 -2.70181419e-04] [ 9.21847624e-12 5.20980744e-02 -6.85829865e-12] [-1.28630440e-11 -5.20980744e-02 -3.17587623e-12] [ 6.89479090e-03 -6.95380645e-12 5.38725214e-02] [-6.89479087e-03 -1.74394110e-11 -5.38725215e-02] [-1.11320996e-02 -4.56495562e-12 2.70181401e-04] [ 1.11320997e-02 -8.01249518e-12 -2.70181390e-04] [-5.63978074e-12 5.20980745e-02 2.44465649e-11] [ 2.26833214e-11 -5.20980744e-02 2.33994944e-11] [ 6.89479087e-03 1.98433437e-11 5.38725214e-02] [-6.89479088e-03 2.58825345e-11 -5.38725213e-02] [-2.09707518e-02 1.00488167e-02 -3.78832836e-02] [-2.24750352e-02 5.55421864e-02 -3.51993678e-03] [ 2.09707519e-02 1.00488166e-02 3.78832836e-02] [ 2.24750352e-02 5.55421865e-02 3.51993675e-03] [ 2.24750353e-02 -5.55421864e-02 3.51993671e-03] [ 2.09707519e-02 -1.00488165e-02 3.78832837e-02] [-2.09707518e-02 -1.00488166e-02 -3.78832837e-02] [-2.24750353e-02 -5.55421864e-02 -3.51993671e-03] [-2.09707519e-02 1.00488165e-02 -3.78832837e-02] [-2.24750353e-02 5.55421865e-02 -3.51993672e-03] [ 2.09707518e-02 1.00488166e-02 3.78832836e-02] [ 2.24750352e-02 5.55421864e-02 3.51993671e-03] [ 2.24750353e-02 -5.55421865e-02 3.51993669e-03] [ 2.09707519e-02 -1.00488166e-02 3.78832836e-02] [-2.09707519e-02 -1.00488166e-02 -3.78832836e-02] [-2.24750353e-02 -5.55421865e-02 -3.51993674e-03] [ 6.07619510e-11 2.05865325e-11 4.20160295e-11] [-8.50817186e-11 -1.18322279e-10 -1.42412736e-10] [ 8.71571285e-02 -1.14752621e-02 -9.76785700e-03] [ 8.71571286e-02 1.14752620e-02 -9.76785708e-03] [-8.71571286e-02 -1.14752621e-02 9.76785702e-03] [-8.71571284e-02 1.14752621e-02 9.76785697e-03] [ 6.07302156e-02 5.05896436e-11 -6.86920157e-03] [-1.78984547e-03 2.93235089e-11 6.60230676e-02] [ 1.78984535e-03 -4.11218316e-11 -6.60230677e-02] [-6.07302155e-02 -4.25964092e-11 6.86920146e-03] [ 3.30822983e-02 -3.53113349e-02 9.82371218e-02] [-3.30822982e-02 -3.53113348e-02 -9.82371220e-02] [ 3.30822982e-02 3.53113348e-02 9.82371218e-02] [-3.30822982e-02 3.53113348e-02 -9.82371219e-02] [ 8.71571285e-02 -1.14752621e-02 -9.76785703e-03] [ 8.71571284e-02 1.14752621e-02 -9.76785694e-03] [-8.71571285e-02 -1.14752620e-02 9.76785712e-03] [-8.71571285e-02 1.14752619e-02 9.76785710e-03] [ 6.07302155e-02 -1.15889138e-10 -6.86920142e-03] [-1.78984543e-03 -3.86075828e-12 6.60230676e-02] [ 1.78984539e-03 6.44485160e-11 -6.60230676e-02] [-6.07302156e-02 7.13543482e-11 6.86920155e-03] [ 3.30822982e-02 -3.53113348e-02 9.82371220e-02] [-3.30822983e-02 -3.53113349e-02 -9.82371218e-02] [ 3.30822983e-02 3.53113350e-02 9.82371219e-02] [-3.30822981e-02 3.53113348e-02 -9.82371219e-02]] Final stress: [ 1.08016109e-03 -3.08660632e-04 -3.29749128e-04 2.06444112e-14 1.23746917e-04 -4.41368435e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.00167794e-04 -3.06256756e-14 6.08372238e-05] [ 4.00167793e-04 -9.08995101e-14 -6.08372237e-05] [-6.27371419e-14 1.86412682e-04 1.63047527e-13] [ 3.72757381e-14 -1.86412682e-04 3.55271368e-14] [ 6.12821563e-05 -1.17661089e-13 1.87457129e-04] [-6.12821564e-05 -5.68711744e-14 -1.87457130e-04] [-4.00167794e-04 7.87889719e-14 6.08372237e-05] [ 4.00167794e-04 3.17666900e-14 -6.08372239e-05] [-8.53540329e-14 1.86412683e-04 -1.01816990e-13] [-1.05641190e-13 -1.86412682e-04 -2.63276673e-14] [ 6.12821560e-05 4.88657068e-14 1.87457130e-04] [-6.12821562e-05 2.73342924e-14 -1.87457130e-04] [ 1.09840192e-04 -4.28099326e-04 -8.90782146e-05] [ 4.97919680e-05 -8.96210519e-05 -2.48416392e-04] [-1.09840191e-04 -4.28099326e-04 8.90782147e-05] [-4.97919680e-05 -8.96210516e-05 2.48416392e-04] [-4.97919680e-05 8.96210519e-05 2.48416392e-04] [-1.09840191e-04 4.28099326e-04 8.90782149e-05] [ 1.09840192e-04 4.28099326e-04 -8.90782146e-05] [ 4.97919679e-05 8.96210520e-05 -2.48416392e-04] [ 1.09840192e-04 -4.28099326e-04 -8.90782152e-05] [ 4.97919681e-05 -8.96210514e-05 -2.48416392e-04] [-1.09840192e-04 -4.28099326e-04 8.90782146e-05] [-4.97919677e-05 -8.96210515e-05 2.48416392e-04] [-4.97919677e-05 8.96210519e-05 2.48416392e-04] [-1.09840192e-04 4.28099326e-04 8.90782146e-05] [ 1.09840192e-04 4.28099326e-04 -8.90782152e-05] [ 4.97919680e-05 8.96210517e-05 -2.48416392e-04] [ 3.11778381e-13 -5.77177195e-13 7.33441086e-13] [-7.05754899e-14 -4.60471783e-13 -6.20806226e-13] [-5.35387519e-04 -2.67327897e-04 -2.67262764e-04] [-5.35387519e-04 2.67327896e-04 -2.67262765e-04] [ 5.35387519e-04 -2.67327897e-04 2.67262765e-04] [ 5.35387519e-04 2.67327897e-04 2.67262765e-04] [-2.25010882e-04 -7.43960449e-13 -4.99249311e-04] [ 3.33809951e-04 -6.77400844e-13 -5.78931530e-05] [-3.33809952e-04 -4.13599710e-13 5.78931518e-05] [ 2.25010883e-04 -6.01109440e-13 4.99249311e-04] [ 5.43942094e-05 -2.20747707e-04 -5.35131898e-04] [-5.43942092e-05 -2.20747707e-04 5.35131898e-04] [ 5.43942098e-05 2.20747708e-04 -5.35131897e-04] [-5.43942088e-05 2.20747706e-04 5.35131897e-04] [-5.35387519e-04 -2.67327896e-04 -2.67262766e-04] [-5.35387519e-04 2.67327896e-04 -2.67262765e-04] [ 5.35387518e-04 -2.67327895e-04 2.67262766e-04] [ 5.35387519e-04 2.67327895e-04 2.67262766e-04] [-2.25010884e-04 1.25074535e-13 -4.99249310e-04] [ 3.33809950e-04 8.30919535e-14 -5.78931541e-05] [-3.33809952e-04 -6.37969278e-13 5.78931528e-05] [ 2.25010884e-04 4.36191881e-14 4.99249310e-04] [ 5.43942103e-05 -2.20747708e-04 -5.35131898e-04] [-5.43942099e-05 -2.20747707e-04 5.35131898e-04] [ 5.43942110e-05 2.20747708e-04 -5.35131898e-04] [-5.43942109e-05 2.20747708e-04 5.35131898e-04]] Final stress: [ 1.30711889e-05 -1.49308622e-05 -1.49268361e-05 1.66259251e-16 -1.67752144e-05 3.49144428e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.71589584e-04 -1.03808409e-04 2.66236685e-14] [-4.71589584e-04 1.03808409e-04 -3.59157148e-14] [-1.03186253e-04 1.80446933e-06 2.73891153e-14] [ 1.03186253e-04 -1.80446922e-06 -1.34559031e-13] [ 4.42354486e-16 -5.07718867e-14 9.63860467e-07] [ 6.42264020e-14 1.85962357e-15 -9.63860855e-07] [ 4.71589584e-04 -1.03808409e-04 -3.77329278e-14] [-4.71589584e-04 1.03808409e-04 -5.53352792e-14] [-1.03186253e-04 1.80446870e-06 -4.44195159e-14] [ 1.03186253e-04 -1.80446918e-06 -4.56511826e-15] [-8.74625893e-14 4.89094249e-14 9.63860524e-07] [-8.42824074e-14 -3.29461482e-14 -9.63860734e-07] [-7.33690686e-05 1.49579194e-04 4.40186131e-04] [ 7.33690684e-05 -1.49579194e-04 4.40186132e-04] [ 6.48716008e-05 1.58368150e-04 1.32977951e-04] [-6.48716009e-05 -1.58368150e-04 1.32977951e-04] [-7.33690688e-05 1.49579194e-04 -4.40186131e-04] [ 7.33690685e-05 -1.49579194e-04 -4.40186132e-04] [-6.48716010e-05 -1.58368150e-04 -1.32977951e-04] [ 6.48716011e-05 1.58368150e-04 -1.32977951e-04] [-7.33690686e-05 1.49579194e-04 4.40186132e-04] [ 7.33690689e-05 -1.49579194e-04 4.40186131e-04] [ 6.48716011e-05 1.58368150e-04 1.32977951e-04] [-6.48716011e-05 -1.58368150e-04 1.32977951e-04] [-7.33690686e-05 1.49579194e-04 -4.40186132e-04] [ 7.33690687e-05 -1.49579194e-04 -4.40186131e-04] [-6.48716012e-05 -1.58368150e-04 -1.32977951e-04] [ 6.48716011e-05 1.58368150e-04 -1.32977951e-04] [-1.09745546e-13 -2.11552997e-13 2.47274423e-13] [ 6.56774982e-14 4.92546163e-13 9.04637867e-14] [ 3.45455607e-04 2.46672996e-04 2.46608352e-04] [-3.45455607e-04 -2.46672997e-04 2.46608352e-04] [ 3.45455607e-04 2.46672996e-04 -2.46608352e-04] [-3.45455607e-04 -2.46672996e-04 -2.46608353e-04] [ 4.66757093e-05 3.45521641e-04 5.70672488e-05] [ 4.66757094e-05 3.45521641e-04 -5.70672487e-05] [-4.66757102e-05 -3.45521641e-04 5.70672482e-05] [-4.66757100e-05 -3.45521641e-04 -5.70672482e-05] [ 4.09394870e-04 4.20237749e-04 9.39248679e-14] [ 3.15971980e-04 -3.05904385e-04 -1.25099583e-13] [-3.15971979e-04 3.05904386e-04 7.90513488e-14] [-4.09394870e-04 -4.20237749e-04 1.91326122e-13] [ 3.45455607e-04 2.46672996e-04 2.46608353e-04] [-3.45455607e-04 -2.46672996e-04 2.46608353e-04] [ 3.45455608e-04 2.46672995e-04 -2.46608354e-04] [-3.45455608e-04 -2.46672996e-04 -2.46608353e-04] [ 4.66757101e-05 3.45521641e-04 5.70672482e-05] [ 4.66757102e-05 3.45521641e-04 -5.70672479e-05] [-4.66757105e-05 -3.45521641e-04 5.70672473e-05] [-4.66757104e-05 -3.45521641e-04 -5.70672472e-05] [ 4.09394870e-04 4.20237749e-04 3.55026877e-13] [ 3.15971980e-04 -3.05904385e-04 1.62103068e-13] [-3.15971980e-04 3.05904386e-04 1.91596278e-14] [-4.09394869e-04 -4.20237750e-04 -1.65028581e-14]] Final stress: [-1.30752309e-05 1.54249763e-05 1.54196601e-05 1.66246865e-16 -1.29672554e-16 1.61802809e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.71589585e-04 1.03808408e-04 5.93327470e-14] [-4.71589585e-04 -1.03808408e-04 1.70724546e-13] [ 1.03186252e-04 1.80446853e-06 9.45511031e-14] [-1.03186252e-04 -1.80446816e-06 6.56696919e-14] [ 2.81471894e-14 6.92163341e-14 9.63859770e-07] [-3.89688282e-14 1.23234756e-14 -9.63860103e-07] [ 4.71589584e-04 1.03808408e-04 -3.67543300e-14] [-4.71589584e-04 -1.03808408e-04 -8.53323935e-14] [ 1.03186252e-04 1.80446828e-06 1.03531558e-14] [-1.03186252e-04 -1.80446841e-06 -4.39149143e-14] [-5.51533645e-14 1.23309953e-14 9.63860384e-07] [-2.34751454e-15 3.81884973e-14 -9.63859786e-07] [-6.48716004e-05 1.58368151e-04 -1.32977952e-04] [ 6.48716004e-05 -1.58368151e-04 -1.32977951e-04] [ 7.33690696e-05 1.49579194e-04 -4.40186132e-04] [-7.33690696e-05 -1.49579194e-04 -4.40186132e-04] [-6.48716006e-05 1.58368150e-04 1.32977952e-04] [ 6.48716007e-05 -1.58368150e-04 1.32977951e-04] [-7.33690694e-05 -1.49579194e-04 4.40186133e-04] [ 7.33690695e-05 1.49579194e-04 4.40186132e-04] [-6.48716004e-05 1.58368150e-04 -1.32977952e-04] [ 6.48716005e-05 -1.58368151e-04 -1.32977952e-04] [ 7.33690694e-05 1.49579194e-04 -4.40186133e-04] [-7.33690695e-05 -1.49579194e-04 -4.40186133e-04] [-6.48716003e-05 1.58368151e-04 1.32977951e-04] [ 6.48716004e-05 -1.58368151e-04 1.32977951e-04] [-7.33690697e-05 -1.49579194e-04 4.40186132e-04] [ 7.33690695e-05 1.49579194e-04 4.40186132e-04] [ 1.44440016e-13 -2.23460139e-13 4.81364948e-13] [-6.25150973e-15 4.45553738e-13 -6.16557477e-13] [-3.45455609e-04 2.46672995e-04 2.46608353e-04] [ 3.45455609e-04 -2.46672996e-04 2.46608352e-04] [-3.45455608e-04 2.46672995e-04 -2.46608353e-04] [ 3.45455608e-04 -2.46672995e-04 -2.46608353e-04] [ 4.66757142e-05 -3.45521643e-04 5.70672445e-05] [ 4.66757138e-05 -3.45521643e-04 -5.70672446e-05] [-4.66757142e-05 3.45521642e-04 5.70672442e-05] [-4.66757137e-05 3.45521642e-04 -5.70672444e-05] [-3.15971975e-04 -3.05904390e-04 -3.80140364e-13] [-4.09394875e-04 4.20237744e-04 -6.61172506e-14] [ 4.09394874e-04 -4.20237745e-04 -2.79030271e-14] [ 3.15971975e-04 3.05904389e-04 -1.73505307e-13] [-3.45455609e-04 2.46672995e-04 2.46608353e-04] [ 3.45455609e-04 -2.46672994e-04 2.46608353e-04] [-3.45455608e-04 2.46672996e-04 -2.46608353e-04] [ 3.45455609e-04 -2.46672995e-04 -2.46608353e-04] [ 4.66757142e-05 -3.45521642e-04 5.70672444e-05] [ 4.66757144e-05 -3.45521642e-04 -5.70672442e-05] [-4.66757139e-05 3.45521642e-04 5.70672445e-05] [-4.66757143e-05 3.45521643e-04 -5.70672440e-05] [-3.15971976e-04 -3.05904389e-04 3.89949817e-13] [-4.09394874e-04 4.20237745e-04 2.71799557e-13] [ 4.09394874e-04 -4.20237744e-04 2.30922018e-13] [ 3.15971975e-04 3.05904390e-04 3.73923982e-13]] Final stress: [-1.30752309e-05 1.54249763e-05 1.54196602e-05 1.81209082e-16 -6.64987458e-17 -1.61802809e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.32233736e-04 -3.54245536e-05 2.91741024e-13] [ 5.32233736e-04 3.54245534e-05 6.01185768e-14] [-3.55839796e-05 4.89574278e-04 3.07315371e-13] [ 3.55839805e-05 -4.89574278e-04 2.05779838e-13] [ 4.62724477e-14 3.68325162e-14 4.87543436e-04] [ 1.10966791e-13 8.48210391e-14 -4.87543437e-04] [-5.32233736e-04 -3.54245538e-05 -1.36651767e-13] [ 5.32233736e-04 3.54245539e-05 -2.72941204e-13] [-3.55839804e-05 4.89574279e-04 -2.37137438e-13] [ 3.55839795e-05 -4.89574277e-04 -1.69084796e-13] [ 2.80088452e-14 -2.57686554e-15 4.87543437e-04] [ 1.06799118e-13 7.62113001e-14 -4.87543436e-04] [-2.19625381e-04 -4.80671426e-04 1.16386476e-04] [ 2.19625382e-04 4.80671426e-04 1.16386474e-04] [-2.00705948e-04 -6.13918278e-05 6.60480297e-04] [ 2.00705947e-04 6.13918279e-05 6.60480297e-04] [-2.19625382e-04 -4.80671427e-04 -1.16386475e-04] [ 2.19625383e-04 4.80671427e-04 -1.16386474e-04] [ 2.00705948e-04 6.13918275e-05 -6.60480296e-04] [-2.00705949e-04 -6.13918269e-05 -6.60480297e-04] [-2.19625383e-04 -4.80671427e-04 1.16386474e-04] [ 2.19625382e-04 4.80671427e-04 1.16386475e-04] [-2.00705949e-04 -6.13918276e-05 6.60480296e-04] [ 2.00705948e-04 6.13918276e-05 6.60480296e-04] [-2.19625382e-04 -4.80671426e-04 -1.16386475e-04] [ 2.19625381e-04 4.80671426e-04 -1.16386476e-04] [ 2.00705948e-04 6.13918276e-05 -6.60480297e-04] [-2.00705949e-04 -6.13918279e-05 -6.60480297e-04] [ 7.15344450e-13 4.39037695e-13 1.16298637e-12] [-9.66783511e-13 -2.26852958e-12 -1.81464584e-12] [ 1.05821657e-03 -4.20930202e-04 -4.21156476e-04] [-1.05821657e-03 4.20930202e-04 -4.21156476e-04] [ 1.05821657e-03 -4.20930202e-04 4.21156477e-04] [-1.05821657e-03 4.20930202e-04 4.21156477e-04] [ 1.76113615e-04 1.05844339e-03 -5.17469285e-04] [ 1.76113614e-04 1.05844338e-03 5.17469285e-04] [-1.76113616e-04 -1.05844339e-03 -5.17469287e-04] [-1.76113614e-04 -1.05844339e-03 5.17469286e-04] [ 5.28906183e-04 -1.66225132e-04 1.39488421e-12] [ 1.76698561e-04 -8.68281305e-04 -1.75477688e-13] [-1.76698563e-04 8.68281302e-04 5.36902120e-13] [-5.28906185e-04 1.66225135e-04 4.17759577e-13] [ 1.05821657e-03 -4.20930202e-04 -4.21156477e-04] [-1.05821657e-03 4.20930202e-04 -4.21156477e-04] [ 1.05821657e-03 -4.20930202e-04 4.21156477e-04] [-1.05821657e-03 4.20930202e-04 4.21156477e-04] [ 1.76113615e-04 1.05844339e-03 -5.17469287e-04] [ 1.76113616e-04 1.05844339e-03 5.17469287e-04] [-1.76113615e-04 -1.05844339e-03 -5.17469285e-04] [-1.76113612e-04 -1.05844339e-03 5.17469283e-04] [ 5.28906185e-04 -1.66225135e-04 5.09470585e-13] [ 1.76698563e-04 -8.68281303e-04 5.68794045e-13] [-1.76698562e-04 8.68281303e-04 5.37203396e-13] [-5.28906185e-04 1.66225134e-04 7.19129617e-14]] Final stress: [ 2.26199999e-05 -1.49721783e-05 -1.49809173e-05 -2.04498879e-16 2.07824064e-16 1.72516284e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.08193365e-04 6.56268291e-05 -4.90926744e-14] [ 4.08193365e-04 -6.56268292e-05 2.72837308e-14] [ 6.60890730e-05 1.66411701e-04 4.76381087e-14] [-6.60890729e-05 -1.66411701e-04 -7.92144128e-14] [ 2.83362743e-14 2.89314146e-13 1.65390803e-04] [ 3.72479825e-14 1.11188836e-13 -1.65390804e-04] [-4.08193365e-04 6.56268293e-05 -2.32135462e-14] [ 4.08193365e-04 -6.56268292e-05 -6.46133902e-14] [ 6.60890730e-05 1.66411702e-04 3.72813028e-16] [-6.60890730e-05 -1.66411701e-04 -6.85386022e-14] [-1.44663795e-13 -1.67552303e-13 1.65390804e-04] [-8.06906625e-14 -5.83848760e-14 -1.65390803e-04] [ 1.05717527e-04 -9.60004681e-05 -4.29708080e-04] [-1.05717527e-04 9.60004682e-05 -4.29708081e-04] [ 3.73735561e-05 -2.38797145e-04 -9.39535643e-05] [-3.73735564e-05 2.38797145e-04 -9.39535643e-05] [ 1.05717527e-04 -9.60004685e-05 4.29708080e-04] [-1.05717526e-04 9.60004687e-05 4.29708081e-04] [-3.73735560e-05 2.38797144e-04 9.39535645e-05] [ 3.73735556e-05 -2.38797144e-04 9.39535646e-05] [ 1.05717527e-04 -9.60004688e-05 -4.29708081e-04] [-1.05717527e-04 9.60004683e-05 -4.29708080e-04] [ 3.73735558e-05 -2.38797144e-04 -9.39535646e-05] [-3.73735555e-05 2.38797144e-04 -9.39535646e-05] [ 1.05717527e-04 -9.60004686e-05 4.29708080e-04] [-1.05717527e-04 9.60004681e-05 4.29708080e-04] [-3.73735564e-05 2.38797145e-04 9.39535644e-05] [ 3.73735561e-05 -2.38797145e-04 9.39535644e-05] [ 8.42798054e-13 4.63101779e-13 8.48321413e-13] [ 1.38647774e-14 -7.28389058e-13 -1.33027324e-12] [-5.14501880e-04 -2.65223255e-04 -2.65287656e-04] [ 5.14501880e-04 2.65223255e-04 -2.65287657e-04] [-5.14501880e-04 -2.65223256e-04 2.65287656e-04] [ 5.14501880e-04 2.65223256e-04 2.65287656e-04] [ 4.33879195e-05 -5.14266401e-04 -2.03178804e-04] [ 4.33879192e-05 -5.14266401e-04 2.03178804e-04] [-4.33879197e-05 5.14266400e-04 -2.03178804e-04] [-4.33879200e-05 5.14266401e-04 2.03178804e-04] [-2.45087870e-04 -4.90799995e-04 -1.06248343e-13] [-3.31880211e-04 8.45860525e-05 5.59378932e-14] [ 3.31880211e-04 -8.45860525e-05 -4.50682894e-13] [ 2.45087872e-04 4.90799994e-04 -1.85264998e-13] [-5.14501880e-04 -2.65223257e-04 -2.65287655e-04] [ 5.14501880e-04 2.65223257e-04 -2.65287655e-04] [-5.14501880e-04 -2.65223257e-04 2.65287655e-04] [ 5.14501880e-04 2.65223258e-04 2.65287654e-04] [ 4.33879206e-05 -5.14266400e-04 -2.03178805e-04] [ 4.33879211e-05 -5.14266400e-04 2.03178805e-04] [-4.33879208e-05 5.14266401e-04 -2.03178805e-04] [-4.33879222e-05 5.14266401e-04 2.03178806e-04] [-2.45087873e-04 -4.90799994e-04 4.22563128e-13] [-3.31880209e-04 8.45860547e-05 7.20094963e-13] [ 3.31880210e-04 -8.45860539e-05 7.59231958e-13] [ 2.45087872e-04 4.90799993e-04 7.69343356e-13]] Final stress: [ 1.30451916e-05 -1.50075050e-05 -1.50116135e-05 2.09486657e-16 -4.65525904e-17 -1.67104155e-05] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.97343996e-03 -1.17001027e-13 3.40115956e-13] [ 5.97343996e-03 -4.77951012e-14 2.92044167e-13] [ 1.36564805e-13 -8.85290171e-03 -1.81468555e-13] [ 1.53904667e-13 8.85290171e-03 -6.48925358e-14] [-2.02270492e-13 -5.35561179e-14 -5.97343996e-03] [ 6.18671780e-14 -1.61703984e-13 5.97343996e-03] [-5.97343996e-03 -3.87524648e-13 -2.60785435e-13] [ 5.97343996e-03 -1.88152445e-13 3.31821806e-14] [-2.31694004e-13 -8.85290170e-03 -9.99505295e-14] [ 1.54814529e-13 8.85290170e-03 1.10662473e-13] [ 4.28177459e-14 -7.65365558e-14 -5.97343996e-03] [-2.57844961e-14 -2.09254775e-13 5.97343996e-03] [-2.87599068e-03 1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 -1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 1.88178804e-03 2.87599068e-03] [-2.87599068e-03 -1.88178804e-03 2.87599068e-03] [-2.87599068e-03 1.88178804e-03 2.87599068e-03] [ 2.87599068e-03 -1.88178804e-03 2.87599068e-03] [-2.87599068e-03 -1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 1.88178804e-03 -2.87599068e-03] [-2.87599068e-03 1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 -1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 1.88178804e-03 2.87599068e-03] [-2.87599068e-03 -1.88178804e-03 2.87599068e-03] [-2.87599068e-03 1.88178804e-03 2.87599068e-03] [ 2.87599068e-03 -1.88178804e-03 2.87599068e-03] [-2.87599068e-03 -1.88178804e-03 -2.87599068e-03] [ 2.87599068e-03 1.88178804e-03 -2.87599068e-03] [-1.75665038e-13 5.13478149e-14 -2.54518628e-13] [-1.85134894e-13 4.71860049e-13 4.30069635e-15] [ 3.57935903e-13 -1.70402357e-03 -1.11085105e-03] [ 4.54553062e-13 1.70402357e-03 -1.11085105e-03] [ 1.53127511e-13 -1.70402357e-03 1.11085105e-03] [ 6.98503755e-14 1.70402357e-03 1.11085105e-03] [-6.51313137e-03 -2.73114864e-14 -6.51313137e-03] [-6.51313137e-03 9.78054443e-14 6.51313137e-03] [ 6.51313137e-03 -5.78009862e-15 -6.51313137e-03] [ 6.51313137e-03 3.08869250e-13 6.51313137e-03] [-1.11085105e-03 -1.70402357e-03 -4.11559675e-13] [ 1.11085105e-03 -1.70402357e-03 -4.90493063e-14] [-1.11085105e-03 1.70402357e-03 2.21116528e-13] [ 1.11085105e-03 1.70402357e-03 3.85287288e-13] [ 1.57157273e-14 -1.70402357e-03 -1.11085105e-03] [ 1.63188473e-13 1.70402357e-03 -1.11085105e-03] [ 1.16582091e-14 -1.70402357e-03 1.11085105e-03] [-7.86892253e-14 1.70402357e-03 1.11085105e-03] [-6.51313137e-03 3.23062232e-13 -6.51313137e-03] [-6.51313137e-03 -1.30036606e-13 6.51313137e-03] [ 6.51313137e-03 3.39411225e-13 -6.51313137e-03] [ 6.51313137e-03 5.71067065e-13 6.51313137e-03] [-1.11085105e-03 -1.70402357e-03 -3.44411053e-13] [ 1.11085105e-03 -1.70402357e-03 -4.41781879e-13] [-1.11085105e-03 1.70402357e-03 7.61906001e-14] [ 1.11085105e-03 1.70402357e-03 -1.15840497e-14]] Final stress: [-4.39775154e-05 3.30451216e-04 -4.39775154e-05 -2.62699404e-16 -9.11134640e-16 -8.99496059e-16] Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 4.09891227e-04 -9.91079614e-13 1.22465840e-13] [-4.09891222e-04 -1.47037937e-12 8.71025474e-13] [ 2.12711316e-12 1.94993961e-02 1.23606724e-12] [ 1.28808075e-12 -1.94993961e-02 7.25419724e-13] [ 2.42516640e-12 -1.31776534e-13 -1.83231910e-02] [ 2.73239764e-12 8.57369731e-14 1.83231910e-02] [ 4.09891221e-04 -4.33853040e-13 7.02478128e-13] [-4.09891221e-04 6.47366275e-13 1.01441710e-14] [-5.16032963e-13 1.94993961e-02 -1.16923696e-13] [-4.21922046e-13 -1.94993961e-02 -2.98666944e-13] [-5.93574669e-13 -7.93891067e-13 -1.83231910e-02] [ 5.89291203e-13 -6.34696037e-13 1.83231910e-02] [-1.27380069e-04 2.21994659e-03 -2.22398070e-03] [ 1.27380069e-04 -2.21994659e-03 -2.22398070e-03] [ 1.27380070e-04 2.21994659e-03 2.22398070e-03] [-1.27380071e-04 -2.21994659e-03 2.22398069e-03] [-1.27380069e-04 2.21994659e-03 2.22398070e-03] [ 1.27380072e-04 -2.21994659e-03 2.22398069e-03] [-1.27380070e-04 -2.21994659e-03 -2.22398070e-03] [ 1.27380069e-04 2.21994659e-03 -2.22398070e-03] [-1.27380073e-04 2.21994659e-03 -2.22398070e-03] [ 1.27380069e-04 -2.21994659e-03 -2.22398070e-03] [ 1.27380068e-04 2.21994659e-03 2.22398070e-03] [-1.27380072e-04 -2.21994659e-03 2.22398070e-03] [-1.27380073e-04 2.21994659e-03 2.22398069e-03] [ 1.27380068e-04 -2.21994659e-03 2.22398070e-03] [-1.27380073e-04 -2.21994659e-03 -2.22398070e-03] [ 1.27380068e-04 2.21994659e-03 -2.22398070e-03] [ 1.12798659e-12 -3.23646665e-12 3.59268171e-12] [-3.91370530e-13 -1.00032658e-12 3.48601462e-13] [ 1.15962795e-12 -2.14672776e-04 -1.03095353e-04] [-1.71846912e-12 2.14672775e-04 -1.03095354e-04] [ 1.47159715e-12 -2.14672775e-04 1.03095358e-04] [-5.92581539e-14 2.14672777e-04 1.03095356e-04] [-4.36884533e-06 -1.52367008e-12 8.98175842e-05] [-4.36884791e-06 -4.02405713e-12 -8.98175842e-05] [ 4.36884485e-06 -5.85741525e-13 8.98175822e-05] [ 4.36884793e-06 -1.73595339e-12 -8.98175818e-05] [ 3.19126586e-04 2.93091185e-04 1.09867671e-12] [-3.19126587e-04 2.93091177e-04 8.66241107e-13] [ 3.19126588e-04 -2.93091179e-04 2.50118155e-12] [-3.19126588e-04 -2.93091178e-04 9.57926446e-13] [-1.13210656e-12 -2.14672779e-04 -1.03095351e-04] [ 3.04458585e-12 2.14672778e-04 -1.03095353e-04] [-1.88863161e-12 -2.14672779e-04 1.03095353e-04] [-3.60292091e-13 2.14672781e-04 1.03095356e-04] [-4.36884383e-06 -1.42356803e-12 8.98175792e-05] [-4.36884463e-06 -2.41369208e-13 -8.98175791e-05] [ 4.36884492e-06 -2.49665870e-12 8.98175816e-05] [ 4.36884687e-06 -1.46561149e-12 -8.98175843e-05] [ 3.19126587e-04 2.93091179e-04 -2.11471304e-13] [-3.19126583e-04 2.93091183e-04 1.83396965e-13] [ 3.19126588e-04 -2.93091178e-04 -1.74643521e-12] [-3.19126591e-04 -2.93091180e-04 -4.36466835e-13]] Final stress: [-6.33608540e-07 -1.80793898e-04 1.75212961e-04 -1.03741908e-15 -2.60518542e-15 1.70575637e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 4.09891224e-04 -1.17111746e-12 3.38337431e-13] [-4.09891222e-04 -5.95801186e-13 5.23886490e-13] [ 1.92047636e-12 -1.83231910e-02 4.83211561e-13] [ 1.95954364e-12 1.83231910e-02 5.90888449e-13] [ 1.70359647e-12 -3.02737002e-13 1.94993961e-02] [ 1.81316073e-12 -5.09647879e-13 -1.94993961e-02] [ 4.09891221e-04 -8.13953072e-13 4.49002533e-13] [-4.09891223e-04 -3.68999969e-13 -4.69302103e-14] [ 3.97249941e-13 -1.83231910e-02 1.78262533e-13] [-2.94644083e-13 1.83231910e-02 -4.06150636e-13] [-2.50133247e-13 -3.10532939e-13 1.94993961e-02] [ 5.94030033e-13 -2.28262406e-13 -1.94993961e-02] [-1.27380070e-04 -2.22398070e-03 2.21994659e-03] [ 1.27380069e-04 2.22398070e-03 2.21994659e-03] [ 1.27380071e-04 -2.22398069e-03 -2.21994659e-03] [-1.27380071e-04 2.22398070e-03 -2.21994659e-03] [-1.27380070e-04 -2.22398070e-03 -2.21994659e-03] [ 1.27380069e-04 2.22398070e-03 -2.21994659e-03] [-1.27380071e-04 2.22398070e-03 2.21994659e-03] [ 1.27380069e-04 -2.22398069e-03 2.21994659e-03] [-1.27380072e-04 -2.22398069e-03 2.21994659e-03] [ 1.27380069e-04 2.22398070e-03 2.21994659e-03] [ 1.27380069e-04 -2.22398069e-03 -2.21994659e-03] [-1.27380072e-04 2.22398070e-03 -2.21994659e-03] [-1.27380073e-04 -2.22398069e-03 -2.21994659e-03] [ 1.27380069e-04 2.22398070e-03 -2.21994659e-03] [-1.27380072e-04 2.22398069e-03 2.21994659e-03] [ 1.27380069e-04 -2.22398069e-03 2.21994659e-03] [ 1.81496485e-12 -2.48359666e-12 2.11028417e-12] [ 2.30348596e-12 -8.89756527e-13 -6.42660891e-13] [ 6.45372644e-13 -1.03095356e-04 -2.14672776e-04] [ 2.13751412e-12 1.03095356e-04 -2.14672777e-04] [ 1.74596275e-12 -1.03095355e-04 2.14672778e-04] [ 1.28305873e-12 1.03095356e-04 2.14672777e-04] [ 3.19126585e-04 -2.93154390e-12 2.93091185e-04] [ 3.19126585e-04 -9.37349157e-13 -2.93091183e-04] [-3.19126585e-04 -2.60770051e-12 2.93091181e-04] [-3.19126586e-04 -2.59291894e-12 -2.93091180e-04] [-4.36884660e-06 8.98175821e-05 1.03328457e-12] [ 4.36884738e-06 8.98175805e-05 1.09968284e-12] [-4.36884563e-06 -8.98175811e-05 1.69091997e-12] [ 4.36884630e-06 -8.98175816e-05 -3.02861902e-13] [ 2.17338907e-12 -1.03095354e-04 -2.14672776e-04] [-5.50897002e-13 1.03095355e-04 -2.14672775e-04] [-1.73947575e-12 -1.03095355e-04 2.14672776e-04] [ 2.00862070e-12 1.03095357e-04 2.14672774e-04] [ 3.19126587e-04 3.34388374e-13 2.93091180e-04] [ 3.19126586e-04 2.19812016e-13 -2.93091181e-04] [-3.19126590e-04 -7.63736296e-13 2.93091179e-04] [-3.19126588e-04 -2.64738318e-13 -2.93091181e-04] [-4.36884564e-06 8.98175816e-05 -5.12077793e-13] [ 4.36884629e-06 8.98175824e-05 -8.26980357e-14] [-4.36884405e-06 -8.98175806e-05 -5.69156139e-13] [ 4.36884491e-06 -8.98175821e-05 -2.80640094e-13]] Final stress: [-6.33608541e-07 1.75212961e-04 -1.80793897e-04 7.09900557e-16 -4.02332400e-16 3.84044563e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.01962384e-04 9.86619640e-14 1.09000916e-13] [ 1.01962384e-04 1.37334588e-13 5.69544412e-14] [ 6.35255737e-15 -6.40002043e-04 1.18978612e-13] [-6.60582700e-14 6.40002043e-04 9.82269821e-14] [-1.68359250e-14 -3.13616320e-14 -6.40002043e-04] [ 3.64430708e-14 2.37865283e-14 6.40002043e-04] [-1.01962384e-04 -4.35849273e-14 2.30420784e-14] [ 1.01962384e-04 -9.22352472e-15 7.30091727e-14] [-3.34480707e-14 -6.40002042e-04 -5.55042794e-15] [-2.49140986e-14 6.40002043e-04 -1.41857488e-13] [-6.66233561e-14 1.70514194e-14 -6.40002043e-04] [-1.11125519e-13 1.00929000e-13 6.40002043e-04] [-2.95430688e-04 -2.17210895e-05 -2.17210897e-05] [ 2.95430688e-04 2.17210899e-05 -2.17210896e-05] [ 2.95430688e-04 -2.17210897e-05 2.17210898e-05] [-2.95430688e-04 2.17210896e-05 2.17210897e-05] [-2.95430688e-04 -2.17210897e-05 2.17210896e-05] [ 2.95430688e-04 2.17210896e-05 2.17210896e-05] [-2.95430688e-04 2.17210896e-05 -2.17210898e-05] [ 2.95430688e-04 -2.17210898e-05 -2.17210895e-05] [-2.95430687e-04 -2.17210898e-05 -2.17210899e-05] [ 2.95430688e-04 2.17210897e-05 -2.17210896e-05] [ 2.95430688e-04 -2.17210898e-05 2.17210895e-05] [-2.95430688e-04 2.17210897e-05 2.17210898e-05] [-2.95430687e-04 -2.17210896e-05 2.17210897e-05] [ 2.95430688e-04 2.17210895e-05 2.17210896e-05] [-2.95430688e-04 2.17210899e-05 -2.17210897e-05] [ 2.95430688e-04 -2.17210899e-05 -2.17210899e-05] [ 2.44998466e-13 -4.62407890e-13 3.27321503e-13] [-2.22886813e-13 -1.94120991e-13 -1.46125747e-14] [ 2.11608508e-13 7.24021297e-05 7.24021297e-05] [ 4.43157663e-13 -7.24021295e-05 7.24021292e-05] [ 1.74894821e-14 7.24021289e-05 -7.24021299e-05] [-1.36795089e-13 -7.24021288e-05 -7.24021299e-05] [ 8.36607640e-05 -1.84741111e-13 -3.26863666e-04] [ 8.36607641e-05 2.08737541e-13 3.26863666e-04] [-8.36607641e-05 -2.12852305e-13 -3.26863666e-04] [-8.36607637e-05 -7.85066456e-14 3.26863666e-04] [ 8.36607639e-05 -3.26863666e-04 -1.96509475e-14] [-8.36607641e-05 -3.26863666e-04 2.00631178e-13] [ 8.36607642e-05 3.26863666e-04 -4.69631278e-13] [-8.36607640e-05 3.26863666e-04 -2.36036884e-13] [-8.46835622e-14 7.24021289e-05 7.24021297e-05] [-5.06122921e-14 -7.24021293e-05 7.24021295e-05] [ 2.58040117e-15 7.24021296e-05 -7.24021291e-05] [ 5.01122581e-14 -7.24021291e-05 -7.24021294e-05] [ 8.36607639e-05 6.27710749e-14 -3.26863666e-04] [ 8.36607641e-05 2.35894203e-14 3.26863666e-04] [-8.36607634e-05 -1.41848339e-13 -3.26863666e-04] [-8.36607646e-05 -6.91781701e-14 3.26863666e-04] [ 8.36607640e-05 -3.26863666e-04 5.65572232e-13] [-8.36607646e-05 -3.26863666e-04 -4.97216641e-14] [ 8.36607641e-05 3.26863666e-04 2.16936105e-13] [-8.36607645e-05 3.26863666e-04 8.45842493e-14]] Final stress: [-3.81108270e-05 -5.87307211e-06 -5.87307211e-06 9.31086492e-17 8.81206859e-17 -1.59614827e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.63861112e-07 -1.13471732e-13 8.09508710e-15] [-9.63861288e-07 -2.73114864e-14 7.16648962e-14] [-4.74273398e-15 4.71589587e-04 -1.03808401e-04] [ 2.40640841e-14 -4.71589586e-04 1.03808400e-04] [-7.66643693e-14 -1.03186244e-04 1.80446964e-06] [ 1.87627691e-14 1.03186244e-04 -1.80446968e-06] [ 9.63861028e-07 7.42413943e-14 -7.07427121e-16] [-9.63861609e-07 1.61770770e-13 -1.06529910e-14] [-8.70440872e-14 4.71589586e-04 -1.03808400e-04] [-6.57195652e-14 -4.71589586e-04 1.03808400e-04] [ 2.34499919e-14 -1.03186244e-04 1.80446949e-06] [-3.84774677e-14 1.03186244e-04 -1.80446996e-06] [ 4.40186137e-04 -7.33690720e-05 1.49579192e-04] [ 1.32977956e-04 6.48715993e-05 1.58368152e-04] [ 1.32977956e-04 -6.48715991e-05 -1.58368152e-04] [ 4.40186137e-04 7.33690719e-05 -1.49579192e-04] [-1.32977956e-04 -6.48715994e-05 -1.58368152e-04] [-4.40186137e-04 7.33690717e-05 -1.49579192e-04] [-1.32977957e-04 6.48715993e-05 1.58368152e-04] [-4.40186137e-04 -7.33690719e-05 1.49579192e-04] [ 4.40186137e-04 -7.33690717e-05 1.49579192e-04] [ 1.32977957e-04 6.48715995e-05 1.58368152e-04] [ 1.32977957e-04 -6.48715992e-05 -1.58368153e-04] [ 4.40186137e-04 7.33690719e-05 -1.49579192e-04] [-1.32977956e-04 -6.48715992e-05 -1.58368153e-04] [-4.40186137e-04 7.33690719e-05 -1.49579192e-04] [-1.32977956e-04 6.48715994e-05 1.58368152e-04] [-4.40186137e-04 -7.33690718e-05 1.49579192e-04] [ 9.86710713e-14 -6.14008844e-13 3.24740235e-14] [ 3.57595897e-13 3.01635053e-13 4.81778728e-13] [ 4.79949414e-13 4.09394879e-04 4.20237737e-04] [ 8.17644563e-14 3.15971969e-04 -3.05904396e-04] [ 3.70332237e-13 -3.15971970e-04 3.05904396e-04] [ 1.47054244e-13 -4.09394879e-04 -4.20237738e-04] [ 2.46608351e-04 3.45455609e-04 2.46672995e-04] [ 2.46608351e-04 -3.45455610e-04 -2.46672994e-04] [-2.46608351e-04 3.45455610e-04 2.46672995e-04] [-2.46608351e-04 -3.45455610e-04 -2.46672995e-04] [ 5.70672382e-05 4.66757188e-05 3.45521643e-04] [-5.70672378e-05 4.66757192e-05 3.45521643e-04] [ 5.70672385e-05 -4.66757186e-05 -3.45521643e-04] [-5.70672381e-05 -4.66757189e-05 -3.45521643e-04] [-1.91573320e-13 4.09394878e-04 4.20237738e-04] [-2.88180070e-13 3.15971970e-04 -3.05904395e-04] [-1.82920519e-13 -3.15971971e-04 3.05904395e-04] [-2.41265341e-14 -4.09394878e-04 -4.20237738e-04] [ 2.46608352e-04 3.45455609e-04 2.46672994e-04] [ 2.46608352e-04 -3.45455610e-04 -2.46672994e-04] [-2.46608352e-04 3.45455609e-04 2.46672994e-04] [-2.46608352e-04 -3.45455610e-04 -2.46672994e-04] [ 5.70672372e-05 4.66757199e-05 3.45521644e-04] [-5.70672371e-05 4.66757198e-05 3.45521643e-04] [ 5.70672368e-05 -4.66757205e-05 -3.45521643e-04] [-5.70672376e-05 -4.66757195e-05 -3.45521643e-04]] Final stress: [ 1.54196602e-05 -1.30752309e-05 1.54249763e-05 1.61802810e-05 3.15869043e-17 -2.44382891e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.63860981e-07 -5.37551774e-14 -5.23214284e-14] [-9.63860990e-07 -1.25954802e-13 -2.01783035e-14] [ 1.46389845e-13 4.71589584e-04 1.03808409e-04] [ 1.10828013e-13 -4.71589584e-04 -1.03808409e-04] [ 8.15679989e-14 1.03186253e-04 1.80446972e-06] [ 6.66411371e-14 -1.03186253e-04 -1.80446981e-06] [ 9.63861454e-07 1.53561625e-13 1.06856171e-13] [-9.63861029e-07 9.87200773e-14 1.07959076e-14] [-8.33408863e-14 4.71589584e-04 1.03808409e-04] [-1.91925469e-14 -4.71589584e-04 -1.03808409e-04] [-5.27100065e-14 1.03186253e-04 1.80446936e-06] [-5.92343015e-14 -1.03186253e-04 -1.80446959e-06] [-1.32977951e-04 -6.48716011e-05 1.58368150e-04] [-4.40186132e-04 7.33690690e-05 1.49579194e-04] [-4.40186132e-04 -7.33690690e-05 -1.49579194e-04] [-1.32977951e-04 6.48716009e-05 -1.58368150e-04] [ 4.40186132e-04 -7.33690686e-05 -1.49579194e-04] [ 1.32977951e-04 6.48716009e-05 -1.58368150e-04] [ 4.40186132e-04 7.33690685e-05 1.49579194e-04] [ 1.32977951e-04 -6.48716012e-05 1.58368150e-04] [-1.32977951e-04 -6.48716008e-05 1.58368150e-04] [-4.40186132e-04 7.33690688e-05 1.49579194e-04] [-4.40186132e-04 -7.33690688e-05 -1.49579195e-04] [-1.32977951e-04 6.48716011e-05 -1.58368150e-04] [ 4.40186132e-04 -7.33690688e-05 -1.49579194e-04] [ 1.32977951e-04 6.48716011e-05 -1.58368150e-04] [ 4.40186131e-04 7.33690688e-05 1.49579194e-04] [ 1.32977951e-04 -6.48716008e-05 1.58368150e-04] [ 2.72754042e-13 -6.25166585e-13 -2.22460939e-13] [-6.20403468e-13 -5.80867233e-14 2.46192148e-13] [-1.29563027e-13 -3.15971983e-04 -3.05904384e-04] [ 5.17728221e-14 -4.09394866e-04 4.20237752e-04] [-2.56794586e-13 4.09394867e-04 -4.20237752e-04] [ 3.63256300e-13 3.15971984e-04 3.05904382e-04] [ 2.46608353e-04 -3.45455607e-04 2.46672996e-04] [ 2.46608353e-04 3.45455607e-04 -2.46672996e-04] [-2.46608353e-04 -3.45455608e-04 2.46672996e-04] [-2.46608353e-04 3.45455607e-04 -2.46672995e-04] [ 5.70672520e-05 4.66757060e-05 -3.45521640e-04] [-5.70672518e-05 4.66757060e-05 -3.45521640e-04] [ 5.70672522e-05 -4.66757058e-05 3.45521641e-04] [-5.70672519e-05 -4.66757060e-05 3.45521641e-04] [-1.47568589e-14 -3.15971984e-04 -3.05904382e-04] [ 2.10813138e-13 -4.09394867e-04 4.20237752e-04] [ 3.61588797e-13 4.09394866e-04 -4.20237753e-04] [ 5.13217940e-14 3.15971984e-04 3.05904382e-04] [ 2.46608353e-04 -3.45455607e-04 2.46672996e-04] [ 2.46608354e-04 3.45455606e-04 -2.46672995e-04] [-2.46608354e-04 -3.45455607e-04 2.46672995e-04] [-2.46608354e-04 3.45455607e-04 -2.46672995e-04] [ 5.70672516e-05 4.66757060e-05 -3.45521641e-04] [-5.70672518e-05 4.66757060e-05 -3.45521641e-04] [ 5.70672516e-05 -4.66757059e-05 3.45521641e-04] [-5.70672507e-05 -4.66757070e-05 3.45521641e-04]] Final stress: [ 1.54196601e-05 -1.30752309e-05 1.54249763e-05 -1.61802809e-05 1.46297241e-16 5.15365280e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.81072659e-04 2.43498798e-14 3.02431691e-14] [-6.81072658e-04 -4.57134330e-14 4.09672296e-14] [ 2.84874121e-13 -6.87256789e-04 -2.94653400e-05] [ 3.44613227e-13 6.87256788e-04 2.94653394e-05] [ 4.49667213e-13 -2.91781861e-05 6.83976196e-04] [ 1.08302256e-13 2.91781864e-05 -6.83976196e-04] [ 6.81072658e-04 -1.58482168e-13 -5.10476524e-15] [-6.81072659e-04 -1.54876112e-14 -2.25432592e-13] [-2.62467999e-13 -6.87256788e-04 -2.94653397e-05] [-2.60777511e-13 6.87256789e-04 2.94653397e-05] [-1.53368637e-13 -2.91781865e-05 6.83976197e-04] [-8.20684666e-14 2.91781863e-05 -6.83976196e-04] [ 1.54323899e-04 -3.24820727e-04 -6.57218855e-04] [ 8.79168190e-04 -2.69911179e-04 -6.46064110e-05] [ 8.79168190e-04 2.69911178e-04 6.46064114e-05] [ 1.54323898e-04 3.24820727e-04 6.57218856e-04] [-8.79168190e-04 2.69911178e-04 6.46064114e-05] [-1.54323898e-04 3.24820727e-04 6.57218855e-04] [-8.79168189e-04 -2.69911179e-04 -6.46064105e-05] [-1.54323899e-04 -3.24820727e-04 -6.57218855e-04] [ 1.54323898e-04 -3.24820727e-04 -6.57218856e-04] [ 8.79168189e-04 -2.69911178e-04 -6.46064110e-05] [ 8.79168189e-04 2.69911179e-04 6.46064110e-05] [ 1.54323898e-04 3.24820727e-04 6.57218855e-04] [-8.79168190e-04 2.69911179e-04 6.46064110e-05] [-1.54323899e-04 3.24820727e-04 6.57218855e-04] [-8.79168190e-04 -2.69911178e-04 -6.46064112e-05] [-1.54323899e-04 -3.24820727e-04 -6.57218855e-04] [ 8.57536264e-13 -1.59233737e-13 3.84914323e-13] [ 5.36225144e-13 -1.87005759e-13 -1.70671343e-12] [ 1.21636035e-12 7.00936893e-04 -2.65461219e-04] [ 1.11173570e-12 2.11169253e-04 -1.17272097e-03] [ 1.21340958e-12 -2.11169254e-04 1.17272097e-03] [ 1.00510225e-12 -7.00936893e-04 2.65461219e-04] [-5.56905893e-04 1.45153829e-03 -5.56466442e-04] [-5.56905895e-04 -1.45153829e-03 5.56466439e-04] [ 5.56905895e-04 1.45153829e-03 -5.56466441e-04] [ 5.56905895e-04 -1.45153829e-03 5.56466440e-04] [-7.19533507e-04 2.44882467e-04 1.45283497e-03] [ 7.19533509e-04 2.44882468e-04 1.45283497e-03] [-7.19533507e-04 -2.44882466e-04 -1.45283497e-03] [ 7.19533508e-04 -2.44882467e-04 -1.45283497e-03] [ 1.56359734e-13 7.00936892e-04 -2.65461218e-04] [-1.74673644e-14 2.11169254e-04 -1.17272097e-03] [-5.91630911e-13 -2.11169253e-04 1.17272097e-03] [-1.08728087e-12 -7.00936895e-04 2.65461221e-04] [-5.56905896e-04 1.45153829e-03 -5.56466439e-04] [-5.56905896e-04 -1.45153829e-03 5.56466439e-04] [ 5.56905895e-04 1.45153829e-03 -5.56466441e-04] [ 5.56905894e-04 -1.45153829e-03 5.56466441e-04] [-7.19533508e-04 2.44882467e-04 1.45283497e-03] [ 7.19533507e-04 2.44882466e-04 1.45283497e-03] [-7.19533508e-04 -2.44882467e-04 -1.45283497e-03] [ 7.19533507e-04 -2.44882466e-04 -1.45283497e-03]] Final stress: [-1.54133472e-05 3.14694773e-05 -1.53977634e-05 1.74299955e-05 6.58386636e-16 -3.02591838e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.73198387e-04 5.32044027e-14 -2.51326737e-14] [-1.73198387e-04 -1.63757896e-15 7.64943664e-14] [-8.69903108e-14 -4.05217923e-04 6.38488020e-05] [-6.26165786e-14 4.05217923e-04 -6.38488020e-05] [ 4.10045262e-15 6.43046251e-05 1.74228029e-04] [ 5.25968158e-14 -6.43046249e-05 -1.74228030e-04] [ 1.73198387e-04 4.82907984e-14 -4.35219696e-14] [-1.73198387e-04 4.21737298e-14 -6.81658319e-14] [ 1.11429962e-14 -4.05217923e-04 6.38488021e-05] [ 4.54545256e-14 4.05217923e-04 -6.38488022e-05] [-1.02894689e-13 6.43046250e-05 1.74228029e-04] [-4.67273789e-14 -6.43046251e-05 -1.74228030e-04] [-4.29115872e-04 1.07249386e-04 -9.34310807e-05] [-9.23461415e-05 4.19855936e-05 -2.42371793e-04] [-9.23461414e-05 -4.19855937e-05 2.42371793e-04] [-4.29115872e-04 -1.07249387e-04 9.34310807e-05] [ 9.23461414e-05 -4.19855935e-05 2.42371793e-04] [ 4.29115872e-04 -1.07249386e-04 9.34310806e-05] [ 9.23461414e-05 4.19855935e-05 -2.42371793e-04] [ 4.29115872e-04 1.07249386e-04 -9.34310808e-05] [-4.29115872e-04 1.07249386e-04 -9.34310808e-05] [-9.23461414e-05 4.19855936e-05 -2.42371793e-04] [-9.23461413e-05 -4.19855937e-05 2.42371793e-04] [-4.29115872e-04 -1.07249387e-04 9.34310806e-05] [ 9.23461416e-05 -4.19855936e-05 2.42371793e-04] [ 4.29115872e-04 -1.07249387e-04 9.34310806e-05] [ 9.23461415e-05 4.19855937e-05 -2.42371793e-04] [ 4.29115872e-04 1.07249386e-04 -9.34310808e-05] [-9.08162434e-14 1.56458180e-13 7.02021774e-13] [-2.01131646e-13 4.55356239e-14 2.87879305e-13] [-1.95066185e-13 -2.37636188e-04 -4.93943314e-04] [ 2.14502027e-13 -3.32600393e-04 7.46754771e-05] [-1.73118464e-13 3.32600392e-04 -7.46754771e-05] [ 1.64488215e-13 2.37636187e-04 4.93943315e-04] [-2.66048108e-04 -5.22263412e-04 -2.65983462e-04] [-2.66048108e-04 5.22263412e-04 2.65983461e-04] [ 2.66048108e-04 -5.22263412e-04 -2.65983461e-04] [ 2.66048108e-04 5.22263412e-04 2.65983462e-04] [-2.09704921e-04 4.74749298e-05 -5.22020465e-04] [ 2.09704921e-04 4.74749303e-05 -5.22020465e-04] [-2.09704921e-04 -4.74749294e-05 5.22020466e-04] [ 2.09704921e-04 -4.74749296e-05 5.22020466e-04] [ 1.48992364e-13 -2.37636187e-04 -4.93943314e-04] [-1.03385182e-14 -3.32600394e-04 7.46754758e-05] [-1.89119553e-14 3.32600393e-04 -7.46754765e-05] [-2.37032616e-13 2.37636187e-04 4.93943315e-04] [-2.66048108e-04 -5.22263412e-04 -2.65983461e-04] [-2.66048109e-04 5.22263411e-04 2.65983460e-04] [ 2.66048108e-04 -5.22263412e-04 -2.65983461e-04] [ 2.66048108e-04 5.22263412e-04 2.65983461e-04] [-2.09704921e-04 4.74749292e-05 -5.22020465e-04] [ 2.09704920e-04 4.74749290e-05 -5.22020465e-04] [-2.09704920e-04 -4.74749284e-05 5.22020465e-04] [ 2.09704920e-04 -4.74749292e-05 5.22020466e-04]] Final stress: [-1.49816479e-05 1.30550462e-05 -1.49775707e-05 -1.67344727e-05 -2.26112582e-16 4.15648128e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.96897706e-07 -4.07876857e-15 -5.62596158e-05] [ 5.96897601e-07 4.84612350e-14 5.62596158e-05] [ 4.67213074e-14 4.84205594e-04 -1.75926981e-14] [-5.79813975e-14 -4.84205594e-04 -4.91828800e-14] [-5.62596158e-05 4.58660887e-15 -5.96897525e-07] [ 5.62596157e-05 -5.68434189e-14 5.96897702e-07] [-5.96897139e-07 -2.13427366e-14 -5.62596158e-05] [ 5.96897529e-07 3.49980461e-15 5.62596158e-05] [-1.08571572e-13 4.84205594e-04 8.52817527e-14] [ 2.42709498e-14 -4.84205594e-04 1.13264549e-14] [-5.62596158e-05 3.40152802e-14 -5.96897177e-07] [ 5.62596158e-05 9.27882298e-14 5.96897727e-07] [ 1.35627544e-04 2.44513143e-04 1.35627544e-04] [-1.73664182e-04 3.90570633e-04 1.73664182e-04] [-1.35627543e-04 2.44513142e-04 -1.35627544e-04] [ 1.73664182e-04 3.90570634e-04 -1.73664182e-04] [ 1.73664182e-04 -3.90570634e-04 -1.73664182e-04] [-1.35627544e-04 -2.44513143e-04 -1.35627543e-04] [ 1.35627544e-04 -2.44513143e-04 1.35627544e-04] [-1.73664182e-04 -3.90570634e-04 1.73664182e-04] [ 1.35627544e-04 2.44513143e-04 1.35627543e-04] [-1.73664182e-04 3.90570633e-04 1.73664182e-04] [-1.35627544e-04 2.44513143e-04 -1.35627544e-04] [ 1.73664182e-04 3.90570633e-04 -1.73664182e-04] [ 1.73664182e-04 -3.90570633e-04 -1.73664182e-04] [-1.35627544e-04 -2.44513143e-04 -1.35627544e-04] [ 1.35627543e-04 -2.44513143e-04 1.35627543e-04] [-1.73664182e-04 -3.90570633e-04 1.73664182e-04] [ 2.16410223e-13 -3.54882790e-13 -1.39721568e-13] [-5.01773970e-13 -1.09524679e-13 -6.08450960e-13] [ 3.62163002e-04 1.28272143e-04 -2.78168863e-05] [ 3.62163002e-04 -1.28272143e-04 -2.78168857e-05] [-3.62163002e-04 1.28272143e-04 2.78168860e-05] [-3.62163002e-04 -1.28272142e-04 2.78168851e-05] [ 5.93923448e-04 2.87214696e-13 5.93923448e-04] [-1.20672080e-04 2.71936987e-13 1.20672081e-04] [ 1.20672081e-04 1.31080910e-13 -1.20672080e-04] [-5.93923448e-04 1.72282327e-13 -5.93923448e-04] [-2.78168850e-05 1.28272142e-04 3.62163003e-04] [ 2.78168854e-05 1.28272142e-04 -3.62163002e-04] [-2.78168850e-05 -1.28272142e-04 3.62163002e-04] [ 2.78168849e-05 -1.28272142e-04 -3.62163002e-04] [ 3.62163002e-04 1.28272143e-04 -2.78168855e-05] [ 3.62163002e-04 -1.28272143e-04 -2.78168857e-05] [-3.62163003e-04 1.28272142e-04 2.78168848e-05] [-3.62163003e-04 -1.28272142e-04 2.78168849e-05] [ 5.93923448e-04 -4.21175008e-13 5.93923448e-04] [-1.20672080e-04 -2.98577569e-13 1.20672081e-04] [ 1.20672080e-04 -9.03417965e-14 -1.20672081e-04] [-5.93923449e-04 -3.71824967e-14 -5.93923447e-04] [-2.78168852e-05 1.28272142e-04 3.62163002e-04] [ 2.78168850e-05 1.28272142e-04 -3.62163002e-04] [-2.78168859e-05 -1.28272143e-04 3.62163002e-04] [ 2.78168858e-05 -1.28272143e-04 -3.62163002e-04]] Final stress: [ 1.57073184e-05 -1.33284983e-05 1.57073184e-05 1.56272053e-16 1.67021968e-05 -2.75969795e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.16374701e-06 6.19083777e-14 4.80723369e-05] [ 1.16374705e-06 2.54241073e-14 -4.80723368e-05] [-9.87998745e-14 4.86498038e-04 -1.76399693e-14] [-5.41788836e-14 -4.86498038e-04 -5.16808818e-14] [ 4.80723370e-05 -5.46316464e-14 -1.16374699e-06] [-4.80723369e-05 -2.70894418e-14 1.16374704e-06] [-1.16374698e-06 3.06569006e-14 4.80723368e-05] [ 1.16374713e-06 -4.65912031e-14 -4.80723369e-05] [ 7.85569526e-14 4.86498038e-04 9.88229747e-14] [ 1.53133149e-13 -4.86498038e-04 3.73287527e-14] [ 4.80723368e-05 2.37688262e-14 -1.16374705e-06] [-4.80723370e-05 1.21134682e-13 1.16374738e-06] [ 1.76369078e-04 -3.96368916e-04 1.76369078e-04] [-1.33177144e-04 -2.49127688e-04 1.33177144e-04] [-1.76369078e-04 -3.96368917e-04 -1.76369078e-04] [ 1.33177144e-04 -2.49127688e-04 -1.33177144e-04] [ 1.33177144e-04 2.49127688e-04 -1.33177145e-04] [-1.76369078e-04 3.96368917e-04 -1.76369078e-04] [ 1.76369078e-04 3.96368916e-04 1.76369078e-04] [-1.33177145e-04 2.49127688e-04 1.33177144e-04] [ 1.76369078e-04 -3.96368917e-04 1.76369078e-04] [-1.33177144e-04 -2.49127688e-04 1.33177144e-04] [-1.76369078e-04 -3.96368916e-04 -1.76369078e-04] [ 1.33177144e-04 -2.49127688e-04 -1.33177145e-04] [ 1.33177144e-04 2.49127688e-04 -1.33177144e-04] [-1.76369078e-04 3.96368916e-04 -1.76369078e-04] [ 1.76369078e-04 3.96368917e-04 1.76369078e-04] [-1.33177144e-04 2.49127688e-04 1.33177144e-04] [-2.44027021e-13 -7.99915689e-14 -2.28705943e-14] [-2.63664524e-13 -5.23535571e-13 -4.34708052e-13] [-3.65200788e-04 1.42842359e-04 -4.28626911e-05] [-3.65200788e-04 -1.42842359e-04 -4.28626908e-05] [ 3.65200788e-04 1.42842359e-04 4.28626914e-05] [ 3.65200788e-04 -1.42842359e-04 4.28626907e-05] [-1.21477886e-04 4.91828800e-14 -1.21477887e-04] [ 5.91231933e-04 1.26093580e-13 -5.91231933e-04] [-5.91231934e-04 -4.76566703e-13 5.91231932e-04] [ 1.21477886e-04 -5.40817391e-14 1.21477888e-04] [-4.28626918e-05 1.42842360e-04 -3.65200788e-04] [ 4.28626923e-05 1.42842361e-04 3.65200788e-04] [-4.28626920e-05 -1.42842361e-04 -3.65200788e-04] [ 4.28626921e-05 -1.42842361e-04 3.65200788e-04] [-3.65200788e-04 1.42842360e-04 -4.28626921e-05] [-3.65200788e-04 -1.42842360e-04 -4.28626920e-05] [ 3.65200788e-04 1.42842361e-04 4.28626927e-05] [ 3.65200788e-04 -1.42842361e-04 4.28626920e-05] [-1.21477887e-04 -3.45446118e-13 -1.21477886e-04] [ 5.91231932e-04 -1.15422429e-13 -5.91231935e-04] [-5.91231933e-04 -4.01011689e-14 5.91231934e-04] [ 1.21477887e-04 8.09825297e-14 1.21477887e-04] [-4.28626908e-05 1.42842359e-04 -3.65200788e-04] [ 4.28626906e-05 1.42842359e-04 3.65200788e-04] [-4.28626908e-05 -1.42842359e-04 -3.65200788e-04] [ 4.28626916e-05 -1.42842360e-04 3.65200788e-04]] Final stress: [ 1.57560871e-05 -1.33730872e-05 1.57560871e-05 5.15365280e-17 -1.67902096e-05 -6.15113399e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.25766767e-04 3.17763220e-12 2.22914220e-02] [ 3.25766763e-04 9.59340940e-12 -2.22914220e-02] [-1.20113123e-11 -2.67543664e-02 8.97676898e-13] [-1.78272397e-11 2.67543664e-02 -6.72609191e-12] [ 2.22914220e-02 2.55451606e-12 -3.25766781e-04] [-2.22914220e-02 1.42566792e-11 3.25766764e-04] [-3.25766777e-04 -8.79402887e-13 2.22914220e-02] [ 3.25766807e-04 -4.62734712e-12 -2.22914220e-02] [ 1.28748947e-11 -2.67543664e-02 -3.34075297e-12] [ 1.50594277e-11 2.67543664e-02 3.04663761e-12] [ 2.22914220e-02 -3.03800347e-12 -3.25766780e-04] [-2.22914220e-02 -1.29611811e-11 3.25766779e-04] [-1.49155662e-02 3.74455515e-02 -1.49155662e-02] [ 2.20963437e-03 2.60739410e-02 -2.20963438e-03] [ 1.49155662e-02 3.74455515e-02 1.49155662e-02] [-2.20963439e-03 2.60739410e-02 2.20963438e-03] [-2.20963439e-03 -2.60739410e-02 2.20963437e-03] [ 1.49155662e-02 -3.74455515e-02 1.49155662e-02] [-1.49155662e-02 -3.74455515e-02 -1.49155662e-02] [ 2.20963436e-03 -2.60739410e-02 -2.20963438e-03] [-1.49155662e-02 3.74455515e-02 -1.49155662e-02] [ 2.20963437e-03 2.60739410e-02 -2.20963439e-03] [ 1.49155662e-02 3.74455515e-02 1.49155662e-02] [-2.20963438e-03 2.60739410e-02 2.20963437e-03] [-2.20963438e-03 -2.60739410e-02 2.20963437e-03] [ 1.49155662e-02 -3.74455515e-02 1.49155662e-02] [-1.49155662e-02 -3.74455515e-02 -1.49155662e-02] [ 2.20963438e-03 -2.60739410e-02 -2.20963440e-03] [-8.47266701e-13 2.34861020e-11 8.03751510e-12] [-1.58656530e-11 -3.11486320e-12 -6.97593000e-12] [ 2.68780885e-02 -8.48866556e-03 1.24482264e-02] [ 2.68780884e-02 8.48866556e-03 1.24482264e-02] [-2.68780885e-02 -8.48866563e-03 -1.24482264e-02] [-2.68780885e-02 8.48866562e-03 -1.24482264e-02] [ 2.01420647e-02 3.36008998e-12 2.01420647e-02] [-2.72433093e-02 1.69041690e-12 2.72433092e-02] [ 2.72433092e-02 7.17846789e-12 -2.72433093e-02] [-2.01420647e-02 1.56809843e-11 -2.01420647e-02] [ 1.24482264e-02 -8.48866555e-03 2.68780885e-02] [-1.24482264e-02 -8.48866556e-03 -2.68780885e-02] [ 1.24482264e-02 8.48866555e-03 2.68780884e-02] [-1.24482264e-02 8.48866556e-03 -2.68780884e-02] [ 2.68780885e-02 -8.48866559e-03 1.24482264e-02] [ 2.68780885e-02 8.48866557e-03 1.24482264e-02] [-2.68780884e-02 -8.48866555e-03 -1.24482263e-02] [-2.68780884e-02 8.48866556e-03 -1.24482264e-02] [ 2.01420647e-02 -7.32748740e-12 2.01420647e-02] [-2.72433092e-02 4.25009116e-12 2.72433092e-02] [ 2.72433093e-02 7.36376021e-12 -2.72433092e-02] [-2.01420647e-02 -6.40087289e-12 -2.01420647e-02] [ 1.24482264e-02 -8.48866562e-03 2.68780885e-02] [-1.24482263e-02 -8.48866555e-03 -2.68780884e-02] [ 1.24482264e-02 8.48866559e-03 2.68780885e-02] [-1.24482264e-02 8.48866557e-03 -2.68780884e-02]] Final stress: [-2.38969952e-04 7.65798219e-04 -2.38969952e-04 3.74582093e-15 1.80427748e-04 -1.18044068e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.87396095e-04 -1.04547447e-14 -5.62964729e-04] [-3.87396096e-04 1.13770104e-13 5.62964729e-04] [ 2.21342476e-13 -1.01375363e-03 -2.19717473e-13] [ 1.50518487e-13 1.01375363e-03 1.06081810e-13] [-5.62964729e-04 -8.88399597e-14 3.87396095e-04] [ 5.62964729e-04 -6.35713704e-13 -3.87396097e-04] [ 3.87396096e-04 2.22786199e-14 -5.62964729e-04] [-3.87396095e-04 1.11282511e-15 5.62964729e-04] [-2.53715885e-13 -1.01375363e-03 1.80435080e-13] [-1.98706936e-13 1.01375363e-03 -3.42579957e-13] [-5.62964730e-04 3.01711748e-13 3.87396096e-04] [ 5.62964729e-04 4.75883820e-13 -3.87396095e-04] [ 1.48402378e-05 -9.98749036e-04 1.48402379e-05] [ 7.88342638e-04 -1.11276185e-03 -7.88342640e-04] [-1.48402365e-05 -9.98749037e-04 -1.48402365e-05] [-7.88342638e-04 -1.11276185e-03 7.88342639e-04] [-7.88342639e-04 1.11276185e-03 7.88342639e-04] [-1.48402365e-05 9.98749036e-04 -1.48402362e-05] [ 1.48402378e-05 9.98749036e-04 1.48402372e-05] [ 7.88342638e-04 1.11276185e-03 -7.88342639e-04] [ 1.48402370e-05 -9.98749037e-04 1.48402367e-05] [ 7.88342639e-04 -1.11276185e-03 -7.88342638e-04] [-1.48402377e-05 -9.98749036e-04 -1.48402377e-05] [-7.88342639e-04 -1.11276185e-03 7.88342638e-04] [-7.88342639e-04 1.11276185e-03 7.88342638e-04] [-1.48402377e-05 9.98749036e-04 -1.48402377e-05] [ 1.48402370e-05 9.98749037e-04 1.48402373e-05] [ 7.88342638e-04 1.11276185e-03 -7.88342639e-04] [ 1.39876999e-12 5.94274630e-13 1.64404601e-12] [-1.48565838e-12 -1.82042111e-13 -1.64780106e-12] [-1.50742162e-03 2.10657597e-04 -5.27140891e-04] [-1.50742162e-03 -2.10657596e-04 -5.27140891e-04] [ 1.50742162e-03 2.10657593e-04 5.27140889e-04] [ 1.50742162e-03 -2.10657595e-04 5.27140891e-04] [-1.15205790e-03 -1.19948496e-12 -1.15205790e-03] [ 8.14233737e-05 1.32441454e-12 -8.14233754e-05] [-8.14233751e-05 -1.45340857e-12 8.14233731e-05] [ 1.15205790e-03 -3.17112656e-13 1.15205791e-03] [-5.27140888e-04 2.10657593e-04 -1.50742162e-03] [ 5.27140890e-04 2.10657595e-04 1.50742162e-03] [-5.27140891e-04 -2.10657596e-04 -1.50742162e-03] [ 5.27140891e-04 -2.10657595e-04 1.50742162e-03] [-1.50742162e-03 2.10657596e-04 -5.27140891e-04] [-1.50742162e-03 -2.10657596e-04 -5.27140891e-04] [ 1.50742162e-03 2.10657596e-04 5.27140892e-04] [ 1.50742162e-03 -2.10657593e-04 5.27140888e-04] [-1.15205790e-03 9.66485739e-13 -1.15205790e-03] [ 8.14233751e-05 -8.77180273e-13 -8.14233742e-05] [-8.14233749e-05 2.22599153e-12 8.14233744e-05] [ 1.15205790e-03 4.39134840e-13 1.15205790e-03] [-5.27140890e-04 2.10657594e-04 -1.50742162e-03] [ 5.27140890e-04 2.10657595e-04 1.50742162e-03] [-5.27140889e-04 -2.10657592e-04 -1.50742162e-03] [ 5.27140892e-04 -2.10657595e-04 1.50742162e-03]] Final stress: [-1.88246241e-05 3.54179404e-05 -1.88246241e-05 4.38924424e-16 -2.33791215e-05 -1.34669994e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.80447169e-06 -1.03186263e-04 -4.24577908e-14] [-1.80447213e-06 1.03186263e-04 2.68118860e-14] [-1.03808419e-04 4.71589581e-04 8.04465002e-14] [ 1.03808419e-04 -4.71589581e-04 6.10622664e-16] [ 7.06388073e-14 -1.18464266e-14 9.63862756e-07] [ 1.57651669e-14 2.55906407e-14 -9.63863333e-07] [ 1.80447160e-06 -1.03186263e-04 6.60943375e-14] [-1.80447143e-06 1.03186263e-04 1.63135138e-14] [-1.03808419e-04 4.71589581e-04 -3.84714094e-14] [ 1.03808419e-04 -4.71589581e-04 3.02860553e-14] [-1.24205334e-13 6.43916858e-14 9.63863469e-07] [-4.56175896e-14 5.50414819e-15 -9.63863304e-07] [ 1.49579197e-04 -7.33690644e-05 4.40186125e-04] [-1.49579198e-04 7.33690643e-05 4.40186125e-04] [-1.58368145e-04 -6.48716044e-05 1.32977945e-04] [ 1.58368146e-04 6.48716040e-05 1.32977945e-04] [ 1.49579197e-04 -7.33690646e-05 -4.40186125e-04] [-1.49579197e-04 7.33690645e-05 -4.40186125e-04] [ 1.58368146e-04 6.48716040e-05 -1.32977945e-04] [-1.58368146e-04 -6.48716041e-05 -1.32977945e-04] [ 1.49579197e-04 -7.33690646e-05 4.40186125e-04] [-1.49579198e-04 7.33690644e-05 4.40186125e-04] [-1.58368146e-04 -6.48716039e-05 1.32977945e-04] [ 1.58368146e-04 6.48716041e-05 1.32977945e-04] [ 1.49579198e-04 -7.33690646e-05 -4.40186125e-04] [-1.49579198e-04 7.33690644e-05 -4.40186125e-04] [ 1.58368146e-04 6.48716042e-05 -1.32977945e-04] [-1.58368146e-04 -6.48716041e-05 -1.32977945e-04] [ 6.10483886e-13 -5.36515277e-14 8.01220201e-13] [-3.71636749e-13 2.35206345e-13 -1.46399354e-13] [ 3.45521636e-04 4.66756835e-05 5.70672746e-05] [-3.45521635e-04 -4.66756836e-05 5.70672742e-05] [ 3.45521636e-04 4.66756827e-05 -5.70672750e-05] [-3.45521635e-04 -4.66756830e-05 -5.70672746e-05] [ 2.46673000e-04 3.45455602e-04 2.46608354e-04] [ 2.46672999e-04 3.45455602e-04 -2.46608355e-04] [-2.46672999e-04 -3.45455602e-04 2.46608354e-04] [-2.46672999e-04 -3.45455602e-04 -2.46608355e-04] [ 4.20237776e-04 4.09394846e-04 2.46580534e-13] [ 3.05904362e-04 -3.15972007e-04 -8.40889858e-14] [-3.05904362e-04 3.15972008e-04 -2.29573305e-14] [-4.20237776e-04 -4.09394846e-04 8.31106017e-15] [ 3.45521636e-04 4.66756839e-05 5.70672737e-05] [-3.45521636e-04 -4.66756844e-05 5.70672732e-05] [ 3.45521636e-04 4.66756843e-05 -5.70672731e-05] [-3.45521636e-04 -4.66756844e-05 -5.70672729e-05] [ 2.46672998e-04 3.45455602e-04 2.46608356e-04] [ 2.46672998e-04 3.45455602e-04 -2.46608356e-04] [-2.46672998e-04 -3.45455602e-04 2.46608356e-04] [-2.46672998e-04 -3.45455602e-04 -2.46608355e-04] [ 4.20237777e-04 4.09394845e-04 3.83666787e-13] [ 3.05904360e-04 -3.15972009e-04 5.83300274e-13] [-3.05904361e-04 3.15972008e-04 4.41334760e-13] [-4.20237778e-04 -4.09394844e-04 7.04453423e-13]] Final stress: [ 1.54249762e-05 -1.30752308e-05 1.54196601e-05 -3.98992475e-17 -1.97833769e-16 1.61802808e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.80446841e-06 1.03186252e-04 1.92658389e-14] [-1.80446878e-06 -1.03186252e-04 4.69624339e-14] [ 1.03808408e-04 4.71589584e-04 2.26424782e-14] [-1.03808408e-04 -4.71589584e-04 -1.59039448e-14] [-1.48190921e-13 -6.17960544e-14 9.63859857e-07] [-5.73152636e-14 -2.19546603e-14 -9.63860329e-07] [ 1.80446830e-06 1.03186252e-04 -3.26619539e-14] [-1.80446862e-06 -1.03186252e-04 -1.19338610e-13] [ 1.03808409e-04 4.71589585e-04 -3.10410968e-14] [-1.03808409e-04 -4.71589584e-04 -2.89742630e-14] [ 4.48382650e-15 4.00009126e-15 9.63860116e-07] [ 9.50975410e-14 1.99413328e-14 -9.63860164e-07] [ 1.58368150e-04 -6.48716007e-05 -1.32977951e-04] [-1.58368150e-04 6.48716005e-05 -1.32977951e-04] [-1.49579194e-04 -7.33690691e-05 -4.40186132e-04] [ 1.49579194e-04 7.33690692e-05 -4.40186132e-04] [ 1.58368150e-04 -6.48716008e-05 1.32977951e-04] [-1.58368150e-04 6.48716007e-05 1.32977951e-04] [ 1.49579194e-04 7.33690691e-05 4.40186132e-04] [-1.49579194e-04 -7.33690691e-05 4.40186132e-04] [ 1.58368150e-04 -6.48716006e-05 -1.32977951e-04] [-1.58368150e-04 6.48716009e-05 -1.32977951e-04] [-1.49579194e-04 -7.33690691e-05 -4.40186132e-04] [ 1.49579194e-04 7.33690692e-05 -4.40186132e-04] [ 1.58368150e-04 -6.48716005e-05 1.32977951e-04] [-1.58368150e-04 6.48716008e-05 1.32977951e-04] [ 1.49579194e-04 7.33690693e-05 4.40186132e-04] [-1.49579194e-04 -7.33690692e-05 4.40186132e-04] [ 1.71251902e-14 -1.50629509e-13 4.23022728e-13] [ 4.06502956e-13 -1.39710060e-14 -9.53840999e-14] [-3.45521641e-04 4.66757133e-05 5.70672451e-05] [ 3.45521642e-04 -4.66757131e-05 5.70672455e-05] [-3.45521641e-04 4.66757137e-05 -5.70672447e-05] [ 3.45521642e-04 -4.66757134e-05 -5.70672452e-05] [ 2.46672995e-04 -3.45455608e-04 2.46608353e-04] [ 2.46672995e-04 -3.45455608e-04 -2.46608353e-04] [-2.46672995e-04 3.45455608e-04 2.46608353e-04] [-2.46672995e-04 3.45455608e-04 -2.46608353e-04] [-3.05904389e-04 -3.15971977e-04 3.41504602e-13] [-4.20237746e-04 4.09394873e-04 2.34536349e-13] [ 4.20237746e-04 -4.09394873e-04 3.39955494e-13] [ 3.05904388e-04 3.15971977e-04 -9.68634895e-14] [-3.45521642e-04 4.66757128e-05 5.70672456e-05] [ 3.45521642e-04 -4.66757133e-05 5.70672451e-05] [-3.45521642e-04 4.66757127e-05 -5.70672456e-05] [ 3.45521642e-04 -4.66757127e-05 -5.70672458e-05] [ 2.46672996e-04 -3.45455608e-04 2.46608353e-04] [ 2.46672996e-04 -3.45455608e-04 -2.46608353e-04] [-2.46672996e-04 3.45455608e-04 2.46608352e-04] [-2.46672995e-04 3.45455608e-04 -2.46608353e-04] [-3.05904389e-04 -3.15971976e-04 6.41513170e-14] [-4.20237746e-04 4.09394873e-04 -1.02376339e-13] [ 4.20237745e-04 -4.09394874e-04 7.27068925e-14] [ 3.05904389e-04 3.15971976e-04 -8.91725929e-14]] Final stress: [ 1.54249763e-05 -1.30752309e-05 1.54196602e-05 7.81360264e-17 -2.01158706e-16 -1.61802809e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.00944955e-04 -5.81976785e-05 -1.24486792e-13] [-2.00944956e-04 5.81976786e-05 -3.03368441e-14] [-5.77638788e-05 -3.95000462e-04 -4.41599882e-14] [ 5.77638788e-05 3.95000462e-04 -8.07964806e-14] [ 2.09959220e-13 -5.66074965e-14 1.99885407e-04] [ 9.85045379e-14 -1.23512311e-14 -1.99885407e-04] [ 2.00944956e-04 -5.81976783e-05 7.14558736e-14] [-2.00944955e-04 5.81976783e-05 3.75914060e-14] [-5.77638787e-05 -3.95000462e-04 1.72694593e-14] [ 5.77638786e-05 3.95000462e-04 -1.57763257e-14] [-1.39971802e-13 7.06002698e-14 1.99885407e-04] [-1.31747044e-13 9.14076645e-14 -1.99885407e-04] [-2.54572085e-04 -5.77516723e-05 8.68367391e-05] [ 2.54572085e-04 5.77516728e-05 8.68367389e-05] [ 8.46348127e-05 1.12479225e-04 4.27044398e-04] [-8.46348123e-05 -1.12479226e-04 4.27044397e-04] [-2.54572085e-04 -5.77516726e-05 -8.68367390e-05] [ 2.54572086e-04 5.77516728e-05 -8.68367386e-05] [-8.46348120e-05 -1.12479226e-04 -4.27044398e-04] [ 8.46348126e-05 1.12479225e-04 -4.27044398e-04] [-2.54572085e-04 -5.77516728e-05 8.68367385e-05] [ 2.54572085e-04 5.77516725e-05 8.68367387e-05] [ 8.46348121e-05 1.12479226e-04 4.27044398e-04] [-8.46348128e-05 -1.12479225e-04 4.27044398e-04] [-2.54572085e-04 -5.77516726e-05 -8.68367389e-05] [ 2.54572085e-04 5.77516723e-05 -8.68367391e-05] [-8.46348125e-05 -1.12479225e-04 -4.27044397e-04] [ 8.46348124e-05 1.12479226e-04 -4.27044397e-04] [ 8.85458373e-13 -3.03979064e-13 2.65870659e-13] [-9.13177086e-13 2.19718781e-13 -5.53583205e-13] [ 5.48483800e-04 6.14515786e-05 -2.32003179e-04] [-5.48483801e-04 -6.14515785e-05 -2.32003178e-04] [ 5.48483800e-04 6.14515773e-05 2.32003178e-04] [-5.48483801e-04 -6.14515769e-05 2.32003177e-04] [-2.68557602e-04 5.48752390e-04 -2.68623297e-04] [-2.68557603e-04 5.48752391e-04 2.68623296e-04] [ 2.68557602e-04 -5.48752391e-04 -2.68623298e-04] [ 2.68557603e-04 -5.48752391e-04 2.68623297e-04] [ 4.07711847e-05 3.35031192e-04 -1.47881707e-13] [ 5.04641003e-04 -2.12121223e-04 -3.58171826e-13] [-5.04641002e-04 2.12121222e-04 -9.72973438e-13] [-4.07711859e-05 -3.35031191e-04 -3.92885377e-13] [ 5.48483801e-04 6.14515769e-05 -2.32003177e-04] [-5.48483800e-04 -6.14515779e-05 -2.32003178e-04] [ 5.48483801e-04 6.14515781e-05 2.32003178e-04] [-5.48483800e-04 -6.14515777e-05 2.32003178e-04] [-2.68557602e-04 5.48752391e-04 -2.68623297e-04] [-2.68557601e-04 5.48752391e-04 2.68623298e-04] [ 2.68557603e-04 -5.48752392e-04 -2.68623296e-04] [ 2.68557601e-04 -5.48752391e-04 2.68623298e-04] [ 4.07711855e-05 3.35031191e-04 5.80932215e-13] [ 5.04641004e-04 -2.12121221e-04 3.34764267e-13] [-5.04641003e-04 2.12121222e-04 6.64150697e-13] [-4.07711854e-05 -3.35031192e-04 3.77921652e-13]] Final stress: [-1.48750165e-05 1.30869521e-05 -1.48789932e-05 -6.31785155e-17 -3.65770353e-17 1.68167845e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.69007162e-04 6.54966478e-05 -9.91481203e-15] [-1.69007162e-04 -6.54966481e-05 -1.10522702e-13] [ 6.50365352e-05 -4.07206042e-04 -6.70592054e-14] [-6.50365349e-05 4.07206042e-04 -1.89626093e-13] [ 1.27558988e-13 -1.61914752e-13 1.67983360e-04] [ 8.21565038e-15 1.51267887e-14 -1.67983360e-04] [ 1.69007162e-04 6.54966478e-05 4.36081263e-14] [-1.69007162e-04 -6.54966477e-05 -8.49226336e-14] [ 6.50365350e-05 -4.07206042e-04 1.77640584e-14] [-6.50365354e-05 4.07206042e-04 7.90469404e-14] [-1.21334366e-13 -3.23501617e-14 1.67983361e-04] [ 4.39752401e-15 -6.94632662e-17 -1.67983360e-04] [-9.51474910e-05 1.06226281e-04 -4.29512126e-04] [ 9.51474909e-05 -1.06226281e-04 -4.29512126e-04] [ 2.39984395e-04 -3.89049866e-05 -9.34200301e-05] [-2.39984395e-04 3.89049865e-05 -9.34200304e-05] [-9.51474912e-05 1.06226281e-04 4.29512126e-04] [ 9.51474913e-05 -1.06226281e-04 4.29512126e-04] [-2.39984395e-04 3.89049861e-05 9.34200305e-05] [ 2.39984395e-04 -3.89049862e-05 9.34200300e-05] [-9.51474915e-05 1.06226281e-04 -4.29512126e-04] [ 9.51474911e-05 -1.06226281e-04 -4.29512126e-04] [ 2.39984395e-04 -3.89049858e-05 -9.34200302e-05] [-2.39984395e-04 3.89049864e-05 -9.34200300e-05] [-9.51474915e-05 1.06226282e-04 4.29512126e-04] [ 9.51474910e-05 -1.06226281e-04 4.29512126e-04] [-2.39984395e-04 3.89049865e-05 9.34200299e-05] [ 2.39984395e-04 -3.89049864e-05 9.34200302e-05] [ 4.20080637e-13 -2.30204744e-13 2.58904009e-13] [-4.36815948e-13 3.65594166e-13 -9.42416728e-13] [-5.16841784e-04 4.47449350e-05 -2.05345968e-04] [ 5.16841784e-04 -4.47449361e-05 -2.05345969e-04] [-5.16841784e-04 4.47449346e-05 2.05345968e-04] [ 5.16841784e-04 -4.47449355e-05 2.05345968e-04] [-2.65476043e-04 -5.17079742e-04 -2.65540522e-04] [-2.65476043e-04 -5.17079742e-04 2.65540523e-04] [ 2.65476043e-04 5.17079741e-04 -2.65540523e-04] [ 2.65476043e-04 5.17079741e-04 2.65540523e-04] [-4.91844434e-04 -2.42614147e-04 2.94209102e-13] [-8.12956118e-05 3.32119802e-04 -1.49298976e-13] [ 8.12956112e-05 -3.32119804e-04 8.11312822e-14] [ 4.91844433e-04 2.42614148e-04 -5.35266276e-13] [-5.16841784e-04 4.47449351e-05 -2.05345968e-04] [ 5.16841784e-04 -4.47449354e-05 -2.05345968e-04] [-5.16841784e-04 4.47449354e-05 2.05345968e-04] [ 5.16841785e-04 -4.47449347e-05 2.05345968e-04] [-2.65476043e-04 -5.17079742e-04 -2.65540523e-04] [-2.65476042e-04 -5.17079742e-04 2.65540524e-04] [ 2.65476043e-04 5.17079742e-04 -2.65540523e-04] [ 2.65476044e-04 5.17079742e-04 2.65540522e-04] [-4.91844434e-04 -2.42614146e-04 2.38288126e-13] [-8.12956110e-05 3.32119804e-04 3.96797233e-13] [ 8.12956123e-05 -3.32119803e-04 2.29911793e-13] [ 4.91844433e-04 2.42614148e-04 1.67370458e-13]] Final stress: [-1.49975686e-05 1.30484900e-05 -1.50016666e-05 -5.81907380e-17 2.57701840e-16 -1.67184027e-05] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.97521383e-03 -9.46404413e-14 1.27629244e-13] [ 5.97521383e-03 -2.60097499e-13 1.71862524e-13] [ 8.57499835e-14 -5.97521383e-03 1.30504982e-13] [ 1.83381088e-13 5.97521383e-03 1.23401289e-13] [ 1.09354366e-13 1.26436188e-13 -8.85501157e-03] [ 2.67980083e-13 -4.05842027e-13 8.85501157e-03] [-5.97521383e-03 -1.61746918e-13 -2.92854308e-14] [ 5.97521383e-03 -1.65325652e-13 1.41083753e-13] [-2.52406169e-13 -5.97521383e-03 -1.22674291e-13] [-3.13447185e-14 5.97521383e-03 2.01789230e-13] [-1.48596413e-14 -1.85968943e-13 -8.85501157e-03] [-1.01055015e-13 -2.56591810e-13 8.85501157e-03] [-2.87670987e-03 -2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 -2.87670987e-03 -1.88239335e-03] [-2.87670987e-03 2.87670987e-03 -1.88239335e-03] [-2.87670987e-03 -2.87670987e-03 -1.88239335e-03] [ 2.87670987e-03 2.87670987e-03 -1.88239334e-03] [-2.87670987e-03 2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 -2.87670987e-03 1.88239334e-03] [-2.87670987e-03 -2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 -2.87670987e-03 -1.88239334e-03] [-2.87670987e-03 2.87670987e-03 -1.88239334e-03] [-2.87670987e-03 -2.87670987e-03 -1.88239334e-03] [ 2.87670987e-03 2.87670987e-03 -1.88239334e-03] [-2.87670987e-03 2.87670987e-03 1.88239334e-03] [ 2.87670987e-03 -2.87670987e-03 1.88239334e-03] [ 1.73194792e-14 -2.73558953e-13 -3.10557136e-13] [-1.53608463e-13 3.97991000e-13 -1.88354312e-13] [-1.48769885e-14 -1.11066796e-03 -1.70473702e-03] [ 4.56346766e-13 1.11066796e-03 -1.70473702e-03] [ 4.08962794e-13 -1.11066796e-03 1.70473702e-03] [ 6.65370536e-14 1.11066796e-03 1.70473702e-03] [-1.11066796e-03 1.08912879e-13 -1.70473702e-03] [-1.11066796e-03 -5.33078789e-13 1.70473702e-03] [ 1.11066796e-03 8.30759073e-14 -1.70473702e-03] [ 1.11066796e-03 -7.57727214e-14 1.70473702e-03] [-6.51487596e-03 -6.51487596e-03 -1.25899291e-13] [ 6.51487596e-03 -6.51487596e-03 3.66125533e-13] [-6.51487596e-03 6.51487596e-03 -1.81559628e-13] [ 6.51487596e-03 6.51487596e-03 1.17626395e-13] [ 2.22751505e-14 -1.11066796e-03 -1.70473702e-03] [-1.80275933e-13 1.11066796e-03 -1.70473702e-03] [-1.10633724e-13 -1.11066796e-03 1.70473702e-03] [ 1.35102433e-13 1.11066796e-03 1.70473702e-03] [-1.11066796e-03 3.59374540e-13 -1.70473702e-03] [-1.11066796e-03 9.91609139e-14 1.70473702e-03] [ 1.11066796e-03 4.57133029e-13 -1.70473702e-03] [ 1.11066796e-03 -1.72140947e-14 1.70473702e-03] [-6.51487596e-03 -6.51487596e-03 -4.97035950e-13] [ 6.51487596e-03 -6.51487596e-03 -2.00655569e-13] [-6.51487596e-03 6.51487596e-03 -3.36449998e-13] [ 6.51487596e-03 6.51487596e-03 4.27613674e-14]] Final stress: [-4.39804755e-05 -4.39804755e-05 3.30532030e-04 4.73856519e-16 -1.74578718e-16 -4.32290158e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.63864347e-07 -1.10016163e-14 6.08020578e-15] [-9.63864214e-07 -1.36862743e-13 -8.09352585e-14] [ 7.41941231e-15 1.80447279e-06 -1.03186247e-04] [ 1.20015109e-13 -1.80447204e-06 1.03186247e-04] [-2.29243707e-14 -1.03808403e-04 4.71589585e-04] [ 3.16413562e-14 1.03808403e-04 -4.71589586e-04] [ 9.63863968e-07 -3.60844167e-14 -2.20957488e-14] [-9.63864489e-07 9.75495726e-14 -1.76638423e-14] [ 1.20025517e-14 1.80447239e-06 -1.03186247e-04] [-1.50992933e-13 -1.80447298e-06 1.03186247e-04] [-1.94826794e-14 -1.03808403e-04 4.71589585e-04] [ 5.56009232e-14 1.03808403e-04 -4.71589585e-04] [ 4.40186135e-04 1.49579193e-04 -7.33690704e-05] [ 1.32977955e-04 -1.58368150e-04 -6.48716006e-05] [ 1.32977956e-04 1.58368150e-04 6.48716010e-05] [ 4.40186135e-04 -1.49579193e-04 7.33690701e-05] [-1.32977956e-04 1.58368150e-04 6.48716011e-05] [-4.40186136e-04 -1.49579193e-04 7.33690699e-05] [-1.32977955e-04 -1.58368150e-04 -6.48716009e-05] [-4.40186135e-04 1.49579193e-04 -7.33690703e-05] [ 4.40186136e-04 1.49579193e-04 -7.33690700e-05] [ 1.32977956e-04 -1.58368150e-04 -6.48716009e-05] [ 1.32977955e-04 1.58368150e-04 6.48716009e-05] [ 4.40186135e-04 -1.49579193e-04 7.33690702e-05] [-1.32977955e-04 1.58368151e-04 6.48716008e-05] [-4.40186135e-04 -1.49579193e-04 7.33690702e-05] [-1.32977955e-04 -1.58368150e-04 -6.48716008e-05] [-4.40186136e-04 1.49579193e-04 -7.33690699e-05] [-2.55434562e-13 -4.27935465e-13 6.80289158e-14] [ 5.65731923e-13 6.18178893e-13 1.11976981e-13] [-3.33066907e-15 4.20237753e-04 4.09394865e-04] [-1.86139298e-13 3.05904383e-04 -3.15971986e-04] [ 4.20559421e-13 -3.05904383e-04 3.15971986e-04] [-6.74980905e-14 -4.20237752e-04 -4.09394865e-04] [ 5.70672521e-05 3.45521639e-04 4.66757035e-05] [ 5.70672518e-05 -3.45521640e-04 -4.66757040e-05] [-5.70672523e-05 3.45521640e-04 4.66757031e-05] [-5.70672515e-05 -3.45521639e-04 -4.66757041e-05] [ 2.46608352e-04 2.46672996e-04 3.45455606e-04] [-2.46608352e-04 2.46672995e-04 3.45455606e-04] [ 2.46608353e-04 -2.46672995e-04 -3.45455606e-04] [-2.46608352e-04 -2.46672995e-04 -3.45455606e-04] [-1.49042237e-13 4.20237753e-04 4.09394865e-04] [ 1.76629544e-13 3.05904383e-04 -3.15971986e-04] [-5.64600450e-14 -3.05904382e-04 3.15971987e-04] [ 2.91845107e-13 -4.20237753e-04 -4.09394864e-04] [ 5.70672513e-05 3.45521639e-04 4.66757045e-05] [ 5.70672520e-05 -3.45521640e-04 -4.66757038e-05] [-5.70672517e-05 3.45521639e-04 4.66757042e-05] [-5.70672513e-05 -3.45521640e-04 -4.66757045e-05] [ 2.46608353e-04 2.46672995e-04 3.45455607e-04] [-2.46608352e-04 2.46672995e-04 3.45455606e-04] [ 2.46608353e-04 -2.46672995e-04 -3.45455606e-04] [-2.46608353e-04 -2.46672995e-04 -3.45455606e-04]] Final stress: [ 1.54196602e-05 1.54249763e-05 -1.30752308e-05 1.61802809e-05 -6.98236831e-17 2.32745610e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.63862573e-07 -2.33103467e-15 -6.60890613e-14] [-9.63862918e-07 -8.97892871e-14 -1.19876331e-13] [ 4.37215368e-14 1.80447146e-06 1.03186257e-04] [-1.37390099e-14 -1.80447129e-06 -1.03186257e-04] [-2.97596149e-14 1.03808413e-04 4.71589583e-04] [ 3.79141163e-14 -1.03808413e-04 -4.71589583e-04] [ 9.63862971e-07 5.65190256e-14 1.08457745e-13] [-9.63862582e-07 8.70310768e-14 6.88783039e-14] [ 1.56914412e-14 1.80447107e-06 1.03186257e-04] [-7.71158311e-14 -1.80447103e-06 -1.03186257e-04] [-2.15973073e-15 1.03808413e-04 4.71589583e-04] [ 7.20677858e-14 -1.03808413e-04 -4.71589583e-04] [-1.32977948e-04 1.58368148e-04 -6.48716027e-05] [-4.40186129e-04 -1.49579196e-04 -7.33690669e-05] [-4.40186129e-04 1.49579196e-04 7.33690670e-05] [-1.32977949e-04 -1.58368148e-04 6.48716025e-05] [ 4.40186129e-04 1.49579196e-04 7.33690667e-05] [ 1.32977949e-04 -1.58368148e-04 6.48716025e-05] [ 4.40186129e-04 -1.49579196e-04 -7.33690668e-05] [ 1.32977949e-04 1.58368148e-04 -6.48716028e-05] [-1.32977949e-04 1.58368148e-04 -6.48716027e-05] [-4.40186129e-04 -1.49579196e-04 -7.33690668e-05] [-4.40186129e-04 1.49579196e-04 7.33690667e-05] [-1.32977949e-04 -1.58368148e-04 6.48716028e-05] [ 4.40186129e-04 1.49579196e-04 7.33690668e-05] [ 1.32977949e-04 -1.58368148e-04 6.48716027e-05] [ 4.40186129e-04 -1.49579196e-04 -7.33690669e-05] [ 1.32977949e-04 1.58368148e-04 -6.48716026e-05] [ 2.67591505e-13 -3.80223630e-13 1.28702604e-13] [-2.37373055e-13 9.08547342e-14 -9.47206107e-14] [-4.48974191e-13 -3.05904374e-04 -3.15971994e-04] [-4.78398571e-13 -4.20237764e-04 4.09394857e-04] [-2.34116546e-13 4.20237762e-04 -4.09394858e-04] [-4.71692130e-13 3.05904374e-04 3.15971995e-04] [ 5.70672626e-05 -3.45521638e-04 4.66756951e-05] [ 5.70672628e-05 3.45521638e-04 -4.66756948e-05] [-5.70672628e-05 -3.45521638e-04 4.66756947e-05] [-5.70672628e-05 3.45521638e-04 -4.66756947e-05] [ 2.46608353e-04 2.46672998e-04 -3.45455604e-04] [-2.46608354e-04 2.46672997e-04 -3.45455604e-04] [ 2.46608353e-04 -2.46672998e-04 3.45455604e-04] [-2.46608354e-04 -2.46672997e-04 3.45455604e-04] [ 2.77074370e-13 -3.05904372e-04 -3.15971996e-04] [ 5.31397842e-13 -4.20237765e-04 4.09394856e-04] [ 3.18470510e-13 4.20237764e-04 -4.09394856e-04] [ 4.60638472e-13 3.05904373e-04 3.15971996e-04] [ 5.70672615e-05 -3.45521638e-04 4.66756957e-05] [ 5.70672620e-05 3.45521638e-04 -4.66756952e-05] [-5.70672605e-05 -3.45521638e-04 4.66756968e-05] [-5.70672605e-05 3.45521638e-04 -4.66756970e-05] [ 2.46608355e-04 2.46672996e-04 -3.45455604e-04] [-2.46608354e-04 2.46672997e-04 -3.45455604e-04] [ 2.46608355e-04 -2.46672996e-04 3.45455604e-04] [-2.46608355e-04 -2.46672996e-04 3.45455604e-04]] Final stress: [ 1.54196601e-05 1.54249763e-05 -1.30752308e-05 -1.61802808e-05 3.32493729e-17 1.46297241e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 8.66536698e-04 1.97523421e-13 4.44091812e-13] [-8.66536697e-04 -6.98607838e-14 2.94791969e-13] [ 6.03097867e-13 8.70379131e-04 -2.48285350e-05] [ 7.98583422e-13 -8.70379133e-04 2.48285357e-05] [-4.10973339e-14 -2.57961955e-05 -8.46933549e-04] [ 2.17686980e-13 2.57961948e-05 8.46933548e-04] [ 8.66536697e-04 -7.50484744e-14 -3.85350885e-13] [-8.66536698e-04 1.98085472e-13 -3.75887991e-13] [ 2.39981646e-14 8.70379133e-04 -2.48285345e-05] [-2.74965814e-13 -8.70379133e-04 2.48285340e-05] [ 1.75360594e-13 -2.57961959e-05 -8.46933549e-04] [-4.06072745e-14 2.57961960e-05 8.46933549e-04] [ 1.94075090e-04 -8.30856100e-04 -4.24502248e-04] [ 1.10045546e-03 7.13877452e-05 3.38524681e-04] [ 1.10045546e-03 -7.13877453e-05 -3.38524681e-04] [ 1.94075089e-04 8.30856101e-04 4.24502248e-04] [-1.10045546e-03 -7.13877458e-05 -3.38524681e-04] [-1.94075090e-04 8.30856100e-04 4.24502248e-04] [-1.10045546e-03 7.13877446e-05 3.38524682e-04] [-1.94075090e-04 -8.30856100e-04 -4.24502248e-04] [ 1.94075090e-04 -8.30856100e-04 -4.24502249e-04] [ 1.10045546e-03 7.13877460e-05 3.38524682e-04] [ 1.10045546e-03 -7.13877457e-05 -3.38524682e-04] [ 1.94075090e-04 8.30856100e-04 4.24502248e-04] [-1.10045546e-03 -7.13877457e-05 -3.38524682e-04] [-1.94075090e-04 8.30856100e-04 4.24502247e-04] [-1.10045546e-03 7.13877462e-05 3.38524683e-04] [-1.94075090e-04 -8.30856101e-04 -4.24502249e-04] [ 9.40331146e-13 1.60527147e-12 1.00242037e-12] [-1.58200709e-13 3.37395554e-13 -7.48299295e-13] [ 1.72872827e-12 -3.52112784e-04 8.74347047e-04] [ 1.63955828e-12 1.47505641e-03 -2.54665354e-04] [ 1.04715542e-12 -1.47505641e-03 2.54665353e-04] [ 1.05916664e-12 3.52112781e-04 -8.74347043e-04] [-9.14335024e-04 1.84034920e-03 3.09816398e-04] [-9.14335022e-04 -1.84034920e-03 -3.09816396e-04] [ 9.14335022e-04 1.84034920e-03 3.09816395e-04] [ 9.14335023e-04 -1.84034920e-03 -3.09816396e-04] [-6.92810072e-04 -6.92087646e-04 1.83744173e-03] [ 6.92810075e-04 -6.92087643e-04 1.83744173e-03] [-6.92810069e-04 6.92087648e-04 -1.83744173e-03] [ 6.92810072e-04 6.92087645e-04 -1.83744173e-03] [-6.62670439e-13 -3.52112782e-04 8.74347045e-04] [-5.65957003e-13 1.47505641e-03 -2.54665356e-04] [-1.50093479e-13 -1.47505641e-03 2.54665352e-04] [ 4.93082138e-14 3.52112781e-04 -8.74347043e-04] [-9.14335024e-04 1.84034920e-03 3.09816398e-04] [-9.14335026e-04 -1.84034920e-03 -3.09816401e-04] [ 9.14335020e-04 1.84034920e-03 3.09816395e-04] [ 9.14335022e-04 -1.84034920e-03 -3.09816397e-04] [-6.92810072e-04 -6.92087646e-04 1.83744173e-03] [ 6.92810073e-04 -6.92087646e-04 1.83744173e-03] [-6.92810070e-04 6.92087648e-04 -1.83744173e-03] [ 6.92810071e-04 6.92087648e-04 -1.83744173e-03]] Final stress: [-1.59069773e-05 -1.58824223e-05 4.03944353e-05 1.75787034e-05 2.47726285e-16 -3.32518503e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.73198116e-04 -3.00675283e-14 9.47666425e-14] [-1.73198117e-04 1.72084569e-15 9.37860900e-14] [-6.96829747e-14 1.74227759e-04 6.43046698e-05] [-7.44126982e-14 -1.74227758e-04 -6.43046694e-05] [-4.07013832e-14 6.38488465e-05 -4.05218030e-04] [-2.50077736e-14 -6.38488465e-05 4.05218030e-04] [ 1.73198116e-04 6.77968966e-14 -3.62064886e-14] [-1.73198116e-04 3.65983285e-14 1.84863883e-14] [ 7.34347479e-14 1.74227758e-04 6.43046697e-05] [ 4.06476068e-14 -1.74227759e-04 -6.43046699e-05] [-6.68974424e-14 6.38488464e-05 -4.05218030e-04] [-5.84918398e-14 -6.38488464e-05 4.05218030e-04] [-4.29115903e-04 -9.34311647e-05 1.07249340e-04] [-9.23462079e-05 2.42371674e-04 -4.19854379e-05] [-9.23462078e-05 -2.42371674e-04 4.19854383e-05] [-4.29115903e-04 9.34311644e-05 -1.07249340e-04] [ 9.23462079e-05 -2.42371674e-04 4.19854382e-05] [ 4.29115903e-04 9.34311646e-05 -1.07249340e-04] [ 9.23462080e-05 2.42371674e-04 -4.19854380e-05] [ 4.29115903e-04 -9.34311648e-05 1.07249340e-04] [-4.29115903e-04 -9.34311646e-05 1.07249339e-04] [-9.23462079e-05 2.42371674e-04 -4.19854382e-05] [-9.23462080e-05 -2.42371674e-04 4.19854379e-05] [-4.29115903e-04 9.34311647e-05 -1.07249340e-04] [ 9.23462082e-05 -2.42371674e-04 4.19854380e-05] [ 4.29115903e-04 9.34311646e-05 -1.07249340e-04] [ 9.23462079e-05 2.42371674e-04 -4.19854382e-05] [ 4.29115903e-04 -9.34311646e-05 1.07249339e-04] [ 2.20878871e-13 -8.14626144e-14 2.85854673e-13] [ 5.02011627e-14 5.09117208e-13 5.93382487e-14] [ 4.11670698e-13 -4.93943186e-04 -2.37636459e-04] [ 1.81590853e-13 -7.46758361e-05 3.32600351e-04] [-2.52659005e-13 7.46758355e-05 -3.32600351e-04] [-8.51593102e-14 4.93943186e-04 2.37636459e-04] [-2.09704677e-04 -5.22020202e-04 4.74747725e-05] [-2.09704677e-04 5.22020202e-04 -4.74747724e-05] [ 2.09704676e-04 -5.22020202e-04 4.74747720e-05] [ 2.09704677e-04 5.22020202e-04 -4.74747724e-05] [-2.66048079e-04 -2.65983431e-04 -5.22263149e-04] [ 2.66048080e-04 -2.65983431e-04 -5.22263149e-04] [-2.66048079e-04 2.65983432e-04 5.22263148e-04] [ 2.66048079e-04 2.65983432e-04 5.22263149e-04] [ 5.19350188e-14 -4.93943186e-04 -2.37636459e-04] [-5.23288010e-14 -7.46758357e-05 3.32600350e-04] [ 3.31853035e-13 7.46758357e-05 -3.32600351e-04] [ 2.73743268e-13 4.93943185e-04 2.37636460e-04] [-2.09704677e-04 -5.22020202e-04 4.74747728e-05] [-2.09704677e-04 5.22020202e-04 -4.74747729e-05] [ 2.09704678e-04 -5.22020202e-04 4.74747728e-05] [ 2.09704676e-04 5.22020202e-04 -4.74747719e-05] [-2.66048079e-04 -2.65983432e-04 -5.22263148e-04] [ 2.66048079e-04 -2.65983432e-04 -5.22263148e-04] [-2.66048079e-04 2.65983432e-04 5.22263149e-04] [ 2.66048079e-04 2.65983432e-04 5.22263148e-04]] Final stress: [-1.49816490e-05 -1.49775718e-05 1.30550459e-05 -1.67344721e-05 -1.04743328e-16 -1.33007401e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.80446981e-06 3.02323271e-14 -1.03186261e-04] [-1.80447061e-06 4.20496971e-14 1.03186261e-04] [ 2.42501332e-14 9.63861954e-07 3.11079287e-14] [ 3.13638004e-14 -9.63861837e-07 -6.66133815e-15] [-1.03808417e-04 7.13591512e-14 4.71589581e-04] [ 1.03808417e-04 7.50510765e-14 -4.71589582e-04] [ 1.80447066e-06 1.83750584e-14 -1.03186261e-04] [-1.80447013e-06 -7.04080891e-15 1.03186261e-04] [-5.24272466e-14 9.63861330e-07 -6.76812808e-14] [-2.48807051e-14 -9.63861835e-07 -1.12315798e-13] [-1.03808417e-04 -8.12072781e-14 4.71589582e-04] [ 1.03808417e-04 -3.35923000e-14 -4.71589581e-04] [ 1.49579197e-04 4.40186126e-04 -7.33690654e-05] [-1.58368147e-04 1.32977946e-04 -6.48716031e-05] [-1.49579197e-04 4.40186126e-04 7.33690657e-05] [ 1.58368147e-04 1.32977946e-04 6.48716030e-05] [ 1.58368147e-04 -1.32977946e-04 6.48716031e-05] [-1.49579197e-04 -4.40186126e-04 7.33690656e-05] [ 1.49579197e-04 -4.40186126e-04 -7.33690652e-05] [-1.58368147e-04 -1.32977946e-04 -6.48716033e-05] [ 1.49579196e-04 4.40186126e-04 -7.33690655e-05] [-1.58368147e-04 1.32977946e-04 -6.48716030e-05] [-1.49579197e-04 4.40186126e-04 7.33690654e-05] [ 1.58368147e-04 1.32977946e-04 6.48716033e-05] [ 1.58368147e-04 -1.32977946e-04 6.48716033e-05] [-1.49579197e-04 -4.40186126e-04 7.33690655e-05] [ 1.49579196e-04 -4.40186126e-04 -7.33690655e-05] [-1.58368147e-04 -1.32977946e-04 -6.48716030e-05] [ 7.87342413e-13 1.33698608e-13 2.05169215e-13] [-4.89738458e-13 4.57943707e-13 -2.91117063e-13] [ 3.45521638e-04 5.70672666e-05 4.66756915e-05] [ 3.45521637e-04 -5.70672669e-05 4.66756911e-05] [-3.45521638e-04 5.70672667e-05 -4.66756914e-05] [-3.45521638e-04 -5.70672664e-05 -4.66756918e-05] [ 4.20237768e-04 -2.66231481e-13 4.09394853e-04] [-3.05904369e-04 4.70023326e-14 3.15971999e-04] [ 3.05904368e-04 -6.17006446e-14 -3.15972000e-04] [-4.20237768e-04 -4.76875484e-15 -4.09394853e-04] [ 2.46672998e-04 2.46608355e-04 3.45455604e-04] [-2.46672998e-04 2.46608354e-04 -3.45455604e-04] [ 2.46672998e-04 -2.46608355e-04 3.45455604e-04] [-2.46672998e-04 -2.46608354e-04 -3.45455604e-04] [ 3.45521638e-04 5.70672664e-05 4.66756919e-05] [ 3.45521638e-04 -5.70672664e-05 4.66756920e-05] [-3.45521637e-04 5.70672667e-05 -4.66756915e-05] [-3.45521637e-04 -5.70672663e-05 -4.66756921e-05] [ 4.20237769e-04 -2.53023211e-13 4.09394852e-04] [-3.05904368e-04 1.35427693e-14 3.15972000e-04] [ 3.05904369e-04 -2.38788590e-13 -3.15971999e-04] [-4.20237768e-04 -2.41126563e-15 -4.09394853e-04] [ 2.46672997e-04 2.46608355e-04 3.45455604e-04] [-2.46672998e-04 2.46608355e-04 -3.45455604e-04] [ 2.46672997e-04 -2.46608355e-04 3.45455604e-04] [-2.46672998e-04 -2.46608355e-04 -3.45455604e-04]] Final stress: [ 1.54249762e-05 1.54196601e-05 -1.30752308e-05 7.14861518e-17 1.61802808e-05 -2.99244356e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.80446845e-06 -2.17525650e-14 1.03186259e-04] [-1.80446894e-06 6.52533583e-14 -1.03186259e-04] [ 5.52132125e-14 9.63859960e-07 -4.90293570e-14] [-3.59989816e-14 -9.63860130e-07 2.82829316e-14] [ 1.03808415e-04 1.30934326e-13 4.71589582e-04] [-1.03808414e-04 4.14668300e-14 -4.71589583e-04] [ 1.80446823e-06 7.36433484e-15 1.03186258e-04] [-1.80446844e-06 -2.23774992e-14 -1.03186258e-04] [-2.72004641e-14 9.63860108e-07 3.43637933e-14] [ 3.61100039e-14 -9.63860034e-07 -7.65932547e-14] [ 1.03808415e-04 -9.90715672e-14 4.71589582e-04] [-1.03808415e-04 -2.98731892e-14 -4.71589582e-04] [ 1.58368149e-04 -1.32977947e-04 -6.48716019e-05] [-1.49579196e-04 -4.40186128e-04 -7.33690670e-05] [-1.58368149e-04 -1.32977947e-04 6.48716021e-05] [ 1.49579195e-04 -4.40186128e-04 7.33690667e-05] [ 1.49579196e-04 4.40186128e-04 7.33690668e-05] [-1.58368149e-04 1.32977947e-04 6.48716021e-05] [ 1.58368148e-04 1.32977947e-04 -6.48716019e-05] [-1.49579196e-04 4.40186128e-04 -7.33690668e-05] [ 1.58368148e-04 -1.32977947e-04 -6.48716019e-05] [-1.49579196e-04 -4.40186128e-04 -7.33690669e-05] [-1.58368148e-04 -1.32977947e-04 6.48716018e-05] [ 1.49579196e-04 -4.40186128e-04 7.33690670e-05] [ 1.49579196e-04 4.40186128e-04 7.33690669e-05] [-1.58368149e-04 1.32977947e-04 6.48716018e-05] [ 1.58368148e-04 1.32977947e-04 -6.48716018e-05] [-1.49579196e-04 4.40186128e-04 -7.33690672e-05] [ 6.48231469e-13 4.74509321e-13 3.51468854e-13] [ 7.96550326e-14 -1.57672534e-13 9.71788454e-14] [-3.45521639e-04 5.70672578e-05 4.66757015e-05] [-3.45521640e-04 -5.70672580e-05 4.66757010e-05] [ 3.45521640e-04 5.70672573e-05 -4.66757018e-05] [ 3.45521640e-04 -5.70672577e-05 -4.66757012e-05] [-3.05904378e-04 -3.21520588e-13 -3.15971987e-04] [ 4.20237757e-04 -1.05807724e-13 -4.09394864e-04] [-4.20237758e-04 -2.67053740e-13 4.09394862e-04] [ 3.05904378e-04 4.83259266e-14 3.15971987e-04] [ 2.46672998e-04 2.46608353e-04 -3.45455607e-04] [-2.46672998e-04 2.46608353e-04 3.45455607e-04] [ 2.46672997e-04 -2.46608354e-04 -3.45455607e-04] [-2.46672997e-04 -2.46608354e-04 3.45455606e-04] [-3.45521640e-04 5.70672560e-05 4.66757027e-05] [-3.45521640e-04 -5.70672557e-05 4.66757030e-05] [ 3.45521641e-04 5.70672568e-05 -4.66757020e-05] [ 3.45521640e-04 -5.70672560e-05 -4.66757027e-05] [-3.05904377e-04 1.95555894e-13 -3.15971989e-04] [ 4.20237758e-04 1.20084715e-13 -4.09394862e-04] [-4.20237759e-04 4.50591387e-13 4.09394862e-04] [ 3.05904376e-04 1.33180359e-13 3.15971989e-04] [ 2.46672996e-04 2.46608355e-04 -3.45455606e-04] [-2.46672995e-04 2.46608355e-04 3.45455606e-04] [ 2.46672996e-04 -2.46608355e-04 -3.45455606e-04] [-2.46672996e-04 -2.46608355e-04 3.45455606e-04]] Final stress: [ 1.54249763e-05 1.54196601e-05 -1.30752309e-05 5.65239340e-17 -1.61802808e-05 -8.14609636e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.62617886e-07 -7.91098957e-14 -1.03714433e-04] [ 5.62618031e-07 -1.26593180e-13 1.03714433e-04] [ 5.56846236e-14 -1.39711733e-06 3.86366286e-14] [ 2.08305595e-13 1.39711749e-06 2.16493490e-15] [-1.03118113e-04 2.27352859e-14 -4.70353428e-04] [ 1.03118114e-04 -5.25413046e-14 4.70353428e-04] [-5.62618370e-07 1.01915438e-13 -1.03714433e-04] [ 5.62617564e-07 1.27209007e-13 1.03714432e-04] [-3.56589758e-14 -1.39711742e-06 -5.27729267e-14] [-7.95010759e-14 1.39711747e-06 -3.36944465e-14] [-1.03118114e-04 1.16331351e-14 -4.70353428e-04] [ 1.03118113e-04 6.42681201e-14 4.70353428e-04] [-1.61941014e-04 1.27983028e-04 6.10433674e-05] [ 1.50379969e-04 4.41044824e-04 7.28958856e-05] [ 1.61941014e-04 1.27983028e-04 -6.10433675e-05] [-1.50379969e-04 4.41044824e-04 -7.28958852e-05] [-1.50379969e-04 -4.41044824e-04 -7.28958850e-05] [ 1.61941014e-04 -1.27983028e-04 -6.10433676e-05] [-1.61941014e-04 -1.27983028e-04 6.10433673e-05] [ 1.50379969e-04 -4.41044824e-04 7.28958851e-05] [-1.61941014e-04 1.27983028e-04 6.10433672e-05] [ 1.50379969e-04 4.41044824e-04 7.28958852e-05] [ 1.61941014e-04 1.27983028e-04 -6.10433676e-05] [-1.50379969e-04 4.41044824e-04 -7.28958852e-05] [-1.50379969e-04 -4.41044824e-04 -7.28958853e-05] [ 1.61941014e-04 -1.27983028e-04 -6.10433675e-05] [-1.61941014e-04 -1.27983028e-04 6.10433672e-05] [ 1.50379969e-04 -4.41044824e-04 7.28958853e-05] [ 3.82638365e-13 -2.60208521e-13 4.11642942e-13] [ 5.61072890e-13 1.59520935e-13 7.10788727e-14] [ 3.47419373e-04 -6.29957740e-05 -4.41814237e-05] [ 3.47419373e-04 6.29957743e-05 -4.41814231e-05] [-3.47419373e-04 -6.29957742e-05 4.41814235e-05] [-3.47419373e-04 6.29957744e-05 4.41814231e-05] [ 2.95862025e-04 1.54321000e-14 3.15025715e-04] [-4.21668735e-04 -5.60228947e-14 4.03330412e-04] [ 4.21668735e-04 -3.86555371e-13 -4.03330413e-04] [-2.95862025e-04 5.52335955e-15 -3.15025715e-04] [-2.48160803e-04 -2.48224829e-04 3.47498988e-04] [ 2.48160803e-04 -2.48224829e-04 -3.47498987e-04] [-2.48160803e-04 2.48224829e-04 3.47498988e-04] [ 2.48160803e-04 2.48224829e-04 -3.47498988e-04] [ 3.47419373e-04 -6.29957742e-05 -4.41814233e-05] [ 3.47419373e-04 6.29957746e-05 -4.41814232e-05] [-3.47419373e-04 -6.29957741e-05 4.41814233e-05] [-3.47419373e-04 6.29957746e-05 4.41814230e-05] [ 2.95862025e-04 7.03571075e-14 3.15025715e-04] [-4.21668735e-04 -7.86892253e-15 4.03330413e-04] [ 4.21668734e-04 -3.82094096e-13 -4.03330413e-04] [-2.95862025e-04 -1.45335566e-13 -3.15025715e-04] [-2.48160803e-04 -2.48224829e-04 3.47498987e-04] [ 2.48160804e-04 -2.48224829e-04 -3.47498987e-04] [-2.48160803e-04 2.48224829e-04 3.47498988e-04] [ 2.48160804e-04 2.48224828e-04 -3.47498987e-04]] Final stress: [-1.56411901e-05 -1.56461697e-05 1.27801706e-05 6.65037006e-18 1.62018375e-05 -9.14425883e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.63826493e-04 1.31586582e-13 6.66790662e-05] [-1.63826493e-04 2.99205105e-14 -6.66790659e-05] [-7.16878813e-14 1.62808487e-04 -1.34827045e-14] [ 1.20597976e-13 -1.62808487e-04 7.91866572e-14] [ 6.62147009e-05 8.37411737e-14 -4.09176099e-04] [-6.62147005e-05 1.42330592e-13 4.09176099e-04] [ 1.63826493e-04 -7.05260503e-14 6.66790659e-05] [-1.63826493e-04 -2.51179286e-14 -6.66790659e-05] [ 1.08722059e-13 1.62808487e-04 -6.28426996e-14] [-2.22365529e-14 -1.62808487e-04 -1.32929656e-13] [ 6.62147007e-05 -1.31362020e-13 -4.09176098e-04] [-6.62147011e-05 -3.50419319e-14 4.09176099e-04] [-9.68498800e-05 -4.29902564e-04 1.05210687e-04] [ 2.37614315e-04 -9.44847612e-05 -3.58481962e-05] [ 9.68498802e-05 -4.29902564e-04 -1.05210686e-04] [-2.37614315e-04 -9.44847613e-05 3.58481965e-05] [-2.37614315e-04 9.44847614e-05 3.58481966e-05] [ 9.68498803e-05 4.29902564e-04 -1.05210687e-04] [-9.68498802e-05 4.29902564e-04 1.05210687e-04] [ 2.37614315e-04 9.44847612e-05 -3.58481964e-05] [-9.68498803e-05 -4.29902564e-04 1.05210687e-04] [ 2.37614315e-04 -9.44847615e-05 -3.58481970e-05] [ 9.68498799e-05 -4.29902564e-04 -1.05210687e-04] [-2.37614315e-04 -9.44847615e-05 3.58481965e-05] [-2.37614315e-04 9.44847617e-05 3.58481964e-05] [ 9.68498801e-05 4.29902564e-04 -1.05210687e-04] [-9.68498803e-05 4.29902564e-04 1.05210687e-04] [ 2.37614315e-04 9.44847615e-05 -3.58481970e-05] [-1.29757316e-13 -1.71029857e-13 6.55586696e-13] [-4.51288312e-14 2.63655468e-13 -2.70625069e-13] [-5.11700594e-04 -2.01020107e-04 4.20363929e-05] [-5.11700594e-04 2.01020107e-04 4.20363933e-05] [ 5.11700595e-04 -2.01020108e-04 -4.20363936e-05] [ 5.11700594e-04 2.01020108e-04 -4.20363938e-05] [-4.89759037e-04 -5.92859095e-14 -2.47551155e-04] [ 8.78630480e-05 2.54371177e-13 -3.31641147e-04] [-8.78630485e-05 3.49692497e-13 3.31641146e-04] [ 4.89759038e-04 4.81810772e-13 2.47551155e-04] [-2.64971120e-04 -2.65035441e-04 -5.11933608e-04] [ 2.64971119e-04 -2.65035442e-04 5.11933608e-04] [-2.64971119e-04 2.65035442e-04 -5.11933608e-04] [ 2.64971119e-04 2.65035442e-04 5.11933608e-04] [-5.11700595e-04 -2.01020108e-04 4.20363937e-05] [-5.11700595e-04 2.01020107e-04 4.20363929e-05] [ 5.11700595e-04 -2.01020107e-04 -4.20363932e-05] [ 5.11700595e-04 2.01020107e-04 -4.20363929e-05] [-4.89759037e-04 1.76620122e-13 -2.47551155e-04] [ 8.78630480e-05 -2.67710333e-13 -3.31641147e-04] [-8.78630467e-05 -5.95858432e-13 3.31641147e-04] [ 4.89759037e-04 -5.90622169e-13 2.47551156e-04] [-2.64971119e-04 -2.65035442e-04 -5.11933607e-04] [ 2.64971119e-04 -2.65035442e-04 5.11933608e-04] [-2.64971119e-04 2.65035441e-04 -5.11933608e-04] [ 2.64971119e-04 2.65035441e-04 5.11933608e-04]] Final stress: [-1.50173986e-05 -1.50215176e-05 1.30418804e-05 -1.64596659e-16 -1.67024610e-05 1.66259251e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.96899602e-07 -5.62595932e-05 7.78726042e-14] [ 5.96899458e-07 5.62595929e-05 1.09884324e-13] [-5.62595930e-05 -5.96899813e-07 1.25563622e-14] [ 5.62595930e-05 5.96899963e-07 9.69224700e-14] [-5.08143874e-15 -4.23372275e-14 4.84205600e-04] [ 5.10425036e-14 -9.03166431e-14 -4.84205600e-04] [-5.96900099e-07 -5.62595929e-05 -1.40382047e-14] [ 5.96900034e-07 5.62595931e-05 -6.71651175e-14] [-5.62595930e-05 -5.96900061e-07 7.09313237e-15] [ 5.62595929e-05 5.96899563e-07 1.23085745e-14] [-8.56966408e-14 8.42286100e-14 4.84205601e-04] [-5.85113555e-14 1.23175664e-13 -4.84205600e-04] [ 1.35627537e-04 1.35627537e-04 2.44513156e-04] [-1.35627537e-04 -1.35627537e-04 2.44513156e-04] [-1.73664190e-04 1.73664190e-04 3.90570649e-04] [ 1.73664190e-04 -1.73664190e-04 3.90570649e-04] [ 1.35627536e-04 1.35627536e-04 -2.44513155e-04] [-1.35627536e-04 -1.35627537e-04 -2.44513156e-04] [ 1.73664190e-04 -1.73664190e-04 -3.90570649e-04] [-1.73664190e-04 1.73664190e-04 -3.90570649e-04] [ 1.35627537e-04 1.35627537e-04 2.44513155e-04] [-1.35627536e-04 -1.35627536e-04 2.44513155e-04] [-1.73664190e-04 1.73664190e-04 3.90570649e-04] [ 1.73664190e-04 -1.73664190e-04 3.90570649e-04] [ 1.35627537e-04 1.35627537e-04 -2.44513156e-04] [-1.35627537e-04 -1.35627537e-04 -2.44513155e-04] [ 1.73664190e-04 -1.73664190e-04 -3.90570650e-04] [-1.73664190e-04 1.73664190e-04 -3.90570649e-04] [ 1.24733557e-13 -3.56770169e-13 5.85032023e-13] [-1.25749237e-13 9.33847353e-13 -9.10293502e-13] [ 3.62163012e-04 -2.78169261e-05 1.28272182e-04] [-3.62163011e-04 2.78169263e-05 1.28272183e-04] [ 3.62163012e-04 -2.78169265e-05 -1.28272182e-04] [-3.62163012e-04 2.78169263e-05 -1.28272183e-04] [-2.78169259e-05 3.62163012e-04 1.28272182e-04] [-2.78169261e-05 3.62163012e-04 -1.28272182e-04] [ 2.78169258e-05 -3.62163011e-04 1.28272182e-04] [ 2.78169262e-05 -3.62163012e-04 -1.28272182e-04] [ 5.93923441e-04 5.93923440e-04 -1.13908882e-13] [ 1.20672083e-04 -1.20672083e-04 -1.73446327e-13] [-1.20672082e-04 1.20672083e-04 1.32357666e-13] [-5.93923441e-04 -5.93923440e-04 -2.98558053e-13] [ 3.62163012e-04 -2.78169264e-05 1.28272182e-04] [-3.62163012e-04 2.78169268e-05 1.28272182e-04] [ 3.62163012e-04 -2.78169264e-05 -1.28272182e-04] [-3.62163012e-04 2.78169262e-05 -1.28272182e-04] [-2.78169262e-05 3.62163012e-04 1.28272182e-04] [-2.78169260e-05 3.62163011e-04 -1.28272182e-04] [ 2.78169257e-05 -3.62163012e-04 1.28272182e-04] [ 2.78169260e-05 -3.62163012e-04 -1.28272182e-04] [ 5.93923441e-04 5.93923440e-04 2.43931527e-13] [ 1.20672082e-04 -1.20672083e-04 3.31277771e-14] [-1.20672082e-04 1.20672083e-04 1.95702480e-13] [-5.93923441e-04 -5.93923440e-04 2.42362554e-13]] Final stress: [ 1.57073186e-05 1.57073186e-05 -1.33284984e-05 -4.65491221e-17 -7.97984950e-17 1.67021971e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.43073052e-07 5.98823761e-05 9.01665895e-15] [ 3.43072544e-07 -5.98823760e-05 -7.94919686e-14] [ 5.98823761e-05 -3.43072655e-07 -7.65975824e-14] [-5.98823761e-05 3.43072829e-07 -7.61890551e-14] [ 1.79662708e-13 -2.44301107e-14 4.83189634e-04] [ 8.81794637e-14 9.26203558e-14 -4.83189635e-04] [-3.43073036e-07 5.98823760e-05 -1.93986241e-14] [ 3.43072945e-07 -5.98823761e-05 -1.73966250e-14] [ 5.98823760e-05 -3.43072792e-07 8.97237958e-14] [-5.98823759e-05 3.43072997e-07 6.66142527e-14] [-1.18424368e-13 -2.34373946e-14 4.83189634e-04] [-8.71880693e-14 -9.18678796e-15 -4.83189634e-04] [ 1.72464948e-04 1.72464948e-04 -3.88004135e-04] [-1.72464948e-04 -1.72464948e-04 -3.88004135e-04] [-1.36711970e-04 1.36711970e-04 -2.42469673e-04] [ 1.36711970e-04 -1.36711970e-04 -2.42469673e-04] [ 1.72464948e-04 1.72464948e-04 3.88004135e-04] [-1.72464948e-04 -1.72464948e-04 3.88004135e-04] [ 1.36711970e-04 -1.36711970e-04 2.42469673e-04] [-1.36711970e-04 1.36711970e-04 2.42469673e-04] [ 1.72464948e-04 1.72464948e-04 -3.88004135e-04] [-1.72464948e-04 -1.72464948e-04 -3.88004135e-04] [-1.36711970e-04 1.36711970e-04 -2.42469673e-04] [ 1.36711970e-04 -1.36711970e-04 -2.42469673e-04] [ 1.72464948e-04 1.72464948e-04 3.88004135e-04] [-1.72464948e-04 -1.72464948e-04 3.88004135e-04] [ 1.36711970e-04 -1.36711970e-04 2.42469673e-04] [-1.36711970e-04 1.36711970e-04 2.42469673e-04] [ 8.41410275e-13 1.90403249e-14 1.11494147e-13] [ 1.14648308e-13 -2.56244355e-13 -1.38773085e-13] [-3.60813499e-04 -2.11627638e-05 1.21826652e-04] [ 3.60813499e-04 2.11627642e-05 1.21826652e-04] [-3.60813499e-04 -2.11627641e-05 -1.21826652e-04] [ 3.60813499e-04 2.11627643e-05 -1.21826652e-04] [-2.11627644e-05 -3.60813499e-04 1.21826652e-04] [-2.11627647e-05 -3.60813499e-04 -1.21826653e-04] [ 2.11627641e-05 3.60813499e-04 1.21826652e-04] [ 2.11627646e-05 3.60813499e-04 -1.21826653e-04] [-1.20316357e-04 -1.20316358e-04 8.08242362e-14] [-5.95111769e-04 5.95111768e-04 -3.55155141e-13] [ 5.95111769e-04 -5.95111769e-04 -2.49571197e-13] [ 1.20316358e-04 1.20316358e-04 -2.75279799e-13] [-3.60813499e-04 -2.11627646e-05 1.21826652e-04] [ 3.60813499e-04 2.11627649e-05 1.21826653e-04] [-3.60813499e-04 -2.11627639e-05 -1.21826652e-04] [ 3.60813500e-04 2.11627644e-05 -1.21826652e-04] [-2.11627643e-05 -3.60813499e-04 1.21826652e-04] [-2.11627638e-05 -3.60813499e-04 -1.21826652e-04] [ 2.11627643e-05 3.60813499e-04 1.21826652e-04] [ 2.11627642e-05 3.60813499e-04 -1.21826652e-04] [-1.20316358e-04 -1.20316358e-04 1.24558131e-13] [-5.95111769e-04 5.95111769e-04 9.35082361e-15] [ 5.95111769e-04 -5.95111769e-04 1.04649088e-13] [ 1.20316358e-04 1.20316357e-04 7.29056572e-14]] Final stress: [ 1.56857368e-05 1.56857368e-05 -1.33086637e-05 -1.01410587e-16 1.74559208e-16 -1.66632507e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.45996830e-05 1.34339032e-04 1.55333212e-13] [-5.45996830e-05 -1.34339032e-04 -1.24900090e-15] [ 1.34339032e-04 5.45996832e-05 1.52351656e-13] [-1.34339032e-04 -5.45996831e-05 3.29181127e-14] [ 1.27798813e-13 4.26195537e-14 -4.75993363e-04] [ 7.41073869e-14 2.07334150e-13 4.75993362e-04] [ 5.45996834e-05 1.34339032e-04 -6.11861790e-14] [-5.45996824e-05 -1.34339032e-04 -3.80249665e-14] [ 1.34339032e-04 5.45996836e-05 -1.12671676e-13] [-1.34339032e-04 -5.45996824e-05 3.74452135e-15] [-9.84290774e-14 -1.53766989e-14 -4.75993362e-04] [-8.44194506e-14 -7.69270189e-14 4.75993362e-04] [-2.55749157e-04 -2.55749157e-04 4.71068881e-04] [ 2.55749158e-04 2.55749158e-04 4.71068881e-04] [ 6.01002006e-05 -6.01002007e-05 3.46468349e-04] [-6.01002010e-05 6.01002008e-05 3.46468350e-04] [-2.55749157e-04 -2.55749157e-04 -4.71068881e-04] [ 2.55749157e-04 2.55749158e-04 -4.71068881e-04] [-6.01002007e-05 6.01002007e-05 -3.46468349e-04] [ 6.01002007e-05 -6.01002006e-05 -3.46468349e-04] [-2.55749158e-04 -2.55749157e-04 4.71068881e-04] [ 2.55749157e-04 2.55749157e-04 4.71068881e-04] [ 6.01002006e-05 -6.01002005e-05 3.46468349e-04] [-6.01002006e-05 6.01002008e-05 3.46468349e-04] [-2.55749157e-04 -2.55749157e-04 -4.71068881e-04] [ 2.55749157e-04 2.55749157e-04 -4.71068881e-04] [-6.01002007e-05 6.01002008e-05 -3.46468350e-04] [ 6.01002008e-05 -6.01002010e-05 -3.46468350e-04] [ 2.82301960e-13 1.90292226e-13 7.96335220e-13] [-8.61625441e-13 -1.52360191e-12 -2.79328719e-13] [ 4.72683609e-04 -5.56149143e-05 -3.35913983e-05] [-4.72683609e-04 5.56149146e-05 -3.35913978e-05] [ 4.72683609e-04 -5.56149142e-05 3.35913985e-05] [-4.72683609e-04 5.56149153e-05 3.35913972e-05] [-5.56149154e-05 4.72683609e-04 -3.35913967e-05] [-5.56149163e-05 4.72683608e-04 3.35913965e-05] [ 5.56149146e-05 -4.72683609e-04 -3.35913979e-05] [ 5.56149160e-05 -4.72683609e-04 3.35913969e-05] [ 7.94914337e-05 7.94914332e-05 -1.53654867e-13] [ 5.31955502e-04 -5.31955502e-04 -3.40628567e-13] [-5.31955502e-04 5.31955502e-04 7.07385539e-14] [-7.94914335e-05 -7.94914333e-05 -4.63223210e-14] [ 4.72683609e-04 -5.56149157e-05 -3.35913971e-05] [-4.72683609e-04 5.56149162e-05 -3.35913965e-05] [ 4.72683609e-04 -5.56149149e-05 3.35913979e-05] [-4.72683609e-04 5.56149150e-05 3.35913972e-05] [-5.56149150e-05 4.72683609e-04 -3.35913977e-05] [-5.56149146e-05 4.72683609e-04 3.35913979e-05] [ 5.56149149e-05 -4.72683610e-04 -3.35913978e-05] [ 5.56149149e-05 -4.72683609e-04 3.35913980e-05] [ 7.94914336e-05 7.94914332e-05 5.28856472e-13] [ 5.31955503e-04 -5.31955501e-04 3.27914077e-13] [-5.31955502e-04 5.31955502e-04 8.37516600e-14] [-7.94914327e-05 -7.94914350e-05 -8.57820759e-14]] Final stress: [-1.60574712e-05 -1.60574712e-05 1.25979677e-05 8.14670332e-17 4.65525904e-17 1.87430938e-05] Minimization converged after 34 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.42367834e-02 -3.45439389e-13 5.24359202e-13] [ 1.42367834e-02 4.35734782e-13 1.27373112e-12] [ 6.70539145e-13 -1.92426027e-03 8.93030441e-13] [ 1.55284119e-12 1.92426027e-03 -1.91568983e-13] [ 9.15671185e-13 6.05136601e-13 -1.92426027e-03] [ 9.28646049e-13 -1.00086606e-13 1.92426026e-03] [-1.42367834e-02 -1.04024081e-12 -2.06560876e-13] [ 1.42367834e-02 1.45156023e-13 3.82059098e-13] [-6.78052232e-13 -1.92426026e-03 -1.10716732e-12] [ 2.64570050e-13 1.92426026e-03 -2.96135721e-13] [ 3.85574385e-13 -1.03513866e-12 -1.92426027e-03] [-9.22993453e-13 -9.62605894e-13 1.92426027e-03] [ 3.16147321e-03 -7.45251865e-03 -7.45251865e-03] [-3.16147321e-03 7.45251865e-03 -7.45251865e-03] [-3.16147321e-03 -7.45251865e-03 7.45251865e-03] [ 3.16147321e-03 7.45251865e-03 7.45251865e-03] [ 3.16147320e-03 -7.45251866e-03 7.45251865e-03] [-3.16147321e-03 7.45251865e-03 7.45251865e-03] [ 3.16147321e-03 7.45251865e-03 -7.45251865e-03] [-3.16147321e-03 -7.45251865e-03 -7.45251865e-03] [ 3.16147321e-03 -7.45251865e-03 -7.45251865e-03] [-3.16147320e-03 7.45251865e-03 -7.45251865e-03] [-3.16147320e-03 -7.45251865e-03 7.45251865e-03] [ 3.16147321e-03 7.45251865e-03 7.45251865e-03] [ 3.16147321e-03 -7.45251865e-03 7.45251865e-03] [-3.16147321e-03 7.45251865e-03 7.45251865e-03] [ 3.16147321e-03 7.45251865e-03 -7.45251865e-03] [-3.16147321e-03 -7.45251865e-03 -7.45251865e-03] [ 9.90207916e-13 5.69905234e-13 -8.08353384e-13] [-2.83640602e-12 7.32864145e-13 -1.40547321e-12] [ 7.54174501e-13 -1.62917794e-02 -1.62917794e-02] [ 1.39692424e-12 1.62917794e-02 -1.62917794e-02] [ 9.41456982e-13 -1.62917794e-02 1.62917794e-02] [ 3.54872381e-14 1.62917794e-02 1.62917794e-02] [-4.30819473e-03 -4.06341627e-14 -3.65857968e-03] [-4.30819473e-03 -5.17448931e-13 3.65857968e-03] [ 4.30819473e-03 -2.47066256e-13 -3.65857968e-03] [ 4.30819473e-03 -3.86203222e-13 3.65857968e-03] [-4.30819472e-03 -3.65857968e-03 -1.89481764e-12] [ 4.30819472e-03 -3.65857968e-03 3.19553412e-13] [-4.30819472e-03 3.65857968e-03 -1.97035097e-12] [ 4.30819472e-03 3.65857968e-03 1.09202751e-12] [ 1.50805280e-12 -1.62917794e-02 -1.62917794e-02] [ 1.84004504e-12 1.62917794e-02 -1.62917794e-02] [ 1.06300125e-12 -1.62917794e-02 1.62917794e-02] [-1.16590331e-13 1.62917794e-02 1.62917794e-02] [-4.30819472e-03 -2.37278224e-13 -3.65857968e-03] [-4.30819472e-03 2.01857194e-13 3.65857969e-03] [ 4.30819472e-03 -2.29228095e-13 -3.65857968e-03] [ 4.30819472e-03 -1.21369494e-13 3.65857968e-03] [-4.30819473e-03 -3.65857968e-03 1.66637803e-12] [ 4.30819473e-03 -3.65857968e-03 3.85380320e-13] [-4.30819473e-03 3.65857968e-03 9.83962342e-13] [ 4.30819473e-03 3.65857968e-03 2.12432372e-12]] Final stress: [ 7.34419246e-04 -1.82693760e-05 -1.82693760e-05 -4.43916335e-16 -1.32509857e-15 -4.27123994e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.55320176e-04 -1.63691109e-13 1.82184129e-13] [-4.55320177e-04 -1.10828013e-13 8.50708393e-14] [ 2.57232170e-13 4.55320176e-04 3.39218237e-13] [ 1.50685020e-13 -4.55320176e-04 5.74540415e-14] [ 2.72056683e-14 -2.00629444e-13 -1.68038488e-04] [ 8.43214387e-14 -1.40443213e-13 1.68038487e-04] [ 4.55320176e-04 4.44773558e-13 -1.16924075e-13] [-4.55320177e-04 -5.32980778e-14 -5.76532124e-14] [-2.70199228e-13 4.55320177e-04 -1.09919081e-13] [-1.12425260e-13 -4.55320176e-04 -1.67298244e-13] [-2.31519665e-13 1.65659259e-13 -1.68038487e-04] [-3.12816179e-13 1.39560611e-13 1.68038487e-04] [ 6.45057816e-05 6.45057820e-05 2.87099749e-04] [-6.45057815e-05 -6.45057820e-05 2.87099750e-04] [-6.45057813e-05 6.45057815e-05 -2.87099749e-04] [ 6.45057815e-05 -6.45057818e-05 -2.87099749e-04] [ 6.45057813e-05 6.45057816e-05 -2.87099749e-04] [-6.45057812e-05 -6.45057820e-05 -2.87099749e-04] [ 6.45057820e-05 -6.45057821e-05 2.87099749e-04] [-6.45057815e-05 6.45057819e-05 2.87099749e-04] [ 6.45057815e-05 6.45057821e-05 2.87099749e-04] [-6.45057816e-05 -6.45057812e-05 2.87099749e-04] [-6.45057821e-05 6.45057825e-05 -2.87099750e-04] [ 6.45057815e-05 -6.45057815e-05 -2.87099749e-04] [ 6.45057821e-05 6.45057823e-05 -2.87099750e-04] [-6.45057821e-05 -6.45057816e-05 -2.87099750e-04] [ 6.45057811e-05 -6.45057813e-05 2.87099749e-04] [-6.45057818e-05 6.45057821e-05 2.87099749e-04] [ 9.44577749e-13 -1.50254809e-12 1.40173984e-12] [ 5.32422630e-13 7.52089495e-14 -4.74555441e-13] [ 1.19126931e-13 9.87991058e-05 7.37801305e-05] [ 1.09467990e-12 -9.87991064e-05 7.37801309e-05] [-2.84916188e-13 9.87991042e-05 -7.37801316e-05] [ 1.34982303e-12 -9.87991034e-05 -7.37801332e-05] [ 9.87991036e-05 2.43138842e-14 7.37801338e-05] [ 9.87991010e-05 2.70651557e-13 -7.37801354e-05] [-9.87991048e-05 -8.85732460e-13 7.37801318e-05] [-9.87991020e-05 -4.57254026e-13 -7.37801339e-05] [-5.13765855e-05 -5.13765899e-05 -6.57807142e-13] [ 5.13765867e-05 -5.13765889e-05 -3.86475574e-13] [-5.13765852e-05 5.13765895e-05 -4.07923695e-13] [ 5.13765862e-05 5.13765889e-05 -6.14555282e-13] [ 6.53931336e-13 9.87991012e-05 7.37801348e-05] [ 1.15868252e-13 -9.87991016e-05 7.37801346e-05] [ 6.66152897e-13 9.87991036e-05 -7.37801330e-05] [ 4.84042494e-13 -9.87991033e-05 -7.37801333e-05] [ 9.87991039e-05 -7.08910894e-13 7.37801329e-05] [ 9.87991058e-05 -1.05747008e-13 -7.37801314e-05] [-9.87991056e-05 -3.87182474e-13 7.37801312e-05] [-9.87991073e-05 6.15614764e-13 -7.37801300e-05] [-5.13765885e-05 -5.13765863e-05 1.14578376e-12] [ 5.13765879e-05 -5.13765867e-05 1.55920353e-12] [-5.13765877e-05 5.13765873e-05 1.36903346e-12] [ 5.13765892e-05 5.13765854e-05 6.09181542e-13]] Final stress: [5.99342422e-07 5.99342424e-07 2.69031656e-05 1.96169473e-16 2.16118911e-16 3.37477992e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.61828903e-04 -4.58270574e-15 2.81761593e-13] [ 4.61828902e-04 1.25843780e-13 1.14241949e-13] [ 6.87028559e-14 -4.61828903e-04 7.67328909e-14] [ 8.12128143e-14 4.61828903e-04 1.09273701e-13] [-9.46057468e-14 -7.29793830e-14 1.33563035e-04] [-7.32747196e-14 -4.18831636e-14 -1.33563035e-04] [-4.61828903e-04 1.60130156e-13 -1.25873648e-13] [ 4.61828903e-04 -1.30510620e-13 2.56238132e-14] [-7.34399520e-14 -4.61828903e-04 1.11135465e-13] [ 1.71617928e-13 4.61828903e-04 -1.16073875e-13] [-5.23691333e-14 5.19438610e-14 1.33563034e-04] [-3.00709978e-14 2.24954757e-13 -1.33563036e-04] [-5.95454909e-05 -5.95454908e-05 -2.85115931e-04] [ 5.95454909e-05 5.95454905e-05 -2.85115931e-04] [ 5.95454906e-05 -5.95454908e-05 2.85115931e-04] [-5.95454909e-05 5.95454908e-05 2.85115931e-04] [-5.95454908e-05 -5.95454905e-05 2.85115931e-04] [ 5.95454906e-05 5.95454906e-05 2.85115931e-04] [-5.95454909e-05 5.95454908e-05 -2.85115931e-04] [ 5.95454908e-05 -5.95454909e-05 -2.85115931e-04] [-5.95454909e-05 -5.95454910e-05 -2.85115932e-04] [ 5.95454907e-05 5.95454911e-05 -2.85115931e-04] [ 5.95454905e-05 -5.95454902e-05 2.85115931e-04] [-5.95454907e-05 5.95454908e-05 2.85115931e-04] [-5.95454907e-05 -5.95454904e-05 2.85115931e-04] [ 5.95454907e-05 5.95454908e-05 2.85115931e-04] [-5.95454910e-05 5.95454910e-05 -2.85115931e-04] [ 5.95454909e-05 -5.95454908e-05 -2.85115931e-04] [ 5.01348962e-13 1.02501341e-13 1.45997103e-12] [ 2.05513991e-13 -2.04715305e-13 1.09157748e-12] [ 4.52970994e-14 -1.32114693e-04 -6.29213308e-05] [ 4.77673456e-13 1.32114694e-04 -6.29213298e-05] [-3.51108032e-14 -1.32114695e-04 6.29213300e-05] [ 1.55413876e-13 1.32114696e-04 6.29213285e-05] [-1.32114697e-04 2.88213897e-13 -6.29213275e-05] [-1.32114697e-04 3.34923062e-13 6.29213275e-05] [ 1.32114696e-04 -2.25566094e-13 -6.29213289e-05] [ 1.32114697e-04 7.80885773e-14 6.29213278e-05] [ 5.47109086e-05 5.47109062e-05 -1.44328993e-13] [-5.47109080e-05 5.47109067e-05 -2.67095374e-14] [ 5.47109096e-05 -5.47109057e-05 2.49123638e-14] [-5.47109089e-05 -5.47109065e-05 1.25659899e-13] [-6.36990460e-14 -1.32114697e-04 -6.29213275e-05] [-1.98472315e-13 1.32114697e-04 -6.29213279e-05] [ 5.26786514e-13 -1.32114697e-04 6.29213279e-05] [ 5.08512069e-13 1.32114696e-04 6.29213282e-05] [-1.32114695e-04 -4.72366451e-13 -6.29213292e-05] [-1.32114694e-04 -3.09159382e-13 6.29213301e-05] [ 1.32114695e-04 -3.51760721e-13 -6.29213300e-05] [ 1.32114693e-04 -2.17045132e-13 6.29213311e-05] [ 5.47109072e-05 5.47109079e-05 6.00169211e-13] [-5.47109072e-05 5.47109082e-05 3.16852044e-13] [ 5.47109065e-05 -5.47109088e-05 6.93425833e-13] [-5.47109057e-05 -5.47109091e-05 3.15473776e-13]] Final stress: [-7.62959750e-07 -7.62959747e-07 -2.71129654e-05 1.41321680e-16 -1.16382560e-17 -2.14476431e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 6.49349734e-05 2.75821033e-15 3.00974523e-13] [-6.49349730e-05 7.52259366e-13 5.81756865e-14] [-9.65359303e-13 -2.16332075e-03 -7.07407223e-13] [-2.38947750e-13 2.16332075e-03 -1.81188398e-13] [ 3.23608328e-14 6.05839164e-14 6.49349727e-05] [-4.53526106e-13 3.04617442e-13 -6.49349717e-05] [ 6.49349734e-05 3.33777277e-13 -1.38349238e-13] [-6.49349743e-05 4.02536077e-13 1.25434095e-13] [ 3.77826676e-13 -2.16332075e-03 8.80377143e-13] [-5.51078280e-15 2.16332075e-03 5.37377167e-13] [-2.85090094e-13 3.50323143e-13 6.49349741e-05] [ 9.36473121e-13 6.49189152e-13 -6.49349724e-05] [ 1.86483041e-04 5.89371275e-04 1.86483042e-04] [-1.86483042e-04 -5.89371276e-04 1.86483043e-04] [-1.86483043e-04 5.89371273e-04 -1.86483042e-04] [ 1.86483042e-04 -5.89371275e-04 -1.86483042e-04] [ 1.86483040e-04 5.89371275e-04 -1.86483043e-04] [-1.86483042e-04 -5.89371272e-04 -1.86483043e-04] [ 1.86483041e-04 -5.89371275e-04 1.86483042e-04] [-1.86483042e-04 5.89371276e-04 1.86483043e-04] [ 1.86483040e-04 5.89371275e-04 1.86483040e-04] [-1.86483042e-04 -5.89371274e-04 1.86483043e-04] [-1.86483041e-04 5.89371274e-04 -1.86483041e-04] [ 1.86483042e-04 -5.89371275e-04 -1.86483043e-04] [ 1.86483042e-04 5.89371275e-04 -1.86483043e-04] [-1.86483041e-04 -5.89371275e-04 -1.86483042e-04] [ 1.86483043e-04 -5.89371275e-04 1.86483043e-04] [-1.86483042e-04 5.89371274e-04 1.86483043e-04] [-6.73489042e-13 1.97630801e-12 -5.04152275e-13] [ 2.06322546e-12 1.09837073e-12 -1.51520724e-12] [ 3.70736775e-12 -7.52399985e-04 -7.19696928e-05] [ 1.92977752e-12 7.52399983e-04 -7.19696934e-05] [ 4.71008475e-12 -7.52399984e-04 7.19696929e-05] [ 1.96444944e-12 7.52399984e-04 7.19696928e-05] [-4.36832067e-04 -3.58546526e-12 -4.36832070e-04] [-4.36832065e-04 -2.47046654e-12 4.36832072e-04] [ 4.36832073e-04 -2.29883473e-12 -4.36832066e-04] [ 4.36832071e-04 8.29508337e-13 4.36832064e-04] [-7.19696839e-05 -7.52399993e-04 2.51054733e-12] [ 7.19696879e-05 -7.52399986e-04 -5.29614547e-13] [-7.19696894e-05 7.52399986e-04 -4.92817592e-14] [ 7.19696926e-05 7.52399983e-04 -7.41923883e-14] [-3.02030319e-12 -7.52399985e-04 -7.19696932e-05] [-1.90925661e-12 7.52399988e-04 -7.19696885e-05] [ 1.47332754e-12 -7.52399983e-04 7.19696943e-05] [-2.81074816e-12 7.52399990e-04 7.19696857e-05] [-4.36832067e-04 1.43816543e-12 -4.36832068e-04] [-4.36832068e-04 1.62370421e-12 4.36832067e-04] [ 4.36832063e-04 8.06667667e-13 -4.36832074e-04] [ 4.36832066e-04 1.10892372e-12 4.36832074e-04] [-7.19696940e-05 -7.52399980e-04 -3.66694154e-13] [ 7.19696907e-05 -7.52399985e-04 -3.52937419e-13] [-7.19696958e-05 7.52399979e-04 -4.45810814e-13] [ 7.19696860e-05 7.52399989e-04 4.14490491e-13]] Final stress: [ 2.24568105e-06 5.43296141e-05 2.24568106e-06 -9.06036972e-16 -6.41706920e-16 -9.32636223e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.00266402e-04 2.69315820e-13 1.72767183e-13] [ 1.00266400e-04 2.93098879e-13 -1.04888320e-13] [ 9.49696051e-14 6.25338512e-04 1.10677960e-13] [-3.55271368e-14 -6.25338512e-04 2.13828955e-13] [ 2.59798259e-13 8.65869876e-14 -1.00266401e-04] [ 2.33091324e-13 -9.17321774e-14 1.00266400e-04] [-1.00266401e-04 1.80630250e-13 -3.23231549e-14] [ 1.00266401e-04 2.06819371e-13 8.71749670e-14] [-2.66384571e-13 6.25338512e-04 -1.92810337e-13] [-1.32891528e-13 -6.25338511e-04 -2.48614504e-13] [-1.82154639e-13 -3.13559700e-13 -1.00266402e-04] [-9.68053762e-14 2.72529687e-13 1.00266401e-04] [-1.20928241e-04 -3.04091300e-04 -1.20928240e-04] [ 1.20928241e-04 3.04091301e-04 -1.20928241e-04] [ 1.20928241e-04 -3.04091301e-04 1.20928241e-04] [-1.20928241e-04 3.04091300e-04 1.20928241e-04] [-1.20928240e-04 -3.04091300e-04 1.20928241e-04] [ 1.20928241e-04 3.04091301e-04 1.20928242e-04] [-1.20928240e-04 3.04091300e-04 -1.20928241e-04] [ 1.20928241e-04 -3.04091301e-04 -1.20928241e-04] [-1.20928241e-04 -3.04091301e-04 -1.20928241e-04] [ 1.20928241e-04 3.04091300e-04 -1.20928241e-04] [ 1.20928240e-04 -3.04091301e-04 1.20928240e-04] [-1.20928241e-04 3.04091301e-04 1.20928241e-04] [-1.20928241e-04 -3.04091301e-04 1.20928241e-04] [ 1.20928240e-04 3.04091300e-04 1.20928240e-04] [-1.20928241e-04 3.04091301e-04 -1.20928241e-04] [ 1.20928241e-04 -3.04091301e-04 -1.20928241e-04] [ 1.52616808e-12 4.95076202e-13 1.19035337e-12] [-1.37664402e-12 -5.90695414e-13 5.96056441e-13] [ 7.89368571e-14 -5.75276473e-04 3.06216810e-04] [ 2.51007548e-13 5.75276472e-04 3.06216808e-04] [ 2.63745623e-13 -5.75276473e-04 -3.06216810e-04] [ 8.30238656e-14 5.75276472e-04 -3.06216808e-04] [ 2.53153525e-05 -7.32081062e-13 2.53153524e-05] [ 2.53153520e-05 1.87402177e-14 -2.53153523e-05] [-2.53153523e-05 -4.88619561e-13 2.53153523e-05] [-2.53153519e-05 -1.43862353e-13 -2.53153520e-05] [ 3.06216808e-04 -5.75276471e-04 1.41719969e-12] [-3.06216809e-04 -5.75276473e-04 1.95809861e-12] [ 3.06216807e-04 5.75276471e-04 -7.22338855e-14] [-3.06216809e-04 5.75276473e-04 6.11018180e-13] [ 8.46396304e-13 -5.75276472e-04 3.06216808e-04] [ 2.31107234e-13 5.75276471e-04 3.06216808e-04] [ 7.08820155e-13 -5.75276472e-04 -3.06216808e-04] [ 1.29491079e-12 5.75276473e-04 -3.06216810e-04] [ 2.53153529e-05 4.24663349e-13 2.53153517e-05] [ 2.53153517e-05 3.70170691e-13 -2.53153528e-05] [-2.53153519e-05 1.20191487e-12 2.53153527e-05] [-2.53153515e-05 4.37412693e-13 -2.53153534e-05] [ 3.06216807e-04 -5.75276472e-04 3.17710354e-13] [-3.06216808e-04 -5.75276472e-04 7.44918714e-13] [ 3.06216809e-04 5.75276473e-04 4.70920235e-13] [-3.06216809e-04 5.75276473e-04 8.07393648e-13]] Final stress: [-8.78452340e-07 -2.50251498e-05 -8.78452342e-07 -4.10664175e-16 -2.82643359e-17 -2.09488607e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.89564964e-04 -5.36224710e-14 1.14623155e-13] [-3.89564963e-04 -2.94653191e-13 1.31561428e-13] [ 4.28350931e-14 -9.80255534e-05 -1.14352614e-04] [ 1.05082609e-13 9.80255538e-05 1.14352613e-04] [ 3.09812939e-13 -1.14352613e-04 -9.80255540e-05] [ 5.10702591e-15 1.14352613e-04 9.80255537e-05] [ 3.89564964e-04 1.61171423e-13 -5.01500455e-14] [-3.89564964e-04 1.71069756e-13 -1.47207149e-13] [ 1.20461800e-13 -9.80255536e-05 -1.14352613e-04] [ 8.19930061e-14 9.80255542e-05 1.14352614e-04] [-2.20612591e-13 -1.14352614e-04 -9.80255535e-05] [-1.70748832e-14 1.14352613e-04 9.80255540e-05] [ 1.48598264e-04 1.22606099e-04 1.22606099e-04] [ 2.31566381e-04 -1.80973020e-04 1.80973020e-04] [ 2.31566381e-04 1.80973020e-04 -1.80973020e-04] [ 1.48598263e-04 -1.22606099e-04 -1.22606099e-04] [-2.31566381e-04 1.80973020e-04 -1.80973019e-04] [-1.48598263e-04 -1.22606098e-04 -1.22606099e-04] [-2.31566381e-04 -1.80973020e-04 1.80973020e-04] [-1.48598264e-04 1.22606099e-04 1.22606099e-04] [ 1.48598264e-04 1.22606099e-04 1.22606099e-04] [ 2.31566381e-04 -1.80973020e-04 1.80973020e-04] [ 2.31566381e-04 1.80973021e-04 -1.80973020e-04] [ 1.48598263e-04 -1.22606099e-04 -1.22606099e-04] [-2.31566381e-04 1.80973021e-04 -1.80973020e-04] [-1.48598264e-04 -1.22606099e-04 -1.22606099e-04] [-2.31566381e-04 -1.80973020e-04 1.80973020e-04] [-1.48598264e-04 1.22606099e-04 1.22606099e-04] [-2.42722509e-13 -9.96591698e-13 3.31484840e-13] [-7.95639596e-14 -6.55633952e-14 -6.16561201e-13] [-8.59978755e-13 5.48821612e-04 5.48821613e-04] [ 1.80813697e-13 3.15823596e-05 -3.15823588e-05] [-4.77796622e-13 -3.15823603e-05 3.15823586e-05] [ 6.60686783e-14 -5.48821612e-04 -5.48821612e-04] [-7.09548754e-05 3.78365495e-04 2.11700531e-04] [-7.09548762e-05 -3.78365495e-04 -2.11700532e-04] [ 7.09548748e-05 3.78365494e-04 2.11700530e-04] [ 7.09548760e-05 -3.78365495e-04 -2.11700531e-04] [-7.09548750e-05 2.11700530e-04 3.78365494e-04] [ 7.09548748e-05 2.11700530e-04 3.78365493e-04] [-7.09548742e-05 -2.11700530e-04 -3.78365495e-04] [ 7.09548756e-05 -2.11700531e-04 -3.78365494e-04] [-1.00743112e-12 5.48821611e-04 5.48821613e-04] [ 1.36613811e-13 3.15823610e-05 -3.15823572e-05] [-1.68540095e-13 -3.15823593e-05 3.15823582e-05] [-7.64709476e-14 -5.48821613e-04 -5.48821612e-04] [-7.09548755e-05 3.78365494e-04 2.11700531e-04] [-7.09548757e-05 -3.78365494e-04 -2.11700531e-04] [ 7.09548755e-05 3.78365494e-04 2.11700531e-04] [ 7.09548752e-05 -3.78365495e-04 -2.11700530e-04] [-7.09548758e-05 2.11700531e-04 3.78365494e-04] [ 7.09548753e-05 2.11700531e-04 3.78365494e-04] [-7.09548738e-05 -2.11700529e-04 -3.78365494e-04] [ 7.09548754e-05 -2.11700531e-04 -3.78365494e-04]] Final stress: [-1.42563533e-05 9.99471450e-06 9.99471450e-06 9.48402589e-06 1.18036923e-16 7.81371178e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.19511351e-04 -1.08124013e-13 2.03457043e-13] [-4.19511351e-04 -1.12909682e-13 -2.46525023e-13] [-2.58812069e-14 -3.24607345e-05 1.01899464e-04] [-1.52933222e-13 3.24607352e-05 -1.01899465e-04] [ 9.34712377e-15 1.01899465e-04 -3.24607356e-05] [-1.31006317e-14 -1.01899465e-04 3.24607350e-05] [ 4.19511351e-04 5.99598496e-14 -3.46330695e-14] [-4.19511350e-04 2.48153928e-13 9.97121776e-14] [ 1.86357006e-13 -3.24607354e-05 1.01899465e-04] [ 3.23187657e-14 3.24607353e-05 -1.01899465e-04] [ 3.03767428e-14 1.01899464e-04 -3.24607347e-05] [ 3.97763419e-14 -1.01899465e-04 3.24607353e-05] [-2.75262566e-04 1.58657858e-04 1.58657858e-04] [-1.63113359e-04 -1.36639204e-04 1.36639203e-04] [-1.63113359e-04 1.36639203e-04 -1.36639203e-04] [-2.75262566e-04 -1.58657858e-04 -1.58657859e-04] [ 1.63113359e-04 1.36639203e-04 -1.36639204e-04] [ 2.75262566e-04 -1.58657858e-04 -1.58657859e-04] [ 1.63113359e-04 -1.36639204e-04 1.36639204e-04] [ 2.75262566e-04 1.58657858e-04 1.58657858e-04] [-2.75262566e-04 1.58657859e-04 1.58657858e-04] [-1.63113359e-04 -1.36639204e-04 1.36639203e-04] [-1.63113359e-04 1.36639204e-04 -1.36639204e-04] [-2.75262566e-04 -1.58657858e-04 -1.58657858e-04] [ 1.63113359e-04 1.36639203e-04 -1.36639204e-04] [ 2.75262566e-04 -1.58657858e-04 -1.58657858e-04] [ 1.63113359e-04 -1.36639203e-04 1.36639203e-04] [ 2.75262566e-04 1.58657859e-04 1.58657858e-04] [ 6.50285381e-13 -1.14783183e-12 2.47968313e-13] [-7.01770239e-13 6.30438168e-13 -5.31828637e-13] [ 1.82076576e-13 -7.03104040e-05 -7.03104056e-05] [-7.89765822e-13 -5.64590818e-04 5.64590813e-04] [ 2.94032160e-13 5.64590815e-04 -5.64590815e-04] [-4.25879818e-13 7.03104024e-05 7.03104072e-05] [-4.50566769e-06 -3.21696540e-04 1.22190189e-04] [-4.50566863e-06 3.21696538e-04 -1.22190190e-04] [ 4.50566715e-06 -3.21696540e-04 1.22190189e-04] [ 4.50566936e-06 3.21696539e-04 -1.22190191e-04] [-4.50566673e-06 1.22190188e-04 -3.21696539e-04] [ 4.50566672e-06 1.22190188e-04 -3.21696540e-04] [-4.50566704e-06 -1.22190188e-04 3.21696540e-04] [ 4.50566633e-06 -1.22190188e-04 3.21696540e-04] [-3.53678024e-13 -7.03104054e-05 -7.03104040e-05] [ 1.19036725e-14 -5.64590814e-04 5.64590816e-04] [ 8.23067309e-13 5.64590815e-04 -5.64590815e-04] [ 5.35753299e-13 7.03104048e-05 7.03104048e-05] [-4.50566624e-06 -3.21696539e-04 1.22190188e-04] [-4.50566591e-06 3.21696540e-04 -1.22190187e-04] [ 4.50566595e-06 -3.21696539e-04 1.22190187e-04] [ 4.50566683e-06 3.21696540e-04 -1.22190188e-04] [-4.50566950e-06 1.22190191e-04 -3.21696539e-04] [ 4.50567042e-06 1.22190192e-04 -3.21696539e-04] [-4.50566803e-06 -1.22190190e-04 3.21696541e-04] [ 4.50566665e-06 -1.22190189e-04 3.21696540e-04]] Final stress: [-1.42355756e-05 1.03700936e-05 1.03700936e-05 -9.57857734e-06 8.31245934e-17 4.98747560e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.70429795e-04 -7.93605633e-14 -4.90081066e-14] [ 4.70429795e-04 1.95898853e-13 -3.02535774e-15] [ 6.51614179e-14 -3.84294558e-05 -9.49189285e-06] [-3.42226247e-14 3.84294562e-05 9.49189271e-06] [-6.67508583e-14 -9.49189294e-06 -3.84294565e-05] [ 2.52853294e-14 9.49189287e-06 3.84294550e-05] [-4.70429795e-04 -2.18076425e-14 2.39505357e-14] [ 4.70429795e-04 -1.00245333e-14 -1.48331394e-13] [ 8.18381821e-14 -3.84294555e-05 -9.49189270e-06] [ 5.30955488e-15 3.84294559e-05 9.49189273e-06] [-9.80977452e-14 -9.49189276e-06 -3.84294563e-05] [ 2.37860946e-14 9.49189285e-06 3.84294557e-05] [ 3.65757340e-04 -1.63991868e-04 -1.63991869e-04] [ 2.21559288e-04 1.29499661e-04 -1.29499662e-04] [ 2.21559288e-04 -1.29499661e-04 1.29499661e-04] [ 3.65757340e-04 1.63991868e-04 1.63991868e-04] [-2.21559288e-04 -1.29499661e-04 1.29499661e-04] [-3.65757340e-04 1.63991868e-04 1.63991869e-04] [-2.21559288e-04 1.29499661e-04 -1.29499661e-04] [-3.65757340e-04 -1.63991868e-04 -1.63991869e-04] [ 3.65757340e-04 -1.63991869e-04 -1.63991869e-04] [ 2.21559288e-04 1.29499662e-04 -1.29499661e-04] [ 2.21559288e-04 -1.29499661e-04 1.29499661e-04] [ 3.65757340e-04 1.63991868e-04 1.63991868e-04] [-2.21559288e-04 -1.29499661e-04 1.29499661e-04] [-3.65757340e-04 1.63991868e-04 1.63991868e-04] [-2.21559288e-04 1.29499662e-04 -1.29499661e-04] [-3.65757340e-04 -1.63991868e-04 -1.63991868e-04] [-1.35225164e-13 -2.98511216e-13 1.58209557e-12] [-3.80901907e-14 -2.42525519e-13 4.12942432e-13] [-2.72559753e-13 1.08818939e-04 1.08818944e-04] [-8.33812186e-14 5.57281100e-04 -5.57281098e-04] [ 5.98715522e-13 -5.57281099e-04 5.57281099e-04] [-7.48949514e-14 -1.08818942e-04 -1.08818941e-04] [-1.43020317e-04 2.87823971e-04 5.18949016e-05] [-1.43020316e-04 -2.87823973e-04 -5.18949008e-05] [ 1.43020316e-04 2.87823972e-04 5.18949006e-05] [ 1.43020316e-04 -2.87823972e-04 -5.18949011e-05] [-1.43020319e-04 5.18949037e-05 2.87823973e-04] [ 1.43020319e-04 5.18949040e-05 2.87823973e-04] [-1.43020318e-04 -5.18949036e-05 -2.87823971e-04] [ 1.43020318e-04 -5.18949027e-05 -2.87823972e-04] [ 3.98205340e-13 1.08818942e-04 1.08818940e-04] [-1.47095443e-13 5.57281097e-04 -5.57281101e-04] [ 3.82194276e-13 -5.57281098e-04 5.57281101e-04] [ 3.43342542e-13 -1.08818942e-04 -1.08818940e-04] [-1.43020317e-04 2.87823972e-04 5.18949027e-05] [-1.43020319e-04 -2.87823973e-04 -5.18949039e-05] [ 1.43020317e-04 2.87823972e-04 5.18949021e-05] [ 1.43020320e-04 -2.87823972e-04 -5.18949046e-05] [-1.43020317e-04 5.18949014e-05 2.87823973e-04] [ 1.43020318e-04 5.18949022e-05 2.87823972e-04] [-1.43020316e-04 -5.18949009e-05 -2.87823973e-04] [ 1.43020315e-04 -5.18949003e-05 -2.87823973e-04]] Final stress: [ 1.41103316e-05 -1.12793694e-05 -1.12793694e-05 1.05076059e-05 -1.34668112e-16 -1.42980959e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.06677969e-04 4.80609476e-14 -9.68626221e-15] [ 4.06677968e-04 3.39450690e-14 -7.24698079e-14] [ 7.85291970e-14 1.95631236e-05 1.75232667e-04] [ 1.29091182e-13 -1.95631227e-05 -1.75232667e-04] [ 8.22545157e-14 1.75232667e-04 1.95631231e-05] [ 8.53206394e-14 -1.75232667e-04 -1.95631234e-05] [-4.06677969e-04 2.32561366e-14 -2.99682756e-14] [ 4.06677969e-04 1.36192706e-13 1.42178369e-13] [-7.65099789e-15 1.95631225e-05 1.75232667e-04] [ 4.06575815e-15 -1.95631229e-05 -1.75232667e-04] [ 1.06526333e-13 1.75232667e-04 1.95631217e-05] [ 6.29054100e-14 -1.75232667e-04 -1.95631228e-05] [-1.25187803e-04 -1.63532556e-04 -1.63532556e-04] [-2.23719954e-04 1.36092864e-04 -1.36092864e-04] [-2.23719954e-04 -1.36092864e-04 1.36092864e-04] [-1.25187803e-04 1.63532555e-04 1.63532555e-04] [ 2.23719954e-04 -1.36092864e-04 1.36092864e-04] [ 1.25187803e-04 1.63532555e-04 1.63532555e-04] [ 2.23719954e-04 1.36092864e-04 -1.36092864e-04] [ 1.25187803e-04 -1.63532556e-04 -1.63532556e-04] [-1.25187804e-04 -1.63532556e-04 -1.63532556e-04] [-2.23719954e-04 1.36092864e-04 -1.36092865e-04] [-2.23719954e-04 -1.36092864e-04 1.36092864e-04] [-1.25187804e-04 1.63532556e-04 1.63532555e-04] [ 2.23719954e-04 -1.36092865e-04 1.36092864e-04] [ 1.25187803e-04 1.63532555e-04 1.63532555e-04] [ 2.23719954e-04 1.36092864e-04 -1.36092865e-04] [ 1.25187803e-04 -1.63532556e-04 -1.63532555e-04] [ 1.10109144e-12 -6.65550948e-13 6.24805763e-13] [ 4.58121822e-13 3.32876895e-13 9.50835405e-13] [ 4.41424675e-13 -5.90178544e-04 -5.90178546e-04] [ 2.25236496e-13 -6.46912120e-05 6.46912117e-05] [-1.09372580e-13 6.46912124e-05 -6.46912112e-05] [-2.87964097e-15 5.90178546e-04 5.90178545e-04] [ 8.56242468e-05 -2.90768629e-04 -2.16084810e-04] [ 8.56242462e-05 2.90768631e-04 2.16084810e-04] [-8.56242471e-05 -2.90768629e-04 -2.16084811e-04] [-8.56242464e-05 2.90768630e-04 2.16084811e-04] [ 8.56242466e-05 -2.16084810e-04 -2.90768630e-04] [-8.56242470e-05 -2.16084811e-04 -2.90768629e-04] [ 8.56242472e-05 2.16084811e-04 2.90768630e-04] [-8.56242481e-05 2.16084812e-04 2.90768630e-04] [ 5.26299924e-13 -5.90178546e-04 -5.90178544e-04] [ 1.32675121e-13 -6.46912119e-05 6.46912112e-05] [ 3.76514358e-13 6.46912108e-05 -6.46912123e-05] [ 6.12143582e-13 5.90178545e-04 5.90178546e-04] [ 8.56242473e-05 -2.90768630e-04 -2.16084812e-04] [ 8.56242473e-05 2.90768629e-04 2.16084812e-04] [-8.56242465e-05 -2.90768630e-04 -2.16084811e-04] [-8.56242468e-05 2.90768629e-04 2.16084811e-04] [ 8.56242472e-05 -2.16084811e-04 -2.90768629e-04] [-8.56242468e-05 -2.16084811e-04 -2.90768629e-04] [ 8.56242456e-05 2.16084810e-04 2.90768630e-04] [-8.56242457e-05 2.16084810e-04 2.90768630e-04]] Final stress: [ 1.36877477e-05 -1.01681458e-05 -1.01681458e-05 -8.78491807e-06 1.49631236e-16 -1.57944082e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.31066469e-04 -1.81864072e-13 -7.28593388e-05] [-4.31066469e-04 6.88893387e-14 7.28593388e-05] [-1.18460363e-13 -2.20685338e-05 2.70649388e-13] [-1.52350355e-13 2.20685333e-05 2.16993090e-13] [-7.25381422e-05 -4.22843184e-14 -2.15197364e-05] [ 7.25381425e-05 -2.30371278e-14 2.15197360e-05] [ 4.31066469e-04 -7.41975925e-14 -7.28593388e-05] [-4.31066469e-04 -6.59780390e-14 7.28593389e-05] [ 9.34929217e-15 -2.20685339e-05 -1.23227816e-13] [ 1.71989593e-13 2.20685337e-05 -6.70135048e-15] [-7.25381425e-05 3.22831060e-14 -2.15197354e-05] [ 7.25381424e-05 5.06299547e-14 2.15197360e-05] [-7.58464628e-05 3.86908917e-04 1.31066394e-04] [ 4.42294336e-05 9.32612787e-05 1.63068491e-04] [ 7.58464631e-05 3.86908917e-04 -1.31066394e-04] [-4.42294338e-05 9.32612786e-05 -1.63068491e-04] [-4.42294342e-05 -9.32612787e-05 -1.63068491e-04] [ 7.58464633e-05 -3.86908917e-04 -1.31066394e-04] [-7.58464628e-05 -3.86908917e-04 1.31066394e-04] [ 4.42294336e-05 -9.32612791e-05 1.63068491e-04] [-7.58464632e-05 3.86908917e-04 1.31066393e-04] [ 4.42294339e-05 9.32612789e-05 1.63068491e-04] [ 7.58464627e-05 3.86908917e-04 -1.31066394e-04] [-4.42294336e-05 9.32612788e-05 -1.63068491e-04] [-4.42294336e-05 -9.32612786e-05 -1.63068491e-04] [ 7.58464626e-05 -3.86908917e-04 -1.31066394e-04] [-7.58464632e-05 -3.86908917e-04 1.31066394e-04] [ 4.42294338e-05 -9.32612785e-05 1.63068491e-04] [ 1.00086606e-13 1.31866740e-13 8.52984350e-13] [-6.53021040e-13 5.48336858e-14 -6.74010544e-13] [ 3.20278382e-04 2.40509123e-04 2.40594365e-04] [ 3.20278383e-04 -2.40509122e-04 2.40594365e-04] [-3.20278382e-04 2.40509123e-04 -2.40594364e-04] [-3.20278383e-04 -2.40509123e-04 -2.40594365e-04] [ 3.56180498e-04 4.04121181e-14 3.93851062e-04] [-2.82626571e-04 5.74592457e-13 2.45153494e-04] [ 2.82626571e-04 5.88459836e-13 -2.45153493e-04] [-3.56180497e-04 -3.70354789e-13 -3.93851062e-04] [ 3.67490438e-05 7.42361730e-05 3.19997341e-04] [-3.67490433e-05 7.42361732e-05 -3.19997341e-04] [ 3.67490433e-05 -7.42361735e-05 3.19997341e-04] [-3.67490437e-05 -7.42361727e-05 -3.19997341e-04] [ 3.20278383e-04 2.40509123e-04 2.40594364e-04] [ 3.20278382e-04 -2.40509123e-04 2.40594364e-04] [-3.20278382e-04 2.40509124e-04 -2.40594363e-04] [-3.20278382e-04 -2.40509124e-04 -2.40594363e-04] [ 3.56180496e-04 -1.11106810e-13 3.93851063e-04] [-2.82626572e-04 -2.96882310e-13 2.45153492e-04] [ 2.82626572e-04 -8.88208777e-14 -2.45153493e-04] [-3.56180496e-04 4.04339756e-13 -3.93851063e-04] [ 3.67490449e-05 7.42361724e-05 3.19997342e-04] [-3.67490456e-05 7.42361718e-05 -3.19997341e-04] [ 3.67490439e-05 -7.42361730e-05 3.19997341e-04] [-3.67490447e-05 -7.42361722e-05 -3.19997341e-04]] Final stress: [-1.43090708e-05 1.05582954e-05 1.05629377e-05 4.65497723e-17 9.86764075e-06 -3.69073195e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.59820628e-04 4.73232564e-14 4.15327271e-05] [-4.59820628e-04 1.31727962e-13 -4.15327267e-05] [ 2.45570925e-13 3.08773073e-05 1.11793387e-13] [ 1.95538030e-13 -3.08773067e-05 -1.03250741e-14] [ 4.12048757e-05 9.16142162e-14 3.14124022e-05] [-4.12048754e-05 1.31838984e-14 -3.14124023e-05] [ 4.59820628e-04 1.05995508e-13 4.15327268e-05] [-4.59820628e-04 -1.63312072e-13 -4.15327271e-05] [-3.47962978e-13 3.08773067e-05 1.22868949e-13] [-4.23554421e-14 -3.08773071e-05 2.16963005e-14] [ 4.12048750e-05 3.91960212e-14 3.14124028e-05] [-4.12048753e-05 1.24906844e-13 -3.14124024e-05] [-6.58076065e-05 -1.32915046e-04 1.51293198e-04] [ 8.06688641e-05 -4.19853981e-04 1.36124266e-04] [ 6.58076066e-05 -1.32915046e-04 -1.51293198e-04] [-8.06688639e-05 -4.19853981e-04 -1.36124266e-04] [-8.06688643e-05 4.19853981e-04 -1.36124266e-04] [ 6.58076065e-05 1.32915046e-04 -1.51293199e-04] [-6.58076062e-05 1.32915046e-04 1.51293198e-04] [ 8.06688641e-05 4.19853981e-04 1.36124266e-04] [-6.58076062e-05 -1.32915046e-04 1.51293198e-04] [ 8.06688639e-05 -4.19853981e-04 1.36124266e-04] [ 6.58076060e-05 -1.32915046e-04 -1.51293198e-04] [-8.06688645e-05 -4.19853981e-04 -1.36124266e-04] [-8.06688643e-05 4.19853981e-04 -1.36124266e-04] [ 6.58076060e-05 1.32915046e-04 -1.51293198e-04] [-6.58076064e-05 1.32915046e-04 1.51293198e-04] [ 8.06688638e-05 4.19853981e-04 1.36124266e-04] [ 4.40841808e-13 -3.19327897e-13 3.86302101e-13] [ 3.19483155e-13 1.87497551e-13 -2.56252151e-13] [-2.80302917e-04 2.27297832e-04 2.27373129e-04] [-2.80302916e-04 -2.27297831e-04 2.27373130e-04] [ 2.80302917e-04 2.27297831e-04 -2.27373129e-04] [ 2.80302917e-04 -2.27297830e-04 -2.27373130e-04] [-2.23607261e-04 -4.29656311e-14 -3.64020201e-04] [ 4.54161962e-04 7.89038973e-13 -3.13737419e-04] [-4.54161964e-04 -5.24863139e-13 3.13737416e-04] [ 2.23607262e-04 -5.89649857e-14 3.64020201e-04] [ 1.15238565e-04 -2.52547594e-05 -2.80010855e-04] [-1.15238565e-04 -2.52547594e-05 2.80010856e-04] [ 1.15238565e-04 2.52547591e-05 -2.80010856e-04] [-1.15238564e-04 2.52547584e-05 2.80010855e-04] [-2.80302916e-04 2.27297831e-04 2.27373129e-04] [-2.80302916e-04 -2.27297831e-04 2.27373129e-04] [ 2.80302916e-04 2.27297832e-04 -2.27373128e-04] [ 2.80302916e-04 -2.27297831e-04 -2.27373129e-04] [-2.23607263e-04 1.01265089e-13 -3.64020200e-04] [ 4.54161962e-04 -2.78788711e-13 -3.13737418e-04] [-4.54161963e-04 1.02508713e-13 3.13737417e-04] [ 2.23607263e-04 -3.73135550e-13 3.64020200e-04] [ 1.15238566e-04 -2.52547595e-05 -2.80010856e-04] [-1.15238566e-04 -2.52547597e-05 2.80010857e-04] [ 1.15238566e-04 2.52547601e-05 -2.80010856e-04] [-1.15238565e-04 2.52547586e-05 2.80010857e-04]] Final stress: [-1.43470052e-05 1.09652186e-05 1.09702594e-05 3.45798309e-16 -1.01694303e-05 6.64996747e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.38344708e-04 -1.21029055e-13 -9.25029310e-05] [ 4.38344707e-04 -1.82381887e-13 9.25029313e-05] [ 1.07843422e-14 -9.47712984e-06 -8.14196800e-14] [-5.43454171e-14 9.47712960e-06 -2.02338146e-14] [-9.28391404e-05 -4.30488978e-14 -8.95195181e-06] [ 9.28391406e-05 -9.10937992e-14 8.95195168e-06] [-4.38344708e-04 6.98104768e-14 -9.25029314e-05] [ 4.38344707e-04 1.14022940e-13 9.25029312e-05] [ 1.17418228e-13 -9.47713034e-06 1.47421724e-13] [-3.96726922e-14 9.47712972e-06 1.26459681e-13] [-9.28391408e-05 -2.07364121e-13 -8.95195180e-06] [ 9.28391405e-05 -7.17107426e-14 8.95195135e-06] [ 5.88505466e-05 8.58571392e-05 -1.50274257e-04] [-6.29741049e-05 3.83141428e-04 -1.46556250e-04] [-5.88505470e-05 8.58571394e-05 1.50274256e-04] [ 6.29741047e-05 3.83141428e-04 1.46556250e-04] [ 6.29741049e-05 -3.83141428e-04 1.46556250e-04] [-5.88505470e-05 -8.58571394e-05 1.50274256e-04] [ 5.88505464e-05 -8.58571393e-05 -1.50274256e-04] [-6.29741049e-05 -3.83141427e-04 -1.46556250e-04] [ 5.88505465e-05 8.58571394e-05 -1.50274256e-04] [-6.29741049e-05 3.83141427e-04 -1.46556250e-04] [-5.88505468e-05 8.58571397e-05 1.50274256e-04] [ 6.29741045e-05 3.83141428e-04 1.46556250e-04] [ 6.29741045e-05 -3.83141428e-04 1.46556250e-04] [-5.88505466e-05 -8.58571395e-05 1.50274257e-04] [ 5.88505467e-05 -8.58571392e-05 -1.50274256e-04] [-6.29741051e-05 -3.83141427e-04 -1.46556250e-04] [ 5.52002888e-13 -1.93789429e-13 -2.96707103e-14] [ 8.66223326e-13 3.86427495e-13 4.07792616e-13] [ 2.89587215e-04 -2.43642598e-04 -2.43550195e-04] [ 2.89587214e-04 2.43642597e-04 -2.43550196e-04] [-2.89587214e-04 -2.43642597e-04 2.43550196e-04] [-2.89587215e-04 2.43642596e-04 2.43550197e-04] [ 2.99955732e-04 -1.36890499e-13 2.48883477e-04] [-3.59829759e-04 -2.27673783e-13 4.10746974e-04] [ 3.59829758e-04 6.66400962e-13 -4.10746975e-04] [-2.99955732e-04 3.27366606e-13 -2.48883477e-04] [-2.99579079e-05 -8.10447860e-05 2.89876350e-04] [ 2.99579070e-05 -8.10447877e-05 -2.89876349e-04] [-2.99579067e-05 8.10447873e-05 2.89876350e-04] [ 2.99579062e-05 8.10447884e-05 -2.89876349e-04] [ 2.89587215e-04 -2.43642595e-04 -2.43550198e-04] [ 2.89587215e-04 2.43642595e-04 -2.43550199e-04] [-2.89587214e-04 -2.43642595e-04 2.43550197e-04] [-2.89587214e-04 2.43642594e-04 2.43550199e-04] [ 2.99955731e-04 7.66625186e-14 2.48883479e-04] [-3.59829762e-04 3.91287914e-13 4.10746972e-04] [ 3.59829761e-04 -4.99001881e-14 -4.10746972e-04] [-2.99955728e-04 9.10456606e-14 -2.48883480e-04] [-2.99579046e-05 -8.10447898e-05 2.89876349e-04] [ 2.99579054e-05 -8.10447888e-05 -2.89876349e-04] [-2.99579041e-05 8.10447901e-05 2.89876349e-04] [ 2.99579036e-05 8.10447905e-05 -2.89876349e-04]] Final stress: [ 1.39200411e-05 -1.07328126e-05 -1.07283224e-05 -1.77894914e-16 9.65681588e-06 1.74569775e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.00451030e-04 7.98519237e-14 1.28925766e-04] [ 4.00451030e-04 -9.50906021e-14 -1.28925766e-04] [-2.45784296e-14 5.73212534e-05 -2.30539546e-13] [ 1.12104770e-13 -5.73212535e-05 4.50750548e-14] [ 1.29257749e-04 -3.91986790e-14 5.78643918e-05] [-1.29257749e-04 -7.66608999e-14 -5.78643916e-05] [-4.00451030e-04 -1.81572205e-13 1.28925766e-04] [ 4.00451030e-04 -6.97454247e-14 -1.28925766e-04] [ 2.11419424e-15 5.73212523e-05 8.58686932e-14] [-8.55665365e-14 -5.73212530e-05 -1.06909081e-13] [ 1.29257749e-04 -1.37351344e-13 5.78643917e-05] [-1.29257749e-04 2.99112230e-14 -5.78643920e-05] [ 5.72560975e-05 -3.44211881e-04 -1.40362218e-04] [-3.23045565e-05 -3.85638966e-05 -1.64817621e-04] [-5.72560972e-05 -3.44211881e-04 1.40362218e-04] [ 3.23045565e-05 -3.85638967e-05 1.64817620e-04] [ 3.23045564e-05 3.85638969e-05 1.64817620e-04] [-5.72560978e-05 3.44211881e-04 1.40362218e-04] [ 5.72560973e-05 3.44211881e-04 -1.40362218e-04] [-3.23045563e-05 3.85638966e-05 -1.64817621e-04] [ 5.72560968e-05 -3.44211881e-04 -1.40362218e-04] [-3.23045565e-05 -3.85638972e-05 -1.64817621e-04] [-5.72560973e-05 -3.44211881e-04 1.40362218e-04] [ 3.23045564e-05 -3.85638970e-05 1.64817621e-04] [ 3.23045563e-05 3.85638966e-05 1.64817621e-04] [-5.72560971e-05 3.44211881e-04 1.40362218e-04] [ 5.72560969e-05 3.44211881e-04 -1.40362218e-04] [-3.23045566e-05 3.85638969e-05 -1.64817621e-04] [-1.65978342e-14 1.66588965e-13 2.81996648e-14] [-7.58950194e-13 4.30836933e-13 -8.23209814e-14] [-3.37805603e-04 -2.60206161e-04 -2.60102570e-04] [-3.37805603e-04 2.60206161e-04 -2.60102570e-04] [ 3.37805604e-04 -2.60206161e-04 2.60102570e-04] [ 3.37805603e-04 2.60206161e-04 2.60102570e-04] [-2.43691984e-04 6.81676937e-14 -5.06351803e-04] [ 3.68811619e-04 6.05371656e-13 -1.05750269e-04] [-3.68811618e-04 4.78426326e-13 1.05750270e-04] [ 2.43691982e-04 4.62910960e-13 5.06351805e-04] [ 6.25514480e-05 -2.00412428e-04 -3.38079850e-04] [-6.25514486e-05 -2.00412429e-04 3.38079852e-04] [ 6.25514480e-05 2.00412428e-04 -3.38079851e-04] [-6.25514479e-05 2.00412429e-04 3.38079851e-04] [-3.37805604e-04 -2.60206159e-04 -2.60102571e-04] [-3.37805603e-04 2.60206159e-04 -2.60102571e-04] [ 3.37805604e-04 -2.60206161e-04 2.60102570e-04] [ 3.37805605e-04 2.60206161e-04 2.60102569e-04] [-2.43691984e-04 5.28140037e-13 -5.06351804e-04] [ 3.68811617e-04 1.88618652e-14 -1.05750270e-04] [-3.68811617e-04 1.09455847e-13 1.05750270e-04] [ 2.43691984e-04 -4.46479225e-13 5.06351804e-04] [ 6.25514493e-05 -2.00412429e-04 -3.38079851e-04] [-6.25514492e-05 -2.00412429e-04 3.38079850e-04] [ 6.25514484e-05 2.00412429e-04 -3.38079851e-04] [-6.25514484e-05 2.00412429e-04 3.38079850e-04]] Final stress: [ 1.38849209e-05 -1.02280763e-05 -1.02240388e-05 3.49139550e-17 -9.30625777e-06 -6.81653407e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.11710181e-04 -1.33535168e-04 2.12168824e-13] [-4.11710181e-04 1.33535168e-04 4.51305660e-14] [-1.33173038e-04 -3.37615381e-05 2.15766641e-13] [ 1.33173038e-04 3.37615377e-05 1.27703403e-13] [-3.91383974e-14 2.24197397e-13 -3.42967930e-05] [ 9.01223540e-14 2.87325719e-13 3.42967930e-05] [ 4.11710180e-04 -1.33535169e-04 -1.29943253e-13] [-4.11710180e-04 1.33535169e-04 1.98034266e-14] [-1.33173037e-04 -3.37615376e-05 -2.31794609e-13] [ 1.33173037e-04 3.37615386e-05 -1.54723771e-13] [ 2.15981746e-14 -2.74825970e-13 -3.42967937e-05] [-1.80595556e-13 -1.83023778e-13 3.42967931e-05] [-5.51797712e-05 1.45407788e-04 3.46125232e-04] [ 5.51797714e-05 -1.45407788e-04 3.46125232e-04] [ 5.13955156e-05 1.49692522e-04 5.14759891e-05] [-5.13955162e-05 -1.49692521e-04 5.14759897e-05] [-5.51797713e-05 1.45407788e-04 -3.46125232e-04] [ 5.51797716e-05 -1.45407788e-04 -3.46125232e-04] [-5.13955160e-05 -1.49692521e-04 -5.14759895e-05] [ 5.13955156e-05 1.49692522e-04 -5.14759891e-05] [-5.51797722e-05 1.45407788e-04 3.46125232e-04] [ 5.51797711e-05 -1.45407788e-04 3.46125232e-04] [ 5.13955159e-05 1.49692521e-04 5.14759890e-05] [-5.13955152e-05 -1.49692522e-04 5.14759892e-05] [-5.51797719e-05 1.45407788e-04 -3.46125232e-04] [ 5.51797712e-05 -1.45407788e-04 -3.46125232e-04] [-5.13955155e-05 -1.49692522e-04 -5.14759896e-05] [ 5.13955158e-05 1.49692521e-04 -5.14759899e-05] [ 6.05071548e-13 9.76774217e-13 7.88868970e-13] [ 4.26785777e-13 -1.09363182e-12 4.21235596e-13] [ 3.14173876e-04 2.53162292e-04 2.53057487e-04] [-3.14173874e-04 -2.53162293e-04 2.53057486e-04] [ 3.14173875e-04 2.53162290e-04 -2.53057489e-04] [-3.14173874e-04 -2.53162291e-04 -2.53057487e-04] [-4.54813279e-05 3.13878631e-04 1.66999371e-04] [-4.54813289e-05 3.13878630e-04 -1.66999371e-04] [ 4.54813286e-05 -3.13878633e-04 1.66999372e-04] [ 4.54813295e-05 -3.13878633e-04 -1.66999372e-04] [ 2.75140655e-04 4.87877806e-04 -5.54556401e-13] [ 3.66074025e-04 -1.53641022e-04 2.30801489e-13] [-3.66074025e-04 1.53641023e-04 -7.27674865e-13] [-2.75140651e-04 -4.87877809e-04 1.90590599e-13] [ 3.14173873e-04 2.53162290e-04 2.53057488e-04] [-3.14173874e-04 -2.53162288e-04 2.53057490e-04] [ 3.14173874e-04 2.53162290e-04 -2.53057488e-04] [-3.14173874e-04 -2.53162288e-04 -2.53057490e-04] [-4.54813277e-05 3.13878633e-04 1.66999370e-04] [-4.54813267e-05 3.13878633e-04 -1.66999370e-04] [ 4.54813268e-05 -3.13878632e-04 1.66999369e-04] [ 4.54813244e-05 -3.13878632e-04 -1.66999367e-04] [ 2.75140649e-04 4.87877810e-04 5.04266195e-13] [ 3.66074029e-04 -1.53641019e-04 4.44464188e-13] [-3.66074027e-04 1.53641020e-04 6.05874387e-13] [-2.75140652e-04 -4.87877808e-04 4.08236379e-13]] Final stress: [-1.41193410e-05 1.01971453e-05 1.01927168e-05 -2.99248536e-17 4.65497723e-17 9.23240074e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.66214975e-04 2.36819140e-05 1.57304725e-14] [-4.66214975e-04 -2.36819137e-05 -1.40554235e-13] [ 2.33641576e-05 3.70499482e-05 -6.95788913e-14] [-2.33641576e-05 -3.70499481e-05 -2.89768209e-13] [ 2.84117348e-14 3.05515162e-14 3.65115397e-05] [ 5.11535259e-14 1.38555833e-13 -3.65115405e-05] [ 4.66214975e-04 2.36819138e-05 -3.82463398e-14] [-4.66214976e-04 -2.36819138e-05 5.46627877e-14] [ 2.33641578e-05 3.70499479e-05 1.20923534e-13] [-2.33641578e-05 -3.70499484e-05 2.00917260e-13] [-1.52221985e-15 9.07017445e-14 3.65115398e-05] [ 1.56138123e-14 -7.57345468e-14 -3.65115398e-05] [-6.47945340e-05 1.54369363e-04 -1.45960202e-04] [ 6.47945335e-05 -1.54369363e-04 -1.45960202e-04] [ 8.64715020e-05 1.32419662e-04 -4.32260197e-04] [-8.64715022e-05 -1.32419662e-04 -4.32260197e-04] [-6.47945339e-05 1.54369363e-04 1.45960202e-04] [ 6.47945334e-05 -1.54369363e-04 1.45960202e-04] [-8.64715025e-05 -1.32419662e-04 4.32260196e-04] [ 8.64715024e-05 1.32419662e-04 4.32260197e-04] [-6.47945341e-05 1.54369363e-04 -1.45960202e-04] [ 6.47945338e-05 -1.54369363e-04 -1.45960202e-04] [ 8.64715023e-05 1.32419661e-04 -4.32260197e-04] [-8.64715023e-05 -1.32419662e-04 -4.32260197e-04] [-6.47945341e-05 1.54369363e-04 1.45960202e-04] [ 6.47945338e-05 -1.54369363e-04 1.45960202e-04] [-8.64715022e-05 -1.32419662e-04 4.32260197e-04] [ 8.64715021e-05 1.32419661e-04 4.32260197e-04] [ 7.97695243e-14 6.41847686e-13 1.47382107e-13] [ 1.31535494e-12 2.21501785e-13 6.74081649e-13] [-2.80131968e-04 2.23333482e-04 2.23264253e-04] [ 2.80131969e-04 -2.23333481e-04 2.23264254e-04] [-2.80131968e-04 2.23333481e-04 -2.23264253e-04] [ 2.80131970e-04 -2.23333480e-04 -2.23264255e-04] [ 1.40874868e-04 -2.79843516e-04 -5.47023565e-05] [ 1.40874868e-04 -2.79843516e-04 5.47023563e-05] [-1.40874867e-04 2.79843516e-04 -5.47023560e-05] [-1.40874866e-04 2.79843517e-04 5.47023548e-05] [-1.98407532e-04 -3.93890735e-04 -3.40838469e-13] [-4.80243126e-04 2.84708796e-04 -1.76162904e-13] [ 4.80243125e-04 -2.84708797e-04 7.56773116e-14] [ 1.98407533e-04 3.93890735e-04 -3.54603499e-13] [-2.80131969e-04 2.23333479e-04 2.23264255e-04] [ 2.80131968e-04 -2.23333479e-04 2.23264256e-04] [-2.80131969e-04 2.23333480e-04 -2.23264255e-04] [ 2.80131969e-04 -2.23333479e-04 -2.23264256e-04] [ 1.40874868e-04 -2.79843516e-04 -5.47023566e-05] [ 1.40874869e-04 -2.79843516e-04 5.47023579e-05] [-1.40874869e-04 2.79843515e-04 -5.47023574e-05] [-1.40874869e-04 2.79843516e-04 5.47023577e-05] [-1.98407534e-04 -3.93890733e-04 6.70107471e-13] [-4.80243125e-04 2.84708796e-04 6.76272172e-13] [ 4.80243122e-04 -2.84708799e-04 6.28390389e-13] [ 1.98407534e-04 3.93890734e-04 4.29455516e-13]] Final stress: [-1.43957126e-05 1.10864718e-05 1.10813461e-05 1.69574171e-16 -6.48371829e-17 -1.03552264e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.50781885e-04 -6.02213208e-05 -6.55074953e-15] [ 4.50781884e-04 6.02213207e-05 7.48567874e-14] [-6.05377123e-05 -2.02807652e-05 1.06320334e-13] [ 6.05377123e-05 2.02807654e-05 -2.33146835e-15] [ 7.93401803e-14 1.21066351e-13 -2.08113780e-05] [ 8.59867733e-14 1.36141098e-13 2.08113773e-05] [-4.50781885e-04 -6.02213209e-05 -4.24250853e-14] [ 4.50781885e-04 6.02213210e-05 2.86943330e-14] [-6.05377121e-05 -2.02807659e-05 -2.81486775e-13] [ 6.05377120e-05 2.02807659e-05 -8.64880286e-14] [-2.79342521e-14 7.34574456e-15 -2.08113770e-05] [-2.41464834e-14 -1.02413425e-13 2.08113775e-05] [ 5.73027621e-05 -1.55716051e-04 1.09728118e-04] [-5.73027622e-05 1.55716051e-04 1.09728118e-04] [-7.34708713e-05 -1.39890941e-04 4.05806479e-04] [ 7.34708712e-05 1.39890941e-04 4.05806479e-04] [ 5.73027618e-05 -1.55716051e-04 -1.09728118e-04] [-5.73027616e-05 1.55716051e-04 -1.09728118e-04] [ 7.34708717e-05 1.39890940e-04 -4.05806479e-04] [-7.34708714e-05 -1.39890940e-04 -4.05806479e-04] [ 5.73027612e-05 -1.55716051e-04 1.09728118e-04] [-5.73027616e-05 1.55716051e-04 1.09728118e-04] [-7.34708718e-05 -1.39890940e-04 4.05806479e-04] [ 7.34708717e-05 1.39890941e-04 4.05806479e-04] [ 5.73027617e-05 -1.55716051e-04 -1.09728118e-04] [-5.73027621e-05 1.55716050e-04 -1.09728118e-04] [ 7.34708713e-05 1.39890941e-04 -4.05806479e-04] [-7.34708715e-05 -1.39890941e-04 -4.05806479e-04] [ 8.72746320e-13 1.03361764e-13 1.11297083e-12] [-2.23969281e-13 2.27321921e-13 -7.75816069e-13] [ 2.88980228e-04 -2.35988374e-04 -2.36070369e-04] [-2.88980229e-04 2.35988374e-04 -2.36070369e-04] [ 2.88980228e-04 -2.35988376e-04 2.36070368e-04] [-2.88980229e-04 2.35988377e-04 2.36070367e-04] [-7.49860817e-05 2.89263151e-04 -2.83353854e-05] [-7.49860817e-05 2.89263151e-04 2.83353858e-05] [ 7.49860822e-05 -2.89263150e-04 -2.83353849e-05] [ 7.49860822e-05 -2.89263150e-04 2.83353852e-05] [ 2.55968185e-04 3.02657155e-04 -3.97237798e-13] [ 4.05884692e-04 -3.59108721e-04 -4.27066368e-13] [-4.05884692e-04 3.59108721e-04 2.10630124e-14] [-2.55968188e-04 -3.02657152e-04 -2.58961255e-13] [ 2.88980228e-04 -2.35988375e-04 -2.36070368e-04] [-2.88980227e-04 2.35988374e-04 -2.36070369e-04] [ 2.88980228e-04 -2.35988376e-04 2.36070368e-04] [-2.88980228e-04 2.35988375e-04 2.36070369e-04] [-7.49860827e-05 2.89263151e-04 -2.83353853e-05] [-7.49860808e-05 2.89263151e-04 2.83353868e-05] [ 7.49860841e-05 -2.89263152e-04 -2.83353836e-05] [ 7.49860822e-05 -2.89263151e-04 2.83353851e-05] [ 2.55968187e-04 3.02657152e-04 8.07691354e-13] [ 4.05884692e-04 -3.59108721e-04 4.82739350e-13] [-4.05884693e-04 3.59108720e-04 5.39048396e-13] [-2.55968187e-04 -3.02657153e-04 4.98435928e-13]] Final stress: [ 1.40021354e-05 -1.09457932e-05 -1.09504221e-05 -3.34176426e-16 -1.66256929e-18 9.99317575e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.49740847e-04 6.29357786e-05 -1.56884488e-13] [ 4.49740848e-04 -6.29357786e-05 5.91193761e-15] [ 6.32538248e-05 -1.93014634e-05 -1.17917828e-15] [-6.32538246e-05 1.93014634e-05 1.42885703e-13] [-1.76039738e-14 2.70316755e-13 -1.98316227e-05] [-1.91624494e-13 7.31914529e-14 1.98316215e-05] [-4.49740849e-04 6.29357787e-05 1.68213296e-13] [ 4.49740848e-04 -6.29357789e-05 5.55216913e-14] [ 6.32538246e-05 -1.93014635e-05 9.22786477e-14] [-6.32538245e-05 1.93014630e-05 -3.58697745e-15] [-2.43403388e-14 -2.59360847e-13 -1.98316213e-05] [ 8.11169708e-14 6.58674035e-14 1.98316227e-05] [ 7.25942656e-05 -1.40448062e-04 -4.03903430e-04] [-7.25942659e-05 1.40448061e-04 -4.03903429e-04] [-5.74238984e-05 -1.55270160e-04 -1.07715331e-04] [ 5.74238984e-05 1.55270161e-04 -1.07715330e-04] [ 7.25942651e-05 -1.40448062e-04 4.03903430e-04] [-7.25942649e-05 1.40448062e-04 4.03903429e-04] [ 5.74238987e-05 1.55270160e-04 1.07715330e-04] [-5.74238989e-05 -1.55270160e-04 1.07715330e-04] [ 7.25942654e-05 -1.40448062e-04 -4.03903430e-04] [-7.25942654e-05 1.40448062e-04 -4.03903430e-04] [-5.74238987e-05 -1.55270160e-04 -1.07715331e-04] [ 5.74238991e-05 1.55270160e-04 -1.07715330e-04] [ 7.25942660e-05 -1.40448062e-04 4.03903429e-04] [-7.25942659e-05 1.40448062e-04 4.03903430e-04] [ 5.74238985e-05 1.55270160e-04 1.07715330e-04] [-5.74238982e-05 -1.55270161e-04 1.07715330e-04] [-4.18748369e-13 2.54685162e-13 1.28833055e-12] [ 5.93002644e-13 2.85020664e-13 -1.23785956e-12] [-2.89057833e-04 -2.36623009e-04 -2.36705879e-04] [ 2.89057834e-04 2.36623009e-04 -2.36705879e-04] [-2.89057833e-04 -2.36623011e-04 2.36705877e-04] [ 2.89057833e-04 2.36623010e-04 2.36705878e-04] [-7.12937303e-05 -2.89341295e-04 -3.26882853e-05] [-7.12937339e-05 -2.89341294e-04 3.26882826e-05] [ 7.12937310e-05 2.89341294e-04 -3.26882845e-05] [ 7.12937331e-05 2.89341295e-04 3.26882832e-05] [-4.02100704e-04 -3.63366278e-04 -5.34239319e-13] [-2.59567733e-04 2.98209488e-04 -1.28341782e-13] [ 2.59567733e-04 -2.98209488e-04 -9.68813571e-13] [ 4.02100707e-04 3.63366275e-04 -1.55163209e-12] [-2.89057833e-04 -2.36623011e-04 -2.36705878e-04] [ 2.89057833e-04 2.36623011e-04 -2.36705877e-04] [-2.89057834e-04 -2.36623008e-04 2.36705881e-04] [ 2.89057832e-04 2.36623010e-04 2.36705878e-04] [-7.12937329e-05 -2.89341294e-04 -3.26882829e-05] [-7.12937320e-05 -2.89341295e-04 3.26882838e-05] [ 7.12937320e-05 2.89341295e-04 -3.26882837e-05] [ 7.12937311e-05 2.89341295e-04 3.26882847e-05] [-4.02100706e-04 -3.63366276e-04 6.06127345e-13] [-2.59567733e-04 2.98209488e-04 1.26818809e-12] [ 2.59567734e-04 -2.98209488e-04 9.72873081e-13] [ 4.02100706e-04 3.63366276e-04 1.75591486e-12]] Final stress: [ 1.39958147e-05 -1.09276302e-05 -1.09322469e-05 -1.81220052e-16 -1.99508314e-17 -9.96491121e-06] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.47877269e-03 -3.54241376e-13 2.85442676e-13] [-5.47877269e-03 1.34883771e-12 2.20540253e-12] [ 1.54738266e-12 -1.98948796e-02 2.58659131e-12] [ 1.16434640e-12 1.98948796e-02 2.20490293e-12] [ 2.21234055e-12 4.44543274e-13 5.47877268e-03] [ 1.82343030e-12 -1.51734181e-12 -5.47877269e-03] [ 5.47877268e-03 -2.25416083e-12 -6.02048796e-13] [-5.47877268e-03 -3.31080649e-14 -1.90225998e-13] [-1.69607687e-12 -1.98948796e-02 -1.10508563e-12] [ 1.73531328e-13 1.98948796e-02 -1.78113191e-12] [-5.31706623e-13 -1.94579327e-12 5.47877268e-03] [ 7.77404616e-13 2.04043251e-13 -5.47877268e-03] [-1.37573300e-02 6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 -6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 6.34566580e-03 1.37573300e-02] [-1.37573300e-02 -6.34566580e-03 1.37573300e-02] [-1.37573300e-02 6.34566580e-03 1.37573300e-02] [ 1.37573300e-02 -6.34566580e-03 1.37573300e-02] [-1.37573300e-02 -6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 6.34566580e-03 -1.37573300e-02] [-1.37573300e-02 6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 -6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 6.34566580e-03 1.37573300e-02] [-1.37573300e-02 -6.34566580e-03 1.37573300e-02] [-1.37573300e-02 6.34566580e-03 1.37573300e-02] [ 1.37573300e-02 -6.34566580e-03 1.37573300e-02] [-1.37573300e-02 -6.34566580e-03 -1.37573300e-02] [ 1.37573300e-02 6.34566580e-03 -1.37573300e-02] [-1.08163478e-13 -1.78609905e-12 -5.38735723e-13] [-1.35973047e-12 8.56464699e-13 -6.90405399e-13] [ 3.10595993e-12 -1.11917467e-02 1.99926704e-03] [ 3.65265457e-12 1.11917467e-02 1.99926703e-03] [ 2.59931313e-12 -1.11917467e-02 -1.99926703e-03] [ 3.59148941e-12 1.11917467e-02 -1.99926703e-03] [-2.76415078e-02 -1.45616852e-12 -2.76415078e-02] [-2.76415078e-02 -1.49873863e-12 2.76415078e-02] [ 2.76415078e-02 -1.69716498e-12 -2.76415078e-02] [ 2.76415078e-02 -2.58528268e-12 2.76415078e-02] [ 1.99926704e-03 -1.11917467e-02 8.85957974e-13] [-1.99926704e-03 -1.11917467e-02 -2.65626063e-13] [ 1.99926704e-03 1.11917467e-02 2.65372620e-12] [-1.99926704e-03 1.11917467e-02 2.95414626e-12] [ 5.96940032e-14 -1.11917467e-02 1.99926704e-03] [-3.07877725e-12 1.11917467e-02 1.99926704e-03] [-8.80131037e-13 -1.11917467e-02 -1.99926704e-03] [-2.31691662e-12 1.11917467e-02 -1.99926704e-03] [-2.76415078e-02 8.72326582e-13 -2.76415078e-02] [-2.76415078e-02 1.96620736e-12 2.76415078e-02] [ 2.76415078e-02 8.41244175e-13 -2.76415078e-02] [ 2.76415078e-02 8.70640365e-13 2.76415078e-02] [ 1.99926704e-03 -1.11917467e-02 -8.48470092e-13] [-1.99926704e-03 -1.11917467e-02 -1.75032588e-12] [ 1.99926704e-03 1.11917467e-02 6.48542635e-15] [-1.99926705e-03 1.11917467e-02 -1.47651466e-12]] Final stress: [-4.86214084e-05 1.07705606e-03 -4.86214084e-05 7.54824030e-16 4.05676351e-16 -5.93384794e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.98322817e-04 -2.04386421e-13 -1.31061394e-13] [ 4.98322815e-04 2.41529019e-13 -3.27932126e-13] [-1.49583904e-13 3.00160505e-04 8.35538236e-14] [-1.31089584e-13 -3.00160506e-04 9.13158438e-15] [ 3.14572153e-13 -5.67519122e-14 3.00160505e-04] [ 4.50806059e-13 -1.83381088e-13 -3.00160506e-04] [-4.98322816e-04 2.75105459e-13 1.48135659e-13] [ 4.98322817e-04 -2.45178877e-13 -8.99911627e-14] [-1.06174618e-13 3.00160505e-04 1.44107326e-13] [-2.71991631e-13 -3.00160505e-04 -9.85979697e-15] [-3.38323987e-13 4.07796092e-14 3.00160506e-04] [-4.08839629e-14 2.78118821e-13 -3.00160506e-04] [ 2.95272521e-04 8.00017343e-05 8.00017345e-05] [-2.95272521e-04 -8.00017340e-05 8.00017336e-05] [-2.95272521e-04 8.00017336e-05 -8.00017334e-05] [ 2.95272521e-04 -8.00017342e-05 -8.00017342e-05] [ 2.95272521e-04 8.00017340e-05 -8.00017346e-05] [-2.95272521e-04 -8.00017336e-05 -8.00017336e-05] [ 2.95272521e-04 -8.00017344e-05 8.00017344e-05] [-2.95272521e-04 8.00017338e-05 8.00017337e-05] [ 2.95272520e-04 8.00017328e-05 8.00017335e-05] [-2.95272521e-04 -8.00017342e-05 8.00017341e-05] [-2.95272522e-04 8.00017351e-05 -8.00017338e-05] [ 2.95272521e-04 -8.00017335e-05 -8.00017336e-05] [ 2.95272521e-04 8.00017329e-05 -8.00017337e-05] [-2.95272522e-04 -8.00017346e-05 -8.00017339e-05] [ 2.95272520e-04 -8.00017332e-05 8.00017336e-05] [-2.95272521e-04 8.00017350e-05 8.00017340e-05] [ 3.09605119e-12 4.59077221e-14 1.28874689e-12] [-1.22825925e-12 2.55173356e-13 -3.41240853e-13] [-1.04283249e-12 -1.03489515e-04 -1.03489516e-04] [-6.07090767e-13 1.03489515e-04 -1.03489516e-04] [ 1.85781945e-13 -1.03489513e-04 1.03489518e-04] [ 4.23912641e-13 1.03489514e-04 1.03489517e-04] [-9.94944701e-06 -3.48721052e-13 6.92278224e-06] [-9.94944741e-06 -5.86926341e-14 -6.92278223e-06] [ 9.94944610e-06 -7.30809510e-13 6.92278117e-06] [ 9.94944736e-06 9.66084851e-14 -6.92278228e-06] [-9.94944381e-06 6.92277955e-06 8.59645688e-13] [ 9.94944260e-06 6.92277634e-06 -7.62535868e-13] [-9.94944625e-06 -6.92278164e-06 -6.68302219e-14] [ 9.94944556e-06 -6.92277978e-06 -6.94239805e-13] [ 3.99359365e-13 -1.03489516e-04 -1.03489515e-04] [ 1.03584936e-12 1.03489518e-04 -1.03489513e-04] [ 1.17946972e-12 -1.03489515e-04 1.03489517e-04] [ 9.27475978e-13 1.03489518e-04 1.03489513e-04] [-9.94944405e-06 7.15257172e-13 6.92277880e-06] [-9.94944418e-06 1.50607456e-12 -6.92277873e-06] [ 9.94944378e-06 3.60407884e-13 6.92277868e-06] [ 9.94944639e-06 5.07551032e-13 -6.92278101e-06] [-9.94944654e-06 6.92278115e-06 1.70337809e-13] [ 9.94944661e-06 6.92278170e-06 -1.27323956e-13] [-9.94944764e-06 -6.92278207e-06 -5.68717640e-14] [ 9.94944774e-06 -6.92278234e-06 -2.56558230e-13]] Final stress: [2.93041007e-05 2.34106493e-06 2.34106493e-06 1.79544941e-16 8.97724707e-17 4.57174619e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 8.29096332e-05 1.19742757e-13 3.01095954e-14] [-8.29096335e-05 6.75848266e-14 1.06664677e-13] [-2.49127975e-14 -4.95266595e-04 3.42425741e-14] [-1.07025500e-13 4.95266596e-04 5.99520433e-15] [ 6.81186878e-14 2.23597182e-14 -4.95266596e-04] [ 5.74817971e-14 4.97657471e-14 4.95266595e-04] [ 8.29096327e-05 2.92284426e-13 -2.54302083e-14] [-8.29096336e-05 -6.91963847e-14 -7.94031161e-14] [-1.16471503e-13 -4.95266595e-04 7.67821608e-14] [-5.42166138e-14 4.95266596e-04 7.79873715e-14] [-3.84288955e-14 1.10670565e-13 -4.95266596e-04] [ 1.09778506e-13 -3.05793220e-14 4.95266596e-04] [-2.82808696e-04 -5.40194576e-05 -5.40194575e-05] [ 2.82808696e-04 5.40194573e-05 -5.40194574e-05] [ 2.82808696e-04 -5.40194574e-05 5.40194574e-05] [-2.82808696e-04 5.40194577e-05 5.40194577e-05] [-2.82808696e-04 -5.40194577e-05 5.40194574e-05] [ 2.82808696e-04 5.40194575e-05 5.40194577e-05] [-2.82808696e-04 5.40194575e-05 -5.40194574e-05] [ 2.82808696e-04 -5.40194573e-05 -5.40194574e-05] [-2.82808696e-04 -5.40194578e-05 -5.40194577e-05] [ 2.82808696e-04 5.40194576e-05 -5.40194578e-05] [ 2.82808696e-04 -5.40194572e-05 5.40194574e-05] [-2.82808696e-04 5.40194575e-05 5.40194574e-05] [-2.82808696e-04 -5.40194577e-05 5.40194575e-05] [ 2.82808696e-04 5.40194575e-05 5.40194575e-05] [-2.82808696e-04 5.40194578e-05 -5.40194578e-05] [ 2.82808696e-04 -5.40194574e-05 -5.40194577e-05] [ 6.85673740e-13 -1.32421851e-13 5.93081140e-13] [ 7.70968359e-13 -2.03444635e-13 -9.48874737e-14] [-1.30895295e-13 5.50549546e-05 5.50549569e-05] [ 4.53642332e-13 -5.50549547e-05 5.50549572e-05] [-7.06483483e-14 5.50549550e-05 -5.50549565e-05] [ 1.07456752e-12 -5.50549547e-05 -5.50549569e-05] [-2.41185951e-05 8.44879722e-14 -1.70740328e-04] [-2.41185964e-05 3.55849031e-13 1.70740327e-04] [ 2.41185951e-05 5.31744787e-14 -1.70740329e-04] [ 2.41185973e-05 -1.59917218e-13 1.70740326e-04] [-2.41185984e-05 -1.70740325e-04 6.25055563e-14] [ 2.41185975e-05 -1.70740326e-04 -3.82575915e-13] [-2.41185981e-05 1.70740325e-04 3.79540149e-13] [ 2.41185973e-05 1.70740326e-04 -2.31394764e-14] [ 2.29343454e-14 5.50549558e-05 5.50549553e-05] [ 2.21372833e-13 -5.50549559e-05 5.50549552e-05] [ 1.75055716e-13 5.50549570e-05 -5.50549541e-05] [ 4.62625164e-13 -5.50549577e-05 -5.50549539e-05] [-2.41185974e-05 -4.90403770e-13 -1.70740326e-04] [-2.41185977e-05 3.29202811e-14 1.70740326e-04] [ 2.41185977e-05 -3.57405078e-14 -1.70740326e-04] [ 2.41185988e-05 5.99784979e-14 1.70740325e-04] [-2.41185965e-05 -1.70740327e-04 7.92174120e-13] [ 2.41185953e-05 -1.70740328e-04 3.70341927e-13] [-2.41185961e-05 1.70740327e-04 4.45566781e-13] [ 2.41185959e-05 1.70740328e-04 3.80192839e-13]] Final stress: [-2.71733475e-05 -7.11492859e-07 -7.11492859e-07 1.51297328e-16 -1.74573840e-16 4.73843279e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.31756831e-04 1.39431001e-13 1.53275830e-13] [ 2.31756831e-04 1.04971587e-13 1.65423231e-13] [-5.51351499e-14 3.54448810e-04 -2.51187809e-05] [ 2.55351296e-15 -3.54448809e-04 2.51187809e-05] [-5.75585586e-14 -2.49573436e-05 -2.31094339e-04] [ 2.18547402e-13 2.49573436e-05 2.31094337e-04] [-2.31756832e-04 1.32099193e-14 -2.53047838e-13] [ 2.31756831e-04 -9.87365571e-14 -1.66892232e-13] [-1.13623520e-13 3.54448809e-04 -2.51187815e-05] [ 1.12075280e-13 -3.54448809e-04 2.51187813e-05] [-2.25821965e-14 -2.49573434e-05 -2.31094338e-04] [-3.22766987e-14 2.49573435e-05 2.31094339e-04] [ 3.59633949e-04 -1.18921620e-04 6.02914754e-05] [ 3.99249179e-05 -8.04853189e-05 2.60066338e-04] [ 3.99249181e-05 8.04853184e-05 -2.60066338e-04] [ 3.59633949e-04 1.18921621e-04 -6.02914745e-05] [-3.99249185e-05 8.04853183e-05 -2.60066337e-04] [-3.59633949e-04 1.18921620e-04 -6.02914745e-05] [-3.99249182e-05 -8.04853185e-05 2.60066338e-04] [-3.59633949e-04 -1.18921620e-04 6.02914758e-05] [ 3.59633949e-04 -1.18921621e-04 6.02914750e-05] [ 3.99249183e-05 -8.04853186e-05 2.60066337e-04] [ 3.99249179e-05 8.04853190e-05 -2.60066337e-04] [ 3.59633949e-04 1.18921620e-04 -6.02914750e-05] [-3.99249186e-05 8.04853189e-05 -2.60066337e-04] [-3.59633949e-04 1.18921620e-04 -6.02914755e-05] [-3.99249189e-05 -8.04853185e-05 2.60066337e-04] [-3.59633949e-04 -1.18921621e-04 6.02914752e-05] [ 1.21067045e-12 -1.39888101e-13 9.04304409e-13] [ 6.86299975e-13 -7.13376995e-13 -7.43397504e-13] [-1.36113343e-13 1.51055631e-04 4.66950051e-04] [ 1.12982193e-12 2.91547675e-04 2.34994023e-05] [ 1.68837166e-13 -2.91547677e-04 -2.34994039e-05] [-3.75966619e-14 -1.51055626e-04 -4.66950055e-04] [ 2.60635512e-04 5.25227660e-04 2.60712276e-04] [ 2.60635510e-04 -5.25227659e-04 -2.60712279e-04] [-2.60635512e-04 5.25227659e-04 2.60712277e-04] [-2.60635508e-04 -5.25227660e-04 -2.60712280e-04] [ 2.45133503e-04 -7.02607332e-05 5.25054879e-04] [-2.45133504e-04 -7.02607341e-05 5.25054879e-04] [ 2.45133502e-04 7.02607328e-05 -5.25054882e-04] [-2.45133503e-04 7.02607341e-05 -5.25054882e-04] [ 9.46751358e-14 1.51055625e-04 4.66950055e-04] [-9.33892720e-14 2.91547681e-04 2.34994074e-05] [ 3.14805473e-13 -2.91547677e-04 -2.34994043e-05] [-2.44912163e-13 -1.51055628e-04 -4.66950054e-04] [ 2.60635511e-04 5.25227658e-04 2.60712276e-04] [ 2.60635514e-04 -5.25227659e-04 -2.60712274e-04] [-2.60635510e-04 5.25227658e-04 2.60712277e-04] [-2.60635514e-04 -5.25227658e-04 -2.60712274e-04] [ 2.45133501e-04 -7.02607310e-05 5.25054883e-04] [-2.45133502e-04 -7.02607327e-05 5.25054882e-04] [ 2.45133500e-04 7.02607309e-05 -5.25054880e-04] [-2.45133500e-04 7.02607312e-05 -5.25054880e-04]] Final stress: [ 9.79392028e-06 -1.46034073e-05 9.79779794e-06 1.04925297e-05 -3.12548471e-16 -2.02824008e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.77541725e-05 3.84059104e-14 -1.39142170e-14] [-1.77541732e-05 1.20736754e-14 2.77333712e-13] [ 1.42850141e-14 4.44686919e-04 8.36496216e-05] [ 1.85240712e-13 -4.44686920e-04 -8.36496216e-05] [ 2.82152773e-15 8.32974290e-05 1.82815796e-05] [-4.19664303e-14 -8.32974290e-05 -1.82815794e-05] [ 1.77541727e-05 -1.47637111e-13 6.27662159e-14] [-1.77541730e-05 2.09907178e-13 -2.57059937e-14] [ 3.32381692e-14 4.44686919e-04 8.36496215e-05] [-2.52180221e-13 -4.44686919e-04 -8.36496214e-05] [ 9.65811632e-14 8.32974290e-05 1.82815800e-05] [ 2.27049716e-13 -8.32974291e-05 -1.82815794e-05] [-1.02165359e-04 -6.82853172e-05 1.43921042e-04] [-3.90513198e-04 6.69354439e-05 1.44881287e-04] [-3.90513198e-04 -6.69354440e-05 -1.44881287e-04] [-1.02165359e-04 6.82853174e-05 -1.43921041e-04] [ 3.90513197e-04 -6.69354443e-05 -1.44881287e-04] [ 1.02165359e-04 6.82853173e-05 -1.43921041e-04] [ 3.90513197e-04 6.69354439e-05 1.44881287e-04] [ 1.02165359e-04 -6.82853169e-05 1.43921042e-04] [-1.02165359e-04 -6.82853171e-05 1.43921041e-04] [-3.90513198e-04 6.69354438e-05 1.44881287e-04] [-3.90513198e-04 -6.69354440e-05 -1.44881287e-04] [-1.02165359e-04 6.82853172e-05 -1.43921041e-04] [ 3.90513197e-04 -6.69354438e-05 -1.44881287e-04] [ 1.02165359e-04 6.82853170e-05 -1.43921041e-04] [ 3.90513197e-04 6.69354440e-05 1.44881287e-04] [ 1.02165359e-04 -6.82853172e-05 1.43921042e-04] [ 9.36944966e-13 2.68784994e-13 1.16628929e-13] [ 5.33611783e-13 -7.65244177e-13 -6.28381288e-13] [ 4.94382313e-13 -2.82954305e-04 -2.93716251e-04] [-1.61122851e-13 -3.92711582e-04 3.82029192e-04] [ 8.65118741e-13 3.92711582e-04 -3.82029192e-04] [-2.00733527e-13 2.82954306e-04 2.93716250e-04] [ 2.36732910e-04 -2.80460502e-04 2.36822245e-04] [ 2.36732910e-04 2.80460502e-04 -2.36822245e-04] [-2.36732909e-04 -2.80460501e-04 2.36822246e-04] [-2.36732908e-04 2.80460503e-04 -2.36822247e-04] [ 4.40385873e-05 5.48494880e-05 -2.80160020e-04] [-4.40385879e-05 5.48494875e-05 -2.80160020e-04] [ 4.40385879e-05 -5.48494874e-05 2.80160019e-04] [-4.40385889e-05 -5.48494864e-05 2.80160019e-04] [ 7.75664255e-14 -2.82954306e-04 -2.93716250e-04] [ 1.59278406e-13 -3.92711583e-04 3.82029191e-04] [-3.96445030e-14 3.92711582e-04 -3.82029192e-04] [ 1.79405102e-14 2.82954305e-04 2.93716251e-04] [ 2.36732908e-04 -2.80460502e-04 2.36822246e-04] [ 2.36732910e-04 2.80460502e-04 -2.36822245e-04] [-2.36732908e-04 -2.80460502e-04 2.36822247e-04] [-2.36732909e-04 2.80460502e-04 -2.36822246e-04] [ 4.40385884e-05 5.48494875e-05 -2.80160019e-04] [-4.40385885e-05 5.48494868e-05 -2.80160019e-04] [ 4.40385869e-05 -5.48494889e-05 2.80160020e-04] [-4.40385890e-05 -5.48494863e-05 2.80160020e-04]] Final stress: [ 1.06912259e-05 -1.42274685e-05 1.06960808e-05 -9.73103196e-06 -2.04486500e-16 -2.85948601e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.63853338e-05 -7.61222682e-14 -5.77701949e-14] [ 1.63853338e-05 -2.06223927e-14 -8.99280650e-14] [-1.40268439e-13 -4.45952304e-04 -7.27682950e-05] [ 1.42108547e-13 4.45952304e-04 7.27682948e-05] [ 5.72046750e-14 -7.30923413e-05 -1.58568462e-05] [-1.76886283e-13 7.30923409e-05 1.58568463e-05] [-1.63853342e-05 8.10657964e-14 1.11529813e-13] [ 1.63853338e-05 6.51150141e-14 2.60572765e-14] [ 1.24485491e-13 -4.45952304e-04 -7.27682948e-05] [-3.56381591e-14 4.45952304e-04 7.27682949e-05] [ 2.26793410e-14 -7.30923413e-05 -1.58568471e-05] [ 1.27509982e-13 7.30923412e-05 1.58568455e-05] [ 1.00446496e-04 5.78945604e-05 -1.53613639e-04] [ 3.97004162e-04 -6.93959933e-05 -1.42479567e-04] [ 3.97004162e-04 6.93959938e-05 1.42479567e-04] [ 1.00446496e-04 -5.78945611e-05 1.53613639e-04] [-3.97004162e-04 6.93959936e-05 1.42479567e-04] [-1.00446497e-04 -5.78945610e-05 1.53613638e-04] [-3.97004163e-04 -6.93959931e-05 -1.42479567e-04] [-1.00446496e-04 5.78945606e-05 -1.53613639e-04] [ 1.00446497e-04 5.78945612e-05 -1.53613639e-04] [ 3.97004162e-04 -6.93959933e-05 -1.42479567e-04] [ 3.97004162e-04 6.93959934e-05 1.42479567e-04] [ 1.00446496e-04 -5.78945605e-05 1.53613639e-04] [-3.97004162e-04 6.93959934e-05 1.42479567e-04] [-1.00446497e-04 -5.78945606e-05 1.53613639e-04] [-3.97004162e-04 -6.93959933e-05 -1.42479567e-04] [-1.00446497e-04 5.78945608e-05 -1.53613638e-04] [ 5.31241717e-14 -1.47742929e-13 -2.07056594e-13] [ 4.90819191e-13 2.93093747e-14 1.59374575e-12] [ 4.32986980e-15 2.73058858e-04 2.81751879e-04] [ 1.09520032e-13 3.87990834e-04 -3.79184176e-04] [ 7.16213547e-13 -3.87990833e-04 3.79184177e-04] [ 4.08138801e-13 -2.73058859e-04 -2.81751879e-04] [-2.39021157e-04 2.89243347e-04 -2.38935088e-04] [-2.39021156e-04 -2.89243347e-04 2.38935089e-04] [ 2.39021157e-04 2.89243347e-04 -2.38935088e-04] [ 2.39021157e-04 -2.89243347e-04 2.38935088e-04] [-4.88270997e-05 -5.74911107e-05 2.89528697e-04] [ 4.88270998e-05 -5.74911100e-05 2.89528697e-04] [-4.88270986e-05 5.74911111e-05 -2.89528696e-04] [ 4.88271001e-05 5.74911095e-05 -2.89528696e-04] [-3.81285281e-13 2.73058856e-04 2.81751882e-04] [-2.61592397e-13 3.87990835e-04 -3.79184175e-04] [-4.11870191e-13 -3.87990836e-04 3.79184175e-04] [-1.90929304e-13 -2.73058855e-04 -2.81751882e-04] [-2.39021155e-04 2.89243348e-04 -2.38935090e-04] [-2.39021155e-04 -2.89243347e-04 2.38935090e-04] [ 2.39021153e-04 2.89243347e-04 -2.38935092e-04] [ 2.39021155e-04 -2.89243348e-04 2.38935091e-04] [-4.88271022e-05 -5.74911076e-05 2.89528696e-04] [ 4.88271020e-05 -5.74911080e-05 2.89528696e-04] [-4.88271021e-05 5.74911077e-05 -2.89528696e-04] [ 4.88271020e-05 5.74911078e-05 -2.89528696e-04]] Final stress: [-1.08658466e-05 1.39707578e-05 -1.08612731e-05 9.86244863e-06 -8.31284643e-18 -1.34668112e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.34476989e-05 3.80646903e-13 -2.99291841e-14] [-2.34476985e-05 -2.24542607e-14 2.38975506e-14] [-1.57829912e-13 -4.16764747e-04 1.22918556e-04] [ 1.96787031e-13 4.16764747e-04 -1.22918556e-04] [-2.65111284e-13 1.23262493e-04 2.39777021e-05] [ 3.37785355e-14 -1.23262493e-04 -2.39777024e-05] [ 2.34476993e-05 -7.95982204e-14 -9.00326958e-14] [-2.34476990e-05 1.41980178e-13 -2.13037478e-14] [ 2.48826567e-13 -4.16764747e-04 1.22918556e-04] [-1.08342155e-14 4.16764747e-04 -1.22918556e-04] [ 1.18828124e-13 1.23262493e-04 2.39777018e-05] [ 3.58814541e-14 -1.23262493e-04 -2.39777023e-05] [-3.56264967e-04 5.56006408e-05 -1.47180653e-04] [-5.49705143e-05 -4.86464234e-05 -1.53662259e-04] [-5.49705144e-05 4.86464241e-05 1.53662259e-04] [-3.56264967e-04 -5.56006407e-05 1.47180654e-04] [ 5.49705143e-05 4.86464237e-05 1.53662259e-04] [ 3.56264967e-04 -5.56006405e-05 1.47180654e-04] [ 5.49705140e-05 -4.86464234e-05 -1.53662259e-04] [ 3.56264967e-04 5.56006407e-05 -1.47180653e-04] [-3.56264968e-04 5.56006406e-05 -1.47180653e-04] [-5.49705139e-05 -4.86464239e-05 -1.53662259e-04] [-5.49705140e-05 4.86464234e-05 1.53662259e-04] [-3.56264967e-04 -5.56006409e-05 1.47180653e-04] [ 5.49705144e-05 4.86464241e-05 1.53662259e-04] [ 3.56264967e-04 -5.56006409e-05 1.47180653e-04] [ 5.49705146e-05 -4.86464238e-05 -1.53662259e-04] [ 3.56264967e-04 5.56006402e-05 -1.47180653e-04] [-7.99416089e-13 5.20333776e-13 9.74442749e-13] [ 2.48452734e-13 -4.76124323e-13 3.84327050e-13] [ 5.37569989e-13 -2.89776792e-04 -4.74971205e-04] [-5.64942190e-13 -3.49520995e-04 1.64037911e-04] [ 4.09325351e-14 3.49520994e-04 -1.64037912e-04] [-8.86886051e-13 2.89776789e-04 4.74971207e-04] [-2.54088445e-04 -3.09729114e-04 -2.53986622e-04] [-2.54088446e-04 3.09729111e-04 2.53986621e-04] [ 2.54088444e-04 -3.09729113e-04 -2.53986622e-04] [ 2.54088445e-04 3.09729112e-04 2.53986622e-04] [-1.55580714e-04 2.98595725e-05 -3.10015103e-04] [ 1.55580714e-04 2.98595735e-05 -3.10015102e-04] [-1.55580714e-04 -2.98595733e-05 3.10015102e-04] [ 1.55580716e-04 -2.98595750e-05 3.10015102e-04] [-1.21635774e-13 -2.89776791e-04 -4.74971205e-04] [ 1.87120285e-13 -3.49520992e-04 1.64037914e-04] [-9.08287334e-13 3.49520994e-04 -1.64037912e-04] [ 4.04493279e-13 2.89776792e-04 4.74971204e-04] [-2.54088443e-04 -3.09729112e-04 -2.53986623e-04] [-2.54088444e-04 3.09729114e-04 2.53986623e-04] [ 2.54088443e-04 -3.09729112e-04 -2.53986624e-04] [ 2.54088443e-04 3.09729113e-04 2.53986624e-04] [-1.55580716e-04 2.98595747e-05 -3.10015102e-04] [ 1.55580718e-04 2.98595770e-05 -3.10015102e-04] [-1.55580715e-04 -2.98595741e-05 3.10015102e-04] [ 1.55580715e-04 -2.98595741e-05 3.10015102e-04]] Final stress: [-1.04205375e-05 1.38652320e-05 -1.04162979e-05 -9.35181795e-06 -2.14471438e-16 1.04741865e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.56287058e-05 5.06114248e-14 -1.66950365e-04] [ 4.56287066e-05 -2.16243690e-13 1.66950364e-04] [-9.08951733e-14 3.98395342e-04 1.25151625e-14] [ 3.89133170e-14 -3.98395341e-04 8.40993941e-15] [-1.66950365e-04 3.95577668e-14 -4.56287065e-05] [ 1.66950365e-04 -5.02375919e-14 4.56287063e-05] [-4.56287072e-05 6.60578363e-14 -1.66950365e-04] [ 4.56287063e-05 3.05068470e-13 1.66950365e-04] [ 5.66790538e-14 3.98395343e-04 -2.71567003e-14] [-1.79513088e-13 -3.98395342e-04 -1.00673528e-13] [-1.66950364e-04 6.64489837e-14 -4.56287065e-05] [ 1.66950365e-04 4.81443832e-14 4.56287062e-05] [ 1.52011554e-04 1.25886238e-04 1.52011554e-04] [-1.44178739e-04 2.23362193e-04 1.44178740e-04] [-1.52011554e-04 1.25886239e-04 -1.52011554e-04] [ 1.44178739e-04 2.23362193e-04 -1.44178739e-04] [ 1.44178740e-04 -2.23362194e-04 -1.44178739e-04] [-1.52011553e-04 -1.25886239e-04 -1.52011554e-04] [ 1.52011553e-04 -1.25886239e-04 1.52011554e-04] [-1.44178740e-04 -2.23362193e-04 1.44178740e-04] [ 1.52011554e-04 1.25886239e-04 1.52011554e-04] [-1.44178739e-04 2.23362194e-04 1.44178739e-04] [-1.52011554e-04 1.25886238e-04 -1.52011554e-04] [ 1.44178740e-04 2.23362193e-04 -1.44178740e-04] [ 1.44178740e-04 -2.23362193e-04 -1.44178740e-04] [-1.52011554e-04 -1.25886239e-04 -1.52011554e-04] [ 1.52011554e-04 -1.25886239e-04 1.52011554e-04] [-1.44178740e-04 -2.23362194e-04 1.44178739e-04] [-1.11041731e-12 -1.06609166e-13 1.06220588e-13] [ 7.49626923e-13 -9.29515777e-13 3.42402113e-13] [ 3.14986775e-04 -9.42379104e-05 2.23143511e-04] [ 3.14986775e-04 9.42379105e-05 2.23143512e-04] [-3.14986775e-04 -9.42379123e-05 -2.23143513e-04] [-3.14986775e-04 9.42379114e-05 -2.23143512e-04] [ 5.79264609e-04 -3.92685884e-13 5.79264604e-04] [-5.80203355e-05 -6.08081294e-13 5.80203387e-05] [ 5.80203344e-05 -3.66724012e-13 -5.80203390e-05] [-5.79264607e-04 3.59007962e-13 -5.79264606e-04] [ 2.23143509e-04 -9.42379087e-05 3.14986774e-04] [-2.23143509e-04 -9.42379086e-05 -3.14986775e-04] [ 2.23143510e-04 9.42379092e-05 3.14986773e-04] [-2.23143510e-04 9.42379088e-05 -3.14986775e-04] [ 3.14986773e-04 -9.42379096e-05 2.23143510e-04] [ 3.14986774e-04 9.42379091e-05 2.23143510e-04] [-3.14986775e-04 -9.42379076e-05 -2.23143508e-04] [-3.14986775e-04 9.42379080e-05 -2.23143508e-04] [ 5.79264605e-04 1.72976543e-13 5.79264608e-04] [-5.80203370e-05 -2.14441962e-13 5.80203361e-05] [ 5.80203387e-05 1.49010145e-13 -5.80203345e-05] [-5.79264607e-04 -3.49721120e-13 -5.79264607e-04] [ 2.23143512e-04 -9.42379110e-05 3.14986775e-04] [-2.23143512e-04 -9.42379116e-05 -3.14986775e-04] [ 2.23143512e-04 9.42379113e-05 3.14986776e-04] [-2.23143513e-04 9.42379122e-05 -3.14986774e-04]] Final stress: [ 9.97314557e-06 -1.40199006e-05 9.97314557e-06 8.47870853e-17 8.89585767e-06 -8.31245934e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.90180233e-04 -3.65159292e-16 8.47836252e-05] [ 1.90180232e-04 2.81330514e-13 -8.47836251e-05] [-2.24523958e-13 3.57929248e-04 -1.99090310e-13] [-4.00346423e-13 -3.57929248e-04 -1.07441833e-13] [ 8.47836253e-05 1.78146560e-13 -1.90180232e-04] [-8.47836248e-05 4.22439861e-14 1.90180233e-04] [-1.90180233e-04 -1.80749513e-14 8.47836252e-05] [ 1.90180232e-04 4.17747434e-14 -8.47836252e-05] [ 2.13353207e-13 3.57929249e-04 2.27816817e-13] [ 9.97101707e-14 -3.57929247e-04 -1.98954124e-13] [ 8.47836253e-05 -1.83324676e-14 -1.90180233e-04] [-8.47836255e-05 1.49003384e-13 1.90180233e-04] [ 2.26259294e-04 -2.01906852e-04 2.26259294e-04] [-8.89697547e-05 -1.53543371e-04 8.89697549e-05] [-2.26259295e-04 -2.01906852e-04 -2.26259294e-04] [ 8.89697549e-05 -1.53543371e-04 -8.89697548e-05] [ 8.89697551e-05 1.53543371e-04 -8.89697556e-05] [-2.26259294e-04 2.01906853e-04 -2.26259294e-04] [ 2.26259294e-04 2.01906852e-04 2.26259294e-04] [-8.89697557e-05 1.53543371e-04 8.89697556e-05] [ 2.26259294e-04 -2.01906853e-04 2.26259295e-04] [-8.89697552e-05 -1.53543371e-04 8.89697550e-05] [-2.26259294e-04 -2.01906853e-04 -2.26259294e-04] [ 8.89697549e-05 -1.53543371e-04 -8.89697553e-05] [ 8.89697546e-05 1.53543370e-04 -8.89697550e-05] [-2.26259294e-04 2.01906852e-04 -2.26259294e-04] [ 2.26259295e-04 2.01906853e-04 2.26259295e-04] [-8.89697550e-05 1.53543372e-04 8.89697547e-05] [-2.50355292e-14 3.42503803e-14 -1.16523458e-12] [ 5.17003541e-13 -1.92047414e-12 -1.46732717e-13] [-4.70958586e-04 -1.07384582e-04 2.75326438e-04] [-4.70958586e-04 1.07384579e-04 2.75326435e-04] [ 4.70958587e-04 -1.07384584e-04 -2.75326440e-04] [ 4.70958586e-04 1.07384582e-04 -2.75326437e-04] [ 1.96908460e-05 -2.82440737e-12 1.96908456e-05] [ 5.12152751e-04 -1.41701928e-12 -5.12152749e-04] [-5.12152750e-04 -2.14801614e-12 5.12152751e-04] [-1.96908459e-05 -9.63732566e-13 -1.96908468e-05] [ 2.75326438e-04 -1.07384581e-04 -4.70958586e-04] [-2.75326439e-04 -1.07384583e-04 4.70958588e-04] [ 2.75326436e-04 1.07384579e-04 -4.70958588e-04] [-2.75326437e-04 1.07384581e-04 4.70958587e-04] [-4.70958586e-04 -1.07384580e-04 2.75326436e-04] [-4.70958587e-04 1.07384581e-04 2.75326437e-04] [ 4.70958587e-04 -1.07384580e-04 -2.75326435e-04] [ 4.70958587e-04 1.07384584e-04 -2.75326440e-04] [ 1.96908464e-05 1.11998465e-12 1.96908467e-05] [ 5.12152751e-04 8.35031913e-13 -5.12152749e-04] [-5.12152748e-04 1.53042856e-12 5.12152752e-04] [-1.96908465e-05 8.18204879e-13 -1.96908463e-05] [ 2.75326435e-04 -1.07384580e-04 -4.70958586e-04] [-2.75326436e-04 -1.07384581e-04 4.70958586e-04] [ 2.75326438e-04 1.07384582e-04 -4.70958586e-04] [-2.75326441e-04 1.07384584e-04 4.70958587e-04]] Final stress: [ 9.70280782e-06 -1.44166325e-05 9.70280782e-06 3.50785784e-16 -9.85106075e-06 1.59599219e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.88702696e-06 1.48569091e-13 -9.56372259e-05] [ 7.88702688e-06 1.50240931e-13 9.56372259e-05] [-6.88251539e-15 -4.37384101e-04 1.09835752e-13] [-2.51187959e-14 4.37384102e-04 1.14602772e-13] [-9.56372257e-05 2.66483016e-13 -7.88702665e-06] [ 9.56372261e-05 2.34645636e-13 7.88702629e-06] [-7.88702629e-06 -1.17252128e-13 -9.56372263e-05] [ 7.88702656e-06 5.67666573e-14 9.56372257e-05] [ 1.14556368e-13 -4.37384100e-04 7.11566653e-14] [ 9.80422341e-14 4.37384102e-04 8.88606968e-14] [-9.56372261e-05 -6.10335937e-15 -7.88702673e-06] [ 9.56372259e-05 -2.00575392e-13 7.88702659e-06] [-1.49774181e-04 2.91932149e-04 -1.49774181e-04] [ 1.47156607e-04 1.71590086e-04 -1.47156608e-04] [ 1.49774181e-04 2.91932149e-04 1.49774181e-04] [-1.47156608e-04 1.71590086e-04 1.47156608e-04] [-1.47156607e-04 -1.71590085e-04 1.47156607e-04] [ 1.49774181e-04 -2.91932149e-04 1.49774182e-04] [-1.49774182e-04 -2.91932149e-04 -1.49774181e-04] [ 1.47156607e-04 -1.71590086e-04 -1.47156607e-04] [-1.49774181e-04 2.91932149e-04 -1.49774181e-04] [ 1.47156607e-04 1.71590085e-04 -1.47156607e-04] [ 1.49774181e-04 2.91932149e-04 1.49774181e-04] [-1.47156607e-04 1.71590085e-04 1.47156607e-04] [-1.47156608e-04 -1.71590086e-04 1.47156607e-04] [ 1.49774181e-04 -2.91932149e-04 1.49774181e-04] [-1.49774181e-04 -2.91932149e-04 -1.49774181e-04] [ 1.47156607e-04 -1.71590086e-04 -1.47156607e-04] [-1.63202785e-13 4.80726570e-14 3.41948692e-13] [-6.76238579e-14 -1.57099208e-12 1.68237241e-13] [ 2.89951123e-04 -2.35591285e-05 -8.82270412e-05] [ 2.89951123e-04 2.35591293e-05 -8.82270403e-05] [-2.89951123e-04 -2.35591284e-05 8.82270414e-05] [-2.89951123e-04 2.35591288e-05 8.82270411e-05] [ 8.56896196e-05 -4.94160268e-13 8.56896211e-05] [-5.74671840e-04 -4.48861434e-13 5.74671836e-04] [ 5.74671837e-04 -2.39912257e-15 -5.74671838e-04] [-8.56896189e-05 1.64826486e-13 -8.56896212e-05] [-8.82270406e-05 -2.35591285e-05 2.89951122e-04] [ 8.82270407e-05 -2.35591288e-05 -2.89951123e-04] [-8.82270412e-05 2.35591284e-05 2.89951122e-04] [ 8.82270413e-05 2.35591286e-05 -2.89951123e-04] [ 2.89951123e-04 -2.35591298e-05 -8.82270399e-05] [ 2.89951123e-04 2.35591303e-05 -8.82270393e-05] [-2.89951122e-04 -2.35591279e-05 8.82270412e-05] [-2.89951122e-04 2.35591283e-05 8.82270404e-05] [ 8.56896206e-05 -6.90846010e-14 8.56896208e-05] [-5.74671839e-04 -6.00049524e-14 5.74671837e-04] [ 5.74671838e-04 1.27169109e-13 -5.74671838e-04] [-8.56896200e-05 -2.03296147e-13 -8.56896205e-05] [-8.82270408e-05 -2.35591292e-05 2.89951123e-04] [ 8.82270421e-05 -2.35591276e-05 -2.89951123e-04] [-8.82270416e-05 2.35591281e-05 2.89951123e-04] [ 8.82270418e-05 2.35591277e-05 -2.89951123e-04]] Final stress: [-1.07008592e-05 1.39017521e-05 -1.07008592e-05 4.35593153e-16 9.61223184e-06 1.82882621e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.12752068e-04 1.15121454e-13 -3.48762502e-05] [-1.12752068e-04 1.89265270e-13 3.48762505e-05] [ 1.48010944e-13 -4.13399205e-04 1.91033821e-13] [ 3.69648756e-13 4.13399205e-04 2.88657986e-14] [-3.48762503e-05 1.98459305e-13 1.12752068e-04] [ 3.48762504e-05 2.89768209e-13 -1.12752069e-04] [ 1.12752068e-04 -1.39226304e-13 -3.48762506e-05] [-1.12752068e-04 9.72364550e-14 3.48762501e-05] [ 2.73223284e-14 -4.13399204e-04 -1.60830227e-13] [-2.90240922e-13 4.13399205e-04 -6.66990107e-14] [-3.48762501e-05 -2.05507951e-13 1.12752068e-04] [ 3.48762502e-05 -2.43706122e-13 -1.12752068e-04] [-7.79250561e-05 -2.29205575e-04 -7.79250566e-05] [ 2.34979499e-04 -3.17079292e-04 -2.34979499e-04] [ 7.79250563e-05 -2.29205576e-04 7.79250568e-05] [-2.34979499e-04 -3.17079292e-04 2.34979498e-04] [-2.34979498e-04 3.17079292e-04 2.34979499e-04] [ 7.79250567e-05 2.29205576e-04 7.79250568e-05] [-7.79250566e-05 2.29205576e-04 -7.79250566e-05] [ 2.34979498e-04 3.17079293e-04 -2.34979499e-04] [-7.79250568e-05 -2.29205576e-04 -7.79250569e-05] [ 2.34979498e-04 -3.17079292e-04 -2.34979498e-04] [ 7.79250566e-05 -2.29205576e-04 7.79250565e-05] [-2.34979498e-04 -3.17079292e-04 2.34979498e-04] [-2.34979499e-04 3.17079292e-04 2.34979499e-04] [ 7.79250563e-05 2.29205576e-04 7.79250561e-05] [-7.79250565e-05 2.29205575e-04 -7.79250562e-05] [ 2.34979498e-04 3.17079292e-04 -2.34979499e-04] [-6.76958489e-14 1.45206069e-12 -9.54791801e-14] [-4.39486988e-13 -5.75512524e-13 -2.97195020e-13] [-4.33202343e-04 -7.67756649e-05 -5.98109773e-05] [-4.33202344e-04 7.67756622e-05 -5.98109806e-05] [ 4.33202345e-04 -7.67756644e-05 5.98109785e-05] [ 4.33202343e-04 7.67756630e-05 5.98109801e-05] [-5.02812003e-04 -1.13198340e-12 -5.02812004e-04] [ 2.63463905e-05 -1.88037433e-12 -2.63463907e-05] [-2.63463907e-05 2.48906798e-13 2.63463906e-05] [ 5.02812004e-04 -6.54257898e-13 5.02812003e-04] [-5.98109790e-05 -7.67756633e-05 -4.33202344e-04] [ 5.98109806e-05 -7.67756616e-05 4.33202344e-04] [-5.98109808e-05 7.67756623e-05 -4.33202344e-04] [ 5.98109815e-05 7.67756614e-05 4.33202344e-04] [-4.33202344e-04 -7.67756622e-05 -5.98109808e-05] [-4.33202344e-04 7.67756633e-05 -5.98109790e-05] [ 4.33202343e-04 -7.67756620e-05 5.98109803e-05] [ 4.33202343e-04 7.67756626e-05 5.98109796e-05] [-5.02812005e-04 4.78136372e-13 -5.02812002e-04] [ 2.63463889e-05 8.16582479e-13 -2.63463924e-05] [-2.63463906e-05 2.42177806e-13 2.63463911e-05] [ 5.02812004e-04 1.13709953e-12 5.02812003e-04] [-5.98109806e-05 -7.67756627e-05 -4.33202343e-04] [ 5.98109817e-05 -7.67756617e-05 4.33202344e-04] [-5.98109791e-05 7.67756634e-05 -4.33202344e-04] [ 5.98109776e-05 7.67756651e-05 4.33202344e-04]] Final stress: [-1.07763169e-05 1.43795656e-05 -1.07763169e-05 1.36330681e-16 -1.10570600e-05 -2.79311640e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.93529340e-06 -1.17108622e-04 -2.30609802e-14] [-7.93529467e-06 1.17108622e-04 6.64190924e-14] [-1.17480864e-04 4.32477758e-04 1.27797512e-13] [ 1.17480864e-04 -4.32477757e-04 -2.08166817e-15] [ 1.16095935e-13 9.27938282e-14 7.41394490e-06] [-1.05693232e-13 1.77552417e-13 -7.41394606e-06] [ 7.93529402e-06 -1.17108622e-04 -1.01396323e-13] [-7.93529323e-06 1.17108622e-04 -7.91342390e-14] [-1.17480865e-04 4.32477757e-04 -5.37598427e-14] [ 1.17480865e-04 -4.32477758e-04 -2.26372794e-14] [-8.70935268e-14 -5.26570453e-15 7.41394531e-06] [-1.22137543e-13 -6.66425137e-14 -7.41394559e-06] [ 1.51936473e-04 -5.58539114e-05 3.66873238e-04] [-1.51936473e-04 5.58539119e-05 3.66873238e-04] [-1.37871811e-04 -7.03734881e-05 7.75008644e-05] [ 1.37871812e-04 7.03734880e-05 7.75008640e-05] [ 1.51936474e-04 -5.58539111e-05 -3.66873238e-04] [-1.51936474e-04 5.58539119e-05 -3.66873238e-04] [ 1.37871812e-04 7.03734877e-05 -7.75008636e-05] [-1.37871811e-04 -7.03734881e-05 -7.75008640e-05] [ 1.51936473e-04 -5.58539121e-05 3.66873238e-04] [-1.51936474e-04 5.58539119e-05 3.66873238e-04] [-1.37871812e-04 -7.03734873e-05 7.75008637e-05] [ 1.37871812e-04 7.03734879e-05 7.75008640e-05] [ 1.51936474e-04 -5.58539121e-05 -3.66873238e-04] [-1.51936474e-04 5.58539117e-05 -3.66873238e-04] [ 1.37871811e-04 7.03734881e-05 -7.75008646e-05] [-1.37871811e-04 -7.03734881e-05 -7.75008638e-05] [ 1.07847065e-12 -2.30732100e-13 1.14092069e-12] [-1.03306686e-12 3.17996849e-13 2.20570298e-13] [ 2.80003940e-04 6.31667225e-06 9.96190715e-05] [-2.80003939e-04 -6.31667094e-06 9.96190729e-05] [ 2.80003939e-04 6.31667169e-06 -9.96190720e-05] [-2.80003939e-04 -6.31667093e-06 -9.96190729e-05] [ 2.44333819e-04 2.80311067e-04 2.44233476e-04] [ 2.44333817e-04 2.80311066e-04 -2.44233478e-04] [-2.44333819e-04 -2.80311067e-04 2.44233476e-04] [-2.44333818e-04 -2.80311067e-04 -2.44233478e-04] [ 4.36799743e-04 3.43322135e-04 -7.01549929e-13] [ 2.37318860e-04 -3.30645686e-04 -6.00262895e-13] [-2.37318859e-04 3.30645687e-04 -4.16274654e-13] [-4.36799742e-04 -3.43322136e-04 -3.38373427e-13] [ 2.80003940e-04 6.31667169e-06 9.96190715e-05] [-2.80003940e-04 -6.31667061e-06 9.96190726e-05] [ 2.80003940e-04 6.31667333e-06 -9.96190703e-05] [-2.80003940e-04 -6.31667308e-06 -9.96190708e-05] [ 2.44333817e-04 2.80311066e-04 2.44233479e-04] [ 2.44333817e-04 2.80311066e-04 -2.44233479e-04] [-2.44333818e-04 -2.80311066e-04 2.44233478e-04] [-2.44333819e-04 -2.80311067e-04 -2.44233477e-04] [ 4.36799743e-04 3.43322134e-04 3.24683728e-13] [ 2.37318858e-04 -3.30645688e-04 6.31690236e-13] [-2.37318858e-04 3.30645687e-04 4.77514824e-13] [-4.36799742e-04 -3.43322135e-04 5.52583153e-13]] Final stress: [ 1.04756928e-05 -1.41261866e-05 1.04709722e-05 1.18036923e-16 1.56274236e-16 9.37882104e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.29372369e-05 6.82997341e-05 5.35392043e-14] [-2.29372372e-05 -6.82997340e-05 5.63715741e-14] [ 6.86431705e-05 4.50085681e-04 -2.75703939e-14] [-6.86431703e-05 -4.50085682e-04 3.14193116e-14] [ 8.44910079e-14 1.04122440e-13 2.24071134e-05] [ 7.57727214e-15 2.08305595e-13 -2.24071144e-05] [ 2.29372373e-05 6.82997339e-05 3.36902917e-15] [-2.29372371e-05 -6.82997341e-05 -1.90439313e-13] [ 6.86431704e-05 4.50085681e-04 1.60782170e-13] [-6.86431706e-05 -4.50085682e-04 -9.58152386e-14] [-1.28601990e-13 -1.28361965e-13 2.24071137e-05] [ 1.12953050e-13 8.93305975e-14 -2.24071140e-05] [ 1.46564430e-04 -6.73897296e-05 -1.13117962e-04] [-1.46564430e-04 6.73897295e-05 -1.13117962e-04] [-1.41759095e-04 -7.18345530e-05 -4.00978553e-04] [ 1.41759095e-04 7.18345532e-05 -4.00978553e-04] [ 1.46564430e-04 -6.73897297e-05 1.13117962e-04] [-1.46564430e-04 6.73897299e-05 1.13117962e-04] [ 1.41759095e-04 7.18345529e-05 4.00978553e-04] [-1.41759095e-04 -7.18345532e-05 4.00978553e-04] [ 1.46564429e-04 -6.73897299e-05 -1.13117962e-04] [-1.46564430e-04 6.73897297e-05 -1.13117962e-04] [-1.41759095e-04 -7.18345528e-05 -4.00978553e-04] [ 1.41759095e-04 7.18345527e-05 -4.00978553e-04] [ 1.46564430e-04 -6.73897298e-05 1.13117962e-04] [-1.46564430e-04 6.73897294e-05 1.13117962e-04] [ 1.41759095e-04 7.18345529e-05 4.00978553e-04] [-1.41759095e-04 -7.18345531e-05 4.00978553e-04] [ 4.47225590e-13 6.29246655e-13 1.33698608e-12] [-1.66306639e-13 2.99723101e-13 9.90997355e-14] [-2.80142296e-04 7.63285693e-05 1.93985015e-05] [ 2.80142294e-04 -7.63285685e-05 1.93985024e-05] [-2.80142294e-04 7.63285704e-05 -1.93985001e-05] [ 2.80142295e-04 -7.63285697e-05 -1.93985010e-05] [ 2.33469622e-04 -2.80439788e-04 2.33385238e-04] [ 2.33469622e-04 -2.80439787e-04 -2.33385238e-04] [-2.33469623e-04 2.80439787e-04 2.33385237e-04] [-2.33469623e-04 2.80439788e-04 -2.33385237e-04] [-3.18719694e-04 -2.61849648e-04 1.70385928e-12] [-3.57749299e-04 4.14571906e-04 4.56443910e-13] [ 3.57749296e-04 -4.14571908e-04 9.62709079e-13] [ 3.18719696e-04 2.61849648e-04 -7.35318056e-13] [-2.80142293e-04 7.63285706e-05 1.93985002e-05] [ 2.80142295e-04 -7.63285702e-05 1.93985009e-05] [-2.80142294e-04 7.63285713e-05 -1.93984993e-05] [ 2.80142294e-04 -7.63285684e-05 -1.93985027e-05] [ 2.33469622e-04 -2.80439788e-04 2.33385238e-04] [ 2.33469622e-04 -2.80439788e-04 -2.33385237e-04] [-2.33469623e-04 2.80439789e-04 2.33385237e-04] [-2.33469620e-04 2.80439789e-04 -2.33385240e-04] [-3.18719695e-04 -2.61849649e-04 -4.46456657e-13] [-3.57749298e-04 4.14571906e-04 -1.02250226e-14] [ 3.57749299e-04 -4.14571906e-04 -2.66408508e-13] [ 3.18719697e-04 2.61849647e-04 3.45752940e-13]] Final stress: [ 1.07937396e-05 -1.42707054e-05 1.07888209e-05 -2.49373780e-17 1.69574171e-16 -9.88723699e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.39089120e-05 -2.87492150e-05 -1.69332864e-13] [-7.39089119e-05 2.87492142e-05 -9.07052211e-14] [-2.85100358e-05 -4.16559427e-04 -4.36807708e-14] [ 2.85100358e-05 4.16559426e-04 -8.98725538e-14] [ 2.29187329e-13 -1.28854826e-13 7.33265955e-05] [ 2.02893258e-13 -1.80522264e-13 -7.33265959e-05] [ 7.39089128e-05 -2.87492145e-05 -5.04491328e-14] [-7.39089121e-05 2.87492150e-05 1.68374238e-14] [-2.85100357e-05 -4.16559428e-04 -4.90720334e-14] [ 2.85100357e-05 4.16559428e-04 3.08188445e-15] [-6.79538890e-14 1.75666072e-14 7.33265954e-05] [-3.18195990e-14 -7.43985250e-14 -7.33265956e-05] [-2.01361250e-04 6.76204653e-07 9.35138953e-05] [ 2.01361250e-04 -6.76204150e-07 9.35138953e-05] [ 1.06620806e-04 9.57339243e-05 4.02046066e-04] [-1.06620806e-04 -9.57339248e-05 4.02046066e-04] [-2.01361250e-04 6.76204542e-07 -9.35138952e-05] [ 2.01361250e-04 -6.76204332e-07 -9.35138956e-05] [-1.06620806e-04 -9.57339244e-05 -4.02046066e-04] [ 1.06620806e-04 9.57339242e-05 -4.02046066e-04] [-2.01361251e-04 6.76204598e-07 9.35138953e-05] [ 2.01361251e-04 -6.76204454e-07 9.35138953e-05] [ 1.06620806e-04 9.57339250e-05 4.02046066e-04] [-1.06620806e-04 -9.57339242e-05 4.02046066e-04] [-2.01361251e-04 6.76205006e-07 -9.35138951e-05] [ 2.01361250e-04 -6.76204607e-07 -9.35138953e-05] [-1.06620807e-04 -9.57339244e-05 -4.02046066e-04] [ 1.06620806e-04 9.57339249e-05 -4.02046066e-04] [ 5.77260462e-13 7.28028748e-14 1.44828594e-13] [-5.49471493e-13 3.56994057e-13 4.81020355e-13] [ 3.81236614e-04 -3.88847169e-05 -9.23859670e-05] [-3.81236614e-04 3.88847156e-05 -9.23859680e-05] [ 3.81236614e-04 -3.88847175e-05 9.23859666e-05] [-3.81236615e-04 3.88847162e-05 9.23859671e-05] [-2.44112587e-04 3.81001765e-04 -2.44185071e-04] [-2.44112589e-04 3.81001764e-04 2.44185069e-04] [ 2.44112587e-04 -3.81001765e-04 -2.44185071e-04] [ 2.44112589e-04 -3.81001766e-04 2.44185070e-04] [ 1.95669258e-04 2.49275489e-04 -1.05526698e-12] [ 3.80244731e-04 -3.26992868e-04 -6.42796580e-13] [-3.80244732e-04 3.26992867e-04 -3.65743894e-13] [-1.95669258e-04 -2.49275489e-04 -2.50908669e-13] [ 3.81236615e-04 -3.88847160e-05 -9.23859673e-05] [-3.81236614e-04 3.88847173e-05 -9.23859660e-05] [ 3.81236614e-04 -3.88847146e-05 9.23859681e-05] [-3.81236614e-04 3.88847149e-05 9.23859686e-05] [-2.44112589e-04 3.81001765e-04 -2.44185070e-04] [-2.44112589e-04 3.81001765e-04 2.44185070e-04] [ 2.44112590e-04 -3.81001764e-04 -2.44185069e-04] [ 2.44112589e-04 -3.81001764e-04 2.44185070e-04] [ 1.95669258e-04 2.49275489e-04 5.64475544e-13] [ 3.80244732e-04 -3.26992867e-04 6.98316069e-13] [-3.80244731e-04 3.26992869e-04 3.60888626e-13] [-1.95669259e-04 -2.49275488e-04 5.56717433e-13]] Final stress: [-1.06563090e-05 1.41969279e-05 -1.06605550e-05 -2.66011086e-17 -4.82145093e-17 1.03800777e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.66521492e-05 7.08154284e-05 2.38086460e-14] [ 1.66521487e-05 -7.08154277e-05 -1.46799239e-13] [ 7.04927735e-05 -4.46829399e-04 2.68578562e-14] [-7.04927737e-05 4.46829400e-04 1.59317004e-14] [-1.28459309e-13 3.04574074e-14 -1.71810228e-05] [-1.96426209e-13 1.09634524e-14 1.71810224e-05] [-1.66521497e-05 7.08154278e-05 -6.26720055e-14] [ 1.66521493e-05 -7.08154282e-05 7.49924483e-14] [ 7.04927738e-05 -4.46829399e-04 1.20419519e-13] [-7.04927737e-05 4.46829399e-04 -1.42811927e-13] [-4.99942969e-14 -1.68075002e-15 -1.71810238e-05] [ 6.99700714e-15 1.57599808e-13 1.71810226e-05] [-1.42009209e-04 7.01365923e-05 -3.98601311e-04] [ 1.42009209e-04 -7.01365922e-05 -3.98601311e-04] [ 1.53998048e-04 5.77848088e-05 -1.02128346e-04] [-1.53998047e-04 -5.77848084e-05 -1.02128345e-04] [-1.42009209e-04 7.01365928e-05 3.98601311e-04] [ 1.42009209e-04 -7.01365924e-05 3.98601311e-04] [-1.53998048e-04 -5.77848078e-05 1.02128345e-04] [ 1.53998048e-04 5.77848085e-05 1.02128346e-04] [-1.42009209e-04 7.01365922e-05 -3.98601311e-04] [ 1.42009209e-04 -7.01365924e-05 -3.98601310e-04] [ 1.53998048e-04 5.77848077e-05 -1.02128345e-04] [-1.53998048e-04 -5.77848081e-05 -1.02128346e-04] [-1.42009209e-04 7.01365921e-05 3.98601311e-04] [ 1.42009209e-04 -7.01365925e-05 3.98601310e-04] [-1.53998048e-04 -5.77848080e-05 1.02128346e-04] [ 1.53998048e-04 5.77848079e-05 1.02128345e-04] [-1.42941214e-14 4.91912067e-13 3.08586490e-13] [ 5.88618564e-13 -6.39608483e-13 1.32476720e-12] [-2.89487601e-04 -6.06874193e-05 -4.50911324e-05] [ 2.89487600e-04 6.06874189e-05 -4.50911332e-05] [-2.89487600e-04 -6.06874198e-05 4.50911319e-05] [ 2.89487600e-04 6.06874197e-05 4.50911324e-05] [-2.38400483e-04 -2.89202689e-04 -2.38485811e-04] [-2.38400484e-04 -2.89202687e-04 2.38485810e-04] [ 2.38400481e-04 2.89202686e-04 -2.38485813e-04] [ 2.38400483e-04 2.89202687e-04 2.38485812e-04] [-3.75522345e-04 -3.91258128e-04 6.04516437e-13] [-2.85561499e-04 2.69934510e-04 4.11634268e-13] [ 2.85561498e-04 -2.69934510e-04 -7.80516277e-13] [ 3.75522345e-04 3.91258128e-04 -4.64631805e-13] [-2.89487600e-04 -6.06874209e-05 -4.50911320e-05] [ 2.89487601e-04 6.06874204e-05 -4.50911316e-05] [-2.89487599e-04 -6.06874188e-05 4.50911341e-05] [ 2.89487601e-04 6.06874210e-05 4.50911311e-05] [-2.38400482e-04 -2.89202687e-04 -2.38485811e-04] [-2.38400482e-04 -2.89202687e-04 2.38485812e-04] [ 2.38400483e-04 2.89202687e-04 -2.38485811e-04] [ 2.38400482e-04 2.89202687e-04 2.38485812e-04] [-3.75522345e-04 -3.91258128e-04 5.74309697e-13] [-2.85561496e-04 2.69934512e-04 1.77982120e-13] [ 2.85561498e-04 -2.69934509e-04 3.60006817e-13] [ 3.75522345e-04 3.91258127e-04 5.06543592e-13]] Final stress: [-1.08766321e-05 1.39766006e-05 -1.08812155e-05 3.60777535e-16 -1.66256929e-18 -9.88616217e-06] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.52951118e-03 -2.09510447e-12 -1.64112474e-12] [ 1.52951118e-03 -2.20914953e-12 -7.75268738e-13] [-3.72236096e-13 -1.52951118e-03 -6.17761918e-13] [ 1.01058051e-13 1.52951118e-03 -8.93118912e-13] [ 3.46735444e-13 -1.23313664e-12 -1.46448243e-02] [ 1.78163040e-13 -3.63709063e-13 1.46448243e-02] [-1.52951118e-03 -1.03028523e-12 -9.00002769e-13] [ 1.52951118e-03 -3.58401243e-13 4.69673687e-13] [-4.62462100e-13 -1.52951118e-03 -2.97142010e-13] [ 5.15618364e-13 1.52951118e-03 4.07095221e-13] [ 1.47180879e-13 1.62497019e-12 -1.46448243e-02] [-8.79199925e-13 7.61072104e-13 1.46448243e-02] [-7.81024805e-03 -7.81024804e-03 3.31809329e-03] [ 7.81024804e-03 7.81024805e-03 3.31809329e-03] [ 7.81024804e-03 -7.81024804e-03 -3.31809329e-03] [-7.81024805e-03 7.81024804e-03 -3.31809329e-03] [-7.81024804e-03 -7.81024804e-03 -3.31809329e-03] [ 7.81024804e-03 7.81024805e-03 -3.31809329e-03] [-7.81024805e-03 7.81024804e-03 3.31809329e-03] [ 7.81024804e-03 -7.81024804e-03 3.31809329e-03] [-7.81024804e-03 -7.81024804e-03 3.31809329e-03] [ 7.81024805e-03 7.81024804e-03 3.31809329e-03] [ 7.81024804e-03 -7.81024804e-03 -3.31809329e-03] [-7.81024804e-03 7.81024804e-03 -3.31809329e-03] [-7.81024804e-03 -7.81024804e-03 -3.31809329e-03] [ 7.81024805e-03 7.81024804e-03 -3.31809329e-03] [-7.81024804e-03 7.81024804e-03 3.31809329e-03] [ 7.81024804e-03 -7.81024804e-03 3.31809329e-03] [ 1.18732801e-12 -2.52214916e-12 -6.95499214e-13] [-7.42171949e-13 1.00378731e-12 -8.93703438e-13] [ 1.46804791e-12 -3.13000681e-03 -5.09048647e-03] [ 8.75594736e-13 3.13000681e-03 -5.09048646e-03] [ 8.34865163e-13 -3.13000681e-03 5.09048647e-03] [-3.25257182e-13 3.13000681e-03 5.09048647e-03] [-3.13000682e-03 -1.47426515e-12 -5.09048646e-03] [-3.13000682e-03 -7.42116438e-13 5.09048646e-03] [ 3.13000682e-03 -1.50129215e-12 -5.09048646e-03] [ 3.13000682e-03 -2.38810013e-12 5.09048646e-03] [-1.69623656e-02 -1.69623656e-02 -1.13153931e-12] [ 1.69623656e-02 -1.69623656e-02 1.10901392e-12] [-1.69623656e-02 1.69623656e-02 6.88747670e-13] [ 1.69623656e-02 1.69623656e-02 6.16347251e-13] [ 2.00344082e-13 -3.13000682e-03 -5.09048646e-03] [-6.62359056e-13 3.13000682e-03 -5.09048646e-03] [-1.45918217e-12 -3.13000682e-03 5.09048646e-03] [-2.28535073e-13 3.13000682e-03 5.09048646e-03] [-3.13000681e-03 3.32769991e-13 -5.09048646e-03] [-3.13000681e-03 8.60415255e-14 5.09048647e-03] [ 3.13000681e-03 1.86376782e-12 -5.09048646e-03] [ 3.13000682e-03 5.68124107e-13 5.09048646e-03] [-1.69623656e-02 -1.69623656e-02 -1.49842611e-12] [ 1.69623656e-02 -1.69623656e-02 -1.36227383e-12] [-1.69623656e-02 1.69623656e-02 -1.22040108e-12] [ 1.69623656e-02 1.69623656e-02 -1.58752525e-12]] Final stress: [-1.92594598e-05 -1.92594598e-05 7.61842470e-04 -1.34671248e-15 -1.52793675e-15 -1.81556793e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.13522074e-04 -2.62906016e-14 -6.61129138e-14] [ 2.13522074e-04 -1.28203004e-13 -3.03174152e-13] [ 3.55037180e-14 -2.12872830e-04 -3.86426932e-05] [ 2.30010455e-13 2.12872830e-04 3.86426932e-05] [ 1.17531852e-14 -3.88266612e-05 3.59144668e-04] [ 9.03721542e-14 3.88266608e-05 -3.59144668e-04] [-2.13522076e-04 -1.11452080e-13 4.58618712e-14] [ 2.13522074e-04 6.41444363e-14 2.75255077e-13] [-5.93722120e-14 -2.12872829e-04 -3.86426926e-05] [-2.90587866e-13 2.12872830e-04 3.86426925e-05] [-6.94184293e-14 -3.88266611e-05 3.59144669e-04] [-1.71024653e-13 3.88266616e-05 -3.59144668e-04] [ 3.56369739e-04 6.92943105e-05 -1.11737660e-04] [ 3.88302467e-05 -2.48873765e-04 6.74533189e-05] [ 3.88302470e-05 2.48873765e-04 -6.74533192e-05] [ 3.56369739e-04 -6.92943105e-05 1.11737660e-04] [-3.88302466e-05 2.48873765e-04 -6.74533191e-05] [-3.56369739e-04 -6.92943106e-05 1.11737660e-04] [-3.88302464e-05 -2.48873765e-04 6.74533186e-05] [-3.56369739e-04 6.92943110e-05 -1.11737660e-04] [ 3.56369739e-04 6.92943112e-05 -1.11737661e-04] [ 3.88302464e-05 -2.48873764e-04 6.74533195e-05] [ 3.88302463e-05 2.48873765e-04 -6.74533191e-05] [ 3.56369739e-04 -6.92943105e-05 1.11737660e-04] [-3.88302465e-05 2.48873764e-04 -6.74533190e-05] [-3.56369739e-04 -6.92943106e-05 1.11737660e-04] [-3.88302465e-05 -2.48873764e-04 6.74533193e-05] [-3.56369739e-04 6.92943111e-05 -1.11737661e-04] [ 4.34541292e-13 -2.80747647e-13 -1.21541666e-13] [ 8.11169274e-13 -4.27718826e-13 -3.82041626e-14] [ 1.24322774e-12 4.74274022e-04 1.58809742e-04] [-1.46688217e-13 -1.13191314e-05 -3.03344877e-04] [ 3.24327371e-13 1.13191308e-05 3.03344877e-04] [ 9.44553463e-13 -4.74274022e-04 -1.58809743e-04] [ 2.42703018e-04 5.04708184e-04 -7.22816966e-05] [ 2.42703017e-04 -5.04708187e-04 7.22816963e-05] [-2.42703018e-04 5.04708184e-04 -7.22816970e-05] [-2.42703017e-04 -5.04708186e-04 7.22816967e-05] [ 2.60731483e-04 2.60811162e-04 5.04894055e-04] [-2.60731482e-04 2.60811163e-04 5.04894055e-04] [ 2.60731481e-04 -2.60811163e-04 -5.04894055e-04] [-2.60731480e-04 -2.60811165e-04 -5.04894055e-04] [-4.73302821e-13 4.74274020e-04 1.58809744e-04] [ 5.84688548e-15 -1.13191295e-05 -3.03344875e-04] [-3.57559468e-13 1.13191316e-05 3.03344878e-04] [-1.73891717e-13 -4.74274018e-04 -1.58809746e-04] [ 2.42703018e-04 5.04708187e-04 -7.22816969e-05] [ 2.42703018e-04 -5.04708187e-04 7.22816978e-05] [-2.42703020e-04 5.04708187e-04 -7.22816991e-05] [-2.42703020e-04 -5.04708187e-04 7.22816989e-05] [ 2.60731480e-04 2.60811165e-04 5.04894053e-04] [-2.60731480e-04 2.60811165e-04 5.04894055e-04] [ 2.60731480e-04 -2.60811164e-04 -5.04894053e-04] [-2.60731480e-04 -2.60811164e-04 -5.04894054e-04]] Final stress: [ 9.81393178e-06 9.81780423e-06 -1.45571535e-05 1.03368857e-05 2.12798959e-16 -6.64996747e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.71754972e-05 7.51404147e-14 -8.23247720e-14] [-1.71754983e-05 -9.88098492e-15 -6.91946500e-14] [-1.83672522e-14 1.77025679e-05 8.51694068e-05] [-7.76601006e-14 -1.77025686e-05 -8.51694070e-05] [ 4.85514406e-14 8.55226989e-05 4.44012572e-04] [-1.59317004e-14 -8.55226987e-05 -4.44012573e-04] [ 1.71754987e-05 -8.77674669e-14 -1.01176645e-14] [-1.71754981e-05 -2.08956116e-14 -3.07246879e-14] [-1.15792792e-16 1.77025679e-05 8.51694069e-05] [-2.49405531e-14 -1.77025679e-05 -8.51694071e-05] [-9.46677632e-14 8.55226989e-05 4.44012572e-04] [-4.19247970e-14 -8.55226989e-05 -4.44012573e-04] [-1.00798655e-04 1.43589688e-04 -6.83982189e-05] [-3.89206113e-04 -1.45271215e-04 -6.63234363e-05] [-3.89206113e-04 1.45271215e-04 6.63234361e-05] [-1.00798655e-04 -1.43589688e-04 6.83982186e-05] [ 3.89206113e-04 1.45271216e-04 6.63234360e-05] [ 1.00798655e-04 -1.43589688e-04 6.83982190e-05] [ 3.89206112e-04 -1.45271215e-04 -6.63234358e-05] [ 1.00798655e-04 1.43589688e-04 -6.83982190e-05] [-1.00798655e-04 1.43589688e-04 -6.83982192e-05] [-3.89206112e-04 -1.45271216e-04 -6.63234356e-05] [-3.89206112e-04 1.45271216e-04 6.63234362e-05] [-1.00798655e-04 -1.43589688e-04 6.83982187e-05] [ 3.89206112e-04 1.45271215e-04 6.63234362e-05] [ 1.00798655e-04 -1.43589689e-04 6.83982185e-05] [ 3.89206112e-04 -1.45271216e-04 -6.63234358e-05] [ 1.00798655e-04 1.43589688e-04 -6.83982189e-05] [ 9.03888075e-13 1.07008846e-12 2.66675571e-13] [-4.41438552e-13 6.56763630e-14 8.84107526e-13] [-4.03344025e-13 -2.90598350e-04 -2.85586360e-04] [-4.55219196e-13 -3.85056510e-04 3.89984961e-04] [-6.63216010e-13 3.85056509e-04 -3.89984962e-04] [-6.16139084e-13 2.90598349e-04 2.85586361e-04] [ 4.71110018e-05 -2.80159203e-04 5.21705745e-05] [ 4.71110026e-05 2.80159202e-04 -5.21705737e-05] [-4.71110022e-05 -2.80159203e-04 5.21705737e-05] [-4.71110036e-05 2.80159202e-04 -5.21705726e-05] [ 2.37149701e-04 2.37239652e-04 -2.80460057e-04] [-2.37149702e-04 2.37239650e-04 -2.80460057e-04] [ 2.37149700e-04 -2.37239652e-04 2.80460058e-04] [-2.37149702e-04 -2.37239650e-04 2.80460058e-04] [ 9.20612545e-13 -2.90598348e-04 -2.85586361e-04] [ 9.31860925e-13 -3.85056510e-04 3.89984963e-04] [ 8.62776430e-13 3.85056508e-04 -3.89984963e-04] [ 5.77727102e-13 2.90598350e-04 2.85586360e-04] [ 4.71110039e-05 -2.80159203e-04 5.21705720e-05] [ 4.71110033e-05 2.80159203e-04 -5.21705726e-05] [-4.71110022e-05 -2.80159202e-04 5.21705739e-05] [-4.71110017e-05 2.80159204e-04 -5.21705742e-05] [ 2.37149700e-04 2.37239651e-04 -2.80460057e-04] [-2.37149700e-04 2.37239652e-04 -2.80460057e-04] [ 2.37149701e-04 -2.37239650e-04 2.80460056e-04] [-2.37149701e-04 -2.37239651e-04 2.80460057e-04]] Final stress: [ 1.06790460e-05 1.06838931e-05 -1.42220180e-05 -9.71153435e-06 1.24686890e-16 -4.98747560e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 6.58318036e-05 6.51358308e-14 1.40494821e-13] [-6.58318041e-05 1.74582571e-13 8.62088179e-14] [-1.16372190e-13 6.63993211e-05 -6.42142049e-05] [-1.69420034e-13 -6.63993214e-05 6.42142054e-05] [-8.53874263e-14 -6.39410428e-05 -4.11833714e-04] [ 2.44609888e-13 6.39410431e-05 4.11833714e-04] [ 6.58318045e-05 -2.91711100e-14 -9.06468227e-14] [-6.58318034e-05 -1.22134507e-13 1.22166036e-13] [ 1.62456854e-14 6.63993207e-05 -6.42142053e-05] [ 4.57429233e-14 -6.63993214e-05 6.42142050e-05] [-3.12124458e-14 -6.39410435e-05 -4.11833714e-04] [-2.92130903e-13 6.39410432e-05 4.11833714e-04] [ 7.48652509e-05 -1.87812924e-04 1.28116230e-05] [ 3.82228407e-04 1.19030448e-04 8.19746458e-05] [ 3.82228407e-04 -1.19030448e-04 -8.19746454e-05] [ 7.48652506e-05 1.87812925e-04 -1.28116233e-05] [-3.82228407e-04 -1.19030448e-04 -8.19746460e-05] [-7.48652501e-05 1.87812925e-04 -1.28116233e-05] [-3.82228407e-04 1.19030448e-04 8.19746460e-05] [-7.48652507e-05 -1.87812925e-04 1.28116231e-05] [ 7.48652505e-05 -1.87812925e-04 1.28116227e-05] [ 3.82228407e-04 1.19030448e-04 8.19746458e-05] [ 3.82228407e-04 -1.19030448e-04 -8.19746462e-05] [ 7.48652510e-05 1.87812924e-04 -1.28116233e-05] [-3.82228407e-04 -1.19030448e-04 -8.19746460e-05] [-7.48652507e-05 1.87812924e-04 -1.28116235e-05] [-3.82228408e-04 1.19030448e-04 8.19746459e-05] [-7.48652505e-05 -1.87812924e-04 1.28116227e-05] [ 2.50438559e-13 4.90524288e-13 7.77738984e-13] [-1.05976035e-12 1.94284998e-13 -3.32679189e-13] [-5.32462963e-13 1.66961359e-04 2.90746630e-04] [ 2.00360561e-14 4.23457442e-04 -3.00038161e-04] [-8.66320904e-13 -4.23457443e-04 3.00038160e-04] [-1.02373839e-12 -1.66961358e-04 -2.90746630e-04] [-1.28351069e-04 3.64485480e-04 -4.66557241e-06] [-1.28351070e-04 -3.64485480e-04 4.66557211e-06] [ 1.28351068e-04 3.64485480e-04 -4.66557305e-06] [ 1.28351069e-04 -3.64485480e-04 4.66557285e-06] [-2.49622152e-04 -2.49538636e-04 3.64235824e-04] [ 2.49622152e-04 -2.49538637e-04 3.64235824e-04] [-2.49622152e-04 2.49538637e-04 -3.64235825e-04] [ 2.49622151e-04 2.49538638e-04 -3.64235824e-04] [ 5.41531230e-13 1.66961360e-04 2.90746628e-04] [ 4.09175298e-13 4.23457440e-04 -3.00038163e-04] [ 6.70893029e-13 -4.23457441e-04 3.00038163e-04] [ 2.03252346e-13 -1.66961360e-04 -2.90746628e-04] [-1.28351070e-04 3.64485480e-04 -4.66557146e-06] [-1.28351070e-04 -3.64485480e-04 4.66557123e-06] [ 1.28351072e-04 3.64485481e-04 -4.66557006e-06] [ 1.28351071e-04 -3.64485480e-04 4.66557070e-06] [-2.49622150e-04 -2.49538639e-04 3.64235825e-04] [ 2.49622151e-04 -2.49538638e-04 3.64235824e-04] [-2.49622149e-04 2.49538640e-04 -3.64235823e-04] [ 2.49622150e-04 2.49538638e-04 -3.64235823e-04]] Final stress: [-1.05177913e-05 -1.05136305e-05 1.40902323e-05 1.00001441e-05 -5.81899250e-17 3.39164134e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.34423981e-05 7.85127172e-14 -8.03454525e-14] [ 1.34423973e-05 9.66449143e-14 -3.96904731e-14] [-3.95382511e-14 -1.29153285e-05 8.15008318e-05] [-1.64285252e-13 1.29153279e-05 -8.15008315e-05] [-1.40959727e-13 8.11716258e-05 -4.42713217e-04] [-6.14508444e-14 -8.11716256e-05 4.42713216e-04] [-1.34423979e-05 1.18635570e-13 6.83264063e-14] [ 1.34423980e-05 -4.34092866e-14 5.86071364e-14] [-2.43932478e-14 -1.29153281e-05 8.15008316e-05] [ 5.17823631e-14 1.29153283e-05 -8.15008319e-05] [-7.63729358e-14 8.11716256e-05 -4.42713216e-04] [-4.86160591e-14 -8.11716259e-05 4.42713217e-04] [-3.91103554e-04 -1.44215568e-04 6.66618204e-05] [-9.42341131e-05 1.52193994e-04 5.82997511e-05] [-9.42341130e-05 -1.52193994e-04 -5.82997510e-05] [-3.91103554e-04 1.44215569e-04 -6.66618204e-05] [ 9.42341132e-05 -1.52193994e-04 -5.82997510e-05] [ 3.91103555e-04 1.44215569e-04 -6.66618204e-05] [ 9.42341135e-05 1.52193994e-04 5.82997511e-05] [ 3.91103554e-04 -1.44215568e-04 6.66618204e-05] [-3.91103555e-04 -1.44215569e-04 6.66618200e-05] [-9.42341132e-05 1.52193994e-04 5.82997511e-05] [-9.42341133e-05 -1.52193994e-04 -5.82997510e-05] [-3.91103554e-04 1.44215568e-04 -6.66618205e-05] [ 9.42341136e-05 -1.52193994e-04 -5.82997508e-05] [ 3.91103554e-04 1.44215568e-04 -6.66618207e-05] [ 9.42341133e-05 1.52193994e-04 5.82997507e-05] [ 3.91103555e-04 -1.44215569e-04 6.66618202e-05] [ 5.10119724e-13 1.11083365e-12 7.98167088e-13] [-2.11665321e-13 -2.76766839e-13 -7.42710119e-13] [-2.77666778e-13 -3.92656279e-04 -3.75971306e-04] [-3.76176520e-13 -2.67727263e-04 2.84543614e-04] [-8.35765485e-13 2.67727263e-04 -2.84543614e-04] [-2.64826355e-13 3.92656279e-04 3.75971306e-04] [-6.25763585e-05 -2.89681232e-04 -4.57371598e-05] [-6.25763603e-05 2.89681231e-04 4.57371588e-05] [ 6.25763578e-05 -2.89681232e-04 -4.57371608e-05] [ 6.25763592e-05 2.89681231e-04 4.57371599e-05] [-2.40993301e-04 -2.40904519e-04 -2.89394271e-04] [ 2.40993301e-04 -2.40904519e-04 -2.89394271e-04] [-2.40993301e-04 2.40904519e-04 2.89394270e-04] [ 2.40993300e-04 2.40904520e-04 2.89394270e-04] [ 6.70811063e-13 -3.92656278e-04 -3.75971307e-04] [ 1.50758312e-13 -2.67727264e-04 2.84543613e-04] [ 3.76504383e-13 2.67727265e-04 -2.84543612e-04] [ 1.17818949e-13 3.92656277e-04 3.75971308e-04] [-6.25763603e-05 -2.89681232e-04 -4.57371587e-05] [-6.25763602e-05 2.89681231e-04 4.57371584e-05] [ 6.25763610e-05 -2.89681231e-04 -4.57371579e-05] [ 6.25763605e-05 2.89681231e-04 4.57371581e-05] [-2.40993299e-04 -2.40904521e-04 -2.89394270e-04] [ 2.40993300e-04 -2.40904520e-04 -2.89394270e-04] [-2.40993299e-04 2.40904521e-04 2.89394271e-04] [ 2.40993300e-04 2.40904520e-04 2.89394271e-04]] Final stress: [-1.08091557e-05 -1.08046182e-05 1.39492210e-05 -9.77488379e-06 8.31284643e-18 2.79311640e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.05254320e-05 -5.23019128e-15 -7.60289940e-05] [-2.05254323e-05 2.43000065e-13 7.60289941e-05] [ 8.66216820e-14 1.99967091e-05 2.12520973e-14] [-9.24260668e-14 -1.99967088e-05 3.79973830e-14] [-7.63769337e-05 -7.46703047e-14 4.47306097e-04] [ 7.63769341e-05 -8.86790641e-14 -4.47306096e-04] [ 2.05254323e-05 -3.76040345e-14 -7.60289940e-05] [-2.05254332e-05 -1.40192545e-13 7.60289939e-05] [-1.66719503e-13 1.99967093e-05 -9.14876191e-14] [ 6.60179376e-14 -1.99967087e-05 -7.98805110e-14] [-7.63769342e-05 3.92738126e-14 4.47306096e-04] [ 7.63769339e-05 1.01527885e-13 -4.47306096e-04] [ 1.43366531e-04 3.95586812e-04 -6.93126829e-05] [-1.45208050e-04 1.07470800e-04 -6.78466903e-05] [-1.43366531e-04 3.95586812e-04 6.93126828e-05] [ 1.45208050e-04 1.07470800e-04 6.78466905e-05] [ 1.45208050e-04 -1.07470800e-04 6.78466903e-05] [-1.43366531e-04 -3.95586812e-04 6.93126833e-05] [ 1.43366531e-04 -3.95586811e-04 -6.93126831e-05] [-1.45208050e-04 -1.07470800e-04 -6.78466901e-05] [ 1.43366531e-04 3.95586812e-04 -6.93126830e-05] [-1.45208050e-04 1.07470800e-04 -6.78466900e-05] [-1.43366531e-04 3.95586812e-04 6.93126831e-05] [ 1.45208049e-04 1.07470800e-04 6.78466901e-05] [ 1.45208050e-04 -1.07470800e-04 6.78466899e-05] [-1.43366531e-04 -3.95586812e-04 6.93126831e-05] [ 1.43366531e-04 -3.95586812e-04 -6.93126829e-05] [-1.45208050e-04 -1.07470800e-04 -6.78466901e-05] [ 5.07760500e-13 -6.07236483e-13 -2.88269408e-13] [ 4.77031175e-13 -5.74621174e-13 4.05123758e-13] [ 2.80164852e-04 3.20656830e-05 6.52972060e-05] [ 2.80164852e-04 -3.20656837e-05 6.52972051e-05] [-2.80164850e-04 3.20656821e-05 -6.52972070e-05] [-2.80164851e-04 -3.20656824e-05 -6.52972062e-05] [ 3.70228718e-04 -4.10449452e-13 4.03341928e-04] [-3.05863115e-04 -1.38599202e-13 2.72685917e-04] [ 3.05863115e-04 -3.67213204e-13 -2.72685917e-04] [-3.70228718e-04 -2.93244595e-13 -4.03341929e-04] [ 2.35197599e-04 2.35110660e-04 2.80463892e-04] [-2.35197599e-04 2.35110659e-04 -2.80463892e-04] [ 2.35197599e-04 -2.35110660e-04 2.80463892e-04] [-2.35197599e-04 -2.35110659e-04 -2.80463893e-04] [ 2.80164851e-04 3.20656839e-05 6.52972052e-05] [ 2.80164851e-04 -3.20656841e-05 6.52972052e-05] [-2.80164851e-04 3.20656844e-05 -6.52972049e-05] [-2.80164851e-04 -3.20656840e-05 -6.52972054e-05] [ 3.70228717e-04 1.50483628e-13 4.03341930e-04] [-3.05863116e-04 1.68374646e-13 2.72685916e-04] [ 3.05863117e-04 1.39305668e-13 -2.72685915e-04] [-3.70228718e-04 2.09066271e-13 -4.03341929e-04] [ 2.35197599e-04 2.35110659e-04 2.80463893e-04] [-2.35197600e-04 2.35110658e-04 -2.80463893e-04] [ 2.35197599e-04 -2.35110659e-04 2.80463893e-04] [-2.35197601e-04 -2.35110657e-04 -2.80463893e-04]] Final stress: [ 1.07434634e-05 1.07385779e-05 -1.42487052e-05 -2.16123943e-17 9.80674296e-06 -1.89524073e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.61211862e-06 -1.11239143e-15 1.23985691e-04] [ 7.61211809e-06 -8.92064200e-14 -1.23985691e-04] [ 4.85020010e-14 -8.13834264e-06 -8.12314625e-14] [ 1.14630527e-13 8.13834241e-06 -6.21169782e-14] [ 1.24354795e-04 2.11610243e-14 4.24578430e-04] [-1.24354795e-04 1.18571819e-13 -4.24578431e-04] [-7.61211943e-06 -5.33162924e-14 1.23985690e-04] [ 7.61211858e-06 -5.28535549e-14 -1.23985691e-04] [-7.37647790e-14 -8.13834288e-06 7.41262163e-14] [-5.03733340e-14 8.13834220e-06 1.08918970e-13] [ 1.24354795e-04 -1.32642021e-13 4.24578431e-04] [-1.24354795e-04 -9.36757367e-14 -4.24578431e-04] [ 1.42017677e-04 -6.72709906e-05 -6.35153149e-05] [-1.49771874e-04 -3.58619694e-04 -5.52876577e-05] [-1.42017677e-04 -6.72709906e-05 6.35153146e-05] [ 1.49771874e-04 -3.58619694e-04 5.52876575e-05] [ 1.49771874e-04 3.58619694e-04 5.52876577e-05] [-1.42017677e-04 6.72709902e-05 6.35153144e-05] [ 1.42017677e-04 6.72709904e-05 -6.35153146e-05] [-1.49771873e-04 3.58619694e-04 -5.52876578e-05] [ 1.42017677e-04 -6.72709903e-05 -6.35153148e-05] [-1.49771874e-04 -3.58619694e-04 -5.52876579e-05] [-1.42017677e-04 -6.72709902e-05 6.35153147e-05] [ 1.49771874e-04 -3.58619694e-04 5.52876580e-05] [ 1.49771874e-04 3.58619694e-04 5.52876579e-05] [-1.42017677e-04 6.72709903e-05 6.35153149e-05] [ 1.42017677e-04 6.72709905e-05 -6.35153150e-05] [-1.49771874e-04 3.58619694e-04 -5.52876578e-05] [ 5.00849362e-13 2.88463697e-13 9.37860900e-14] [ 4.68346282e-13 7.09628409e-13 3.08185686e-13] [-2.92391563e-04 1.25563611e-04 -1.37047619e-05] [-2.92391563e-04 -1.25563610e-04 -1.37047606e-05] [ 2.92391563e-04 1.25563611e-04 1.37047625e-05] [ 2.92391564e-04 -1.25563609e-04 1.37047607e-05] [-2.05414698e-04 4.65516514e-13 -3.44680650e-04] [ 4.56783120e-04 6.37984457e-13 -3.17308861e-04] [-4.56783120e-04 3.84744320e-13 3.17308861e-04] [ 2.05414698e-04 2.97633446e-13 3.44680650e-04] [ 2.47770078e-04 2.47667861e-04 -2.92694678e-04] [-2.47770078e-04 2.47667860e-04 2.92694679e-04] [ 2.47770078e-04 -2.47667861e-04 -2.92694679e-04] [-2.47770077e-04 -2.47667861e-04 2.92694680e-04] [-2.92391564e-04 1.25563610e-04 -1.37047615e-05] [-2.92391563e-04 -1.25563610e-04 -1.37047615e-05] [ 2.92391564e-04 1.25563610e-04 1.37047610e-05] [ 2.92391564e-04 -1.25563609e-04 1.37047609e-05] [-2.05414697e-04 -3.30177843e-13 -3.44680651e-04] [ 4.56783119e-04 -1.45182260e-13 -3.17308861e-04] [-4.56783121e-04 -3.56799226e-13 3.17308860e-04] [ 2.05414697e-04 -1.90823485e-13 3.44680651e-04] [ 2.47770078e-04 2.47667860e-04 -2.92694679e-04] [-2.47770079e-04 2.47667860e-04 2.92694679e-04] [ 2.47770077e-04 -2.47667862e-04 -2.92694679e-04] [-2.47770076e-04 -2.47667862e-04 2.92694678e-04]] Final stress: [ 1.03681381e-05 1.03635290e-05 -1.41225196e-05 -1.61261711e-16 -9.31483980e-06 -1.18036923e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.82508029e-05 1.46596710e-13 -3.47074138e-05] [-7.82508028e-05 -9.66171587e-14 3.47074141e-05] [-6.71298954e-14 7.76684877e-05 2.03804855e-13] [ 1.09107168e-13 -7.76684882e-05 1.09107168e-13] [-3.44655521e-05 -1.39913255e-13 -4.13275269e-04] [ 3.44655518e-05 -2.20379270e-14 4.13275267e-04] [ 7.82508018e-05 -2.34001186e-14 -3.47074146e-05] [-7.82508026e-05 9.43156143e-14 3.47074141e-05] [ 8.41241139e-14 7.76684892e-05 -3.06512500e-13] [-7.60719612e-15 -7.76684886e-05 -1.58936386e-13] [-3.44655516e-05 1.33374721e-13 -4.13275269e-04] [ 3.44655518e-05 8.36907769e-14 4.13275268e-04] [-2.01224147e-04 8.82634842e-05 -2.19793428e-07] [ 1.07280425e-04 3.97316302e-04 9.40537962e-05] [ 2.01224147e-04 8.82634845e-05 2.19793557e-07] [-1.07280426e-04 3.97316302e-04 -9.40537958e-05] [-1.07280426e-04 -3.97316302e-04 -9.40537963e-05] [ 2.01224147e-04 -8.82634845e-05 2.19793918e-07] [-2.01224147e-04 -8.82634845e-05 -2.19793540e-07] [ 1.07280425e-04 -3.97316302e-04 9.40537965e-05] [-2.01224147e-04 8.82634840e-05 -2.19793483e-07] [ 1.07280425e-04 3.97316302e-04 9.40537961e-05] [ 2.01224147e-04 8.82634842e-05 2.19793054e-07] [-1.07280425e-04 3.97316302e-04 -9.40537967e-05] [-1.07280425e-04 -3.97316302e-04 -9.40537965e-05] [ 2.01224147e-04 -8.82634840e-05 2.19792939e-07] [-2.01224147e-04 -8.82634839e-05 -2.19793303e-07] [ 1.07280425e-04 -3.97316303e-04 9.40537960e-05] [-2.08721929e-13 5.18196597e-13 1.73069892e-12] [ 3.50557257e-13 -4.31883185e-13 5.09226108e-13] [ 3.83339198e-04 -1.04668712e-04 -2.87780782e-05] [ 3.83339199e-04 1.04668712e-04 -2.87780783e-05] [-3.83339197e-04 -1.04668712e-04 2.87780785e-05] [-3.83339198e-04 1.04668712e-04 2.87780788e-05] [ 1.82256508e-04 -3.21298543e-13 2.58260223e-04] [-3.91396667e-04 -3.55160346e-13 3.15767498e-04] [ 3.91396665e-04 -3.92845478e-14 -3.15767500e-04] [-1.82256509e-04 -2.24143620e-13 -2.58260221e-04] [-2.45851998e-04 -2.45926475e-04 3.83104185e-04] [ 2.45851998e-04 -2.45926474e-04 -3.83104184e-04] [-2.45851997e-04 2.45926475e-04 3.83104185e-04] [ 2.45851998e-04 2.45926474e-04 -3.83104184e-04] [ 3.83339197e-04 -1.04668712e-04 -2.87780790e-05] [ 3.83339198e-04 1.04668712e-04 -2.87780792e-05] [-3.83339197e-04 -1.04668712e-04 2.87780785e-05] [-3.83339197e-04 1.04668712e-04 2.87780785e-05] [ 1.82256509e-04 3.48708287e-13 2.58260223e-04] [-3.91396667e-04 4.86336232e-14 3.15767497e-04] [ 3.91396665e-04 -2.40754899e-13 -3.15767499e-04] [-1.82256510e-04 -3.95716446e-14 -2.58260222e-04] [-2.45851998e-04 -2.45926475e-04 3.83104186e-04] [ 2.45851999e-04 -2.45926474e-04 -3.83104186e-04] [-2.45851997e-04 2.45926476e-04 3.83104186e-04] [ 2.45851999e-04 2.45926475e-04 -3.83104185e-04]] Final stress: [-1.06053386e-05 -1.06095429e-05 1.41844049e-05 1.37993251e-16 1.03192202e-05 -9.97541572e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.60486195e-05 -7.36737060e-14 8.76259783e-06] [ 1.60486201e-05 2.08166817e-15 -8.76259788e-06] [ 1.13005525e-13 -1.65979812e-05 6.43048982e-14] [ 1.21153088e-13 1.65979813e-05 8.29614155e-14] [ 8.48990050e-06 5.85699024e-14 -4.60775958e-04] [-8.48990040e-06 1.12604370e-13 4.60775958e-04] [-1.60486196e-05 -9.93519503e-15 8.76259784e-06] [ 1.60486198e-05 8.89566198e-14 -8.76259792e-06] [ 1.02255444e-13 -1.65979810e-05 -1.92700109e-14] [ 1.38907982e-15 1.65979810e-05 -7.25395637e-15] [ 8.48990070e-06 -1.89560245e-15 -4.60775958e-04] [-8.48990069e-06 -2.12312859e-14 4.60775958e-04] [-1.23512025e-04 -4.36514725e-04 9.28189727e-05] [ 1.72961699e-04 -1.39527229e-04 4.31196438e-05] [ 1.23512025e-04 -4.36514725e-04 -9.28189724e-05] [-1.72961699e-04 -1.39527229e-04 -4.31196439e-05] [-1.72961699e-04 1.39527229e-04 -4.31196439e-05] [ 1.23512025e-04 4.36514725e-04 -9.28189723e-05] [-1.23512025e-04 4.36514726e-04 9.28189724e-05] [ 1.72961699e-04 1.39527229e-04 4.31196436e-05] [-1.23512025e-04 -4.36514726e-04 9.28189730e-05] [ 1.72961699e-04 -1.39527229e-04 4.31196435e-05] [ 1.23512025e-04 -4.36514726e-04 -9.28189725e-05] [-1.72961699e-04 -1.39527229e-04 -4.31196438e-05] [-1.72961699e-04 1.39527229e-04 -4.31196438e-05] [ 1.23512025e-04 4.36514726e-04 -9.28189726e-05] [-1.23512025e-04 4.36514726e-04 9.28189729e-05] [ 1.72961699e-04 1.39527229e-04 4.31196437e-05] [-5.95745675e-13 1.82243109e-13 -3.23907567e-13] [-6.68462681e-14 -2.54587251e-13 1.76064286e-13] [-3.07880997e-04 3.18008266e-05 -1.30338983e-04] [-3.07880997e-04 -3.18008260e-05 -1.30338982e-04] [ 3.07880997e-04 3.18008273e-05 1.30338984e-04] [ 3.07880997e-04 -3.18008254e-05 1.30338982e-04] [-2.91281496e-04 5.86197757e-14 -4.53508687e-04] [ 3.55087358e-04 2.06062598e-13 -1.92905798e-04] [-3.55087360e-04 5.94805455e-13 1.92905797e-04] [ 2.91281497e-04 -1.11622517e-13 4.53508687e-04] [-2.27107920e-04 -2.27172680e-04 -3.07616815e-04] [ 2.27107921e-04 -2.27172678e-04 3.07616815e-04] [-2.27107922e-04 2.27172678e-04 -3.07616814e-04] [ 2.27107921e-04 2.27172679e-04 3.07616815e-04] [-3.07880997e-04 3.18008233e-05 -1.30338980e-04] [-3.07880998e-04 -3.18008224e-05 -1.30338979e-04] [ 3.07880997e-04 3.18008236e-05 1.30338980e-04] [ 3.07880997e-04 -3.18008229e-05 1.30338979e-04] [-2.91281493e-04 -4.28391377e-13 -4.53508690e-04] [ 3.55087361e-04 -2.93560315e-13 -1.92905796e-04] [-3.55087362e-04 -1.54115002e-13 1.92905795e-04] [ 2.91281493e-04 4.70467415e-13 4.53508690e-04] [-2.27107924e-04 -2.27172677e-04 -3.07616814e-04] [ 2.27107924e-04 -2.27172676e-04 3.07616815e-04] [-2.27107925e-04 2.27172675e-04 -3.07616814e-04] [ 2.27107925e-04 2.27172675e-04 3.07616814e-04]] Final stress: [-1.11873944e-05 -1.11921502e-05 1.41552240e-05 -2.44397685e-16 -1.05442693e-05 -1.03079296e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.48495707e-04 2.53175735e-05 1.27774961e-13] [ 1.48495705e-04 -2.53175733e-05 3.03368441e-14] [ 2.53175736e-05 -1.48495705e-04 5.99780642e-16] [-2.53175732e-05 1.48495705e-04 2.16132667e-13] [-3.37121824e-14 2.15448319e-13 4.00641691e-04] [ 3.60822483e-16 9.13158438e-14 -4.00641691e-04] [-1.48495706e-04 2.53175735e-05 -6.19871283e-14] [ 1.48495706e-04 -2.53175734e-05 2.33673874e-14] [ 2.53175734e-05 -1.48495705e-04 5.91828675e-14] [-2.53175734e-05 1.48495706e-04 -1.63448790e-13] [-2.31772067e-14 -1.55986061e-13 4.00641692e-04] [-1.83822575e-13 -1.87685161e-13 -4.00641691e-04] [ 6.79235454e-05 6.79235453e-05 2.18305632e-04] [-6.79235446e-05 -6.79235449e-05 2.18305632e-04] [-2.42665055e-04 2.42665054e-04 2.99380048e-04] [ 2.42665054e-04 -2.42665055e-04 2.99380048e-04] [ 6.79235451e-05 6.79235453e-05 -2.18305632e-04] [-6.79235448e-05 -6.79235446e-05 -2.18305632e-04] [ 2.42665055e-04 -2.42665055e-04 -2.99380048e-04] [-2.42665055e-04 2.42665054e-04 -2.99380048e-04] [ 6.79235447e-05 6.79235449e-05 2.18305631e-04] [-6.79235454e-05 -6.79235455e-05 2.18305632e-04] [-2.42665055e-04 2.42665055e-04 2.99380048e-04] [ 2.42665055e-04 -2.42665055e-04 2.99380048e-04] [ 6.79235448e-05 6.79235450e-05 -2.18305632e-04] [-6.79235455e-05 -6.79235455e-05 -2.18305632e-04] [ 2.42665054e-04 -2.42665055e-04 -2.99380048e-04] [-2.42665055e-04 2.42665054e-04 -2.99380048e-04] [ 1.05590536e-12 9.61758451e-13 2.71394018e-13] [-3.41458632e-13 -1.04836295e-12 -1.70739399e-13] [ 4.63756711e-04 8.32699309e-05 5.89552577e-05] [-4.63756711e-04 -8.32699308e-05 5.89552573e-05] [ 4.63756711e-04 8.32699292e-05 -5.89552590e-05] [-4.63756712e-04 -8.32699300e-05 -5.89552581e-05] [ 8.32699268e-05 4.63756711e-04 5.89552619e-05] [ 8.32699260e-05 4.63756711e-04 -5.89552621e-05] [-8.32699295e-05 -4.63756711e-04 5.89552581e-05] [-8.32699277e-05 -4.63756711e-04 -5.89552596e-05] [ 4.91877008e-04 4.91877011e-04 -1.00697228e-12] [ 1.20363320e-05 -1.20363303e-05 -3.48743603e-13] [-1.20363319e-05 1.20363303e-05 -1.05746141e-12] [-4.91877011e-04 -4.91877008e-04 -4.40345677e-13] [ 4.63756712e-04 8.32699277e-05 5.89552608e-05] [-4.63756711e-04 -8.32699286e-05 5.89552595e-05] [ 4.63756713e-04 8.32699290e-05 -5.89552597e-05] [-4.63756710e-04 -8.32699300e-05 -5.89552583e-05] [ 8.32699287e-05 4.63756711e-04 5.89552589e-05] [ 8.32699296e-05 4.63756710e-04 -5.89552584e-05] [-8.32699278e-05 -4.63756711e-04 5.89552599e-05] [-8.32699296e-05 -4.63756711e-04 -5.89552583e-05] [ 4.91877009e-04 4.91877011e-04 6.31413239e-13] [ 1.20363345e-05 -1.20363278e-05 2.79428309e-14] [-1.20363314e-05 1.20363307e-05 7.15598950e-13] [-4.91877008e-04 -4.91877012e-04 5.39404025e-13]] Final stress: [ 1.04597003e-05 1.04597003e-05 -1.47248457e-05 3.02573520e-16 1.31336858e-16 1.09960038e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.51220103e-07 1.42399674e-04 1.80000112e-13] [-4.51219924e-07 -1.42399674e-04 2.19657625e-13] [ 1.42399674e-04 4.51219736e-07 5.80642305e-14] [-1.42399674e-04 -4.51219324e-07 1.91319183e-13] [ 7.31138240e-14 5.59517710e-14 4.23151831e-04] [ 2.57016630e-14 -6.36712905e-14 -4.23151831e-04] [ 4.51220360e-07 1.42399674e-04 -3.36027035e-14] [-4.51220253e-07 -1.42399674e-04 -1.14693360e-13] [ 1.42399674e-04 4.51220098e-07 2.96332164e-14] [-1.42399674e-04 -4.51220187e-07 3.04780202e-14] [-1.75957339e-14 -2.41951975e-14 4.23151831e-04] [ 2.70929112e-14 8.60377570e-14 -4.23151830e-04] [ 1.33232406e-04 1.33232406e-04 -2.64880263e-04] [-1.33232407e-04 -1.33232406e-04 -2.64880263e-04] [-1.57253247e-04 1.57253247e-04 -1.44686038e-04] [ 1.57253247e-04 -1.57253247e-04 -1.44686038e-04] [ 1.33232406e-04 1.33232406e-04 2.64880263e-04] [-1.33232406e-04 -1.33232406e-04 2.64880263e-04] [ 1.57253247e-04 -1.57253248e-04 1.44686038e-04] [-1.57253247e-04 1.57253247e-04 1.44686038e-04] [ 1.33232406e-04 1.33232406e-04 -2.64880263e-04] [-1.33232406e-04 -1.33232406e-04 -2.64880263e-04] [-1.57253247e-04 1.57253247e-04 -1.44686038e-04] [ 1.57253247e-04 -1.57253247e-04 -1.44686038e-04] [ 1.33232406e-04 1.33232406e-04 2.64880263e-04] [-1.33232406e-04 -1.33232406e-04 2.64880263e-04] [ 1.57253247e-04 -1.57253247e-04 1.44686038e-04] [-1.57253247e-04 1.57253247e-04 1.44686038e-04] [-9.02611319e-14 -2.14661622e-13 2.41473508e-14] [-5.73368610e-13 4.18700523e-13 -5.66028552e-13] [-2.79627574e-04 1.39045858e-04 -2.80406214e-05] [ 2.79627574e-04 -1.39045859e-04 -2.80406226e-05] [-2.79627573e-04 1.39045858e-04 2.80406214e-05] [ 2.79627574e-04 -1.39045859e-04 2.80406226e-05] [ 1.39045859e-04 -2.79627573e-04 -2.80406222e-05] [ 1.39045860e-04 -2.79627574e-04 2.80406226e-05] [-1.39045859e-04 2.79627573e-04 -2.80406216e-05] [-1.39045859e-04 2.79627573e-04 2.80406219e-05] [-8.63689452e-05 -8.63689485e-05 3.50164342e-13] [-5.85670523e-04 5.85670522e-04 -4.62298602e-13] [ 5.85670525e-04 -5.85670521e-04 7.51135265e-16] [ 8.63689455e-05 8.63689481e-05 -6.75015599e-14] [-2.79627574e-04 1.39045858e-04 -2.80406212e-05] [ 2.79627573e-04 -1.39045858e-04 -2.80406212e-05] [-2.79627573e-04 1.39045858e-04 2.80406205e-05] [ 2.79627573e-04 -1.39045858e-04 2.80406209e-05] [ 1.39045859e-04 -2.79627573e-04 -2.80406220e-05] [ 1.39045860e-04 -2.79627573e-04 2.80406228e-05] [-1.39045861e-04 2.79627574e-04 -2.80406233e-05] [-1.39045860e-04 2.79627574e-04 2.80406226e-05] [-8.63689473e-05 -8.63689464e-05 -1.30255946e-13] [-5.85670523e-04 5.85670522e-04 -2.11126940e-13] [ 5.85670524e-04 -5.85670522e-04 -1.83852658e-13] [ 8.63689456e-05 8.63689482e-05 2.29921117e-13]] Final stress: [ 1.03178325e-05 1.03178325e-05 -1.40566958e-05 -8.14621015e-17 1.18036923e-16 -9.13003748e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.97693541e-02 6.96781808e-03 -1.54729576e-11] [-1.97693542e-02 -6.96781809e-03 3.47297191e-12] [ 6.96781809e-03 1.97693541e-02 -7.31736113e-12] [-6.96781808e-03 -1.97693541e-02 1.66282821e-11] [-7.57111756e-12 -2.23644887e-14 -1.17116582e-02] [-1.44007584e-11 -1.35000899e-11 1.17116581e-02] [ 1.97693541e-02 6.96781811e-03 1.71931475e-11] [-1.97693541e-02 -6.96781810e-03 -1.42489207e-12] [ 6.96781807e-03 1.97693541e-02 -7.08990620e-12] [-6.96781810e-03 -1.97693541e-02 -1.59419282e-11] [-5.31317568e-12 -9.16837989e-12 -1.17116581e-02] [ 2.04509864e-11 8.73639772e-12 1.17116581e-02] [-1.73964748e-02 -1.73964748e-02 1.37590874e-02] [ 1.73964747e-02 1.73964748e-02 1.37590874e-02] [ 1.18360525e-03 -1.18360524e-03 1.18134920e-02] [-1.18360523e-03 1.18360523e-03 1.18134920e-02] [-1.73964748e-02 -1.73964748e-02 -1.37590874e-02] [ 1.73964748e-02 1.73964748e-02 -1.37590874e-02] [-1.18360521e-03 1.18360525e-03 -1.18134920e-02] [ 1.18360522e-03 -1.18360524e-03 -1.18134920e-02] [-1.73964747e-02 -1.73964748e-02 1.37590873e-02] [ 1.73964748e-02 1.73964748e-02 1.37590874e-02] [ 1.18360521e-03 -1.18360523e-03 1.18134920e-02] [-1.18360523e-03 1.18360522e-03 1.18134920e-02] [-1.73964747e-02 -1.73964748e-02 -1.37590874e-02] [ 1.73964747e-02 1.73964748e-02 -1.37590874e-02] [-1.18360522e-03 1.18360525e-03 -1.18134920e-02] [ 1.18360524e-03 -1.18360522e-03 -1.18134920e-02] [ 1.43933754e-11 -1.10922938e-11 6.43186615e-11] [-3.11356158e-11 3.58580635e-11 -3.89144209e-11] [ 3.62531820e-02 -1.31339910e-02 8.13135878e-03] [-3.62531822e-02 1.31339910e-02 8.13135874e-03] [ 3.62531821e-02 -1.31339910e-02 -8.13135871e-03] [-3.62531821e-02 1.31339909e-02 -8.13135867e-03] [-1.31339909e-02 3.62531822e-02 8.13135862e-03] [-1.31339907e-02 3.62531822e-02 -8.13135840e-03] [ 1.31339909e-02 -3.62531822e-02 8.13135858e-03] [ 1.31339907e-02 -3.62531821e-02 -8.13135844e-03] [ 2.51460516e-03 2.51460538e-03 8.46466230e-11] [ 2.14317097e-02 -2.14317096e-02 7.75595421e-11] [-2.14317098e-02 2.14317095e-02 8.50135119e-11] [-2.51460531e-03 -2.51460529e-03 1.07297834e-11] [ 3.62531822e-02 -1.31339907e-02 8.13135848e-03] [-3.62531821e-02 1.31339907e-02 8.13135843e-03] [ 3.62531822e-02 -1.31339909e-02 -8.13135865e-03] [-3.62531821e-02 1.31339909e-02 -8.13135860e-03] [-1.31339909e-02 3.62531822e-02 8.13135861e-03] [-1.31339909e-02 3.62531821e-02 -8.13135864e-03] [ 1.31339909e-02 -3.62531821e-02 8.13135869e-03] [ 1.31339911e-02 -3.62531821e-02 -8.13135883e-03] [ 2.51460540e-03 2.51460522e-03 -5.26750180e-11] [ 2.14317095e-02 -2.14317098e-02 -6.13599373e-11] [-2.14317095e-02 2.14317098e-02 -2.67737336e-11] [-2.51460545e-03 -2.51460518e-03 -4.06974315e-11]] Final stress: [-1.14428006e-04 -1.14428006e-04 7.84228008e-04 -3.73413062e-14 -1.90197926e-14 2.44089059e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.34319458e-05 5.15093532e-05 -1.49096881e-13] [ 2.34319457e-05 -5.15093533e-05 6.24500451e-15] [ 5.15093532e-05 -2.34319458e-05 -1.31979930e-13] [-5.15093532e-05 2.34319459e-05 8.16291479e-14] [-8.65202007e-14 6.77491917e-14 -4.54336208e-04] [-4.35762537e-14 -1.05110365e-13 4.54336209e-04] [-2.34319468e-05 5.15093535e-05 5.40480136e-14] [ 2.34319457e-05 -5.15093535e-05 3.74613372e-14] [ 5.15093534e-05 -2.34319456e-05 6.27922141e-14] [-5.15093534e-05 2.34319460e-05 -1.15945642e-13] [-2.84325515e-14 -2.94550369e-14 -4.54336208e-04] [-9.16319971e-14 1.31595592e-13 4.54336208e-04] [-1.38104574e-04 -1.38104574e-04 -1.97220115e-04] [ 1.38104574e-04 1.38104574e-04 -1.97220115e-04] [ 1.57130836e-04 -1.57130836e-04 -3.29751037e-04] [-1.57130837e-04 1.57130836e-04 -3.29751036e-04] [-1.38104574e-04 -1.38104574e-04 1.97220115e-04] [ 1.38104574e-04 1.38104574e-04 1.97220115e-04] [-1.57130837e-04 1.57130836e-04 3.29751036e-04] [ 1.57130836e-04 -1.57130836e-04 3.29751037e-04] [-1.38104574e-04 -1.38104574e-04 -1.97220115e-04] [ 1.38104574e-04 1.38104574e-04 -1.97220115e-04] [ 1.57130836e-04 -1.57130836e-04 -3.29751036e-04] [-1.57130836e-04 1.57130836e-04 -3.29751036e-04] [-1.38104574e-04 -1.38104574e-04 1.97220115e-04] [ 1.38104574e-04 1.38104574e-04 1.97220115e-04] [-1.57130836e-04 1.57130836e-04 3.29751037e-04] [ 1.57130836e-04 -1.57130836e-04 3.29751036e-04] [ 2.18158824e-14 -3.74644760e-13 -2.52492471e-13] [ 1.30252319e-12 -3.13020827e-13 -4.29754904e-13] [-2.89016062e-04 -1.66972183e-05 -8.45601152e-05] [ 2.89016063e-04 1.66972187e-05 -8.45601145e-05] [-2.89016062e-04 -1.66972188e-05 8.45601146e-05] [ 2.89016062e-04 1.66972194e-05 8.45601138e-05] [-1.66972185e-05 -2.89016062e-04 -8.45601151e-05] [-1.66972189e-05 -2.89016062e-04 8.45601147e-05] [ 1.66972183e-05 2.89016062e-04 -8.45601157e-05] [ 1.66972181e-05 2.89016062e-04 8.45601159e-05] [-5.65845836e-04 -5.65845835e-04 -4.41313652e-13] [-9.74869790e-05 9.74869792e-05 -8.25346735e-14] [ 9.74869789e-05 -9.74869795e-05 -4.46019957e-13] [ 5.65845836e-04 5.65845836e-04 -4.96502145e-13] [-2.89016061e-04 -1.66972187e-05 -8.45601152e-05] [ 2.89016062e-04 1.66972187e-05 -8.45601153e-05] [-2.89016062e-04 -1.66972183e-05 8.45601158e-05] [ 2.89016062e-04 1.66972184e-05 8.45601154e-05] [-1.66972192e-05 -2.89016062e-04 -8.45601145e-05] [-1.66972185e-05 -2.89016062e-04 8.45601150e-05] [ 1.66972196e-05 2.89016062e-04 -8.45601143e-05] [ 1.66972186e-05 2.89016062e-04 8.45601150e-05] [-5.65845835e-04 -5.65845836e-04 7.01213269e-14] [-9.74869802e-05 9.74869786e-05 8.37113446e-14] [ 9.74869798e-05 -9.74869789e-05 -1.08421921e-13] [ 5.65845837e-04 5.65845835e-04 2.78212783e-13]] Final stress: [-1.09969214e-05 -1.09969214e-05 1.40114758e-05 1.61269221e-16 -6.31776329e-17 -1.00708828e-05] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-6.12028779e-03 -5.85909359e-13 1.18065280e-13] [ 6.12028779e-03 3.71647157e-14 3.59628993e-13] [ 1.19516810e-13 -4.49220229e-03 -4.79338791e-14] [-4.72649697e-13 4.49220229e-03 -7.58837437e-13] [-1.66689579e-13 -3.11732411e-13 -4.49220229e-03] [-7.31137373e-13 -1.19967924e-12 4.49220229e-03] [-6.12028779e-03 -1.66793229e-13 7.88240787e-13] [ 6.12028779e-03 -2.60627891e-13 4.68725463e-13] [-2.08656876e-14 -4.49220229e-03 -1.31100176e-13] [-6.92749677e-13 4.49220229e-03 -2.35512213e-13] [-9.84837212e-14 -1.07128001e-12 -4.49220230e-03] [ 1.33333275e-12 7.43347872e-13 4.49220229e-03] [ 1.23623035e-03 -1.88246400e-03 -1.88246400e-03] [-1.23623036e-03 1.88246400e-03 -1.88246400e-03] [-1.23623036e-03 -1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 -1.88246400e-03 1.88246400e-03] [-1.23623036e-03 1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 1.88246400e-03 -1.88246400e-03] [-1.23623036e-03 -1.88246400e-03 -1.88246400e-03] [ 1.23623036e-03 -1.88246400e-03 -1.88246400e-03] [-1.23623035e-03 1.88246400e-03 -1.88246400e-03] [-1.23623035e-03 -1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 -1.88246400e-03 1.88246400e-03] [-1.23623035e-03 1.88246400e-03 1.88246400e-03] [ 1.23623035e-03 1.88246400e-03 -1.88246400e-03] [-1.23623035e-03 -1.88246400e-03 -1.88246400e-03] [-2.03698169e-13 -1.02035047e-12 -2.40085729e-12] [ 3.62088788e-12 -2.23557948e-13 -7.88697022e-13] [ 6.56585897e-13 -4.36359412e-03 -4.36359412e-03] [ 1.86572979e-13 4.36359412e-03 -4.36359412e-03] [ 2.06913306e-12 -4.36359412e-03 4.36359412e-03] [ 2.11254625e-13 4.36359412e-03 4.36359412e-03] [-1.35976649e-03 -7.54285523e-13 -6.82570148e-04] [-1.35976649e-03 -6.82306642e-13 6.82570149e-04] [ 1.35976649e-03 7.58506105e-13 -6.82570149e-04] [ 1.35976649e-03 6.65092981e-13 6.82570148e-04] [-1.35976649e-03 -6.82570148e-04 2.52875498e-12] [ 1.35976649e-03 -6.82570148e-04 1.40665778e-12] [-1.35976649e-03 6.82570148e-04 3.16163762e-13] [ 1.35976649e-03 6.82570149e-04 6.53765236e-14] [ 5.39591809e-13 -4.36359412e-03 -4.36359412e-03] [ 1.67595104e-13 4.36359412e-03 -4.36359412e-03] [-3.60683705e-13 -4.36359412e-03 4.36359412e-03] [ 1.12823336e-12 4.36359412e-03 4.36359412e-03] [-1.35976649e-03 1.07377324e-12 -6.82570150e-04] [-1.35976649e-03 -2.61942378e-13 6.82570148e-04] [ 1.35976649e-03 7.82238423e-13 -6.82570148e-04] [ 1.35976649e-03 -5.72218922e-13 6.82570147e-04] [-1.35976649e-03 -6.82570148e-04 -1.61435156e-12] [ 1.35976649e-03 -6.82570148e-04 -1.13378084e-12] [-1.35976649e-03 6.82570147e-04 2.15248893e-14] [ 1.35976649e-03 6.82570152e-04 6.09213634e-13]] Final stress: [ 2.27307248e-04 -2.27534455e-05 -2.27534455e-05 7.61461165e-16 -2.44731623e-15 2.23949386e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.29468545e-04 1.52521658e-13 1.73336736e-12] [-4.29468539e-04 -2.58099098e-13 6.26720897e-14] [-4.50480798e-13 4.29468544e-04 9.96467665e-13] [ 7.07711667e-13 -4.29468538e-04 6.09789996e-14] [-6.98038849e-13 -1.16840782e-12 -1.60974268e-03] [ 1.19804167e-12 -1.47243329e-13 1.60974267e-03] [ 4.29468543e-04 6.66019757e-13 -1.54389204e-12] [-4.29468541e-04 7.82931012e-13 -5.04034459e-13] [-4.67107256e-13 4.29468543e-04 -1.49238567e-12] [-1.21800139e-13 -4.29468540e-04 -1.07990937e-12] [ 4.42364895e-13 5.23647879e-13 -1.60974267e-03] [-6.36999134e-13 5.23718990e-13 1.60974267e-03] [ 3.45979191e-04 3.45979190e-04 8.39553835e-04] [-3.45979190e-04 -3.45979190e-04 8.39553837e-04] [-3.45979189e-04 3.45979190e-04 -8.39553834e-04] [ 3.45979189e-04 -3.45979190e-04 -8.39553835e-04] [ 3.45979189e-04 3.45979189e-04 -8.39553835e-04] [-3.45979189e-04 -3.45979190e-04 -8.39553834e-04] [ 3.45979191e-04 -3.45979190e-04 8.39553835e-04] [-3.45979189e-04 3.45979191e-04 8.39553836e-04] [ 3.45979190e-04 3.45979190e-04 8.39553836e-04] [-3.45979189e-04 -3.45979187e-04 8.39553832e-04] [-3.45979191e-04 3.45979191e-04 -8.39553837e-04] [ 3.45979190e-04 -3.45979189e-04 -8.39553837e-04] [ 3.45979192e-04 3.45979192e-04 -8.39553838e-04] [-3.45979189e-04 -3.45979189e-04 -8.39553837e-04] [ 3.45979188e-04 -3.45979188e-04 8.39553834e-04] [-3.45979190e-04 3.45979190e-04 8.39553834e-04] [-3.49362206e-12 -7.39880379e-12 7.23177074e-12] [-1.72586338e-12 -1.21908209e-12 -1.27969860e-12] [ 4.00568467e-13 1.23955734e-03 -3.87029624e-04] [ 1.74223830e-12 -1.23955735e-03 -3.87029629e-04] [ 1.60207611e-12 1.23955734e-03 3.87029627e-04] [-3.90694421e-14 -1.23955734e-03 3.87029625e-04] [ 1.23955735e-03 -2.67563749e-13 -3.87029627e-04] [ 1.23955735e-03 1.13000755e-12 3.87029639e-04] [-1.23955734e-03 -1.68867351e-12 -3.87029622e-04] [-1.23955734e-03 -2.73396757e-12 3.87029627e-04] [ 2.57114056e-04 2.57114056e-04 3.42281758e-12] [-2.57114055e-04 2.57114058e-04 3.86522585e-12] [ 2.57114070e-04 -2.57114046e-04 3.35534031e-12] [-2.57114061e-04 -2.57114055e-04 2.96837901e-12] [-6.53690557e-12 1.23955735e-03 -3.87029628e-04] [-5.89591006e-12 -1.23955735e-03 -3.87029635e-04] [-3.95582091e-12 1.23955734e-03 3.87029620e-04] [-1.76115893e-12 -1.23955734e-03 3.87029624e-04] [ 1.23955734e-03 -1.68973215e-12 -3.87029626e-04] [ 1.23955735e-03 3.41919852e-13 3.87029628e-04] [-1.23955735e-03 -6.89358119e-12 -3.87029631e-04] [-1.23955735e-03 -2.77036250e-12 3.87029629e-04] [ 2.57114053e-04 2.57114060e-04 3.93712419e-12] [-2.57114061e-04 2.57114052e-04 -1.04577083e-12] [ 2.57114060e-04 -2.57114054e-04 -7.96056045e-13] [-2.57114062e-04 -2.57114051e-04 -2.94902861e-12]] Final stress: [-2.63670848e-05 -2.63670848e-05 3.49142295e-05 -4.12295583e-16 -5.31994301e-17 -7.48116986e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.34933983e-02 -1.23873264e-12 7.09899977e-12] [-5.34933983e-02 -2.64849254e-12 4.14687729e-12] [-1.59466624e-12 -4.52695150e-02 4.71249905e-12] [ 2.21123120e-12 4.52695150e-02 7.82157672e-12] [ 1.10039321e-12 9.46500690e-13 2.70959204e-03] [ 3.20879434e-12 -3.43614026e-14 -2.70959204e-03] [ 5.34933983e-02 -6.92082069e-12 -7.51368089e-12] [-5.34933983e-02 -4.32267199e-12 -8.69536923e-14] [-3.79562397e-12 -4.52695150e-02 4.22936982e-12] [-2.91603720e-12 4.52695150e-02 -4.15962656e-12] [ 1.30314899e-12 -5.40309030e-12 2.70959203e-03] [-2.68470619e-12 -5.74379876e-12 -2.70959203e-03] [ 6.18320722e-03 -6.11812042e-03 -8.46777284e-04] [-6.18320721e-03 6.11812042e-03 -8.46777285e-04] [-6.18320721e-03 -6.11812043e-03 8.46777293e-04] [ 6.18320722e-03 6.11812043e-03 8.46777286e-04] [ 6.18320721e-03 -6.11812043e-03 8.46777282e-04] [-6.18320721e-03 6.11812044e-03 8.46777287e-04] [ 6.18320721e-03 6.11812042e-03 -8.46777290e-04] [-6.18320722e-03 -6.11812042e-03 -8.46777283e-04] [ 6.18320720e-03 -6.11812043e-03 -8.46777297e-04] [-6.18320722e-03 6.11812042e-03 -8.46777293e-04] [-6.18320721e-03 -6.11812043e-03 8.46777284e-04] [ 6.18320722e-03 6.11812042e-03 8.46777281e-04] [ 6.18320721e-03 -6.11812043e-03 8.46777286e-04] [-6.18320722e-03 6.11812042e-03 8.46777276e-04] [ 6.18320721e-03 6.11812042e-03 -8.46777293e-04] [-6.18320722e-03 -6.11812043e-03 -8.46777300e-04] [ 4.69427275e-12 1.45949919e-11 1.00283948e-11] [-1.27864924e-11 -3.90436638e-12 -1.83974499e-11] [ 4.16988666e-12 4.07107495e-03 -2.19677975e-03] [ 5.61026919e-13 -4.07107494e-03 -2.19677976e-03] [-8.67344044e-12 4.07107494e-03 2.19677974e-03] [-1.01289845e-11 -4.07107492e-03 2.19677975e-03] [-1.81775758e-03 -1.50899293e-11 4.53223267e-03] [-1.81775758e-03 -3.29888894e-12 -4.53223266e-03] [ 1.81775758e-03 -1.38873652e-11 4.53223266e-03] [ 1.81775760e-03 -4.89763091e-12 -4.53223266e-03] [-7.28602480e-03 5.16860805e-03 3.45401485e-12] [ 7.28602480e-03 5.16860806e-03 1.53822823e-11] [-7.28602481e-03 -5.16860805e-03 -6.25366078e-13] [ 7.28602480e-03 -5.16860805e-03 1.23969706e-11] [-6.50132552e-12 4.07107493e-03 -2.19677974e-03] [-1.03047406e-11 -4.07107493e-03 -2.19677974e-03] [ 4.22466706e-12 4.07107493e-03 2.19677973e-03] [-3.54578563e-12 -4.07107492e-03 2.19677973e-03] [-1.81775758e-03 2.48396902e-12 4.53223266e-03] [-1.81775759e-03 -4.04658447e-12 -4.53223267e-03] [ 1.81775760e-03 1.81312821e-12 4.53223267e-03] [ 1.81775758e-03 -6.57028945e-12 -4.53223266e-03] [-7.28602480e-03 5.16860805e-03 8.46359082e-12] [ 7.28602481e-03 5.16860806e-03 1.11844534e-14] [-7.28602480e-03 -5.16860804e-03 8.31327715e-12] [ 7.28602480e-03 -5.16860806e-03 5.98776671e-12]] Final stress: [-4.38487590e-04 3.98610882e-04 -4.00111073e-06 7.80558105e-15 -4.46223206e-15 -1.16044634e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.52758853e-02 -7.11149672e-12 4.14876813e-12] [ 4.52758853e-02 -7.73059394e-12 2.80134249e-12] [ 8.83115239e-12 5.35004932e-02 5.33011395e-12] [ 5.38782907e-12 -5.35004932e-02 9.04479269e-12] [ 3.71608430e-12 -1.07831821e-11 2.70990546e-03] [ 1.05335185e-11 -6.81094070e-12 -2.70990546e-03] [-4.52758853e-02 -7.09119222e-12 -2.06145720e-12] [ 4.52758853e-02 -1.64252813e-12 -1.60297428e-12] [-6.40497074e-12 5.35004932e-02 -5.76019313e-12] [-4.75597990e-12 -5.35004932e-02 -7.33509526e-13] [ 4.13479060e-12 4.90085999e-14 2.70990545e-03] [-3.71601621e-13 -2.40202471e-12 -2.70990545e-03] [-6.11853971e-03 6.18376091e-03 -8.46945305e-04] [ 6.11853971e-03 -6.18376091e-03 -8.46945304e-04] [ 6.11853971e-03 6.18376091e-03 8.46945309e-04] [-6.11853970e-03 -6.18376091e-03 8.46945303e-04] [-6.11853971e-03 6.18376091e-03 8.46945302e-04] [ 6.11853971e-03 -6.18376090e-03 8.46945307e-04] [-6.11853971e-03 -6.18376091e-03 -8.46945303e-04] [ 6.11853971e-03 6.18376091e-03 -8.46945311e-04] [-6.11853972e-03 6.18376092e-03 -8.46945313e-04] [ 6.11853970e-03 -6.18376091e-03 -8.46945314e-04] [ 6.11853970e-03 6.18376092e-03 8.46945303e-04] [-6.11853972e-03 -6.18376090e-03 8.46945308e-04] [-6.11853971e-03 6.18376092e-03 8.46945304e-04] [ 6.11853971e-03 -6.18376090e-03 8.46945292e-04] [-6.11853973e-03 -6.18376091e-03 -8.46945317e-04] [ 6.11853970e-03 6.18376093e-03 -8.46945313e-04] [ 1.80007398e-11 -2.55813704e-11 8.79063489e-12] [-1.23822242e-11 -1.93666376e-12 -4.72615448e-12] [-1.14336318e-11 -1.80655057e-03 4.52405640e-03] [-1.41069188e-11 1.80655059e-03 4.52405642e-03] [-1.06923862e-11 -1.80655058e-03 -4.52405640e-03] [-1.57103722e-11 1.80655061e-03 -4.52405642e-03] [ 4.06130557e-03 -8.14392997e-12 -2.18860710e-03] [ 4.06130555e-03 -6.00518073e-12 2.18860710e-03] [-4.06130558e-03 -1.17722325e-12 -2.18860713e-03] [-4.06130556e-03 -1.53667738e-11 2.18860713e-03] [ 5.14994185e-03 -7.26745227e-03 -3.47744056e-12] [-5.14994188e-03 -7.26745231e-03 7.28970703e-12] [ 5.14994188e-03 7.26745229e-03 -4.43660733e-13] [-5.14994189e-03 7.26745231e-03 3.64886420e-12] [ 2.26045094e-12 -1.80655059e-03 4.52405642e-03] [ 1.73816083e-12 1.80655059e-03 4.52405641e-03] [-1.84614173e-12 -1.80655058e-03 -4.52405642e-03] [ 9.08629161e-12 1.80655058e-03 -4.52405641e-03] [ 4.06130556e-03 -8.73276367e-12 -2.18860712e-03] [ 4.06130557e-03 -1.37052442e-11 2.18860713e-03] [-4.06130553e-03 -1.53004900e-11 -2.18860708e-03] [-4.06130554e-03 -1.62862467e-11 2.18860709e-03] [ 5.14994191e-03 -7.26745233e-03 9.67832117e-12] [-5.14994189e-03 -7.26745230e-03 5.59459886e-12] [ 5.14994189e-03 7.26745233e-03 3.84397822e-13] [-5.14994188e-03 7.26745230e-03 2.38716685e-12]] Final stress: [ 3.98684536e-04 -4.38577442e-04 -4.00461911e-06 -1.09660517e-14 -1.32669940e-15 1.47133956e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.57118447e-04 2.16516909e-13 1.55010553e-14] [ 5.57118447e-04 2.84383628e-13 4.14390744e-14] [ 1.92012205e-14 -5.57118447e-04 2.76944266e-13] [ 1.20015109e-13 5.57118448e-04 4.14751566e-13] [-2.27508984e-14 -2.01142054e-13 2.27033264e-06] [ 1.44384504e-13 -5.30964162e-14 -2.27033431e-06] [-5.57118448e-04 3.10291723e-13 2.35101046e-13] [ 5.57118447e-04 -9.19741713e-14 2.39786701e-13] [ 5.90816458e-14 -5.57118447e-04 8.99984838e-14] [ 1.09644498e-13 5.57118447e-04 -4.96897966e-13] [-1.87389600e-13 -2.02828132e-13 2.27033201e-06] [-1.45012041e-13 7.34420780e-15 -2.27033193e-06] [-5.02133693e-05 -5.02133690e-05 -2.66194542e-04] [ 5.02133689e-05 5.02133689e-05 -2.66194541e-04] [ 5.02133693e-05 -5.02133684e-05 2.66194541e-04] [-5.02133691e-05 5.02133691e-05 2.66194541e-04] [-5.02133692e-05 -5.02133690e-05 2.66194541e-04] [ 5.02133693e-05 5.02133687e-05 2.66194541e-04] [-5.02133684e-05 5.02133690e-05 -2.66194542e-04] [ 5.02133692e-05 -5.02133691e-05 -2.66194541e-04] [-5.02133698e-05 -5.02133695e-05 -2.66194542e-04] [ 5.02133693e-05 5.02133693e-05 -2.66194541e-04] [ 5.02133688e-05 -5.02133691e-05 2.66194541e-04] [-5.02133695e-05 5.02133695e-05 2.66194541e-04] [-5.02133687e-05 -5.02133695e-05 2.66194541e-04] [ 5.02133688e-05 5.02133695e-05 2.66194541e-04] [-5.02133685e-05 5.02133696e-05 -2.66194541e-04] [ 5.02133694e-05 -5.02133692e-05 -2.66194542e-04] [ 4.38621361e-13 1.60343960e-13 9.38499278e-13] [ 6.41242268e-13 7.05729761e-13 3.87268666e-13] [-7.18314297e-13 9.06404199e-05 -1.62409633e-04] [-4.93254743e-13 -9.06404228e-05 -1.62409636e-04] [-6.12881274e-13 9.06404196e-05 1.62409632e-04] [ 3.06938502e-13 -9.06404213e-05 1.62409634e-04] [ 9.06404235e-05 -1.29285471e-12 -1.62409637e-04] [ 9.06404205e-05 8.13992970e-13 1.62409635e-04] [-9.06404245e-05 -1.65366158e-12 -1.62409638e-04] [-9.06404213e-05 3.22564891e-13 1.62409636e-04] [ 1.11324922e-04 1.11324923e-04 1.51545443e-13] [-1.11324920e-04 1.11324925e-04 -8.15719020e-14] [ 1.11324924e-04 -1.11324921e-04 -4.92538302e-13] [-1.11324922e-04 -1.11324923e-04 -7.00545524e-13] [-6.09738822e-13 9.06404197e-05 -1.62409633e-04] [-6.23844292e-13 -9.06404230e-05 -1.62409637e-04] [-1.57007653e-13 9.06404229e-05 1.62409636e-04] [-6.18917678e-13 -9.06404234e-05 1.62409637e-04] [ 9.06404199e-05 -6.07794689e-13 -1.62409633e-04] [ 9.06404210e-05 1.92345055e-13 1.62409634e-04] [-9.06404212e-05 -5.23608934e-13 -1.62409635e-04] [-9.06404221e-05 4.68418707e-15 1.62409635e-04] [ 1.11324922e-04 1.11324921e-04 1.12912349e-12] [-1.11324921e-04 1.11324923e-04 1.06798059e-12] [ 1.11324926e-04 -1.11324918e-04 1.75835967e-12] [-1.11324924e-04 -1.11324921e-04 1.23277170e-12]] Final stress: [ 1.38825765e-06 1.38825765e-06 -2.15322975e-05 -1.69583054e-16 -2.11147528e-16 3.24202898e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.79067002e-03 -2.70434239e-12 -4.85246305e-12] [-4.79067009e-03 -9.72705250e-12 5.32129896e-13] [-4.29103801e-12 -3.32627939e-02 1.83577576e-11] [ 3.85633192e-12 3.32627940e-02 -1.65975567e-12] [-4.53638732e-12 -4.37486158e-12 4.79066999e-03] [ 1.09760812e-11 7.90303933e-12 -4.79067008e-03] [ 4.79067005e-03 -1.22677216e-11 -2.95411164e-12] [-4.79066995e-03 1.19144638e-11 1.75764708e-11] [ 1.47652775e-11 -3.32627939e-02 6.85220488e-13] [-1.63828968e-11 3.32627940e-02 -1.63357523e-12] [ 9.62061507e-12 -1.38942707e-12 4.79067003e-03] [-1.54123186e-11 3.38785903e-12 -4.79067002e-03] [ 7.71291536e-03 1.69357564e-02 7.71291536e-03] [-7.71291534e-03 -1.69357563e-02 7.71291532e-03] [-7.71291533e-03 1.69357563e-02 -7.71291531e-03] [ 7.71291531e-03 -1.69357563e-02 -7.71291535e-03] [ 7.71291533e-03 1.69357563e-02 -7.71291539e-03] [-7.71291531e-03 -1.69357563e-02 -7.71291531e-03] [ 7.71291534e-03 -1.69357563e-02 7.71291536e-03] [-7.71291533e-03 1.69357563e-02 7.71291535e-03] [ 7.71291529e-03 1.69357563e-02 7.71291532e-03] [-7.71291534e-03 -1.69357563e-02 7.71291534e-03] [-7.71291536e-03 1.69357563e-02 -7.71291536e-03] [ 7.71291535e-03 -1.69357563e-02 -7.71291536e-03] [ 7.71291534e-03 1.69357563e-02 -7.71291534e-03] [-7.71291536e-03 -1.69357563e-02 -7.71291536e-03] [ 7.71291533e-03 -1.69357562e-02 7.71291531e-03] [-7.71291535e-03 1.69357563e-02 7.71291534e-03] [ 7.82438281e-11 -6.23462670e-11 8.62507565e-11] [-1.27534270e-10 -5.51837743e-11 -1.46786718e-11] [ 1.34499412e-10 -1.19528919e-02 2.86928822e-02] [-4.44797324e-12 1.19528917e-02 2.86928821e-02] [ 2.65975367e-11 -1.19528919e-02 -2.86928823e-02] [-4.47648377e-11 1.19528919e-02 -2.86928823e-02] [ 1.54818653e-02 -1.65029879e-10 1.54818653e-02] [ 1.54818652e-02 -1.46928346e-10 -1.54818653e-02] [-1.54818652e-02 -5.72580160e-11 1.54818654e-02] [-1.54818650e-02 -7.55612482e-11 -1.54818655e-02] [ 2.86928825e-02 -1.19528921e-02 -7.23164861e-11] [-2.86928824e-02 -1.19528921e-02 1.18030447e-11] [ 2.86928823e-02 1.19528919e-02 -8.33814597e-11] [-2.86928822e-02 1.19528918e-02 9.53557025e-12] [-6.30419428e-11 -1.19528920e-02 2.86928822e-02] [-3.05483299e-11 1.19528922e-02 2.86928825e-02] [-6.56736818e-13 -1.19528919e-02 -2.86928822e-02] [ 1.26241582e-11 1.19528921e-02 -2.86928824e-02] [ 1.54818653e-02 4.44611352e-11 1.54818653e-02] [ 1.54818653e-02 9.66447968e-11 -1.54818653e-02] [-1.54818653e-02 3.14883636e-11 1.54818653e-02] [-1.54818655e-02 3.81213082e-11 -1.54818651e-02] [ 2.86928821e-02 -1.19528918e-02 1.15904748e-10] [-2.86928821e-02 -1.19528918e-02 6.22477730e-11] [ 2.86928821e-02 1.19528918e-02 6.53092103e-11] [-2.86928823e-02 1.19528920e-02 4.06592945e-11]] Final stress: [-6.56358558e-04 4.33046504e-04 -6.56358558e-04 7.99653934e-16 -1.18235733e-14 7.20436657e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.34648558e-02 -2.98219175e-12 4.71317516e-12] [-5.34648558e-02 -8.55088222e-12 1.94028127e-12] [-7.39196031e-14 2.70819807e-03 1.85243314e-12] [ 6.81205092e-13 -2.70819805e-03 6.29224450e-12] [ 8.55960268e-14 -4.56976124e-12 -4.52465422e-02] [-2.28567165e-13 -5.23564525e-12 4.52465422e-02] [ 5.34648558e-02 -6.32909610e-12 -3.23068790e-12] [-5.34648558e-02 -1.58077674e-12 -3.59726836e-12] [-3.24996800e-12 2.70819806e-03 -7.25237287e-13] [-7.09311082e-14 -2.70819806e-03 -4.07829535e-12] [ 4.24491822e-12 -3.10553137e-12 -4.52465422e-02] [-1.86629878e-12 -2.76066050e-12 4.52465422e-02] [ 6.17946896e-03 -8.46055406e-04 -6.11469283e-03] [-6.17946897e-03 8.46055403e-04 -6.11469282e-03] [-6.17946896e-03 -8.46055404e-04 6.11469283e-03] [ 6.17946896e-03 8.46055409e-04 6.11469282e-03] [ 6.17946895e-03 -8.46055409e-04 6.11469283e-03] [-6.17946896e-03 8.46055409e-04 6.11469282e-03] [ 6.17946896e-03 8.46055403e-04 -6.11469282e-03] [-6.17946896e-03 -8.46055402e-04 -6.11469283e-03] [ 6.17946896e-03 -8.46055399e-04 -6.11469283e-03] [-6.17946896e-03 8.46055410e-04 -6.11469284e-03] [-6.17946896e-03 -8.46055405e-04 6.11469282e-03] [ 6.17946896e-03 8.46055405e-04 6.11469282e-03] [ 6.17946897e-03 -8.46055391e-04 6.11469282e-03] [-6.17946896e-03 8.46055406e-04 6.11469282e-03] [ 6.17946896e-03 8.46055411e-04 -6.11469283e-03] [-6.17946896e-03 -8.46055405e-04 -6.11469284e-03] [-8.43389247e-12 -1.69435854e-11 2.36289877e-11] [ 2.02503292e-12 6.02204161e-12 -1.53427784e-11] [ 1.04514175e-11 -2.19397970e-03 4.06509770e-03] [-6.02552730e-13 2.19397971e-03 4.06509770e-03] [ 2.83971804e-12 -2.19397971e-03 -4.06509769e-03] [-5.04481353e-12 2.19397973e-03 -4.06509770e-03] [-7.27665107e-03 -1.37221345e-11 5.16007565e-03] [-7.27665108e-03 -1.04612586e-11 -5.16007564e-03] [ 7.27665107e-03 -1.77267524e-11 5.16007565e-03] [ 7.27665109e-03 7.74236578e-13 -5.16007565e-03] [-1.81494535e-03 4.52567977e-03 -1.16540111e-11] [ 1.81494537e-03 4.52567979e-03 9.53280163e-12] [-1.81494533e-03 -4.52567976e-03 -1.77654107e-11] [ 1.81494535e-03 -4.52567978e-03 5.17247183e-12] [-2.05860550e-11 -2.19397974e-03 4.06509773e-03] [-1.13515031e-11 2.19397974e-03 4.06509771e-03] [-4.37341786e-12 -2.19397973e-03 -4.06509771e-03] [-5.04076208e-12 2.19397975e-03 -4.06509771e-03] [-7.27665107e-03 -9.11126129e-12 5.16007564e-03] [-7.27665107e-03 -1.03176313e-11 -5.16007563e-03] [ 7.27665107e-03 -1.42318557e-11 5.16007563e-03] [ 7.27665105e-03 -1.48267375e-11 -5.16007561e-03] [-1.81494536e-03 4.52567978e-03 -3.23597543e-12] [ 1.81494537e-03 4.52567978e-03 1.15558159e-12] [-1.81494536e-03 -4.52567978e-03 3.50842692e-12] [ 1.81494535e-03 -4.52567977e-03 -1.03016250e-12]] Final stress: [-4.38272270e-04 -3.98326543e-06 3.98460642e-04 -2.44724501e-15 5.22367107e-15 -9.39329775e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.52759963e-02 -5.01419522e-12 -1.09927128e-12] [ 4.52759963e-02 -2.48967513e-13 2.17842411e-12] [ 7.07143502e-12 2.71003894e-03 -1.57632067e-12] [ 8.40996717e-12 -2.71003893e-03 5.36654055e-13] [ 9.51431425e-12 8.12381846e-13 5.35020216e-02] [ 1.27882982e-11 2.51770826e-13 -5.35020216e-02] [-4.52759963e-02 -3.36696252e-12 -2.87009952e-12] [ 4.52759963e-02 -2.52304254e-12 2.28587703e-12] [-4.68379979e-12 2.71003896e-03 6.62816149e-12] [ 2.00416420e-12 -2.71003894e-03 1.41962477e-12] [ 1.19054246e-12 -2.01559533e-12 5.35020216e-02] [-2.94339986e-12 -3.20866373e-12 -5.35020216e-02] [-6.11948155e-03 -8.47002884e-04 6.18461838e-03] [ 6.11948155e-03 8.47002887e-04 6.18461838e-03] [ 6.11948155e-03 -8.47002894e-04 -6.18461840e-03] [-6.11948155e-03 8.47002891e-04 -6.18461839e-03] [-6.11948155e-03 -8.47002891e-04 -6.18461839e-03] [ 6.11948155e-03 8.47002891e-04 -6.18461840e-03] [-6.11948155e-03 8.47002885e-04 6.18461838e-03] [ 6.11948155e-03 -8.47002885e-04 6.18461838e-03] [-6.11948156e-03 -8.47002891e-04 6.18461839e-03] [ 6.11948154e-03 8.47002887e-04 6.18461839e-03] [ 6.11948155e-03 -8.47002891e-04 -6.18461839e-03] [-6.11948156e-03 8.47002886e-04 -6.18461839e-03] [-6.11948155e-03 -8.47002898e-04 -6.18461839e-03] [ 6.11948155e-03 8.47002888e-04 -6.18461839e-03] [-6.11948155e-03 8.47002882e-04 6.18461839e-03] [ 6.11948154e-03 -8.47002882e-04 6.18461839e-03] [ 8.48615622e-12 3.71180864e-12 -5.15495979e-12] [-3.46186187e-12 -4.83878302e-12 -5.84092092e-12] [-4.37061498e-12 4.54125998e-03 -1.82715589e-03] [-4.97890097e-12 -4.54125997e-03 -1.82715587e-03] [-1.19937948e-11 4.54125998e-03 1.82715589e-03] [-3.75299791e-12 -4.54125995e-03 1.82715587e-03] [ 5.18611710e-03 -2.08799644e-12 -7.30387290e-03] [ 5.18611709e-03 1.59578548e-11 7.30387290e-03] [-5.18611710e-03 -2.09526650e-11 -7.30387292e-03] [-5.18611709e-03 -4.37545486e-12 7.30387291e-03] [ 4.08094076e-03 -2.20402053e-03 6.01219075e-12] [-4.08094075e-03 -2.20402054e-03 5.95680623e-12] [ 4.08094076e-03 2.20402055e-03 4.17490174e-12] [-4.08094076e-03 2.20402055e-03 -6.03231180e-12] [ 1.76943746e-12 4.54125997e-03 -1.82715587e-03] [-7.92673783e-12 -4.54125998e-03 -1.82715589e-03] [-3.31594214e-12 4.54125999e-03 1.82715589e-03] [-9.82671540e-12 -4.54125997e-03 1.82715588e-03] [ 5.18611710e-03 -9.67544181e-12 -7.30387290e-03] [ 5.18611709e-03 -9.66347488e-12 7.30387291e-03] [-5.18611710e-03 -9.36224666e-12 -7.30387290e-03] [-5.18611708e-03 -1.12142361e-11 7.30387290e-03] [ 4.08094078e-03 -2.20402057e-03 3.91420987e-12] [-4.08094079e-03 -2.20402055e-03 -1.91546696e-13] [ 4.08094078e-03 2.20402057e-03 6.81069369e-12] [-4.08094076e-03 2.20402053e-03 -1.43312705e-12]] Final stress: [ 3.98629444e-04 -4.00707484e-06 -4.38525458e-04 1.74399457e-15 -6.99925372e-15 -6.64513471e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.52885405e-04 7.13812690e-14 5.36081596e-14] [ 5.52885404e-04 -1.40526479e-13 -5.63993297e-14] [ 2.20797772e-13 9.06076168e-06 -2.09736742e-13] [-1.65950587e-13 -9.06076055e-06 -5.88612492e-13] [-6.11320890e-14 -4.73460680e-13 -5.52885404e-04] [ 3.68982622e-13 1.29618538e-13 5.52885404e-04] [-5.52885403e-04 4.23491103e-13 8.77516785e-14] [ 5.52885404e-04 1.85309233e-13 5.11614059e-13] [-1.01008611e-14 9.06076077e-06 4.63604563e-14] [ 5.64062685e-14 -9.06075978e-06 2.53866812e-13] [ 4.01328276e-14 3.80746063e-13 -5.52885405e-04] [-3.68889381e-13 1.21587901e-13 5.52885403e-04] [-5.05653078e-05 -2.66060442e-04 -5.05653084e-05] [ 5.05653090e-05 2.66060443e-04 -5.05653077e-05] [ 5.05653077e-05 -2.66060443e-04 5.05653074e-05] [-5.05653073e-05 2.66060442e-04 5.05653075e-05] [-5.05653072e-05 -2.66060442e-04 5.05653071e-05] [ 5.05653079e-05 2.66060442e-04 5.05653080e-05] [-5.05653075e-05 2.66060442e-04 -5.05653078e-05] [ 5.05653086e-05 -2.66060443e-04 -5.05653084e-05] [-5.05653079e-05 -2.66060442e-04 -5.05653081e-05] [ 5.05653077e-05 2.66060442e-04 -5.05653072e-05] [ 5.05653082e-05 -2.66060442e-04 5.05653073e-05] [-5.05653090e-05 2.66060443e-04 5.05653082e-05] [-5.05653076e-05 -2.66060442e-04 5.05653082e-05] [ 5.05653082e-05 2.66060442e-04 5.05653080e-05] [-5.05653078e-05 2.66060443e-04 -5.05653079e-05] [ 5.05653074e-05 -2.66060442e-04 -5.05653074e-05] [ 9.24482713e-13 -2.05616080e-12 -7.96779309e-13] [-1.31567673e-12 -4.75173242e-13 2.02389936e-12] [-1.68010050e-12 -1.64318873e-04 9.58592036e-05] [ 3.95971450e-13 1.64318869e-04 9.58592002e-05] [-2.29931005e-12 -1.64318873e-04 -9.58592038e-05] [-9.77298104e-13 1.64318873e-04 -9.58592038e-05] [ 1.12428258e-04 -9.06497100e-13 1.12428256e-04] [ 1.12428262e-04 -6.72411779e-13 -1.12428254e-04] [-1.12428260e-04 -1.56476741e-12 1.12428255e-04] [-1.12428262e-04 -1.25871709e-12 -1.12428255e-04] [ 9.58591966e-05 -1.64318865e-04 4.97601960e-13] [-9.58591990e-05 -1.64318868e-04 6.58384805e-13] [ 9.58591977e-05 1.64318865e-04 6.14640283e-13] [-9.58592010e-05 1.64318869e-04 7.11982556e-13] [ 6.33336265e-13 -1.64318866e-04 9.58591974e-05] [ 5.81056037e-13 1.64318865e-04 9.58591969e-05] [ 1.30928471e-12 -1.64318868e-04 -9.58591986e-05] [ 6.16204136e-13 1.64318868e-04 -9.58591993e-05] [ 1.12428256e-04 -1.51315693e-12 1.12428259e-04] [ 1.12428257e-04 3.89373863e-14 -1.12428257e-04] [-1.12428254e-04 -5.33559308e-13 1.12428263e-04] [-1.12428255e-04 1.69570391e-12 -1.12428261e-04] [ 9.58592012e-05 -1.64318870e-04 1.58377641e-12] [-9.58592018e-05 -1.64318870e-04 5.42014045e-14] [ 9.58592054e-05 1.64318874e-04 -2.14292973e-13] [-9.58592040e-05 1.64318872e-04 -1.44467207e-12]] Final stress: [ 1.34021169e-06 -2.15574703e-05 1.34021169e-06 -2.41073950e-16 -1.61270159e-16 4.90460794e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.39733393e-04 9.11232895e-14 1.06371509e-13] [-4.39733392e-04 1.49880108e-15 -3.06699111e-13] [ 8.60206004e-15 2.01893831e-05 -9.08245815e-05] [-1.38777878e-14 -2.01893829e-05 9.08245819e-05] [ 2.08665550e-14 -9.08245817e-05 2.01893826e-05] [ 1.44356749e-13 9.08245820e-05 -2.01893836e-05] [ 4.39733393e-04 1.51271790e-13 -1.60854112e-13] [-4.39733392e-04 -1.50279528e-13 -5.61553981e-14] [ 5.81067312e-14 2.01893836e-05 -9.08245820e-05] [-4.13948389e-15 -2.01893833e-05 9.08245818e-05] [-7.33228582e-14 -9.08245819e-05 2.01893834e-05] [-2.87519140e-13 9.08245818e-05 -2.01893830e-05] [ 2.02413785e-04 1.41964848e-04 1.41964848e-04] [ 3.21687262e-04 -1.40854836e-04 1.40854836e-04] [ 3.21687262e-04 1.40854836e-04 -1.40854836e-04] [ 2.02413785e-04 -1.41964848e-04 -1.41964848e-04] [-3.21687262e-04 1.40854836e-04 -1.40854836e-04] [-2.02413785e-04 -1.41964848e-04 -1.41964848e-04] [-3.21687261e-04 -1.40854836e-04 1.40854836e-04] [-2.02413785e-04 1.41964848e-04 1.41964848e-04] [ 2.02413785e-04 1.41964849e-04 1.41964849e-04] [ 3.21687262e-04 -1.40854836e-04 1.40854836e-04] [ 3.21687262e-04 1.40854836e-04 -1.40854836e-04] [ 2.02413785e-04 -1.41964848e-04 -1.41964848e-04] [-3.21687261e-04 1.40854836e-04 -1.40854836e-04] [-2.02413785e-04 -1.41964848e-04 -1.41964848e-04] [-3.21687262e-04 -1.40854836e-04 1.40854836e-04] [-2.02413785e-04 1.41964848e-04 1.41964848e-04] [-5.58858515e-13 -5.15698595e-14 5.44675416e-13] [-5.67886016e-13 5.71241597e-13 -5.65673814e-13] [-4.71955808e-13 5.77543395e-04 5.77543395e-04] [ 5.11951592e-13 1.22395366e-04 -1.22395367e-04] [-8.85380311e-13 -1.22395367e-04 1.22395366e-04] [-5.00008021e-13 -5.77543395e-04 -5.77543395e-04] [ 6.02675779e-05 3.03235530e-04 4.74413673e-05] [ 6.02675763e-05 -3.03235530e-04 -4.74413681e-05] [-6.02675794e-05 3.03235530e-04 4.74413659e-05] [-6.02675775e-05 -3.03235530e-04 -4.74413673e-05] [ 6.02675777e-05 4.74413674e-05 3.03235529e-04] [-6.02675777e-05 4.74413671e-05 3.03235530e-04] [ 6.02675783e-05 -4.74413669e-05 -3.03235530e-04] [-6.02675781e-05 -4.74413668e-05 -3.03235530e-04] [ 1.60393834e-13 5.77543395e-04 5.77543396e-04] [-5.24081646e-14 1.22395367e-04 -1.22395366e-04] [ 1.82357601e-13 -1.22395366e-04 1.22395367e-04] [ 5.42929417e-13 -5.77543396e-04 -5.77543395e-04] [ 6.02675781e-05 3.03235530e-04 4.74413670e-05] [ 6.02675778e-05 -3.03235530e-04 -4.74413676e-05] [-6.02675775e-05 3.03235530e-04 4.74413676e-05] [-6.02675786e-05 -3.03235529e-04 -4.74413672e-05] [ 6.02675780e-05 4.74413668e-05 3.03235531e-04] [-6.02675774e-05 4.74413679e-05 3.03235530e-04] [ 6.02675789e-05 -4.74413662e-05 -3.03235529e-04] [-6.02675775e-05 -4.74413683e-05 -3.03235529e-04]] Final stress: [-1.48977426e-05 7.54529926e-06 7.54529926e-06 5.66504035e-06 4.93764396e-16 3.40813809e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.42222177e-04 -1.23831934e-13 -1.65480043e-13] [-4.42222178e-04 -1.26260113e-13 -2.31759056e-14] [ 1.22144916e-13 2.84573909e-05 9.31738372e-05] [ 5.16808818e-14 -2.84573896e-05 -9.31738371e-05] [-6.13259443e-14 9.31738372e-05 2.84573905e-05] [-8.22952817e-14 -9.31738376e-05 -2.84573901e-05] [ 4.42222178e-04 3.68237992e-13 7.66783356e-14] [-4.42222177e-04 1.84510827e-13 -2.70177157e-13] [ 1.01447063e-13 2.84573905e-05 9.31738373e-05] [-1.00106555e-14 -2.84573904e-05 -9.31738375e-05] [-9.01102110e-15 9.31738374e-05 2.84573897e-05] [ 2.16513873e-13 -9.31738373e-05 -2.84573911e-05] [-3.24255801e-04 1.36767137e-04 1.36767137e-04] [-2.01888666e-04 -1.44875580e-04 1.44875579e-04] [-2.01888667e-04 1.44875580e-04 -1.44875579e-04] [-3.24255801e-04 -1.36767137e-04 -1.36767137e-04] [ 2.01888667e-04 1.44875580e-04 -1.44875580e-04] [ 3.24255801e-04 -1.36767137e-04 -1.36767137e-04] [ 2.01888666e-04 -1.44875579e-04 1.44875580e-04] [ 3.24255801e-04 1.36767136e-04 1.36767136e-04] [-3.24255801e-04 1.36767137e-04 1.36767136e-04] [-2.01888667e-04 -1.44875580e-04 1.44875580e-04] [-2.01888667e-04 1.44875580e-04 -1.44875580e-04] [-3.24255802e-04 -1.36767136e-04 -1.36767136e-04] [ 2.01888666e-04 1.44875580e-04 -1.44875580e-04] [ 3.24255801e-04 -1.36767137e-04 -1.36767136e-04] [ 2.01888667e-04 -1.44875579e-04 1.44875580e-04] [ 3.24255801e-04 1.36767137e-04 1.36767137e-04] [ 4.94881913e-13 -1.40001899e-12 -5.39818190e-13] [-8.78540730e-13 1.94583617e-13 1.18312683e-12] [-4.33209024e-13 -1.26788483e-04 -1.26788486e-04] [-4.29694474e-13 -5.80615092e-04 5.80615092e-04] [ 1.10477599e-13 5.80615092e-04 -5.80615091e-04] [ 2.33840725e-15 1.26788484e-04 1.26788484e-04] [ 6.24692983e-05 -2.94625635e-04 4.26554844e-05] [ 6.24692979e-05 2.94625636e-04 -4.26554847e-05] [-6.24692988e-05 -2.94625635e-04 4.26554837e-05] [-6.24692980e-05 2.94625636e-04 -4.26554844e-05] [ 6.24692993e-05 4.26554829e-05 -2.94625635e-04] [-6.24692996e-05 4.26554830e-05 -2.94625636e-04] [ 6.24693001e-05 -4.26554827e-05 2.94625636e-04] [-6.24693003e-05 -4.26554824e-05 2.94625636e-04] [ 1.13024607e-13 -1.26788485e-04 -1.26788483e-04] [ 4.22244704e-13 -5.80615091e-04 5.80615093e-04] [ 7.30801704e-13 5.80615091e-04 -5.80615093e-04] [ 8.37377043e-14 1.26788484e-04 1.26788484e-04] [ 6.24692997e-05 -2.94625636e-04 4.26554829e-05] [ 6.24693000e-05 2.94625635e-04 -4.26554828e-05] [-6.24693000e-05 -2.94625636e-04 4.26554829e-05] [-6.24692997e-05 2.94625635e-04 -4.26554832e-05] [ 6.24692992e-05 4.26554836e-05 -2.94625635e-04] [-6.24692988e-05 4.26554840e-05 -2.94625635e-04] [ 6.24692979e-05 -4.26554848e-05 2.94625636e-04] [-6.24692975e-05 -4.26554847e-05 2.94625636e-04]] Final stress: [-1.48744490e-05 7.56971336e-06 7.56971335e-06 -5.63477774e-06 -2.06150791e-16 3.09226187e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.40703624e-04 -1.93329294e-13 1.19307775e-13] [ 4.40703623e-04 2.83106871e-14 2.72004641e-15] [-6.11082365e-14 -5.75239874e-06 -6.53295852e-05] [-2.05280237e-13 5.75239919e-06 6.53295850e-05] [ 5.58164626e-14 -6.53295847e-05 -5.75239909e-06] [ 5.14865928e-14 6.53295850e-05 5.75239845e-06] [-4.40703623e-04 1.69253500e-13 -1.42286685e-13] [ 4.40703624e-04 -2.27374543e-14 -6.69103210e-14] [-1.09468424e-13 -5.75239793e-06 -6.53295848e-05] [ 6.91057454e-14 5.75239888e-06 6.53295847e-05] [ 5.71326840e-14 -6.53295848e-05 -5.75239867e-06] [-5.61694788e-14 6.53295852e-05 5.75239872e-06] [ 3.16432192e-04 -1.63760389e-04 -1.63760389e-04] [ 2.17050540e-04 1.32894286e-04 -1.32894287e-04] [ 2.17050540e-04 -1.32894286e-04 1.32894286e-04] [ 3.16432192e-04 1.63760389e-04 1.63760389e-04] [-2.17050540e-04 -1.32894286e-04 1.32894286e-04] [-3.16432192e-04 1.63760389e-04 1.63760389e-04] [-2.17050540e-04 1.32894286e-04 -1.32894286e-04] [-3.16432192e-04 -1.63760389e-04 -1.63760389e-04] [ 3.16432192e-04 -1.63760389e-04 -1.63760389e-04] [ 2.17050540e-04 1.32894287e-04 -1.32894286e-04] [ 2.17050540e-04 -1.32894286e-04 1.32894286e-04] [ 3.16432191e-04 1.63760389e-04 1.63760389e-04] [-2.17050540e-04 -1.32894287e-04 1.32894286e-04] [-3.16432192e-04 1.63760388e-04 1.63760388e-04] [-2.17050540e-04 1.32894287e-04 -1.32894286e-04] [-3.16432192e-04 -1.63760388e-04 -1.63760388e-04] [ 1.22790667e-12 -1.87821980e-13 5.17058618e-13] [-4.93830671e-13 -5.17087117e-13 4.91970203e-13] [ 2.59348099e-13 1.00654527e-04 1.00654523e-04] [ 4.77187734e-13 5.67788930e-04 -5.67788931e-04] [ 3.73050549e-13 -5.67788931e-04 5.67788931e-04] [ 2.21664700e-13 -1.00654525e-04 -1.00654525e-04] [-5.82566502e-05 3.32073562e-04 -6.78258474e-05] [-5.82566497e-05 -3.32073563e-04 6.78258476e-05] [ 5.82566506e-05 3.32073562e-04 -6.78258469e-05] [ 5.82566499e-05 -3.32073563e-04 6.78258474e-05] [-5.82566474e-05 -6.78258495e-05 3.32073564e-04] [ 5.82566490e-05 -6.78258484e-05 3.32073564e-04] [-5.82566482e-05 6.78258487e-05 -3.32073563e-04] [ 5.82566495e-05 6.78258477e-05 -3.32073564e-04] [-3.94375938e-13 1.00654525e-04 1.00654526e-04] [-2.02750143e-13 5.67788931e-04 -5.67788930e-04] [-3.39809344e-13 -5.67788931e-04 5.67788931e-04] [-3.07230370e-13 -1.00654523e-04 -1.00654528e-04] [-5.82566497e-05 3.32073563e-04 -6.78258471e-05] [-5.82566488e-05 -3.32073564e-04 6.78258478e-05] [ 5.82566486e-05 3.32073563e-04 -6.78258484e-05] [ 5.82566481e-05 -3.32073564e-04 6.78258492e-05] [-5.82566497e-05 -6.78258475e-05 3.32073563e-04] [ 5.82566498e-05 -6.78258476e-05 3.32073563e-04] [-5.82566500e-05 6.78258467e-05 -3.32073562e-04] [ 5.82566494e-05 6.78258477e-05 -3.32073562e-04]] Final stress: [ 1.47230391e-05 -7.54646745e-06 -7.54646745e-06 5.93639618e-06 1.71243141e-16 -8.14651837e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.42266447e-04 -3.57448446e-14 3.88903319e-14] [ 4.42266446e-04 6.77513601e-14 -3.55271368e-14] [ 1.42297198e-13 -9.87889619e-06 6.62567432e-05] [ 6.30051566e-14 9.87889612e-06 -6.62567434e-05] [-1.04636785e-13 6.62567434e-05 -9.87889634e-06] [ 2.29732899e-13 -6.62567434e-05 9.87889553e-06] [-4.42266446e-04 1.63977339e-13 -2.15795275e-13] [ 4.42266447e-04 -4.48222189e-14 -7.23867137e-14] [-9.56808417e-14 -9.87889616e-06 6.62567431e-05] [-1.44005901e-13 9.87889637e-06 -6.62567431e-05] [ 7.46091557e-14 6.62567436e-05 -9.87889693e-06] [-4.30181498e-13 -6.62567433e-05 9.87889610e-06] [-2.16878996e-04 -1.34192428e-04 -1.34192428e-04] [-3.17817462e-04 1.61891606e-04 -1.61891606e-04] [-3.17817463e-04 -1.61891606e-04 1.61891606e-04] [-2.16878996e-04 1.34192428e-04 1.34192428e-04] [ 3.17817463e-04 -1.61891605e-04 1.61891605e-04] [ 2.16878997e-04 1.34192429e-04 1.34192429e-04] [ 3.17817463e-04 1.61891605e-04 -1.61891606e-04] [ 2.16878997e-04 -1.34192429e-04 -1.34192429e-04] [-2.16878997e-04 -1.34192429e-04 -1.34192429e-04] [-3.17817463e-04 1.61891606e-04 -1.61891606e-04] [-3.17817462e-04 -1.61891605e-04 1.61891605e-04] [-2.16878997e-04 1.34192429e-04 1.34192428e-04] [ 3.17817463e-04 -1.61891606e-04 1.61891606e-04] [ 2.16878996e-04 1.34192428e-04 1.34192428e-04] [ 3.17817463e-04 1.61891606e-04 -1.61891606e-04] [ 2.16878996e-04 -1.34192428e-04 -1.34192429e-04] [ 1.01374464e-12 -2.21211938e-14 6.28497254e-13] [-9.68346930e-13 -1.68683069e-13 8.43160578e-13] [-6.83897383e-14 -5.69084410e-04 -5.69084413e-04] [-3.71237763e-13 -1.02836973e-04 1.02836969e-04] [-1.37723166e-12 1.02836970e-04 -1.02836972e-04] [-1.03447632e-12 5.69084412e-04 5.69084411e-04] [-6.01448552e-05 -3.28109089e-04 -6.46237624e-05] [-6.01448560e-05 3.28109088e-04 6.46237616e-05] [ 6.01448524e-05 -3.28109088e-04 -6.46237651e-05] [ 6.01448552e-05 3.28109088e-04 6.46237630e-05] [-6.01448536e-05 -6.46237637e-05 -3.28109091e-04] [ 6.01448520e-05 -6.46237659e-05 -3.28109089e-04] [-6.01448538e-05 6.46237633e-05 3.28109088e-04] [ 6.01448526e-05 6.46237651e-05 3.28109089e-04] [ 7.96459253e-13 -5.69084412e-04 -5.69084411e-04] [ 7.25404112e-13 -1.02836968e-04 1.02836973e-04] [ 1.13981394e-12 1.02836971e-04 -1.02836971e-04] [ 1.86669343e-12 5.69084411e-04 5.69084412e-04] [-6.01448533e-05 -3.28109089e-04 -6.46237646e-05] [-6.01448514e-05 3.28109089e-04 6.46237663e-05] [ 6.01448554e-05 -3.28109089e-04 -6.46237622e-05] [ 6.01448521e-05 3.28109089e-04 6.46237655e-05] [-6.01448540e-05 -6.46237642e-05 -3.28109087e-04] [ 6.01448561e-05 -6.46237619e-05 -3.28109088e-04] [-6.01448539e-05 6.46237641e-05 3.28109090e-04] [ 6.01448545e-05 6.46237630e-05 3.28109089e-04]] Final stress: [ 1.47141050e-05 -7.56121933e-06 -7.56121933e-06 -5.92422297e-06 -6.65021908e-18 2.54370880e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.37750840e-04 1.82492910e-14 -8.57096067e-05] [-4.37750840e-04 1.42108547e-14 8.57096067e-05] [-1.36249519e-14 1.17797040e-05 2.64250427e-14] [-5.59829960e-14 -1.17797037e-05 1.50407464e-13] [-8.55443402e-05 9.07694059e-16 1.22195532e-05] [ 8.55443397e-05 8.99280650e-14 -1.22195544e-05] [ 4.37750839e-04 -5.28080184e-14 -8.57096064e-05] [-4.37750839e-04 -6.76975836e-16 8.57096067e-05] [ 1.58511225e-13 1.17797045e-05 -2.27987406e-13] [ 1.06985167e-13 -1.17797043e-05 -1.05028142e-13] [-8.55443399e-05 -8.74013553e-14 1.22195532e-05] [ 8.55443401e-05 6.44052869e-14 -1.22195534e-05] [-6.13915375e-05 4.03907276e-04 1.38237900e-04] [ 5.45086967e-05 1.20414007e-04 1.45634863e-04] [ 6.13915376e-05 4.03907276e-04 -1.38237900e-04] [-5.45086968e-05 1.20414007e-04 -1.45634863e-04] [-5.45086973e-05 -1.20414007e-04 -1.45634864e-04] [ 6.13915373e-05 -4.03907275e-04 -1.38237900e-04] [-6.13915372e-05 -4.03907276e-04 1.38237900e-04] [ 5.45086968e-05 -1.20414007e-04 1.45634863e-04] [-6.13915378e-05 4.03907276e-04 1.38237900e-04] [ 5.45086971e-05 1.20414007e-04 1.45634864e-04] [ 6.13915373e-05 4.03907276e-04 -1.38237900e-04] [-5.45086964e-05 1.20414008e-04 -1.45634863e-04] [-5.45086965e-05 -1.20414008e-04 -1.45634864e-04] [ 6.13915373e-05 -4.03907276e-04 -1.38237900e-04] [-6.13915373e-05 -4.03907275e-04 1.38237900e-04] [ 5.45086972e-05 -1.20414008e-04 1.45634864e-04] [ 4.15167900e-13 -2.67008637e-13 1.10375598e-12] [-1.63047961e-13 5.91998471e-13 -2.48942669e-13] [ 3.12749580e-04 2.27982059e-04 2.28099020e-04] [ 3.12749580e-04 -2.27982060e-04 2.28099019e-04] [-3.12749580e-04 2.27982059e-04 -2.28099020e-04] [-3.12749580e-04 -2.27982059e-04 -2.28099020e-04] [ 4.02800613e-04 -1.03794751e-12 3.99986763e-04] [-2.90044397e-04 -7.16249976e-13 2.92796176e-04] [ 2.90044395e-04 -9.02784791e-13 -2.92796176e-04] [-4.02800612e-04 -6.41155531e-13 -3.99986763e-04] [ 5.63616301e-05 5.34623447e-05 3.12256536e-04] [-5.63616299e-05 5.34623453e-05 -3.12256536e-04] [ 5.63616286e-05 -5.34623462e-05 3.12256536e-04] [-5.63616291e-05 -5.34623460e-05 -3.12256537e-04] [ 3.12749580e-04 2.27982062e-04 2.28099017e-04] [ 3.12749580e-04 -2.27982060e-04 2.28099019e-04] [-3.12749579e-04 2.27982062e-04 -2.28099016e-04] [-3.12749580e-04 -2.27982061e-04 -2.28099019e-04] [ 4.02800611e-04 1.16344617e-13 3.99986764e-04] [-2.90044398e-04 -1.57920118e-13 2.92796173e-04] [ 2.90044398e-04 2.83681065e-13 -2.92796173e-04] [-4.02800611e-04 3.17840806e-13 -3.99986764e-04] [ 5.63616308e-05 5.34623437e-05 3.12256537e-04] [-5.63616302e-05 5.34623440e-05 -3.12256536e-04] [ 5.63616319e-05 -5.34623429e-05 3.12256537e-04] [-5.63616316e-05 -5.34623431e-05 -3.12256536e-04]] Final stress: [-1.49059768e-05 7.51849377e-06 7.52298052e-06 -5.81877234e-16 5.71112195e-06 1.79550689e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.37507293e-04 -3.84176198e-14 8.55124305e-05] [-4.37507294e-04 -7.55229213e-14 -8.55124306e-05] [ 2.37475838e-13 1.13544982e-05 7.17221421e-15] [ 1.27037270e-13 -1.13544974e-05 1.14547261e-13] [ 8.53477591e-05 2.19151086e-13 1.17944451e-05] [-8.53477590e-05 -1.41081591e-13 -1.17944460e-05] [ 4.37507294e-04 2.33143799e-13 8.55124306e-05] [-4.37507293e-04 -1.10540917e-13 -8.55124304e-05] [-1.61509261e-13 1.13544975e-05 -1.03229526e-13] [ 7.00667822e-14 -1.13544977e-05 -1.05287124e-13] [ 8.53477588e-05 2.00546585e-13 1.17944457e-05] [-8.53477592e-05 1.03743143e-13 -1.17944458e-05] [-5.41720026e-05 -1.20343153e-04 1.45877588e-04] [ 6.14962680e-05 -4.03880150e-04 1.38039186e-04] [ 5.41720028e-05 -1.20343154e-04 -1.45877587e-04] [-6.14962679e-05 -4.03880150e-04 -1.38039187e-04] [-6.14962684e-05 4.03880151e-04 -1.38039187e-04] [ 5.41720027e-05 1.20343154e-04 -1.45877588e-04] [-5.41720023e-05 1.20343153e-04 1.45877588e-04] [ 6.14962683e-05 4.03880150e-04 1.38039186e-04] [-5.41720031e-05 -1.20343153e-04 1.45877587e-04] [ 6.14962684e-05 -4.03880150e-04 1.38039186e-04] [ 5.41720025e-05 -1.20343154e-04 -1.45877588e-04] [-6.14962683e-05 -4.03880150e-04 -1.38039187e-04] [-6.14962680e-05 4.03880151e-04 -1.38039187e-04] [ 5.41720023e-05 1.20343154e-04 -1.45877587e-04] [-5.41720032e-05 1.20343154e-04 1.45877587e-04] [ 6.14962683e-05 4.03880150e-04 1.38039187e-04] [ 1.43662859e-13 -5.95273830e-13 7.33441086e-13] [-7.05419664e-13 3.35586710e-14 -1.79843472e-13] [-3.13230558e-04 2.28095650e-04 2.28212600e-04] [-3.13230557e-04 -2.28095650e-04 2.28212600e-04] [ 3.13230556e-04 2.28095649e-04 -2.28212601e-04] [ 3.13230557e-04 -2.28095649e-04 -2.28212602e-04] [-2.91208014e-04 -4.73399098e-13 -2.91106530e-04] [ 4.01183872e-04 3.16757037e-13 -4.01225837e-04] [-4.01183873e-04 -9.48158219e-13 4.01225835e-04] [ 2.91208013e-04 -8.23837526e-14 2.91106532e-04] [ 5.49714586e-05 5.49267169e-05 -3.12737703e-04] [-5.49714596e-05 5.49267161e-05 3.12737703e-04] [ 5.49714593e-05 -5.49267170e-05 -3.12737703e-04] [-5.49714596e-05 -5.49267162e-05 3.12737703e-04] [-3.13230556e-04 2.28095650e-04 2.28212601e-04] [-3.13230556e-04 -2.28095650e-04 2.28212600e-04] [ 3.13230557e-04 2.28095650e-04 -2.28212600e-04] [ 3.13230557e-04 -2.28095649e-04 -2.28212601e-04] [-2.91208015e-04 -7.46186070e-13 -2.91106530e-04] [ 4.01183874e-04 -6.12163532e-13 -4.01225835e-04] [-4.01183872e-04 5.59339901e-14 4.01225837e-04] [ 2.91208014e-04 -6.14332803e-13 2.91106530e-04] [ 5.49714598e-05 5.49267158e-05 -3.12737703e-04] [-5.49714595e-05 5.49267165e-05 3.12737704e-04] [ 5.49714607e-05 -5.49267146e-05 -3.12737702e-04] [-5.49714591e-05 -5.49267172e-05 3.12737704e-04]] Final stress: [-1.49031410e-05 7.51497483e-06 7.51945960e-06 2.11138311e-16 -5.71339881e-06 4.15626596e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.47396549e-04 -1.70605283e-13 -7.07964937e-05] [ 4.47396550e-04 2.68951528e-14 7.07964941e-05] [ 4.46999208e-14 -2.57590564e-05 1.45329929e-13] [-8.15458812e-14 2.57590572e-05 -1.57762692e-13] [-7.09385241e-05 -3.63771513e-14 -2.53227971e-05] [ 7.09385241e-05 2.68257638e-13 2.53227975e-05] [-4.47396550e-04 1.48820626e-13 -7.07964940e-05] [ 4.47396549e-04 -5.83148980e-14 7.07964939e-05] [-2.19943855e-13 -2.57590567e-05 1.39356450e-13] [-1.17622925e-13 2.57590568e-05 -1.36071714e-13] [-7.09385242e-05 5.80290961e-14 -2.53227974e-05] [ 7.09385242e-05 6.40141299e-14 2.53227973e-05] [ 4.55938443e-05 1.22255285e-04 -1.54611190e-04] [-6.14017709e-05 4.16531930e-04 -1.39281739e-04] [-4.55938444e-05 1.22255285e-04 1.54611190e-04] [ 6.14017712e-05 4.16531930e-04 1.39281739e-04] [ 6.14017712e-05 -4.16531931e-04 1.39281739e-04] [-4.55938443e-05 -1.22255285e-04 1.54611190e-04] [ 4.55938444e-05 -1.22255285e-04 -1.54611190e-04] [-6.14017712e-05 -4.16531930e-04 -1.39281739e-04] [ 4.55938445e-05 1.22255285e-04 -1.54611191e-04] [-6.14017710e-05 4.16531930e-04 -1.39281740e-04] [-4.55938441e-05 1.22255285e-04 1.54611190e-04] [ 6.14017711e-05 4.16531930e-04 1.39281739e-04] [ 6.14017710e-05 -4.16531931e-04 1.39281739e-04] [-4.55938441e-05 -1.22255285e-04 1.54611190e-04] [ 4.55938443e-05 -1.22255285e-04 -1.54611191e-04] [-6.14017710e-05 -4.16531931e-04 -1.39281739e-04] [-2.86021207e-13 -1.28119737e-13 1.74277259e-13] [ 4.00068000e-13 3.01261225e-13 -5.49545905e-14] [ 3.12595765e-04 -2.31742260e-04 -2.31628387e-04] [ 3.12595765e-04 2.31742260e-04 -2.31628387e-04] [-3.12595765e-04 -2.31742260e-04 2.31628388e-04] [-3.12595765e-04 2.31742260e-04 2.31628387e-04] [ 2.77173247e-04 3.38395978e-13 2.87283542e-04] [-4.06899783e-04 4.40592007e-13 3.96841929e-04] [ 4.06899783e-04 -1.05939563e-14 -3.96841929e-04] [-2.77173247e-04 3.53692770e-13 -2.87283543e-04] [-6.48766766e-05 -5.49065126e-05 3.13071297e-04] [ 6.48766768e-05 -5.49065123e-05 -3.13071296e-04] [-6.48766757e-05 5.49065133e-05 3.13071297e-04] [ 6.48766751e-05 5.49065139e-05 -3.13071296e-04] [ 3.12595765e-04 -2.31742259e-04 -2.31628388e-04] [ 3.12595765e-04 2.31742258e-04 -2.31628390e-04] [-3.12595765e-04 -2.31742259e-04 2.31628388e-04] [-3.12595766e-04 2.31742258e-04 2.31628389e-04] [ 2.77173245e-04 -7.41732329e-13 2.87283544e-04] [-4.06899784e-04 -8.61586193e-13 3.96841928e-04] [ 4.06899784e-04 -6.84185781e-13 -3.96841928e-04] [-2.77173244e-04 6.75375554e-14 -2.87283545e-04] [-6.48766745e-05 -5.49065146e-05 3.13071296e-04] [ 6.48766745e-05 -5.49065148e-05 -3.13071296e-04] [-6.48766748e-05 5.49065143e-05 3.13071296e-04] [ 6.48766743e-05 5.49065146e-05 -3.13071297e-04]] Final stress: [ 1.46765215e-05 -7.61589527e-06 -7.61160417e-06 3.79062487e-16 5.88062197e-06 3.04247523e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.44390779e-04 2.92639177e-14 6.75826736e-05] [ 4.44390779e-04 1.01474384e-13 -6.75826736e-05] [ 8.46289185e-14 -1.74742822e-05 -7.80885773e-15] [ 1.07469589e-13 1.74742824e-05 -1.62037050e-13] [ 6.77176313e-05 -9.21732309e-14 -1.70360826e-05] [-6.77176312e-05 7.60225216e-14 1.70360817e-05] [-4.44390779e-04 -2.67254101e-13 6.75826738e-05] [ 4.44390779e-04 1.43109049e-13 -6.75826738e-05] [-2.49702169e-13 -1.74742814e-05 -3.87024114e-13] [-7.32131369e-14 1.74742823e-05 -9.94481502e-14] [ 6.77176309e-05 -3.89608362e-14 -1.70360825e-05] [-6.77176312e-05 -1.48075588e-14 1.70360821e-05] [ 6.34845430e-05 -4.16661099e-04 -1.36232366e-04] [-4.04617788e-05 -1.21260824e-04 -1.58779261e-04] [-6.34845429e-05 -4.16661099e-04 1.36232365e-04] [ 4.04617789e-05 -1.21260823e-04 1.58779261e-04] [ 4.04617791e-05 1.21260824e-04 1.58779261e-04] [-6.34845423e-05 4.16661099e-04 1.36232366e-04] [ 6.34845429e-05 4.16661099e-04 -1.36232366e-04] [-4.04617790e-05 1.21260824e-04 -1.58779260e-04] [ 6.34845430e-05 -4.16661099e-04 -1.36232366e-04] [-4.04617788e-05 -1.21260824e-04 -1.58779260e-04] [-6.34845431e-05 -4.16661099e-04 1.36232366e-04] [ 4.04617792e-05 -1.21260824e-04 1.58779261e-04] [ 4.04617792e-05 1.21260824e-04 1.58779261e-04] [-6.34845433e-05 4.16661099e-04 1.36232366e-04] [ 6.34845429e-05 4.16661099e-04 -1.36232365e-04] [-4.04617787e-05 1.21260823e-04 -1.58779260e-04] [ 3.36591865e-13 2.11969331e-13 3.82277543e-13] [ 3.56722898e-13 -9.76597477e-13 -2.12703882e-13] [-3.20968871e-04 -2.32473144e-04 -2.32360410e-04] [-3.20968871e-04 2.32473144e-04 -2.32360411e-04] [ 3.20968872e-04 -2.32473144e-04 2.32360410e-04] [ 3.20968871e-04 2.32473144e-04 2.32360410e-04] [-3.99377436e-04 3.58602037e-14 -3.99405542e-04] [ 2.77334930e-04 -4.21189125e-13 -2.77340325e-04] [-2.77334930e-04 -3.67667702e-13 2.77340324e-04] [ 3.99377436e-04 -6.94022964e-13 3.99405542e-04] [-6.10349779e-05 -6.11591080e-05 -3.21442058e-04] [ 6.10349787e-05 -6.11591068e-05 3.21442058e-04] [-6.10349781e-05 6.11591075e-05 -3.21442058e-04] [ 6.10349783e-05 6.11591069e-05 3.21442058e-04] [-3.20968870e-04 -2.32473144e-04 -2.32360411e-04] [-3.20968871e-04 2.32473144e-04 -2.32360410e-04] [ 3.20968870e-04 -2.32473144e-04 2.32360410e-04] [ 3.20968870e-04 2.32473144e-04 2.32360410e-04] [-3.99377438e-04 1.35026612e-15 -3.99405540e-04] [ 2.77334931e-04 -5.77088290e-14 -2.77340324e-04] [-2.77334931e-04 -3.17058445e-13 2.77340324e-04] [ 3.99377437e-04 2.04536041e-13 3.99405541e-04] [-6.10349782e-05 -6.11591076e-05 -3.21442058e-04] [ 6.10349780e-05 -6.11591073e-05 3.21442059e-04] [-6.10349774e-05 6.11591082e-05 -3.21442059e-04] [ 6.10349776e-05 6.11591071e-05 3.21442059e-04]] Final stress: [ 1.46922433e-05 -7.58981837e-06 -7.58556071e-06 -1.03078396e-16 -5.91952878e-06 -7.98026289e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.39300013e-04 -8.67260357e-05 4.21615867e-14] [-4.39300012e-04 8.67260356e-05 -9.32032229e-14] [-8.65573654e-05 1.70316726e-05 -2.38862749e-14] [ 8.65573655e-05 -1.70316715e-05 8.97337760e-14] [-6.06632800e-15 2.49722985e-13 1.65928252e-05] [-1.10134124e-13 1.60149671e-14 -1.65928260e-05] [ 4.39300013e-04 -8.67260359e-05 -3.55081112e-13] [-4.39300012e-04 8.67260358e-05 -4.50315126e-14] [-8.65573651e-05 1.70316729e-05 -1.27425245e-13] [ 8.65573650e-05 -1.70316723e-05 -1.92601572e-13] [ 4.80926063e-14 -1.30663570e-13 1.65928248e-05] [-7.67432992e-14 1.27992953e-13 -1.65928260e-05] [-6.03901643e-05 1.39831222e-04 4.04392090e-04] [ 6.03901641e-05 -1.39831222e-04 4.04392090e-04] [ 5.73717624e-05 1.43363807e-04 1.21574056e-04] [-5.73717625e-05 -1.43363807e-04 1.21574055e-04] [-6.03901640e-05 1.39831222e-04 -4.04392090e-04] [ 6.03901640e-05 -1.39831222e-04 -4.04392090e-04] [-5.73717622e-05 -1.43363807e-04 -1.21574056e-04] [ 5.73717624e-05 1.43363807e-04 -1.21574056e-04] [-6.03901644e-05 1.39831223e-04 4.04392090e-04] [ 6.03901646e-05 -1.39831222e-04 4.04392090e-04] [ 5.73717621e-05 1.43363807e-04 1.21574055e-04] [-5.73717621e-05 -1.43363806e-04 1.21574056e-04] [-6.03901641e-05 1.39831222e-04 -4.04392090e-04] [ 6.03901644e-05 -1.39831223e-04 -4.04392090e-04] [-5.73717623e-05 -1.43363806e-04 -1.21574056e-04] [ 5.73717621e-05 1.43363807e-04 -1.21574056e-04] [-1.10855769e-13 -8.08797473e-13 7.11958270e-13] [-2.31135857e-13 3.41654974e-13 5.01540989e-13] [ 3.07840537e-04 2.27642173e-04 2.27524595e-04] [-3.07840538e-04 -2.27642173e-04 2.27524595e-04] [ 3.07840537e-04 2.27642172e-04 -2.27524595e-04] [-3.07840537e-04 -2.27642173e-04 -2.27524595e-04] [ 5.82249514e-05 3.07346566e-04 5.00650396e-05] [ 5.82249496e-05 3.07346566e-04 -5.00650404e-05] [-5.82249517e-05 -3.07346567e-04 5.00650387e-05] [-5.82249506e-05 -3.07346567e-04 -5.00650395e-05] [ 4.06806235e-04 3.98727106e-04 3.86912724e-13] [ 2.90323530e-04 -2.98330062e-04 5.35172601e-13] [-2.90323530e-04 2.98330063e-04 -1.96120897e-13] [-4.06806235e-04 -3.98727106e-04 -5.12610787e-15] [ 3.07840537e-04 2.27642170e-04 2.27524597e-04] [-3.07840537e-04 -2.27642171e-04 2.27524597e-04] [ 3.07840537e-04 2.27642171e-04 -2.27524597e-04] [-3.07840536e-04 -2.27642171e-04 -2.27524597e-04] [ 5.82249532e-05 3.07346567e-04 5.00650377e-05] [ 5.82249529e-05 3.07346567e-04 -5.00650376e-05] [-5.82249530e-05 -3.07346567e-04 5.00650375e-05] [-5.82249533e-05 -3.07346568e-04 -5.00650373e-05] [ 4.06806233e-04 3.98727107e-04 -4.46999426e-14] [ 2.90323534e-04 -2.98330059e-04 7.29910087e-13] [-2.90323532e-04 2.98330060e-04 9.30367677e-13] [-4.06806233e-04 -3.98727108e-04 8.41173051e-13]] Final stress: [-1.48941570e-05 7.53928300e-06 7.53477165e-06 -5.48627106e-17 4.05651557e-16 5.69732292e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.37497838e-04 8.55352409e-05 8.55756438e-14] [-4.37497838e-04 -8.55352407e-05 2.30371278e-15] [ 8.53705521e-05 1.16851315e-05 5.00367976e-14] [-8.53705521e-05 -1.16851311e-05 -3.52218255e-14] [ 4.05543654e-14 -1.96557180e-14 1.12451672e-05] [ 9.88376048e-14 9.69224700e-14 -1.12451675e-05] [ 4.37497838e-04 8.55352411e-05 -9.13621565e-14] [-4.37497837e-04 -8.55352407e-05 -7.32061986e-14] [ 8.53705524e-05 1.16851319e-05 -1.60833609e-13] [-8.53705521e-05 -1.16851311e-05 -1.50769165e-13] [ 9.22135632e-15 -2.81453085e-14 1.12451668e-05] [-6.52078218e-14 -5.48005844e-14 -1.12451675e-05] [-5.41340699e-05 1.45912603e-04 -1.20297410e-04] [ 5.41340707e-05 -1.45912602e-04 -1.20297410e-04] [ 6.15086488e-05 1.38023867e-04 -4.03854073e-04] [-6.15086490e-05 -1.38023867e-04 -4.03854073e-04] [-5.41340703e-05 1.45912603e-04 1.20297410e-04] [ 5.41340704e-05 -1.45912602e-04 1.20297410e-04] [-6.15086489e-05 -1.38023867e-04 4.03854073e-04] [ 6.15086487e-05 1.38023867e-04 4.03854073e-04] [-5.41340700e-05 1.45912602e-04 -1.20297411e-04] [ 5.41340703e-05 -1.45912602e-04 -1.20297411e-04] [ 6.15086490e-05 1.38023867e-04 -4.03854073e-04] [-6.15086489e-05 -1.38023866e-04 -4.03854074e-04] [-5.41340707e-05 1.45912603e-04 1.20297410e-04] [ 5.41340701e-05 -1.45912603e-04 1.20297410e-04] [-6.15086487e-05 -1.38023866e-04 4.03854073e-04] [ 6.15086491e-05 1.38023867e-04 4.03854073e-04] [ 3.18300941e-13 1.10439435e-13 6.63996635e-13] [-8.46933634e-13 -5.03136656e-13 -3.62219042e-14] [-3.13323484e-04 2.28205739e-04 2.28088813e-04] [ 3.13323483e-04 -2.28205740e-04 2.28088812e-04] [-3.13323483e-04 2.28205739e-04 -2.28088813e-04] [ 3.13323483e-04 -2.28205740e-04 -2.28088813e-04] [ 5.52496094e-05 -3.12830615e-04 5.47020161e-05] [ 5.52496100e-05 -3.12830615e-04 -5.47020155e-05] [-5.52496094e-05 3.12830614e-04 5.47020169e-05] [-5.52496098e-05 3.12830614e-04 -5.47020160e-05] [-2.90892980e-04 -2.91294269e-04 6.93334279e-13] [-4.01425142e-04 4.00964136e-04 7.52366919e-13] [ 4.01425143e-04 -4.00964136e-04 4.84265406e-13] [ 2.90892979e-04 2.91294270e-04 2.67747630e-13] [-3.13323484e-04 2.28205741e-04 2.28088812e-04] [ 3.13323484e-04 -2.28205741e-04 2.28088811e-04] [-3.13323484e-04 2.28205740e-04 -2.28088812e-04] [ 3.13323484e-04 -2.28205740e-04 -2.28088813e-04] [ 5.52496091e-05 -3.12830614e-04 5.47020170e-05] [ 5.52496091e-05 -3.12830614e-04 -5.47020167e-05] [-5.52496087e-05 3.12830614e-04 5.47020174e-05] [-5.52496090e-05 3.12830614e-04 -5.47020172e-05] [-2.90892979e-04 -2.91294270e-04 5.73187339e-13] [-4.01425142e-04 4.00964136e-04 1.15910353e-13] [ 4.01425144e-04 -4.00964134e-04 -2.87976216e-13] [ 2.90892977e-04 2.91294271e-04 -1.65877295e-13]] Final stress: [-1.49044417e-05 7.51958913e-06 7.51510500e-06 3.04238668e-16 -2.66001021e-17 -5.71324554e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.39655276e-04 -6.58598435e-05 -9.49644009e-14] [ 4.39655276e-04 6.58598438e-05 2.67424971e-13] [-6.59873174e-05 -4.06213806e-06 7.61088241e-14] [ 6.59873175e-05 4.06213811e-06 6.46704912e-14] [ 2.16760637e-13 -5.03338690e-14 -4.50284105e-06] [ 7.27751193e-14 -5.70377079e-14 4.50283942e-06] [-4.39655276e-04 -6.58598436e-05 -2.31847722e-13] [ 4.39655275e-04 6.58598436e-05 4.72785023e-14] [-6.59873176e-05 -4.06213821e-06 -2.17659813e-13] [ 6.59873173e-05 4.06213843e-06 -9.37674489e-14] [-8.83715844e-14 -1.29103689e-13 -4.50284034e-06] [ 8.80081598e-14 -1.02719864e-13 4.50284076e-06] [ 3.34973944e-05 -1.64286477e-04 1.17829055e-04] [-3.34973943e-05 1.64286477e-04 1.17829055e-04] [-6.56714314e-05 -1.32589171e-04 4.15099094e-04] [ 6.56714316e-05 1.32589172e-04 4.15099094e-04] [ 3.34973941e-05 -1.64286478e-04 -1.17829055e-04] [-3.34973936e-05 1.64286478e-04 -1.17829055e-04] [ 6.56714321e-05 1.32589171e-04 -4.15099094e-04] [-6.56714323e-05 -1.32589171e-04 -4.15099093e-04] [ 3.34973938e-05 -1.64286478e-04 1.17829054e-04] [-3.34973939e-05 1.64286477e-04 1.17829055e-04] [-6.56714320e-05 -1.32589171e-04 4.15099093e-04] [ 6.56714315e-05 1.32589171e-04 4.15099093e-04] [ 3.34973937e-05 -1.64286477e-04 -1.17829055e-04] [-3.34973944e-05 1.64286477e-04 -1.17829056e-04] [ 6.56714312e-05 1.32589172e-04 -4.15099094e-04] [-6.56714314e-05 -1.32589171e-04 -4.15099094e-04] [ 1.05740416e-12 3.16136006e-13 1.51570423e-12] [ 5.11394746e-13 -4.60364821e-13 -1.11828153e-12] [ 3.33051311e-04 -2.33707457e-04 -2.33818833e-04] [-3.33051310e-04 2.33707458e-04 -2.33818832e-04] [ 3.33051311e-04 -2.33707460e-04 2.33818830e-04] [-3.33051310e-04 2.33707461e-04 2.33818830e-04] [-5.79576546e-05 3.33522668e-04 -6.86710455e-05] [-5.79576568e-05 3.33522669e-04 6.86710436e-05] [ 5.79576563e-05 -3.33522668e-04 -6.86710437e-05] [ 5.79576571e-05 -3.33522668e-04 6.86710434e-05] [ 2.75178764e-04 2.64581467e-04 -3.74589249e-13] [ 3.91066366e-04 -4.01673030e-04 -4.30830718e-13] [-3.91066365e-04 4.01673031e-04 -9.40197573e-13] [-2.75178765e-04 -2.64581466e-04 -7.64274061e-13] [ 3.33051310e-04 -2.33707459e-04 -2.33818831e-04] [-3.33051310e-04 2.33707458e-04 -2.33818832e-04] [ 3.33051309e-04 -2.33707458e-04 2.33818832e-04] [-3.33051311e-04 2.33707457e-04 2.33818832e-04] [-5.79576580e-05 3.33522668e-04 -6.86710427e-05] [-5.79576559e-05 3.33522669e-04 6.86710443e-05] [ 5.79576584e-05 -3.33522669e-04 -6.86710424e-05] [ 5.79576553e-05 -3.33522670e-04 6.86710448e-05] [ 2.75178765e-04 2.64581465e-04 9.72326459e-13] [ 3.91066365e-04 -4.01673032e-04 1.64056565e-12] [-3.91066366e-04 4.01673030e-04 1.03536333e-12] [-2.75178766e-04 -2.64581464e-04 1.64665373e-12]] Final stress: [ 1.47315858e-05 -7.54165974e-06 -7.54586049e-06 2.49383215e-16 -7.69762858e-16 5.94551831e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.39832570e-04 6.52868676e-05 3.10732343e-15] [ 4.39832569e-04 -6.52868670e-05 -6.73905376e-14] [ 6.54138598e-05 -5.02070420e-06 -3.25902499e-14] [-6.54138595e-05 5.02070521e-06 6.88060720e-14] [ 1.42567815e-13 -2.30814933e-13 -5.46133847e-06] [ 2.92654789e-13 -2.44249065e-14 5.46133759e-06] [-4.39832570e-04 6.52868677e-05 -6.65764680e-14] [ 4.39832570e-04 -6.52868670e-05 -1.66845870e-13] [ 6.54138598e-05 -5.02070389e-06 -2.74857062e-13] [-6.54138596e-05 5.02070458e-06 -1.40515717e-13] [-2.09556331e-13 -1.35894375e-13 -5.46133910e-06] [-1.39675597e-13 -2.18978668e-13 5.46133823e-06] [ 6.57050341e-05 -1.32584956e-04 -4.15529198e-04] [-6.57050338e-05 1.32584956e-04 -4.15529198e-04] [-3.37056052e-05 -1.64108492e-04 -1.18441363e-04] [ 3.37056056e-05 1.64108491e-04 -1.18441363e-04] [ 6.57050341e-05 -1.32584956e-04 4.15529198e-04] [-6.57050339e-05 1.32584956e-04 4.15529198e-04] [ 3.37056057e-05 1.64108491e-04 1.18441363e-04] [-3.37056052e-05 -1.64108491e-04 1.18441363e-04] [ 6.57050334e-05 -1.32584956e-04 -4.15529198e-04] [-6.57050338e-05 1.32584956e-04 -4.15529198e-04] [-3.37056058e-05 -1.64108491e-04 -1.18441363e-04] [ 3.37056050e-05 1.64108491e-04 -1.18441363e-04] [ 6.57050342e-05 -1.32584956e-04 4.15529198e-04] [-6.57050341e-05 1.32584955e-04 4.15529198e-04] [ 3.37056048e-05 1.64108492e-04 1.18441363e-04] [-3.37056056e-05 -1.64108491e-04 1.18441363e-04] [ 1.02065578e-12 -4.70984363e-13 9.47991685e-13] [-5.21674717e-13 -1.54528421e-13 3.54637634e-13] [-3.32402037e-04 -2.33692137e-04 -2.33803632e-04] [ 3.32402036e-04 2.33692136e-04 -2.33803632e-04] [-3.32402037e-04 -2.33692138e-04 2.33803631e-04] [ 3.32402036e-04 2.33692138e-04 2.33803630e-04] [-5.57399118e-05 -3.32873045e-04 -7.03578440e-05] [-5.57399134e-05 -3.32873045e-04 7.03578430e-05] [ 5.57399108e-05 3.32873044e-04 -7.03578449e-05] [ 5.57399129e-05 3.32873045e-04 7.03578435e-05] [-3.89096637e-04 -4.03606848e-04 -4.74398298e-13] [-2.77644563e-04 2.63141971e-04 -2.61120986e-13] [ 2.77644564e-04 -2.63141970e-04 -5.02459185e-13] [ 3.89096637e-04 4.03606848e-04 -4.87809446e-13] [-3.32402037e-04 -2.33692138e-04 -2.33803631e-04] [ 3.32402037e-04 2.33692137e-04 -2.33803632e-04] [-3.32402036e-04 -2.33692136e-04 2.33803633e-04] [ 3.32402036e-04 2.33692136e-04 2.33803632e-04] [-5.57399134e-05 -3.32873045e-04 -7.03578424e-05] [-5.57399122e-05 -3.32873045e-04 7.03578434e-05] [ 5.57399133e-05 3.32873044e-04 -7.03578422e-05] [ 5.57399121e-05 3.32873045e-04 7.03578436e-05] [-3.89096636e-04 -4.03606849e-04 1.16842592e-12] [-2.77644564e-04 2.63141970e-04 1.09170894e-12] [ 2.77644565e-04 -2.63141968e-04 6.09335953e-13] [ 3.89096636e-04 4.03606848e-04 3.50729862e-13]] Final stress: [ 1.47199429e-05 -7.54198528e-06 -7.54619157e-06 -4.75490664e-16 -8.31277384e-17 -5.95089591e-06] Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.39618796e-03 -1.99190490e-13 1.52559259e-12] [ 4.39618796e-03 5.98660010e-13 1.43421386e-12] [-2.85787886e-13 -6.04336196e-03 2.83740045e-13] [-4.74037476e-13 6.04336196e-03 1.50990331e-14] [-1.36957286e-13 -4.50419216e-13 -4.39618796e-03] [ 1.04360964e-13 -5.04485342e-13 4.39618796e-03] [-4.39618796e-03 1.58191168e-13 5.93138002e-13] [ 4.39618796e-03 1.22734722e-13 -2.11807488e-13] [-2.21216274e-14 -6.04336196e-03 -1.11085918e-12] [-6.35900620e-13 6.04336196e-03 -5.47573216e-13] [ 6.38709138e-13 -1.05245643e-12 -4.39618796e-03] [ 2.96962975e-13 -1.22342317e-12 4.39618796e-03] [-1.87150302e-03 1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 -1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 1.21192260e-03 1.87150302e-03] [-1.87150302e-03 -1.21192260e-03 1.87150302e-03] [-1.87150302e-03 1.21192260e-03 1.87150302e-03] [ 1.87150302e-03 -1.21192260e-03 1.87150302e-03] [-1.87150302e-03 -1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 1.21192260e-03 -1.87150302e-03] [-1.87150302e-03 1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 -1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 1.21192260e-03 1.87150302e-03] [-1.87150302e-03 -1.21192260e-03 1.87150302e-03] [-1.87150302e-03 1.21192260e-03 1.87150302e-03] [ 1.87150302e-03 -1.21192260e-03 1.87150302e-03] [-1.87150302e-03 -1.21192260e-03 -1.87150302e-03] [ 1.87150302e-03 1.21192260e-03 -1.87150302e-03] [ 3.84914323e-13 5.56887869e-13 -4.27602398e-13] [ 5.43470217e-13 1.71163231e-13 -4.50734931e-12] [ 2.75590661e-12 -1.34522977e-03 -7.15139224e-04] [ 2.78298218e-13 1.34522977e-03 -7.15139221e-04] [ 4.86936880e-13 -1.34522977e-03 7.15139221e-04] [ 7.88220184e-13 1.34522977e-03 7.15139224e-04] [-4.34094155e-03 2.49023024e-13 -4.34094155e-03] [-4.34094155e-03 -1.96672539e-12 4.34094155e-03] [ 4.34094155e-03 1.48459370e-12 -4.34094155e-03] [ 4.34094155e-03 5.55609378e-13 4.34094155e-03] [-7.15139220e-04 -1.34522977e-03 -2.95985458e-12] [ 7.15139222e-04 -1.34522977e-03 -1.53247380e-12] [-7.15139221e-04 1.34522977e-03 -7.98940775e-13] [ 7.15139222e-04 1.34522977e-03 7.72541753e-14] [-4.11705392e-13 -1.34522977e-03 -7.15139221e-04] [ 2.29503049e-13 1.34522977e-03 -7.15139220e-04] [-8.54147482e-13 -1.34522977e-03 7.15139219e-04] [-4.90757608e-13 1.34522977e-03 7.15139222e-04] [-4.34094155e-03 4.75731518e-13 -4.34094155e-03] [-4.34094155e-03 -7.16554203e-13 4.34094155e-03] [ 4.34094155e-03 1.22370863e-13 -4.34094155e-03] [ 4.34094155e-03 -1.12714785e-12 4.34094155e-03] [-7.15139220e-04 -1.34522977e-03 -5.27320578e-13] [ 7.15139224e-04 -1.34522977e-03 5.41276164e-13] [-7.15139220e-04 1.34522977e-03 3.88010059e-13] [ 7.15139220e-04 1.34522977e-03 2.88909955e-13]] Final stress: [-2.22853179e-05 2.25766688e-04 -2.22853180e-05 8.06350797e-16 1.27353549e-15 3.07577108e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.30894608e-02 -7.14921915e-12 2.66531155e-13] [ 3.30894608e-02 8.18772827e-12 -3.05447334e-12] [ 1.15296011e-12 4.74735000e-03 -1.09238547e-11] [-4.39703829e-12 -4.74734994e-03 -2.30210295e-12] [ 2.09236144e-12 4.24210146e-13 4.74734994e-03] [ 1.87748428e-11 1.12831411e-11 -4.74735000e-03] [-3.30894608e-02 8.01335777e-12 4.51897007e-12] [ 3.30894608e-02 9.84783826e-12 7.32972688e-13] [ 3.02238790e-12 4.74735007e-03 2.85684424e-12] [-2.45856985e-11 -4.74734993e-03 9.07152803e-12] [-9.03012387e-12 -1.57471909e-11 4.74734999e-03] [-7.56134521e-12 -1.63037486e-12 -4.74735002e-03] [ 1.68285884e-02 7.66806699e-03 7.66806696e-03] [-1.68285883e-02 -7.66806694e-03 7.66806692e-03] [-1.68285884e-02 7.66806696e-03 -7.66806697e-03] [ 1.68285883e-02 -7.66806694e-03 -7.66806695e-03] [ 1.68285884e-02 7.66806697e-03 -7.66806699e-03] [-1.68285883e-02 -7.66806693e-03 -7.66806695e-03] [ 1.68285883e-02 -7.66806695e-03 7.66806696e-03] [-1.68285884e-02 7.66806697e-03 7.66806697e-03] [ 1.68285883e-02 7.66806693e-03 7.66806696e-03] [-1.68285884e-02 -7.66806693e-03 7.66806695e-03] [-1.68285884e-02 7.66806696e-03 -7.66806697e-03] [ 1.68285884e-02 -7.66806695e-03 -7.66806696e-03] [ 1.68285884e-02 7.66806694e-03 -7.66806696e-03] [-1.68285884e-02 -7.66806695e-03 -7.66806695e-03] [ 1.68285884e-02 -7.66806694e-03 7.66806698e-03] [-1.68285884e-02 7.66806696e-03 7.66806695e-03] [-1.13753174e-11 -5.87780380e-11 5.59120250e-11] [-3.79492869e-11 -1.50113136e-10 -2.28617343e-12] [-2.15125695e-11 1.53381140e-02 1.53381141e-02] [-1.19340406e-11 -1.53381140e-02 1.53381141e-02] [ 1.93699692e-11 1.53381142e-02 -1.53381140e-02] [-1.38638493e-11 -1.53381141e-02 -1.53381141e-02] [-1.18871184e-02 -7.97436561e-11 2.85390247e-02] [-1.18871183e-02 -2.59725921e-11 -2.85390246e-02] [ 1.18871184e-02 1.97298775e-13 2.85390246e-02] [ 1.18871183e-02 -1.62834867e-11 -2.85390245e-02] [-1.18871183e-02 2.85390246e-02 1.34603217e-10] [ 1.18871184e-02 2.85390247e-02 6.98540496e-11] [-1.18871183e-02 -2.85390246e-02 7.08061856e-11] [ 1.18871183e-02 -2.85390245e-02 2.05189980e-11] [ 2.21018724e-11 1.53381141e-02 1.53381141e-02] [-1.66959255e-11 -1.53381142e-02 1.53381140e-02] [ 2.06592889e-11 1.53381140e-02 -1.53381141e-02] [-1.34451361e-11 -1.53381140e-02 -1.53381141e-02] [-1.18871183e-02 -7.56963282e-11 2.85390246e-02] [-1.18871184e-02 -5.34209131e-11 -2.85390247e-02] [ 1.18871182e-02 -1.42054857e-11 2.85390246e-02] [ 1.18871184e-02 -8.19097221e-12 -2.85390247e-02] [-1.18871183e-02 2.85390246e-02 5.31018542e-11] [ 1.18871184e-02 2.85390247e-02 -5.27194939e-11] [-1.18871183e-02 -2.85390246e-02 -5.08509152e-11] [ 1.18871183e-02 -2.85390246e-02 -3.89770035e-11]] Final stress: [ 4.30539707e-04 -6.52575449e-04 -6.52575449e-04 -4.73691050e-14 -1.12766167e-14 4.50865170e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.70877085e-03 -5.99309491e-12 3.10489698e-12] [-2.70877082e-03 -5.91096616e-12 2.60208521e-13] [ 1.22790879e-11 5.34766603e-02 5.22345318e-12] [ 1.39278866e-11 -5.34766603e-02 2.32974751e-12] [ 8.29143481e-12 -3.97902631e-12 -4.52561154e-02] [ 8.81728024e-12 -1.97822314e-12 4.52561154e-02] [ 2.70877083e-03 -3.44751441e-12 -5.11432324e-12] [-2.70877082e-03 -3.05423265e-12 -2.41169336e-12] [ 1.16146719e-12 5.34766604e-02 -6.52586164e-12] [-3.16177032e-12 -5.34766603e-02 2.65016417e-14] [ 3.54199829e-12 -3.68621161e-12 -4.52561154e-02] [-1.27539862e-12 -2.83415063e-12 4.52561154e-02] [-8.46352698e-04 6.18097295e-03 -6.11606191e-03] [ 8.46352702e-04 -6.18097295e-03 -6.11606191e-03] [ 8.46352701e-04 6.18097295e-03 6.11606192e-03] [-8.46352705e-04 -6.18097295e-03 6.11606191e-03] [-8.46352700e-04 6.18097295e-03 6.11606191e-03] [ 8.46352707e-04 -6.18097295e-03 6.11606191e-03] [-8.46352702e-04 -6.18097295e-03 -6.11606191e-03] [ 8.46352701e-04 6.18097295e-03 -6.11606192e-03] [-8.46352712e-04 6.18097296e-03 -6.11606192e-03] [ 8.46352698e-04 -6.18097295e-03 -6.11606193e-03] [ 8.46352695e-04 6.18097295e-03 6.11606191e-03] [-8.46352715e-04 -6.18097295e-03 6.11606191e-03] [-8.46352712e-04 6.18097296e-03 6.11606190e-03] [ 8.46352700e-04 -6.18097294e-03 6.11606190e-03] [-8.46352718e-04 -6.18097295e-03 -6.11606192e-03] [ 8.46352697e-04 6.18097295e-03 -6.11606192e-03] [-4.09117185e-14 -2.04500306e-11 1.78305981e-11] [-1.44548973e-11 -4.76586052e-12 -1.02141432e-11] [ 5.17674792e-12 -7.27822204e-03 5.16131146e-03] [ 5.99404901e-12 7.27822204e-03 5.16131146e-03] [ 2.61196273e-12 -7.27822204e-03 -5.16131145e-03] [ 2.40835130e-13 7.27822207e-03 -5.16131147e-03] [-2.19415830e-03 -2.66553446e-12 4.06632942e-03] [-2.19415831e-03 -1.63896483e-11 -4.06632941e-03] [ 2.19415829e-03 1.18781721e-12 4.06632939e-03] [ 2.19415832e-03 -1.46290063e-11 -4.06632940e-03] [ 4.52730793e-03 -1.81479542e-03 -1.68576264e-12] [-4.52730792e-03 -1.81479542e-03 -1.19218871e-11] [ 4.52730793e-03 1.81479543e-03 -7.11838748e-12] [-4.52730793e-03 1.81479543e-03 2.16170831e-12] [-5.00330159e-12 -7.27822206e-03 5.16131148e-03] [-3.93072901e-12 7.27822207e-03 5.16131148e-03] [ 5.22035063e-12 -7.27822205e-03 -5.16131147e-03] [-2.73244968e-12 7.27822205e-03 -5.16131146e-03] [-2.19415831e-03 -1.34327296e-11 4.06632940e-03] [-2.19415829e-03 1.56652252e-12 -4.06632938e-03] [ 2.19415829e-03 -1.21895011e-11 4.06632940e-03] [ 2.19415829e-03 -6.49157377e-12 -4.06632940e-03] [ 4.52730794e-03 -1.81479544e-03 1.08711542e-11] [-4.52730793e-03 -1.81479543e-03 3.60799668e-12] [ 4.52730794e-03 1.81479544e-03 -3.10771806e-12] [-4.52730793e-03 1.81479543e-03 -7.90481612e-12]] Final stress: [-3.99054666e-06 -4.38365385e-04 3.98526826e-04 -9.57118852e-15 4.76647516e-15 1.30176144e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.71169217e-03 -3.27656565e-12 -6.47670285e-13] [-2.71169215e-03 -3.85108612e-13 2.05857553e-12] [ 1.53525326e-11 -4.53032982e-02 8.15548150e-13] [ 1.29300459e-11 4.53032982e-02 2.51995647e-12] [ 1.82751488e-11 -2.70625276e-12 5.35358939e-02] [ 1.93687566e-11 -1.18155485e-12 -5.35358939e-02] [ 2.71169215e-03 -4.32150843e-12 3.19651566e-13] [-2.71169214e-03 -3.12520452e-12 1.20524152e-13] [-6.81151663e-12 -4.53032982e-02 2.15538127e-12] [-1.95810208e-12 4.53032982e-02 -3.42207552e-13] [ 2.56820563e-12 -6.45951450e-13 5.35358939e-02] [-3.12590492e-12 -1.34449845e-12 -5.35358939e-02] [-8.47859109e-04 -6.12353236e-03 6.18904009e-03] [ 8.47859113e-04 6.12353236e-03 6.18904009e-03] [ 8.47859109e-04 -6.12353236e-03 -6.18904009e-03] [-8.47859103e-04 6.12353235e-03 -6.18904010e-03] [-8.47859106e-04 -6.12353236e-03 -6.18904010e-03] [ 8.47859109e-04 6.12353235e-03 -6.18904010e-03] [-8.47859104e-04 6.12353236e-03 6.18904009e-03] [ 8.47859110e-04 -6.12353236e-03 6.18904009e-03] [-8.47859121e-04 -6.12353236e-03 6.18904010e-03] [ 8.47859097e-04 6.12353236e-03 6.18904009e-03] [ 8.47859094e-04 -6.12353236e-03 -6.18904010e-03] [-8.47859130e-04 6.12353236e-03 -6.18904009e-03] [-8.47859126e-04 -6.12353236e-03 -6.18904010e-03] [ 8.47859104e-04 6.12353236e-03 -6.18904010e-03] [-8.47859129e-04 6.12353236e-03 6.18904009e-03] [ 8.47859093e-04 -6.12353235e-03 6.18904010e-03] [ 1.75267023e-11 -1.57063529e-11 -8.34970981e-13] [-1.35124121e-11 6.99555323e-12 9.69405493e-12] [-2.08100204e-12 5.19514232e-03 -7.31389079e-03] [ 3.94344279e-13 -5.19514230e-03 -7.31389078e-03] [-7.91816265e-13 5.19514233e-03 7.31389080e-03] [-5.69128078e-13 -5.19514230e-03 7.31389079e-03] [ 4.54852172e-03 6.34170494e-12 -1.82985984e-03] [ 4.54852171e-03 9.38082771e-12 1.82985983e-03] [-4.54852172e-03 1.71301341e-12 -1.82985987e-03] [-4.54852172e-03 8.99362702e-12 1.82985986e-03] [-2.20688255e-03 4.08742895e-03 9.09483600e-12] [ 2.20688254e-03 4.08742893e-03 5.95085613e-12] [-2.20688254e-03 -4.08742894e-03 -9.09947118e-12] [ 2.20688251e-03 -4.08742891e-03 2.03855335e-12] [ 9.16356921e-12 5.19514230e-03 -7.31389077e-03] [ 7.14943773e-12 -5.19514233e-03 -7.31389080e-03] [ 8.60136398e-12 5.19514232e-03 7.31389079e-03] [-2.91765440e-12 -5.19514232e-03 7.31389081e-03] [ 4.54852173e-03 -1.15832481e-11 -1.82985987e-03] [ 4.54852171e-03 -1.26657693e-11 1.82985986e-03] [-4.54852172e-03 2.86677496e-12 -1.82985984e-03] [-4.54852171e-03 -6.81660848e-12 1.82985984e-03] [-2.20688251e-03 4.08742890e-03 1.10401800e-12] [ 2.20688252e-03 4.08742893e-03 1.31628313e-12] [-2.20688253e-03 -4.08742891e-03 -2.08223525e-12] [ 2.20688253e-03 -4.08742894e-03 -3.77334015e-13]] Final stress: [-4.02818663e-06 3.98809290e-04 -4.38782456e-04 -3.15548303e-15 4.49548268e-15 -3.98508579e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.87386507e-06 1.12691106e-13 1.85008259e-13] [-7.87386537e-06 -2.95374836e-13 4.89386309e-13] [ 3.76001313e-14 -5.54149089e-04 2.59256592e-13] [ 5.40206768e-13 5.54149090e-04 -9.87820936e-14] [ 2.22558083e-13 1.63194111e-13 -5.54149089e-04] [ 4.87665464e-14 1.10911280e-13 5.54149089e-04] [ 7.87386611e-06 7.91857899e-15 -3.93817115e-14] [-7.87386422e-06 1.83276137e-13 -1.45648712e-13] [-1.00664702e-13 -5.54149088e-04 1.71415589e-13] [-4.07243683e-13 5.54149090e-04 7.93742651e-14] [ 1.91211630e-13 -3.29308167e-13 -5.54149089e-04] [ 2.30005251e-13 2.45085206e-13 5.54149089e-04] [-2.66652301e-04 -5.06395734e-05 -5.06395736e-05] [ 2.66652302e-04 5.06395743e-05 -5.06395745e-05] [ 2.66652302e-04 -5.06395735e-05 5.06395749e-05] [-2.66652302e-04 5.06395740e-05 5.06395736e-05] [-2.66652301e-04 -5.06395740e-05 5.06395734e-05] [ 2.66652302e-04 5.06395746e-05 5.06395745e-05] [-2.66652301e-04 5.06395736e-05 -5.06395734e-05] [ 2.66652302e-04 -5.06395736e-05 -5.06395742e-05] [-2.66652302e-04 -5.06395746e-05 -5.06395743e-05] [ 2.66652301e-04 5.06395741e-05 -5.06395737e-05] [ 2.66652301e-04 -5.06395736e-05 5.06395732e-05] [-2.66652301e-04 5.06395741e-05 5.06395737e-05] [-2.66652302e-04 -5.06395737e-05 5.06395740e-05] [ 2.66652301e-04 5.06395736e-05 5.06395736e-05] [-2.66652301e-04 5.06395744e-05 -5.06395744e-05] [ 2.66652302e-04 -5.06395738e-05 -5.06395738e-05] [ 9.53487289e-13 4.93410868e-13 5.24802424e-13] [-2.03186903e-12 -8.49532570e-13 3.32680763e-13] [ 3.71924713e-14 1.09913796e-04 1.09913799e-04] [-9.53147283e-13 -1.09913796e-04 1.09913799e-04] [ 5.09375528e-13 1.09913794e-04 -1.09913800e-04] [-8.68409511e-13 -1.09913793e-04 -1.09913802e-04] [-1.53128565e-04 -2.14450679e-12 8.07746465e-05] [-1.53128568e-04 -5.77359341e-13 -8.07746496e-05] [ 1.53128566e-04 -3.91742194e-13 8.07746482e-05] [ 1.53128570e-04 8.45110440e-13 -8.07746521e-05] [-1.53128575e-04 8.07746573e-05 -9.58344515e-13] [ 1.53128572e-04 8.07746543e-05 -1.04957362e-12] [-1.53128574e-04 -8.07746559e-05 -1.13355159e-12] [ 1.53128573e-04 -8.07746555e-05 -2.20386036e-12] [-7.01136631e-13 1.09913799e-04 1.09913795e-04] [ 7.54206593e-13 -1.09913800e-04 1.09913795e-04] [-9.68369916e-13 1.09913804e-04 -1.09913791e-04] [ 1.00258343e-12 -1.09913802e-04 -1.09913793e-04] [-1.53128574e-04 -1.70852791e-13 8.07746558e-05] [-1.53128571e-04 5.44913507e-13 -8.07746527e-05] [ 1.53128575e-04 -1.75104072e-12 8.07746578e-05] [ 1.53128572e-04 -1.10459558e-12 -8.07746555e-05] [-1.53128568e-04 8.07746501e-05 1.70518126e-12] [ 1.53128568e-04 8.07746491e-05 6.85917506e-13] [-1.53128569e-04 -8.07746515e-05 1.73128178e-12] [ 1.53128566e-04 -8.07746484e-05 1.70650690e-12]] Final stress: [-2.15522560e-05 1.41853382e-06 1.41853382e-06 -1.82883686e-17 -1.86208844e-16 9.64295798e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.11476830e-05 -8.71295223e-14 -6.23650437e-14] [-1.11476843e-05 -7.03326286e-14 -5.49560397e-15] [-2.38194880e-14 4.37497759e-04 -8.54964839e-05] [ 1.01446629e-13 -4.37497760e-04 8.54964842e-05] [ 1.19116089e-13 -8.53318299e-05 1.15876715e-05] [ 2.58154609e-13 8.53318297e-05 -1.15876727e-05] [ 1.11476832e-05 -1.29306722e-13 1.61420638e-13] [-1.11476835e-05 7.04228342e-14 -1.10695225e-13] [-2.74293609e-13 4.37497760e-04 -8.54964842e-05] [-1.54276331e-13 -4.37497759e-04 8.54964841e-05] [-1.66857847e-13 -8.53318296e-05 1.15876718e-05] [ 1.66729044e-13 8.53318297e-05 -1.15876719e-05] [ 4.03865152e-04 -6.15401926e-05 1.37991602e-04] [ 1.20292408e-04 5.40848605e-05 1.45961008e-04] [ 1.20292409e-04 -5.40848607e-05 -1.45961008e-04] [ 4.03865152e-04 6.15401931e-05 -1.37991602e-04] [-1.20292408e-04 -5.40848608e-05 -1.45961008e-04] [-4.03865151e-04 6.15401927e-05 -1.37991601e-04] [-1.20292408e-04 5.40848605e-05 1.45961008e-04] [-4.03865152e-04 -6.15401927e-05 1.37991602e-04] [ 4.03865151e-04 -6.15401928e-05 1.37991601e-04] [ 1.20292408e-04 5.40848606e-05 1.45961008e-04] [ 1.20292408e-04 -5.40848602e-05 -1.45961008e-04] [ 4.03865152e-04 6.15401931e-05 -1.37991602e-04] [-1.20292408e-04 -5.40848608e-05 -1.45961008e-04] [-4.03865152e-04 6.15401926e-05 -1.37991602e-04] [-1.20292408e-04 5.40848609e-05 1.45961008e-04] [-4.03865152e-04 -6.15401924e-05 1.37991601e-04] [ 1.25274791e-12 6.65106858e-13 1.20606303e-12] [ 4.40202128e-13 -7.47604072e-13 -4.29618713e-13] [-1.01929576e-12 4.01667922e-04 4.00678831e-04] [-1.02895817e-12 2.90568042e-04 -2.91497231e-04] [-3.74429654e-13 -2.90568043e-04 2.91497230e-04] [-2.68771116e-13 -4.01667920e-04 -4.00678834e-04] [ 2.28073114e-04 3.13423322e-04 2.28190007e-04] [ 2.28073111e-04 -3.13423322e-04 -2.28190009e-04] [-2.28073114e-04 3.13423322e-04 2.28190006e-04] [-2.28073111e-04 -3.13423322e-04 -2.28190008e-04] [ 5.44579021e-05 5.55334587e-05 3.12930469e-04] [-5.44579047e-05 5.55334555e-05 3.12930468e-04] [ 5.44579038e-05 -5.55334573e-05 -3.12930469e-04] [-5.44579059e-05 -5.55334547e-05 -3.12930470e-04] [ 8.87032635e-13 4.01667921e-04 4.00678832e-04] [ 1.58750357e-12 2.90568043e-04 -2.91497230e-04] [ 2.52221855e-13 -2.90568041e-04 2.91497232e-04] [ 4.52563768e-13 -4.01667925e-04 -4.00678829e-04] [ 2.28073111e-04 3.13423321e-04 2.28190008e-04] [ 2.28073114e-04 -3.13423322e-04 -2.28190006e-04] [-2.28073110e-04 3.13423321e-04 2.28190010e-04] [-2.28073110e-04 -3.13423322e-04 -2.28190010e-04] [ 5.44579056e-05 5.55334552e-05 3.12930471e-04] [-5.44579059e-05 5.55334553e-05 3.12930471e-04] [ 5.44579054e-05 -5.55334551e-05 -3.12930469e-04] [-5.44579050e-05 -5.55334555e-05 -3.12930469e-04]] Final stress: [ 7.51542974e-06 -1.49055869e-05 7.51991340e-06 5.71373823e-06 -4.15626596e-17 -7.64752936e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.22157091e-05 1.16894341e-14 7.65706942e-15] [-1.22157093e-05 -2.90878432e-13 -9.13713549e-14] [ 2.44795503e-14 4.37854929e-04 8.57560676e-05] [ 3.35703687e-13 -4.37854928e-04 -8.57560676e-05] [ 3.34884030e-14 8.55905998e-05 1.26554703e-05] [-5.93969318e-14 -8.55905999e-05 -1.26554714e-05] [ 1.22157094e-05 -6.62156961e-14 -1.35023637e-13] [-1.22157095e-05 -3.24918044e-14 4.77192116e-14] [-2.02991703e-13 4.37854929e-04 8.57560677e-05] [-1.82052290e-13 -4.37854928e-04 -8.57560675e-05] [ 1.86179197e-14 8.55905996e-05 1.26554700e-05] [-1.47708668e-13 -8.55905993e-05 -1.26554710e-05] [-1.20534507e-04 -5.47370803e-05 1.45445810e-04] [-4.03960484e-04 6.13093122e-05 1.38359460e-04] [-4.03960484e-04 -6.13093121e-05 -1.38359460e-04] [-1.20534507e-04 5.47370801e-05 -1.45445810e-04] [ 4.03960485e-04 -6.13093123e-05 -1.38359460e-04] [ 1.20534507e-04 5.47370802e-05 -1.45445810e-04] [ 4.03960484e-04 6.13093124e-05 1.38359460e-04] [ 1.20534507e-04 -5.47370802e-05 1.45445811e-04] [-1.20534507e-04 -5.47370801e-05 1.45445810e-04] [-4.03960484e-04 6.13093124e-05 1.38359460e-04] [-4.03960484e-04 -6.13093124e-05 -1.38359460e-04] [-1.20534507e-04 5.47370803e-05 -1.45445810e-04] [ 4.03960484e-04 -6.13093119e-05 -1.38359460e-04] [ 1.20534507e-04 5.47370799e-05 -1.45445810e-04] [ 4.03960484e-04 6.13093127e-05 1.38359460e-04] [ 1.20534507e-04 -5.47370803e-05 1.45445811e-04] [ 6.95415947e-13 -6.55003829e-13 5.80452353e-13] [ 4.24335914e-13 -8.95545690e-13 6.17286911e-13] [-4.40758541e-14 -2.90471540e-04 -2.92888888e-04] [-4.10328022e-13 -4.02732112e-04 4.00252292e-04] [ 8.52432708e-13 4.02732112e-04 -4.00252292e-04] [-4.15910362e-13 2.90471540e-04 2.92888888e-04] [ 2.27964152e-04 -3.12322550e-04 2.28081181e-04] [ 2.27964152e-04 3.12322549e-04 -2.28081181e-04] [-2.27964152e-04 -3.12322549e-04 2.28081181e-04] [-2.27964152e-04 3.12322549e-04 -2.28081181e-04] [ 5.35486921e-05 5.61138203e-05 -3.11829464e-04] [-5.35486939e-05 5.61138188e-05 -3.11829464e-04] [ 5.35486924e-05 -5.61138207e-05 3.11829464e-04] [-5.35486935e-05 -5.61138191e-05 3.11829464e-04] [ 9.69220364e-14 -2.90471540e-04 -2.92888888e-04] [ 3.87115253e-13 -4.02732112e-04 4.00252292e-04] [ 3.00014354e-13 4.02732112e-04 -4.00252292e-04] [ 6.46380085e-13 2.90471541e-04 2.92888887e-04] [ 2.27964153e-04 -3.12322549e-04 2.28081181e-04] [ 2.27964153e-04 3.12322549e-04 -2.28081180e-04] [-2.27964152e-04 -3.12322549e-04 2.28081182e-04] [-2.27964151e-04 3.12322549e-04 -2.28081182e-04] [ 5.35486928e-05 5.61138195e-05 -3.11829464e-04] [-5.35486930e-05 5.61138197e-05 -3.11829464e-04] [ 5.35486923e-05 -5.61138202e-05 3.11829465e-04] [-5.35486936e-05 -5.61138189e-05 3.11829465e-04]] Final stress: [ 7.51928071e-06 -1.49035475e-05 7.52376973e-06 -5.71032689e-06 3.15876213e-17 -3.85701481e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.58716204e-05 4.12599642e-14 -6.90602089e-14] [ 1.58716193e-05 1.67643677e-13 5.81756865e-14] [ 1.50322463e-14 -4.43820409e-04 -6.83372893e-05] [-8.90676422e-14 4.43820409e-04 6.83372894e-05] [-6.33434277e-14 -6.84724043e-05 -1.54332732e-05] [-6.99995617e-14 6.84724038e-05 1.54332717e-05] [-1.58716196e-05 -6.34232250e-14 1.20083978e-13] [ 1.58716200e-05 5.63039199e-14 -3.25202732e-13] [-2.53357231e-13 -4.43820408e-04 -6.83372890e-05] [-1.79578574e-13 4.43820409e-04 6.83372890e-05] [-1.49200964e-13 -6.84724043e-05 -1.54332727e-05] [-4.56613913e-14 6.84724043e-05 1.54332726e-05] [ 1.20293937e-04 3.99213013e-05 -1.59164289e-04] [ 4.15965071e-04 -6.34449626e-05 -1.36118058e-04] [ 4.15965071e-04 6.34449629e-05 1.36118057e-04] [ 1.20293937e-04 -3.99213007e-05 1.59164289e-04] [-4.15965071e-04 6.34449631e-05 1.36118057e-04] [-1.20293936e-04 -3.99213010e-05 1.59164290e-04] [-4.15965071e-04 -6.34449629e-05 -1.36118057e-04] [-1.20293937e-04 3.99213010e-05 -1.59164289e-04] [ 1.20293936e-04 3.99213007e-05 -1.59164290e-04] [ 4.15965071e-04 -6.34449627e-05 -1.36118056e-04] [ 4.15965071e-04 6.34449634e-05 1.36118057e-04] [ 1.20293937e-04 -3.99213009e-05 1.59164289e-04] [-4.15965071e-04 6.34449624e-05 1.36118057e-04] [-1.20293937e-04 -3.99213015e-05 1.59164289e-04] [-4.15965071e-04 -6.34449623e-05 -1.36118057e-04] [-1.20293936e-04 3.99213011e-05 -1.59164289e-04] [ 1.49197321e-12 7.48484608e-13 1.34550704e-12] [-4.51869011e-13 -1.18194248e-12 2.09096716e-13] [-2.12496687e-13 2.76219101e-04 2.76738975e-04] [-3.70044273e-13 3.99525544e-04 -3.99038025e-04] [ 4.74802489e-13 -3.99525544e-04 3.99038024e-04] [ 5.63032260e-13 -2.76219099e-04 -2.76738977e-04] [-2.32692236e-04 3.22165279e-04 -2.32579582e-04] [-2.32692237e-04 -3.22165280e-04 2.32579581e-04] [ 2.32692237e-04 3.22165279e-04 -2.32579582e-04] [ 2.32692239e-04 -3.22165280e-04 2.32579579e-04] [-6.12758682e-05 -6.16668718e-05 3.22638811e-04] [ 6.12758682e-05 -6.16668717e-05 3.22638810e-04] [-6.12758679e-05 6.16668715e-05 -3.22638811e-04] [ 6.12758675e-05 6.16668720e-05 -3.22638812e-04] [-3.94363361e-14 2.76219099e-04 2.76738977e-04] [-3.58857041e-13 3.99525544e-04 -3.99038023e-04] [-1.30454241e-13 -3.99525543e-04 3.99038025e-04] [-2.09534213e-13 -2.76219100e-04 -2.76738976e-04] [-2.32692238e-04 3.22165280e-04 -2.32579580e-04] [-2.32692236e-04 -3.22165280e-04 2.32579582e-04] [ 2.32692237e-04 3.22165280e-04 -2.32579581e-04] [ 2.32692237e-04 -3.22165280e-04 2.32579581e-04] [-6.12758689e-05 -6.16668710e-05 3.22638811e-04] [ 6.12758677e-05 -6.16668719e-05 3.22638811e-04] [-6.12758689e-05 6.16668711e-05 -3.22638809e-04] [ 6.12758682e-05 6.16668719e-05 -3.22638810e-04]] Final stress: [-7.58382054e-06 1.47022098e-05 -7.57957177e-06 5.91253039e-06 4.17301247e-16 -3.44148837e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.99833096e-06 6.65565693e-14 1.60027807e-13] [ 4.99833010e-06 7.69107000e-14 -2.41473508e-15] [ 3.60440844e-14 -4.39795362e-04 6.52768744e-05] [ 4.54636329e-14 4.39795361e-04 -6.52768746e-05] [ 7.58412430e-14 6.54038722e-05 -4.55762309e-06] [ 1.19876331e-13 -6.54038726e-05 4.55762250e-06] [-4.99832996e-06 -1.40111447e-13 -2.72265526e-13] [ 4.99832991e-06 1.62252590e-13 -2.20162669e-13] [ 2.82621149e-14 -4.39795361e-04 6.52768745e-05] [ 5.46724124e-14 4.39795363e-04 -6.52768748e-05] [-1.16053001e-15 6.54038721e-05 -4.55762317e-06] [-2.63022677e-13 -6.54038724e-05 4.55762291e-06] [-4.15486103e-04 6.57901099e-05 -1.32497429e-04] [-1.18317156e-04 -3.35347790e-05 -1.64276973e-04] [-1.18317156e-04 3.35347795e-05 1.64276972e-04] [-4.15486104e-04 -6.57901090e-05 1.32497430e-04] [ 1.18317156e-04 3.35347797e-05 1.64276973e-04] [ 4.15486104e-04 -6.57901089e-05 1.32497430e-04] [ 1.18317156e-04 -3.35347796e-05 -1.64276973e-04] [ 4.15486103e-04 6.57901098e-05 -1.32497429e-04] [-4.15486104e-04 6.57901097e-05 -1.32497430e-04] [-1.18317156e-04 -3.35347797e-05 -1.64276972e-04] [-1.18317156e-04 3.35347803e-05 1.64276972e-04] [-4.15486103e-04 -6.57901098e-05 1.32497429e-04] [ 1.18317156e-04 3.35347793e-05 1.64276973e-04] [ 4.15486103e-04 -6.57901099e-05 1.32497429e-04] [ 1.18317156e-04 -3.35347791e-05 -1.64276973e-04] [ 4.15486104e-04 6.57901096e-05 -1.32497430e-04] [ 1.33917877e-12 9.94593297e-13 7.19951876e-13] [-1.08496979e-13 -1.14213469e-12 -4.09892594e-13] [ 1.12732046e-12 -3.90266743e-04 -4.02330084e-04] [ 1.02289704e-13 -2.76151401e-04 2.64096691e-04] [ 6.00144934e-14 2.76151396e-04 -2.64096694e-04] [-1.40620154e-13 3.90266742e-04 4.02330086e-04] [-2.33755288e-04 -3.32793377e-04 -2.33643914e-04] [-2.33755288e-04 3.32793374e-04 2.33643914e-04] [ 2.33755288e-04 -3.32793377e-04 -2.33643915e-04] [ 2.33755288e-04 3.32793374e-04 2.33643915e-04] [-6.92420099e-05 -5.70715872e-05 -3.33264407e-04] [ 6.92420108e-05 -5.70715866e-05 -3.33264406e-04] [-6.92420111e-05 5.70715861e-05 3.33264406e-04] [ 6.92420116e-05 5.70715855e-05 3.33264406e-04] [ 1.65920663e-13 -3.90266744e-04 -4.02330083e-04] [ 5.60726812e-13 -2.76151397e-04 2.64096695e-04] [-1.48074261e-13 2.76151397e-04 -2.64096694e-04] [-2.26424782e-15 3.90266745e-04 4.02330081e-04] [-2.33755287e-04 -3.32793374e-04 -2.33643916e-04] [-2.33755286e-04 3.32793376e-04 2.33643916e-04] [ 2.33755287e-04 -3.32793374e-04 -2.33643917e-04] [ 2.33755285e-04 3.32793376e-04 2.33643918e-04] [-6.92420147e-05 -5.70715832e-05 -3.33264406e-04] [ 6.92420151e-05 -5.70715822e-05 -3.33264406e-04] [-6.92420120e-05 5.70715855e-05 3.33264407e-04] [ 6.92420109e-05 5.70715857e-05 3.33264407e-04]] Final stress: [-7.54729005e-06 1.47257037e-05 -7.54308586e-06 -5.95135274e-06 7.01598113e-16 -3.39161173e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.11568302e-05 6.97063934e-14 -8.77700046e-05] [-1.11568313e-05 -3.75255382e-14 8.77700050e-05] [ 1.99677514e-13 4.36835192e-04 -4.35016606e-14] [ 7.11930515e-14 -4.36835192e-04 -9.61453139e-14] [-8.77700047e-05 -1.43255199e-13 1.11568308e-05] [ 8.77700050e-05 1.38195011e-13 -1.11568312e-05] [ 1.11568314e-05 1.53716883e-13 -8.77700048e-05] [-1.11568306e-05 1.91484849e-13 8.77700048e-05] [-2.64024479e-13 4.36835192e-04 5.31867090e-14] [ 2.47787901e-14 -4.36835191e-04 -1.39490800e-13] [-8.77700047e-05 -1.22232495e-13 1.11568312e-05] [ 8.77700048e-05 -7.78712183e-14 -1.11568309e-05] [ 1.38580854e-04 2.03241647e-04 1.38580854e-04] [-1.45475916e-04 3.19029435e-04 1.45475917e-04] [-1.38580854e-04 2.03241646e-04 -1.38580854e-04] [ 1.45475917e-04 3.19029435e-04 -1.45475917e-04] [ 1.45475917e-04 -3.19029435e-04 -1.45475917e-04] [-1.38580854e-04 -2.03241646e-04 -1.38580854e-04] [ 1.38580854e-04 -2.03241647e-04 1.38580855e-04] [-1.45475917e-04 -3.19029435e-04 1.45475916e-04] [ 1.38580854e-04 2.03241646e-04 1.38580854e-04] [-1.45475917e-04 3.19029435e-04 1.45475917e-04] [-1.38580854e-04 2.03241647e-04 -1.38580855e-04] [ 1.45475916e-04 3.19029435e-04 -1.45475917e-04] [ 1.45475917e-04 -3.19029435e-04 -1.45475917e-04] [-1.38580855e-04 -2.03241646e-04 -1.38580854e-04] [ 1.38580854e-04 -2.03241646e-04 1.38580854e-04] [-1.45475917e-04 -3.19029435e-04 1.45475916e-04] [ 1.18513532e-12 -4.54858373e-13 6.62747635e-13] [-9.20174093e-13 -7.47768312e-13 -4.03929878e-14] [ 3.12797154e-04 5.57242140e-05 5.46486018e-05] [ 3.12797154e-04 -5.57242129e-05 5.46486034e-05] [-3.12797155e-04 5.57242120e-05 -5.46486029e-05] [-3.12797156e-04 -5.57242110e-05 -5.46486045e-05] [ 5.74146145e-04 1.87405647e-13 5.74146146e-04] [-1.17390232e-04 4.63547603e-13 1.17390230e-04] [ 1.17390231e-04 3.77933795e-13 -1.17390232e-04] [-5.74146145e-04 3.25585045e-13 -5.74146145e-04] [ 5.46486016e-05 5.57242143e-05 3.12797155e-04] [-5.46486030e-05 5.57242124e-05 -3.12797155e-04] [ 5.46486028e-05 -5.57242133e-05 3.12797154e-04] [-5.46486043e-05 -5.57242113e-05 -3.12797155e-04] [ 3.12797155e-04 5.57242123e-05 5.46486037e-05] [ 3.12797156e-04 -5.57242132e-05 5.46486024e-05] [-3.12797154e-04 5.57242124e-05 -5.46486036e-05] [-3.12797154e-04 -5.57242131e-05 -5.46486029e-05] [ 5.74146145e-04 -5.64613762e-13 5.74146145e-04] [-1.17390230e-04 -4.85281303e-13 1.17390233e-04] [ 1.17390233e-04 -4.25243608e-13 -1.17390229e-04] [-5.74146145e-04 -9.02711933e-13 -5.74146146e-04] [ 5.46486042e-05 5.57242113e-05 3.12797155e-04] [-5.46486025e-05 5.57242128e-05 -3.12797154e-04] [ 5.46486028e-05 -5.57242126e-05 3.12797155e-04] [-5.46486018e-05 -5.57242142e-05 -3.12797154e-04]] Final stress: [ 7.51560751e-06 -1.49151170e-05 7.51560750e-06 9.47628638e-17 5.70315242e-06 2.87613604e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.98124567e-05 -2.48356457e-13 9.06068115e-05] [-1.98124576e-05 -9.17044218e-14 -9.06068118e-05] [ 2.16855613e-13 4.39637108e-04 4.40212103e-14] [ 5.84532422e-14 -4.39637108e-04 -8.04634137e-14] [ 9.06068118e-05 1.65433639e-13 1.98124568e-05] [-9.06068115e-05 1.31200606e-13 -1.98124568e-05] [ 1.98124565e-05 5.34273147e-14 9.06068118e-05] [-1.98124571e-05 -1.07032872e-13 -9.06068118e-05] [-2.72438322e-14 4.39637109e-04 -3.04310539e-13] [-1.08411544e-13 -4.39637108e-04 -1.73678035e-13] [ 9.06068116e-05 7.91242857e-14 1.98124564e-05] [-9.06068120e-05 -2.13876774e-13 -1.98124573e-05] [ 1.41072914e-04 -3.21640553e-04 1.41072914e-04] [-1.41797700e-04 -2.02496656e-04 1.41797701e-04] [-1.41072914e-04 -3.21640552e-04 -1.41072914e-04] [ 1.41797701e-04 -2.02496657e-04 -1.41797701e-04] [ 1.41797701e-04 2.02496657e-04 -1.41797701e-04] [-1.41072913e-04 3.21640552e-04 -1.41072914e-04] [ 1.41072913e-04 3.21640553e-04 1.41072914e-04] [-1.41797701e-04 2.02496657e-04 1.41797701e-04] [ 1.41072913e-04 -3.21640553e-04 1.41072914e-04] [-1.41797701e-04 -2.02496657e-04 1.41797701e-04] [-1.41072914e-04 -3.21640552e-04 -1.41072914e-04] [ 1.41797701e-04 -2.02496657e-04 -1.41797701e-04] [ 1.41797700e-04 2.02496656e-04 -1.41797701e-04] [-1.41072914e-04 3.21640553e-04 -1.41072914e-04] [ 1.41072913e-04 3.21640552e-04 1.41072914e-04] [-1.41797701e-04 2.02496657e-04 1.41797701e-04] [ 8.42270698e-13 8.77076189e-15 -1.98646655e-13] [ 3.10022407e-13 -3.96752264e-13 7.52571689e-13] [-3.03657372e-04 6.02588320e-05 4.75536276e-05] [-3.03657371e-04 -6.02588326e-05 4.75536270e-05] [ 3.03657371e-04 6.02588325e-05 -4.75536271e-05] [ 3.03657371e-04 -6.02588329e-05 -4.75536270e-05] [-1.22198669e-04 -2.25375274e-14 -1.22198667e-04] [ 5.77367584e-04 -4.60855312e-13 -5.77367586e-04] [-5.77367585e-04 -9.31206501e-13 5.77367585e-04] [ 1.22198669e-04 -1.04834023e-12 1.22198668e-04] [ 4.75536300e-05 6.02588302e-05 -3.03657371e-04] [-4.75536295e-05 6.02588303e-05 3.03657371e-04] [ 4.75536287e-05 -6.02588311e-05 -3.03657371e-04] [-4.75536288e-05 -6.02588308e-05 3.03657371e-04] [-3.03657371e-04 6.02588311e-05 4.75536282e-05] [-3.03657371e-04 -6.02588302e-05 4.75536295e-05] [ 3.03657371e-04 6.02588311e-05 -4.75536286e-05] [ 3.03657371e-04 -6.02588301e-05 -4.75536290e-05] [-1.22198667e-04 6.56336952e-14 -1.22198669e-04] [ 5.77367586e-04 1.72290567e-13 -5.77367584e-04] [-5.77367587e-04 3.96603757e-13 5.77367584e-04] [ 1.22198667e-04 8.34091910e-13 1.22198669e-04] [ 4.75536270e-05 6.02588326e-05 -3.03657371e-04] [-4.75536275e-05 6.02588326e-05 3.03657371e-04] [ 4.75536285e-05 -6.02588314e-05 -3.03657371e-04] [-4.75536274e-05 -6.02588332e-05 3.03657371e-04]] Final stress: [ 7.54462824e-06 -1.48988454e-05 7.54462824e-06 1.16375447e-16 -5.66759772e-06 2.79301072e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.40129091e-06 1.67912559e-13 -6.51610453e-05] [ 6.40129070e-06 1.75609527e-13 6.51610455e-05] [ 1.53440628e-14 -4.40851841e-04 -4.41621566e-14] [ 6.60582700e-15 4.40851841e-04 -1.48991930e-13] [-6.51610454e-05 3.19202130e-14 -6.40129059e-06] [ 6.51610456e-05 5.06261699e-14 6.40128998e-06] [-6.40129079e-06 2.70339306e-13 -6.51610457e-05] [ 6.40129037e-06 -9.22309104e-15 6.51610457e-05] [ 1.44688081e-13 -4.40851840e-04 -2.57065830e-13] [ 3.89805375e-14 4.40851842e-04 -2.40186413e-13] [-6.51610455e-05 -1.62301724e-13 -6.40129190e-06] [ 6.51610454e-05 -1.94651009e-13 6.40129004e-06] [-1.63570399e-04 3.16763508e-04 -1.63570399e-04] [ 1.32972374e-04 2.17199521e-04 -1.32972374e-04] [ 1.63570399e-04 3.16763508e-04 1.63570400e-04] [-1.32972374e-04 2.17199521e-04 1.32972374e-04] [-1.32972374e-04 -2.17199520e-04 1.32972374e-04] [ 1.63570399e-04 -3.16763508e-04 1.63570400e-04] [-1.63570400e-04 -3.16763508e-04 -1.63570400e-04] [ 1.32972374e-04 -2.17199521e-04 -1.32972374e-04] [-1.63570400e-04 3.16763507e-04 -1.63570399e-04] [ 1.32972374e-04 2.17199521e-04 -1.32972374e-04] [ 1.63570399e-04 3.16763508e-04 1.63570399e-04] [-1.32972375e-04 2.17199521e-04 1.32972374e-04] [-1.32972375e-04 -2.17199521e-04 1.32972374e-04] [ 1.63570399e-04 -3.16763508e-04 1.63570399e-04] [-1.63570400e-04 -3.16763507e-04 -1.63570399e-04] [ 1.32972374e-04 -2.17199521e-04 -1.32972374e-04] [ 9.08273456e-13 2.47191156e-13 7.31498195e-13] [ 3.84540490e-13 -6.97276509e-13 1.43262015e-12] [ 3.31561519e-04 -5.72514189e-05 -6.85261812e-05] [ 3.31561520e-04 5.72514181e-05 -6.85261822e-05] [-3.31561521e-04 -5.72514181e-05 6.85261824e-05] [-3.31561520e-04 5.72514176e-05 6.85261826e-05] [ 1.00879587e-04 -4.89941421e-13 1.00879593e-04] [-5.67979135e-04 -2.72303013e-13 5.67979132e-04] [ 5.67979133e-04 -8.02621858e-13 -5.67979133e-04] [-1.00879590e-04 -8.98782784e-13 -1.00879589e-04] [-6.85261813e-05 -5.72514181e-05 3.31561520e-04] [ 6.85261802e-05 -5.72514201e-05 -3.31561519e-04] [-6.85261814e-05 5.72514183e-05 3.31561520e-04] [ 6.85261808e-05 5.72514198e-05 -3.31561519e-04] [ 3.31561520e-04 -5.72514189e-05 -6.85261814e-05] [ 3.31561520e-04 5.72514188e-05 -6.85261811e-05] [-3.31561519e-04 -5.72514198e-05 6.85261808e-05] [-3.31561519e-04 5.72514199e-05 6.85261800e-05] [ 1.00879591e-04 -3.29807296e-13 1.00879589e-04] [-5.67979133e-04 6.56785824e-13 5.67979134e-04] [ 5.67979133e-04 2.64071317e-13 -5.67979133e-04] [-1.00879589e-04 2.35020337e-13 -1.00879591e-04] [-6.85261824e-05 -5.72514183e-05 3.31561520e-04] [ 6.85261840e-05 -5.72514168e-05 -3.31561520e-04] [-6.85261806e-05 5.72514200e-05 3.31561519e-04] [ 6.85261834e-05 5.72514170e-05 -3.31561520e-04]] Final stress: [-7.54707699e-06 1.47170940e-05 -7.54707700e-06 1.16378834e-16 5.93773859e-06 2.26107449e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.42220818e-06 3.14364854e-13 6.49624899e-05] [ 4.42220830e-06 1.00114361e-13 -6.49624901e-05] [-1.20218072e-13 -4.40158171e-04 -1.11076946e-13] [ 1.58206781e-15 4.40158172e-04 5.84809978e-14] [ 6.49624898e-05 1.95360221e-14 -4.42220820e-06] [-6.49624899e-05 -1.21680443e-13 4.42220765e-06] [-4.42220827e-06 2.36782816e-13 6.49624900e-05] [ 4.42220804e-06 2.83926528e-14 -6.49624901e-05] [-1.99447663e-13 -4.40158171e-04 1.85069679e-14] [-2.11376056e-14 4.40158172e-04 -2.12625722e-13] [ 6.49624900e-05 -9.73601192e-14 -4.42220896e-06] [-6.49624901e-05 -8.02288292e-14 4.42220798e-06] [-1.32444740e-04 -2.17144695e-04 -1.32444741e-04] [ 1.64387276e-04 -3.15997982e-04 -1.64387276e-04] [ 1.32444740e-04 -2.17144695e-04 1.32444740e-04] [-1.64387276e-04 -3.15997982e-04 1.64387276e-04] [-1.64387276e-04 3.15997982e-04 1.64387276e-04] [ 1.32444740e-04 2.17144695e-04 1.32444741e-04] [-1.32444741e-04 2.17144695e-04 -1.32444741e-04] [ 1.64387276e-04 3.15997982e-04 -1.64387276e-04] [-1.32444740e-04 -2.17144695e-04 -1.32444740e-04] [ 1.64387276e-04 -3.15997981e-04 -1.64387276e-04] [ 1.32444740e-04 -2.17144695e-04 1.32444740e-04] [-1.64387276e-04 -3.15997982e-04 1.64387276e-04] [-1.64387276e-04 3.15997982e-04 1.64387276e-04] [ 1.32444741e-04 2.17144695e-04 1.32444741e-04] [-1.32444740e-04 2.17144695e-04 -1.32444740e-04] [ 1.64387276e-04 3.15997982e-04 -1.64387276e-04] [-1.14575016e-13 -4.52332616e-13 1.93844940e-13] [ 5.13101280e-13 -4.31739912e-13 7.00548570e-13] [-3.33378800e-04 -5.71477428e-05 -6.93295792e-05] [-3.33378800e-04 5.71477433e-05 -6.93295787e-05] [ 3.33378799e-04 -5.71477438e-05 6.93295787e-05] [ 3.33378799e-04 5.71477443e-05 6.93295781e-05] [-5.67381322e-04 1.95510275e-13 -5.67381323e-04] [ 9.99066965e-05 3.61752295e-13 -9.99066969e-05] [-9.99066991e-05 -1.46885976e-13 9.99066942e-05] [ 5.67381323e-04 7.91306257e-13 5.67381324e-04] [-6.93295810e-05 -5.71477413e-05 -3.33378800e-04] [ 6.93295799e-05 -5.71477426e-05 3.33378800e-04] [-6.93295787e-05 5.71477433e-05 -3.33378800e-04] [ 6.93295782e-05 5.71477438e-05 3.33378800e-04] [-3.33378800e-04 -5.71477440e-05 -6.93295783e-05] [-3.33378799e-04 5.71477420e-05 -6.93295803e-05] [ 3.33378800e-04 -5.71477426e-05 6.93295798e-05] [ 3.33378801e-04 5.71477413e-05 6.93295806e-05] [-5.67381323e-04 -4.19578229e-13 -5.67381323e-04] [ 9.99066971e-05 -4.53179811e-13 -9.99066966e-05] [-9.99066962e-05 -8.06320722e-13 9.99066977e-05] [ 5.67381323e-04 -9.97145942e-13 5.67381323e-04] [-6.93295777e-05 -5.71477450e-05 -3.33378799e-04] [ 6.93295791e-05 -5.71477434e-05 3.33378800e-04] [-6.93295781e-05 5.71477445e-05 -3.33378799e-04] [ 6.93295790e-05 5.71477435e-05 3.33378800e-04]] Final stress: [-7.54092203e-06 1.47243066e-05 -7.54092203e-06 3.34173509e-16 -5.94101322e-06 1.34666936e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.24857942e-05 -8.79639944e-05 1.39249289e-13] [-2.24857945e-05 8.79639943e-05 5.45952172e-14] [-8.81366325e-05 4.40955227e-04 -8.65869876e-14] [ 8.81366326e-05 -4.40955226e-04 1.32338585e-13] [-2.04255016e-14 8.24830655e-14 2.20481206e-05] [-3.27238237e-14 -4.48252546e-14 -2.20481218e-05] [ 2.24857947e-05 -8.79639943e-05 -2.06680661e-13] [-2.24857941e-05 8.79639946e-05 -3.81241385e-14] [-8.81366325e-05 4.40955226e-04 1.50583553e-13] [ 8.81366324e-05 -4.40955227e-04 -1.95164728e-14] [-1.19257902e-13 -8.78975313e-14 2.20481209e-05] [-9.69662718e-14 5.05581484e-14 -2.20481213e-05] [ 1.41704707e-04 -5.91540392e-05 4.04766451e-04] [-1.41704706e-04 5.91540396e-05 4.04766451e-04] [-1.40717087e-04 -6.06564227e-05 1.22718666e-04] [ 1.40717088e-04 6.06564226e-05 1.22718665e-04] [ 1.41704707e-04 -5.91540394e-05 -4.04766451e-04] [-1.41704707e-04 5.91540397e-05 -4.04766451e-04] [ 1.40717088e-04 6.06564221e-05 -1.22718665e-04] [-1.40717088e-04 -6.06564225e-05 -1.22718666e-04] [ 1.41704706e-04 -5.91540394e-05 4.04766451e-04] [-1.41704706e-04 5.91540397e-05 4.04766451e-04] [-1.40717088e-04 -6.06564226e-05 1.22718665e-04] [ 1.40717088e-04 6.06564225e-05 1.22718666e-04] [ 1.41704707e-04 -5.91540396e-05 -4.04766451e-04] [-1.41704707e-04 5.91540392e-05 -4.04766451e-04] [ 1.40717088e-04 6.06564229e-05 -1.22718666e-04] [-1.40717088e-04 -6.06564223e-05 -1.22718666e-04] [ 3.81611409e-13 -1.97480921e-13 1.15721321e-12] [-9.20192741e-13 6.61626522e-14 -2.48424861e-13] [ 3.01714266e-04 5.95733413e-05 4.69890336e-05] [-3.01714267e-04 -5.95733424e-05 4.69890330e-05] [ 3.01714266e-04 5.95733404e-05 -4.69890344e-05] [-3.01714267e-04 -5.95733411e-05 -4.69890337e-05] [ 2.27204093e-04 3.02209375e-04 2.27085716e-04] [ 2.27204093e-04 3.02209375e-04 -2.27085715e-04] [-2.27204095e-04 -3.02209376e-04 2.27085714e-04] [-2.27204094e-04 -3.02209375e-04 -2.27085714e-04] [ 3.98095937e-04 4.10604211e-04 6.34825525e-13] [ 3.03849616e-04 -2.91425029e-04 4.47321000e-13] [-3.03849616e-04 2.91425029e-04 -2.09221529e-13] [-3.98095939e-04 -4.10604209e-04 -1.14297460e-13] [ 3.01714266e-04 5.95733429e-05 4.69890322e-05] [-3.01714265e-04 -5.95733438e-05 4.69890310e-05] [ 3.01714267e-04 5.95733431e-05 -4.69890321e-05] [-3.01714265e-04 -5.95733433e-05 -4.69890318e-05] [ 2.27204092e-04 3.02209375e-04 2.27085717e-04] [ 2.27204093e-04 3.02209375e-04 -2.27085716e-04] [-2.27204092e-04 -3.02209375e-04 2.27085717e-04] [-2.27204092e-04 -3.02209376e-04 -2.27085717e-04] [ 3.98095940e-04 4.10604208e-04 4.45651440e-13] [ 3.03849616e-04 -2.91425029e-04 5.89411644e-13] [-3.03849613e-04 2.91425032e-04 6.01288421e-13] [-3.98095940e-04 -4.10604208e-04 1.00850318e-13]] Final stress: [ 7.55562254e-06 -1.48786779e-05 7.55108346e-06 -5.32002043e-17 3.15876213e-17 5.67890914e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.02266484e-05 8.75215685e-05 8.28920266e-14] [-2.02266490e-05 -8.75215684e-05 -1.51573198e-13] [ 8.76928133e-05 4.40328917e-04 1.34818372e-14] [-8.76928132e-05 -4.40328917e-04 -9.79494263e-14] [ 5.19662438e-14 -4.58738950e-14 1.97885080e-05] [ 6.45594689e-14 -1.22679644e-14 -1.97885092e-05] [ 2.02266486e-05 8.75215687e-05 8.11845632e-14] [-2.02266484e-05 -8.75215686e-05 -1.45122597e-14] [ 8.76928129e-05 4.40328917e-04 1.12437481e-13] [-8.76928134e-05 -4.40328917e-04 4.76910642e-14] [-7.30721907e-14 -2.31843359e-13 1.97885086e-05] [-1.08002583e-13 2.77453459e-13 -1.97885087e-05] [ 1.41766880e-04 -5.93676083e-05 -1.22180982e-04] [-1.41766880e-04 5.93676080e-05 -1.22180982e-04] [-1.40988812e-04 -5.96310245e-05 -4.04561509e-04] [ 1.40988813e-04 5.96310246e-05 -4.04561509e-04] [ 1.41766880e-04 -5.93676082e-05 1.22180982e-04] [-1.41766880e-04 5.93676084e-05 1.22180982e-04] [ 1.40988813e-04 5.96310250e-05 4.04561508e-04] [-1.40988812e-04 -5.96310246e-05 4.04561508e-04] [ 1.41766880e-04 -5.93676086e-05 -1.22180982e-04] [-1.41766880e-04 5.93676087e-05 -1.22180982e-04] [-1.40988812e-04 -5.96310243e-05 -4.04561509e-04] [ 1.40988813e-04 5.96310246e-05 -4.04561508e-04] [ 1.41766880e-04 -5.93676083e-05 1.22180982e-04] [-1.41766880e-04 5.93676081e-05 1.22180982e-04] [ 1.40988812e-04 5.96310250e-05 4.04561509e-04] [-1.40988813e-04 -5.96310246e-05 4.04561509e-04] [ 6.99940106e-13 -1.79856130e-13 9.28424004e-13] [-2.28756684e-13 -6.68215713e-15 5.77652054e-13] [-3.03998256e-04 5.97375462e-05 4.75893819e-05] [ 3.03998255e-04 -5.97375460e-05 4.75893824e-05] [-3.03998256e-04 5.97375446e-05 -4.75893831e-05] [ 3.03998255e-04 -5.97375444e-05 -4.75893837e-05] [ 2.27353269e-04 -3.04493006e-04 2.27235244e-04] [ 2.27353268e-04 -3.04493005e-04 -2.27235244e-04] [-2.27353269e-04 3.04493005e-04 2.27235243e-04] [-2.27353268e-04 3.04493005e-04 -2.27235243e-04] [-3.02272197e-04 -2.90281610e-04 1.11022302e-15] [-3.97718649e-04 4.09789323e-04 -1.25829902e-13] [ 3.97718647e-04 -4.09789324e-04 -8.78680809e-13] [ 3.02272196e-04 2.90281611e-04 -5.30506195e-13] [-3.03998255e-04 5.97375448e-05 4.75893829e-05] [ 3.03998255e-04 -5.97375449e-05 4.75893835e-05] [-3.03998255e-04 5.97375459e-05 -4.75893820e-05] [ 3.03998256e-04 -5.97375449e-05 -4.75893834e-05] [ 2.27353269e-04 -3.04493006e-04 2.27235243e-04] [ 2.27353270e-04 -3.04493006e-04 -2.27235242e-04] [-2.27353268e-04 3.04493006e-04 2.27235245e-04] [-2.27353269e-04 3.04493005e-04 -2.27235243e-04] [-3.02272197e-04 -2.90281610e-04 4.84797432e-13] [-3.97718648e-04 4.09789324e-04 9.01145556e-13] [ 3.97718649e-04 -4.09789323e-04 4.29416089e-13] [ 3.02272197e-04 2.90281610e-04 7.07122728e-13]] Final stress: [ 7.54991839e-06 -1.48876525e-05 7.54539098e-06 -1.99500766e-16 2.85951098e-16 -5.68509100e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.45581196e-06 -6.61002756e-05 3.34491115e-13] [ 4.45581108e-06 6.61002758e-05 2.16660023e-13] [-6.59726941e-05 -4.39679806e-04 -3.16708465e-14] [ 6.59726940e-05 4.39679805e-04 -2.02060590e-14] [-5.36229047e-14 1.35481903e-14 -4.89642631e-06] [ 2.63705724e-13 1.21569421e-13 4.89642562e-06] [-4.45581083e-06 -6.61002757e-05 -1.77654209e-13] [ 4.45581183e-06 6.61002758e-05 1.08860621e-13] [-6.59726939e-05 -4.39679805e-04 -1.60854165e-13] [ 6.59726939e-05 4.39679806e-04 -4.57975353e-14] [ 1.34401604e-13 -2.41259710e-14 -4.89642568e-06] [-1.32937931e-13 -1.65892919e-13 4.89642627e-06] [-1.64111924e-04 3.36741875e-05 1.17870963e-04] [ 1.64111924e-04 -3.36741867e-05 1.17870962e-04] [ 1.32698772e-04 6.55643394e-05 4.15075846e-04] [-1.32698772e-04 -6.55643395e-05 4.15075846e-04] [-1.64111924e-04 3.36741870e-05 -1.17870963e-04] [ 1.64111924e-04 -3.36741863e-05 -1.17870962e-04] [-1.32698772e-04 -6.55643400e-05 -4.15075845e-04] [ 1.32698772e-04 6.55643399e-05 -4.15075845e-04] [-1.64111925e-04 3.36741863e-05 1.17870962e-04] [ 1.64111924e-04 -3.36741869e-05 1.17870962e-04] [ 1.32698772e-04 6.55643403e-05 4.15075845e-04] [-1.32698772e-04 -6.55643399e-05 4.15075846e-04] [-1.64111925e-04 3.36741870e-05 -1.17870963e-04] [ 1.64111924e-04 -3.36741873e-05 -1.17870963e-04] [-1.32698772e-04 -6.55643396e-05 -4.15075846e-04] [ 1.32698772e-04 6.55643395e-05 -4.15075846e-04] [ 1.05979114e-12 1.01216258e-12 1.25302546e-12] [-1.07595053e-12 -5.92945838e-13 -8.92005509e-13] [ 3.33155788e-04 -5.68453562e-05 -6.96182103e-05] [-3.33155788e-04 5.68453552e-05 -6.96182112e-05] [ 3.33155788e-04 -5.68453577e-05 6.96182097e-05] [-3.33155789e-04 5.68453569e-05 6.96182103e-05] [-2.33761478e-04 3.32684390e-04 -2.33872961e-04] [-2.33761478e-04 3.32684389e-04 2.33872961e-04] [ 2.33761477e-04 -3.32684391e-04 -2.33872962e-04] [ 2.33761478e-04 -3.32684391e-04 2.33872961e-04] [ 2.63786577e-04 2.76443610e-04 -6.21391827e-13] [ 4.02772319e-04 -3.90106694e-04 -4.50930959e-13] [-4.02772321e-04 3.90106693e-04 -5.41544240e-13] [-2.63786576e-04 -2.76443610e-04 -4.69903630e-13] [ 3.33155789e-04 -5.68453586e-05 -6.96182085e-05] [-3.33155788e-04 5.68453599e-05 -6.96182067e-05] [ 3.33155789e-04 -5.68453584e-05 6.96182088e-05] [-3.33155788e-04 5.68453591e-05 6.96182072e-05] [-2.33761476e-04 3.32684391e-04 -2.33872963e-04] [-2.33761474e-04 3.32684391e-04 2.33872965e-04] [ 2.33761476e-04 -3.32684390e-04 -2.33872963e-04] [ 2.33761475e-04 -3.32684390e-04 2.33872964e-04] [ 2.63786573e-04 2.76443614e-04 6.10019572e-13] [ 4.02772323e-04 -3.90106690e-04 2.49019541e-13] [-4.02772322e-04 3.90106692e-04 6.07679702e-13] [-2.63786573e-04 -2.76443614e-04 -3.41364090e-13]] Final stress: [-7.54050727e-06 1.47270240e-05 -7.54470965e-06 1.94518908e-16 -3.54124166e-16 5.94401177e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.18790263e-06 6.53699000e-05 3.09072646e-13] [ 5.18790142e-06 -6.53698999e-05 8.27116153e-14] [ 6.52426629e-05 -4.40029257e-04 9.45337558e-14] [-6.52426627e-05 4.40029258e-04 1.75304216e-13] [ 1.89652113e-13 6.17075835e-14 -5.62850852e-06] [ 3.10002024e-13 -6.10622664e-14 5.62850730e-06] [-5.18790208e-06 6.53699004e-05 -1.49133975e-13] [ 5.18790257e-06 -6.53699002e-05 7.19137211e-14] [ 6.52426622e-05 -4.40029258e-04 1.85401949e-14] [-6.52426623e-05 4.40029258e-04 -2.42892866e-13] [-2.92843007e-13 2.28546143e-14 -5.62850768e-06] [-7.36520220e-14 -2.13445759e-13 5.62850770e-06] [-1.32634555e-04 6.57226146e-05 -4.15625986e-04] [ 1.32634556e-04 -6.57226140e-05 -4.15625986e-04] [ 1.64045431e-04 3.38361749e-05 -1.18551664e-04] [-1.64045430e-04 -3.38361752e-05 -1.18551664e-04] [-1.32634555e-04 6.57226144e-05 4.15625986e-04] [ 1.32634556e-04 -6.57226136e-05 4.15625986e-04] [-1.64045430e-04 -3.38361756e-05 1.18551664e-04] [ 1.64045431e-04 3.38361752e-05 1.18551664e-04] [-1.32634555e-04 6.57226143e-05 -4.15625987e-04] [ 1.32634555e-04 -6.57226140e-05 -4.15625987e-04] [ 1.64045430e-04 3.38361762e-05 -1.18551664e-04] [-1.64045431e-04 -3.38361755e-05 -1.18551664e-04] [-1.32634555e-04 6.57226139e-05 4.15625986e-04] [ 1.32634555e-04 -6.57226144e-05 4.15625986e-04] [-1.64045431e-04 -3.38361750e-05 1.18551663e-04] [ 1.64045431e-04 3.38361755e-05 1.18551663e-04] [ 1.54176671e-12 -3.70925513e-13 1.35699785e-12] [-7.74164587e-13 1.66222559e-14 -4.28092806e-13] [-3.32713904e-04 -5.71469275e-05 -6.89287432e-05] [ 3.32713903e-04 5.71469281e-05 -6.89287421e-05] [-3.32713905e-04 -5.71469297e-05 6.89287413e-05] [ 3.32713903e-04 5.71469309e-05 6.89287400e-05] [-2.33568949e-04 -3.32242847e-04 -2.33680373e-04] [-2.33568951e-04 -3.32242847e-04 2.33680372e-04] [ 2.33568946e-04 3.32242847e-04 -2.33680376e-04] [ 2.33568949e-04 3.32242847e-04 2.33680374e-04] [-4.02253113e-04 -3.90577927e-04 -8.30224778e-13] [-2.64646375e-04 2.76311913e-04 -1.21012228e-12] [ 2.64646375e-04 -2.76311914e-04 -8.59924978e-13] [ 4.02253112e-04 3.90577929e-04 -4.65150488e-13] [-3.32713902e-04 -5.71469278e-05 -6.89287433e-05] [ 3.32713903e-04 5.71469278e-05 -6.89287434e-05] [-3.32713901e-04 -5.71469258e-05 6.89287450e-05] [ 3.32713903e-04 5.71469250e-05 6.89287456e-05] [-2.33568952e-04 -3.32242848e-04 -2.33680371e-04] [-2.33568950e-04 -3.32242849e-04 2.33680373e-04] [ 2.33568953e-04 3.32242847e-04 -2.33680370e-04] [ 2.33568951e-04 3.32242848e-04 2.33680371e-04] [-4.02253110e-04 -3.90577930e-04 1.13714908e-12] [-2.64646378e-04 2.76311911e-04 1.16089093e-12] [ 2.64646380e-04 -2.76311909e-04 1.13993199e-12] [ 4.02253112e-04 3.90577927e-04 9.88655772e-13]] Final stress: [-7.54538642e-06 1.47233468e-05 -7.54959357e-06 5.15391978e-16 -3.40823728e-16 -5.95133784e-06] Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-4.40161679e-03 -1.24632639e-12 7.09179677e-13] [ 4.40161679e-03 -1.10175757e-12 8.64114336e-13] [ 7.56140810e-13 -4.40161679e-03 5.37290698e-13] [ 9.46159817e-13 4.40161679e-03 5.55111512e-13] [ 9.08064422e-13 -1.12542007e-12 -6.01308443e-03] [ 9.87793181e-13 -8.80490125e-13 6.01308443e-03] [-4.40161678e-03 -2.60969631e-13 -5.45686669e-14] [ 4.40161679e-03 6.34123396e-13 5.67645294e-13] [-4.83641772e-13 -4.40161679e-03 1.04976904e-12] [-2.67724645e-13 4.40161679e-03 -1.37401572e-13] [-1.63860115e-12 -4.86317849e-13 -6.01308443e-03] [-3.02799886e-13 4.92718859e-13 6.01308443e-03] [-1.84721753e-03 -1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 -1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 -1.84721753e-03 -1.21062116e-03] [ 1.84721753e-03 1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 -1.84721753e-03 1.21062116e-03] [-1.84721753e-03 -1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 -1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 -1.84721753e-03 -1.21062116e-03] [ 1.84721753e-03 1.84721753e-03 -1.21062116e-03] [-1.84721753e-03 1.84721753e-03 1.21062116e-03] [ 1.84721753e-03 -1.84721753e-03 1.21062116e-03] [ 3.53439500e-13 -2.46411225e-12 -3.89493993e-13] [-1.10733471e-12 9.60365784e-13 -6.38690416e-13] [ 2.15982787e-12 -6.68519843e-04 -1.33795708e-03] [ 1.29283563e-12 6.68519843e-04 -1.33795708e-03] [ 7.54896146e-13 -6.68519842e-04 1.33795708e-03] [ 1.17491607e-12 6.68519844e-04 1.33795708e-03] [-6.68519842e-04 5.27244914e-13 -1.33795708e-03] [-6.68519841e-04 -6.14300277e-13 1.33795708e-03] [ 6.68519844e-04 -6.77504927e-13 -1.33795708e-03] [ 6.68519841e-04 -1.02112936e-12 1.33795708e-03] [-4.27609419e-03 -4.27609419e-03 2.66453526e-13] [ 4.27609419e-03 -4.27609419e-03 9.85328139e-13] [-4.27609419e-03 4.27609419e-03 -3.72264719e-13] [ 4.27609419e-03 4.27609419e-03 7.06375930e-13] [ 8.20957885e-16 -6.68519843e-04 -1.33795708e-03] [ 5.63220911e-13 6.68519846e-04 -1.33795708e-03] [-4.98442433e-14 -6.68519843e-04 1.33795708e-03] [-9.60273527e-14 6.68519845e-04 1.33795708e-03] [-6.68519843e-04 7.58248630e-13 -1.33795708e-03] [-6.68519844e-04 -3.21718346e-13 1.33795708e-03] [ 6.68519841e-04 1.15978277e-12 -1.33795708e-03] [ 6.68519840e-04 -9.61603193e-13 1.33795708e-03] [-4.27609419e-03 -4.27609419e-03 -9.91921878e-13] [ 4.27609419e-03 -4.27609419e-03 -1.64262999e-13] [-4.27609419e-03 4.27609419e-03 -2.16585135e-13] [ 4.27609419e-03 4.27609419e-03 5.46806524e-14]] Final stress: [-2.26665020e-05 -2.26665020e-05 2.23151375e-04 1.98844444e-15 -4.47233741e-15 -2.14638944e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.79581228e-05 3.11035919e-14 2.03343852e-13] [-1.79581240e-05 -4.86555241e-14 7.46069873e-14] [ 6.38035631e-14 1.83966680e-05 -8.69736286e-05] [ 3.30235839e-13 -1.83966678e-05 8.69736282e-05] [ 1.32470424e-13 -8.71434163e-05 4.39747603e-04] [ 2.05752082e-13 8.71434163e-05 -4.39747604e-04] [ 1.79581235e-05 1.05045746e-13 -9.72041740e-14] [-1.79581232e-05 -2.75894758e-14 1.38478730e-13] [-1.63622588e-13 1.83966677e-05 -8.69736285e-05] [-6.63115396e-14 -1.83966680e-05 8.69736286e-05] [-1.72662665e-13 -8.71434162e-05 4.39747603e-04] [-3.65706163e-13 8.71434161e-05 -4.39747603e-04] [ 4.04465513e-04 1.40328894e-04 -6.00658280e-05] [ 1.21833061e-04 -1.42679770e-04 -5.82293292e-05] [ 1.21833061e-04 1.42679770e-04 5.82293293e-05] [ 4.04465513e-04 -1.40328893e-04 6.00658281e-05] [-1.21833061e-04 1.42679771e-04 5.82293293e-05] [-4.04465513e-04 -1.40328893e-04 6.00658280e-05] [-1.21833061e-04 -1.42679770e-04 -5.82293292e-05] [-4.04465513e-04 1.40328894e-04 -6.00658281e-05] [ 4.04465513e-04 1.40328893e-04 -6.00658280e-05] [ 1.21833061e-04 -1.42679770e-04 -5.82293293e-05] [ 1.21833061e-04 1.42679770e-04 5.82293292e-05] [ 4.04465513e-04 -1.40328893e-04 6.00658281e-05] [-1.21833061e-04 1.42679770e-04 5.82293297e-05] [-4.04465513e-04 -1.40328894e-04 6.00658279e-05] [-1.21833062e-04 -1.42679770e-04 -5.82293297e-05] [-4.04465513e-04 1.40328893e-04 -6.00658280e-05] [ 1.27481359e-12 1.58456581e-13 6.39877040e-13] [-4.63103948e-13 -9.04239255e-14 -1.72912450e-13] [-3.50053320e-13 3.98219245e-04 4.08166436e-04] [-8.01393674e-13 3.00096102e-04 -2.90224819e-04] [-5.49206514e-13 -3.00096103e-04 2.90224818e-04] [-3.39216502e-13 -3.98219243e-04 -4.08166437e-04] [ 4.89279339e-05 3.05914054e-04 5.89544478e-05] [ 4.89279339e-05 -3.05914054e-04 -5.89544482e-05] [-4.89279358e-05 3.05914054e-04 5.89544452e-05] [-4.89279356e-05 -3.05914053e-04 -5.89544458e-05] [ 2.27395939e-04 2.27513706e-04 3.06408364e-04] [-2.27395941e-04 2.27513704e-04 3.06408364e-04] [ 2.27395940e-04 -2.27513705e-04 -3.06408364e-04] [-2.27395941e-04 -2.27513703e-04 -3.06408364e-04] [ 7.50472167e-13 3.98219243e-04 4.08166437e-04] [ 1.13283211e-12 3.00096104e-04 -2.90224818e-04] [ 1.29829784e-12 -3.00096104e-04 2.90224817e-04] [ 1.06541902e-12 -3.98219244e-04 -4.08166436e-04] [ 4.89279351e-05 3.05914053e-04 5.89544463e-05] [ 4.89279366e-05 -3.05914053e-04 -5.89544450e-05] [-4.89279346e-05 3.05914053e-04 5.89544472e-05] [-4.89279349e-05 -3.05914054e-04 -5.89544468e-05] [ 2.27395941e-04 2.27513704e-04 3.06408365e-04] [-2.27395940e-04 2.27513706e-04 3.06408365e-04] [ 2.27395941e-04 -2.27513704e-04 -3.06408364e-04] [-2.27395940e-04 -2.27513706e-04 -3.06408364e-04]] Final stress: [ 7.53946053e-06 7.54397872e-06 -1.48916563e-05 5.69205600e-06 -1.71238157e-16 -4.85451864e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.91153745e-05 -5.74011325e-14 1.07233233e-13] [-1.91153743e-05 -1.57540647e-13 1.73472348e-14] [-9.76367424e-14 1.95536895e-05 8.71298515e-05] [-3.19189120e-14 -1.95536892e-05 -8.71298513e-05] [ 2.03068031e-13 8.73002801e-05 4.40070326e-04] [ 1.88737914e-13 -8.73002801e-05 -4.40070327e-04] [ 1.91153740e-05 1.17517541e-13 -1.54546046e-13] [-1.91153741e-05 -3.18647018e-14 1.70771867e-13] [-1.32325574e-13 1.95536888e-05 8.71298512e-05] [-1.21216405e-13 -1.95536893e-05 -8.71298514e-05] [ 4.46170878e-14 8.73002806e-05 4.40070326e-04] [-1.60934634e-13 -8.73002802e-05 -4.40070326e-04] [-1.22148032e-04 1.42163524e-04 -5.88674367e-05] [-4.04607860e-04 -1.40671964e-04 -5.98446667e-05] [-4.04607859e-04 1.40671963e-04 5.98446672e-05] [-1.22148032e-04 -1.42163524e-04 5.88674365e-05] [ 4.04607860e-04 1.40671963e-04 5.98446668e-05] [ 1.22148032e-04 -1.42163524e-04 5.88674368e-05] [ 4.04607861e-04 -1.40671964e-04 -5.98446665e-05] [ 1.22148032e-04 1.42163524e-04 -5.88674366e-05] [-1.22148032e-04 1.42163523e-04 -5.88674369e-05] [-4.04607860e-04 -1.40671963e-04 -5.98446675e-05] [-4.04607861e-04 1.40671964e-04 5.98446667e-05] [-1.22148032e-04 -1.42163524e-04 5.88674367e-05] [ 4.04607860e-04 1.40671963e-04 5.98446669e-05] [ 1.22148032e-04 -1.42163524e-04 5.88674366e-05] [ 4.04607860e-04 -1.40671963e-04 -5.98446672e-05] [ 1.22148032e-04 1.42163524e-04 -5.88674369e-05] [-1.90680804e-14 -5.19029264e-13 1.16587295e-12] [-6.35214971e-13 7.19477536e-13 -7.47032577e-13] [-2.76889622e-13 -3.00858178e-04 -2.90846425e-04] [-1.71772319e-14 -3.98435900e-04 4.08525303e-04] [-4.76948342e-13 3.98435900e-04 -4.08525303e-04] [ 1.14063273e-13 3.00858178e-04 2.90846425e-04] [ 4.86550832e-05 -3.04765149e-04 5.88230969e-05] [ 4.86550825e-05 3.04765149e-04 -5.88230973e-05] [-4.86550842e-05 -3.04765149e-04 5.88230964e-05] [-4.86550827e-05 3.04765149e-04 -5.88230974e-05] [ 2.27314779e-04 2.27432716e-04 -3.05259605e-04] [-2.27314780e-04 2.27432714e-04 -3.05259606e-04] [ 2.27314779e-04 -2.27432715e-04 3.05259605e-04] [-2.27314780e-04 -2.27432714e-04 3.05259605e-04] [ 1.26478689e-13 -3.00858176e-04 -2.90846427e-04] [ 5.56887002e-13 -3.98435901e-04 4.08525301e-04] [ 3.48780900e-13 3.98435902e-04 -4.08525300e-04] [ 8.51736650e-13 3.00858175e-04 2.90846427e-04] [ 4.86550812e-05 -3.04765150e-04 5.88230985e-05] [ 4.86550816e-05 3.04765149e-04 -5.88230982e-05] [-4.86550808e-05 -3.04765149e-04 5.88230998e-05] [-4.86550804e-05 3.04765149e-04 -5.88231001e-05] [ 2.27314782e-04 2.27432713e-04 -3.05259604e-04] [-2.27314782e-04 2.27432713e-04 -3.05259604e-04] [ 2.27314782e-04 -2.27432712e-04 3.05259605e-04] [-2.27314782e-04 -2.27432712e-04 3.05259605e-04]] Final stress: [ 7.54246155e-06 7.54698580e-06 -1.48868082e-05 -5.68963051e-06 2.82626085e-17 2.04488285e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.00391795e-06 1.00165969e-13 -4.51275302e-14] [ 5.00391722e-06 -1.24927846e-13 9.34807787e-14] [ 2.72217145e-14 -4.56331439e-06 -6.60660774e-05] [ 1.88599136e-13 4.56331503e-06 6.60660776e-05] [-4.71549882e-14 -6.59385253e-05 -4.39696273e-04] [-2.16826557e-13 6.59385255e-05 4.39696273e-04] [-5.00391849e-06 -6.48829948e-15 -1.24092780e-13] [ 5.00391764e-06 5.88669738e-14 3.24677350e-14] [-1.89787422e-14 -4.56331463e-06 -6.60660776e-05] [ 8.36895657e-14 4.56331497e-06 6.60660778e-05] [-1.40945849e-13 -6.59385254e-05 -4.39696273e-04] [-1.98667471e-13 6.59385255e-05 4.39696272e-04] [ 1.17922297e-04 -1.64083555e-04 3.37052663e-05] [ 4.15108037e-04 1.32708014e-04 6.55577681e-05] [ 4.15108037e-04 -1.32708013e-04 -6.55577687e-05] [ 1.17922297e-04 1.64083555e-04 -3.37052664e-05] [-4.15108037e-04 -1.32708013e-04 -6.55577686e-05] [-1.17922297e-04 1.64083555e-04 -3.37052666e-05] [-4.15108037e-04 1.32708014e-04 6.55577684e-05] [-1.17922297e-04 -1.64083555e-04 3.37052662e-05] [ 1.17922297e-04 -1.64083555e-04 3.37052660e-05] [ 4.15108037e-04 1.32708014e-04 6.55577679e-05] [ 4.15108037e-04 -1.32708014e-04 -6.55577685e-05] [ 1.17922297e-04 1.64083555e-04 -3.37052664e-05] [-4.15108038e-04 -1.32708014e-04 -6.55577683e-05] [-1.17922297e-04 1.64083555e-04 -3.37052666e-05] [-4.15108037e-04 1.32708014e-04 6.55577679e-05] [-1.17922297e-04 -1.64083555e-04 3.37052663e-05] [ 9.40553191e-13 -4.69846384e-13 1.26176847e-13] [ 3.01870508e-13 -9.39194210e-13 8.90851197e-13] [ 4.62185845e-13 2.63607868e-04 2.76742820e-04] [ 6.54580556e-13 4.03016701e-04 -3.89873361e-04] [ 8.65890692e-13 -4.03016702e-04 3.89873360e-04] [ 1.80949006e-13 -2.63607867e-04 -2.76742821e-04] [-6.98297708e-05 3.33075505e-04 -5.65790848e-05] [-6.98297700e-05 -3.33075506e-04 5.65790854e-05] [ 6.98297712e-05 3.33075505e-04 -5.65790847e-05] [ 6.98297708e-05 -3.33075505e-04 5.65790851e-05] [-2.33876724e-04 -2.33765221e-04 3.32604129e-04] [ 2.33876725e-04 -2.33765221e-04 3.32604130e-04] [-2.33876723e-04 2.33765222e-04 -3.32604129e-04] [ 2.33876723e-04 2.33765222e-04 -3.32604128e-04] [ 6.25419855e-14 2.63607866e-04 2.76742822e-04] [ 2.81298422e-14 4.03016702e-04 -3.89873360e-04] [-2.15447452e-13 -4.03016705e-04 3.89873359e-04] [ 2.82043486e-13 -2.63607866e-04 -2.76742821e-04] [-6.98297697e-05 3.33075504e-04 -5.65790859e-05] [-6.98297692e-05 -3.33075505e-04 5.65790861e-05] [ 6.98297696e-05 3.33075504e-04 -5.65790860e-05] [ 6.98297687e-05 -3.33075505e-04 5.65790866e-05] [-2.33876726e-04 -2.33765220e-04 3.32604130e-04] [ 2.33876726e-04 -2.33765220e-04 3.32604129e-04] [-2.33876725e-04 2.33765220e-04 -3.32604129e-04] [ 2.33876725e-04 2.33765221e-04 -3.32604129e-04]] Final stress: [-7.54463638e-06 -7.54043343e-06 1.47257572e-05 5.94429544e-06 -2.37745332e-16 -3.49136501e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.84666069e-06 -3.31904643e-14 4.73536141e-14] [ 4.84665914e-06 3.84969834e-14 1.30423450e-13] [-2.56994946e-14 -4.40591725e-06 6.53912233e-05] [-7.77433673e-14 4.40591949e-06 -6.53912234e-05] [ 1.17256031e-13 6.52641538e-05 -4.39843923e-04] [ 2.67563749e-14 -6.52641538e-05 4.39843922e-04] [-4.84666011e-06 1.94407424e-13 1.06988941e-13] [ 4.84666031e-06 -5.15663900e-14 -9.12437502e-14] [-1.90767541e-14 -4.40591875e-06 6.53912235e-05] [ 3.31288816e-14 4.40591804e-06 -6.53912231e-05] [ 1.45793100e-13 6.52641542e-05 -4.39843923e-04] [ 7.09141947e-14 -6.52641540e-05 4.39843922e-04] [-4.15501073e-04 -1.32476614e-04 6.58317631e-05] [-1.18298072e-04 1.64331776e-04 3.35009538e-05] [-1.18298072e-04 -1.64331777e-04 -3.35009535e-05] [-4.15501073e-04 1.32476614e-04 -6.58317635e-05] [ 1.18298072e-04 -1.64331776e-04 -3.35009537e-05] [ 4.15501073e-04 1.32476614e-04 -6.58317631e-05] [ 1.18298072e-04 1.64331776e-04 3.35009543e-05] [ 4.15501073e-04 -1.32476614e-04 6.58317626e-05] [-4.15501074e-04 -1.32476615e-04 6.58317630e-05] [-1.18298072e-04 1.64331776e-04 3.35009534e-05] [-1.18298073e-04 -1.64331776e-04 -3.35009543e-05] [-4.15501074e-04 1.32476615e-04 -6.58317628e-05] [ 1.18298072e-04 -1.64331777e-04 -3.35009539e-05] [ 4.15501073e-04 1.32476614e-04 -6.58317633e-05] [ 1.18298072e-04 1.64331777e-04 3.35009530e-05] [ 4.15501073e-04 -1.32476614e-04 6.58317634e-05] [ 1.69109171e-12 -1.85337856e-12 9.40719724e-13] [-8.69029675e-13 9.01861074e-13 2.90802574e-13] [-4.31210623e-13 -4.01353447e-04 -3.91248264e-04] [-1.42594270e-15 -2.64988249e-04 2.75083725e-04] [-5.64069624e-13 2.64988251e-04 -2.75083724e-04] [-1.63220132e-13 4.01353448e-04 3.91248263e-04] [-6.83078680e-05 -3.33392227e-04 -5.80962092e-05] [-6.83078697e-05 3.33392229e-04 5.80962078e-05] [ 6.83078669e-05 -3.33392228e-04 -5.80962107e-05] [ 6.83078679e-05 3.33392228e-04 5.80962100e-05] [-2.33697499e-04 -2.33586195e-04 -3.32921163e-04] [ 2.33697498e-04 -2.33586195e-04 -3.32921163e-04] [-2.33697497e-04 2.33586196e-04 3.32921162e-04] [ 2.33697496e-04 2.33586197e-04 3.32921162e-04] [ 1.16641245e-12 -4.01353446e-04 -3.91248265e-04] [ 1.01125662e-12 -2.64988251e-04 2.75083723e-04] [ 5.93008715e-13 2.64988251e-04 -2.75083724e-04] [ 3.06388595e-13 4.01353443e-04 3.91248268e-04] [-6.83078698e-05 -3.33392230e-04 -5.80962075e-05] [-6.83078698e-05 3.33392228e-04 5.80962076e-05] [ 6.83078699e-05 -3.33392230e-04 -5.80962074e-05] [ 6.83078703e-05 3.33392228e-04 5.80962079e-05] [-2.33697495e-04 -2.33586199e-04 -3.32921161e-04] [ 2.33697496e-04 -2.33586198e-04 -3.32921161e-04] [-2.33697495e-04 2.33586198e-04 3.32921162e-04] [ 2.33697497e-04 2.33586196e-04 3.32921162e-04]] Final stress: [-7.54882389e-06 -7.54462031e-06 1.47294158e-05 -5.95164337e-06 3.79062487e-16 2.75984092e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.63317208e-05 -5.02757558e-14 -8.65681903e-05] [-1.63317219e-05 -3.74422715e-14 8.65681907e-05] [ 2.18365690e-13 1.58927550e-05 -1.18330259e-13] [ 3.52606833e-13 -1.58927541e-05 -2.01977324e-13] [-8.67364872e-05 9.99816549e-14 4.39044977e-04] [ 8.67364873e-05 7.35522754e-14 -4.39044978e-04] [ 1.63317220e-05 1.63625190e-13 -8.65681907e-05] [-1.63317211e-05 1.91123593e-13 8.65681907e-05] [-1.36573045e-13 1.58927546e-05 5.06051825e-14] [-1.84223296e-14 -1.58927544e-05 -1.59846541e-13] [-8.67364873e-05 -3.89371046e-14 4.39044977e-04] [ 8.67364870e-05 -7.16587787e-14 -4.39044977e-04] [ 1.39647644e-04 4.04227731e-04 -6.04795613e-05] [-1.43648767e-04 1.21308587e-04 -5.69928978e-05] [-1.39647644e-04 4.04227730e-04 6.04795614e-05] [ 1.43648767e-04 1.21308588e-04 5.69928975e-05] [ 1.43648767e-04 -1.21308587e-04 5.69928978e-05] [-1.39647643e-04 -4.04227730e-04 6.04795614e-05] [ 1.39647644e-04 -4.04227731e-04 -6.04795609e-05] [-1.43648767e-04 -1.21308588e-04 -5.69928980e-05] [ 1.39647643e-04 4.04227730e-04 -6.04795618e-05] [-1.43648767e-04 1.21308587e-04 -5.69928975e-05] [-1.39647644e-04 4.04227731e-04 6.04795606e-05] [ 1.43648767e-04 1.21308588e-04 5.69928981e-05] [ 1.43648767e-04 -1.21308587e-04 5.69928977e-05] [-1.39647644e-04 -4.04227731e-04 6.04795611e-05] [ 1.39647643e-04 -4.04227730e-04 -6.04795616e-05] [-1.43648767e-04 -1.21308588e-04 -5.69928973e-05] [ 1.40448764e-12 -6.33437747e-13 6.55420163e-13] [-7.40138419e-13 4.68889852e-14 -3.15931684e-13] [ 3.08017313e-04 5.07503771e-05 5.77812194e-05] [ 3.08017312e-04 -5.07503758e-05 5.77812211e-05] [-3.08017314e-04 5.07503757e-05 -5.77812202e-05] [-3.08017314e-04 -5.07503747e-05 -5.77812219e-05] [ 3.99122499e-04 -1.99618100e-13 4.06071785e-04] [-2.97354917e-04 5.86643581e-13 2.90476570e-04] [ 2.97354916e-04 -5.34138705e-14 -2.90476572e-04] [-3.99122501e-04 2.18557811e-13 -4.06071782e-04] [ 2.27739362e-04 2.27621842e-04 3.08511228e-04] [-2.27739363e-04 2.27621841e-04 -3.08511228e-04] [ 2.27739363e-04 -2.27621841e-04 3.08511227e-04] [-2.27739364e-04 -2.27621840e-04 -3.08511228e-04] [ 3.08017314e-04 5.07503751e-05 5.77812215e-05] [ 3.08017314e-04 -5.07503760e-05 5.77812207e-05] [-3.08017312e-04 5.07503751e-05 -5.77812218e-05] [-3.08017312e-04 -5.07503747e-05 -5.77812219e-05] [ 3.99122501e-04 -9.81249448e-13 4.06071783e-04] [-2.97354915e-04 -8.41190615e-13 2.90476573e-04] [ 2.97354916e-04 -8.45492079e-13 -2.90476571e-04] [-3.99122501e-04 -8.32751836e-13 -4.06071783e-04] [ 2.27739364e-04 2.27621840e-04 3.08511228e-04] [-2.27739362e-04 2.27621842e-04 -3.08511228e-04] [ 2.27739363e-04 -2.27621841e-04 3.08511228e-04] [-2.27739361e-04 -2.27621843e-04 -3.08511227e-04]] Final stress: [ 7.53619921e-06 7.53169173e-06 -1.48956639e-05 4.33914166e-16 5.69764336e-06 -6.08477336e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.68421620e-05 -3.88656121e-14 8.66596654e-05] [-1.68421632e-05 -1.87461158e-13 -8.66596651e-05] [ 3.02336281e-14 1.64033013e-05 -6.71238239e-14] [ 2.63344901e-13 -1.64033011e-05 -2.15605311e-13] [ 8.68281658e-05 -4.06450047e-14 4.39127329e-04] [-8.68281656e-05 4.87665464e-14 -4.39127329e-04] [ 1.68421629e-05 -1.50727954e-13 8.66596654e-05] [-1.68421622e-05 8.19982103e-14 -8.66596653e-05] [-1.19305607e-15 1.64033017e-05 -6.26044298e-14] [-1.59506089e-13 -1.64033013e-05 -1.90517414e-13] [ 8.68281659e-05 9.58745702e-14 4.39127328e-04] [-8.68281659e-05 4.06896086e-14 -4.39127329e-04] [ 1.43419712e-04 -1.21419883e-04 -5.72537159e-05] [-1.39794540e-04 -4.04257122e-04 -6.03643165e-05] [-1.43419712e-04 -1.21419883e-04 5.72537164e-05] [ 1.39794541e-04 -4.04257123e-04 6.03643158e-05] [ 1.39794541e-04 4.04257123e-04 6.03643159e-05] [-1.43419713e-04 1.21419883e-04 5.72537160e-05] [ 1.43419712e-04 1.21419883e-04 -5.72537158e-05] [-1.39794540e-04 4.04257122e-04 -6.03643167e-05] [ 1.43419713e-04 -1.21419884e-04 -5.72537165e-05] [-1.39794541e-04 -4.04257123e-04 -6.03643157e-05] [-1.43419713e-04 -1.21419884e-04 5.72537157e-05] [ 1.39794540e-04 -4.04257122e-04 6.03643165e-05] [ 1.39794540e-04 4.04257123e-04 6.03643165e-05] [-1.43419713e-04 1.21419883e-04 5.72537157e-05] [ 1.43419713e-04 1.21419884e-04 -5.72537167e-05] [-1.39794541e-04 4.04257123e-04 -6.03643164e-05] [ 1.53255186e-12 -2.03448369e-14 -4.92661467e-14] [-8.95271704e-13 1.87115153e-13 1.18608797e-12] [-3.07513518e-04 5.12288130e-05 5.71056717e-05] [-3.07513519e-04 -5.12288138e-05 5.71056706e-05] [ 3.07513519e-04 5.12288123e-05 -5.71056714e-05] [ 3.07513517e-04 -5.12288118e-05 -5.71056720e-05] [-2.97085927e-04 -2.88435942e-13 -2.91361678e-04] [ 3.99810553e-04 -5.65590977e-13 -4.05605733e-04] [-3.99810552e-04 4.96287039e-14 4.05605733e-04] [ 2.97085926e-04 1.48053445e-13 2.91361679e-04] [ 2.27749345e-04 2.27631714e-04 -3.08007484e-04] [-2.27749347e-04 2.27631712e-04 3.08007484e-04] [ 2.27749346e-04 -2.27631713e-04 -3.08007483e-04] [-2.27749347e-04 -2.27631712e-04 3.08007484e-04] [-3.07513518e-04 5.12288128e-05 5.71056713e-05] [-3.07513518e-04 -5.12288135e-05 5.71056705e-05] [ 3.07513519e-04 5.12288122e-05 -5.71056719e-05] [ 3.07513519e-04 -5.12288122e-05 -5.71056710e-05] [-2.97085926e-04 -2.87614409e-13 -2.91361679e-04] [ 3.99810553e-04 2.35524707e-13 -4.05605732e-04] [-3.99810551e-04 -6.49954049e-13 4.05605735e-04] [ 2.97085927e-04 -2.53481264e-13 2.91361678e-04] [ 2.27749346e-04 2.27631713e-04 -3.08007483e-04] [-2.27749346e-04 2.27631713e-04 3.08007484e-04] [ 2.27749347e-04 -2.27631713e-04 -3.08007484e-04] [-2.27749347e-04 -2.27631712e-04 3.08007483e-04]] Final stress: [ 7.53628756e-06 7.53177747e-06 -1.48917088e-05 2.62676009e-16 -5.69629932e-06 -1.14712940e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.43759837e-06 -9.90180160e-14 -6.60111509e-05] [ 4.43759811e-06 -1.39360745e-13 6.60111511e-05] [-5.27876354e-14 -4.87822833e-06 8.55149285e-14] [-1.25455202e-14 4.87822852e-06 1.75331971e-13] [-6.58836441e-05 1.25414869e-13 -4.39690431e-04] [ 6.58836441e-05 -1.78607129e-13 4.39690430e-04] [-4.43759765e-06 1.56685429e-13 -6.60111511e-05] [ 4.43759818e-06 -2.63322350e-14 6.60111511e-05] [ 6.74850800e-14 -4.87822861e-06 -9.78598240e-14] [ 1.02625373e-13 4.87822866e-06 -1.90068085e-13] [-6.58836439e-05 1.01952990e-13 -4.39690431e-04] [ 6.58836441e-05 -2.13042601e-13 4.39690431e-04] [-1.64144031e-04 1.17918892e-04 3.36445627e-05] [ 1.32666979e-04 4.15124144e-04 6.55984546e-05] [ 1.64144031e-04 1.17918891e-04 -3.36445627e-05] [-1.32666979e-04 4.15124144e-04 -6.55984549e-05] [-1.32666979e-04 -4.15124144e-04 -6.55984548e-05] [ 1.64144031e-04 -1.17918891e-04 -3.36445624e-05] [-1.64144031e-04 -1.17918892e-04 3.36445627e-05] [ 1.32666979e-04 -4.15124144e-04 6.55984548e-05] [-1.64144031e-04 1.17918891e-04 3.36445623e-05] [ 1.32666979e-04 4.15124144e-04 6.55984548e-05] [ 1.64144031e-04 1.17918891e-04 -3.36445629e-05] [-1.32666979e-04 4.15124144e-04 -6.55984547e-05] [-1.32666979e-04 -4.15124144e-04 -6.55984549e-05] [ 1.64144031e-04 -1.17918892e-04 -3.36445628e-05] [-1.64144032e-04 -1.17918892e-04 3.36445621e-05] [ 1.32666979e-04 -4.15124143e-04 6.55984548e-05] [ 6.31300567e-13 -1.66339165e-13 9.30755473e-13] [-7.35953833e-13 -5.72455374e-13 -2.27468908e-13] [ 3.33195559e-04 -6.95045583e-05 -5.69539592e-05] [ 3.33195559e-04 6.95045589e-05 -5.69539581e-05] [-3.33195558e-04 -6.95045586e-05 5.69539589e-05] [-3.33195559e-04 6.95045596e-05 5.69539577e-05] [ 2.63880404e-04 -7.57172103e-14 2.76315183e-04] [-4.02638869e-04 5.47563730e-13 3.90195434e-04] [ 4.02638868e-04 4.76741910e-13 -3.90195435e-04] [-2.63880402e-04 6.33297234e-13 -2.76315184e-04] [-2.33743651e-04 -2.33855117e-04 3.32724207e-04] [ 2.33743652e-04 -2.33855116e-04 -3.32724207e-04] [-2.33743651e-04 2.33855118e-04 3.32724207e-04] [ 2.33743652e-04 2.33855116e-04 -3.32724208e-04] [ 3.33195558e-04 -6.95045611e-05 -5.69539561e-05] [ 3.33195558e-04 6.95045608e-05 -5.69539568e-05] [-3.33195559e-04 -6.95045595e-05 5.69539574e-05] [-3.33195558e-04 6.95045595e-05 5.69539574e-05] [ 2.63880404e-04 -1.59014254e-13 2.76315182e-04] [-4.02638868e-04 -2.57725482e-13 3.90195435e-04] [ 4.02638867e-04 -2.54192067e-13 -3.90195436e-04] [-2.63880406e-04 -3.29629119e-13 -2.76315181e-04] [-2.33743653e-04 -2.33855116e-04 3.32724209e-04] [ 2.33743653e-04 -2.33855116e-04 -3.32724207e-04] [-2.33743654e-04 2.33855115e-04 3.32724209e-04] [ 2.33743654e-04 2.33855116e-04 -3.32724207e-04]] Final stress: [-7.54088649e-06 -7.54508894e-06 1.47271908e-05 7.16561105e-16 5.94497468e-06 9.97532861e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.20053732e-06 -1.88966898e-13 6.55217131e-05] [ 5.20053688e-06 -8.52928839e-14 -6.55217130e-05] [ 3.55097896e-14 -5.64111593e-06 1.25936588e-13] [-1.39249723e-13 5.64111596e-06 3.20299343e-14] [ 6.53942643e-05 1.22649720e-13 -4.40060115e-04] [-6.53942641e-05 4.30211422e-15 4.40060115e-04] [-5.20053683e-06 2.01117335e-13 6.55217129e-05] [ 5.20053783e-06 -1.13689873e-13 -6.55217129e-05] [-1.12229236e-13 -5.64111633e-06 -9.89462154e-14] [ 2.73331704e-14 5.64111601e-06 3.55960912e-14] [ 6.53942640e-05 5.63829847e-14 -4.40060114e-04] [-6.53942643e-05 -8.62189072e-14 4.40060114e-04] [-1.32694622e-04 -4.15557285e-04 6.56767712e-05] [ 1.63992272e-04 -1.18476149e-04 3.39033746e-05] [ 1.32694622e-04 -4.15557286e-04 -6.56767714e-05] [-1.63992271e-04 -1.18476149e-04 -3.39033749e-05] [-1.63992271e-04 1.18476149e-04 -3.39033747e-05] [ 1.32694622e-04 4.15557286e-04 -6.56767717e-05] [-1.32694622e-04 4.15557285e-04 6.56767718e-05] [ 1.63992272e-04 1.18476149e-04 3.39033742e-05] [-1.32694622e-04 -4.15557285e-04 6.56767714e-05] [ 1.63992271e-04 -1.18476149e-04 3.39033742e-05] [ 1.32694622e-04 -4.15557285e-04 -6.56767717e-05] [-1.63992271e-04 -1.18476149e-04 -3.39033743e-05] [-1.63992271e-04 1.18476149e-04 -3.39033744e-05] [ 1.32694622e-04 4.15557285e-04 -6.56767716e-05] [-1.32694622e-04 4.15557286e-04 6.56767714e-05] [ 1.63992271e-04 1.18476150e-04 3.39033742e-05] [ 1.07192033e-13 -2.99538172e-13 6.52478072e-13] [-9.42966625e-13 6.75232949e-13 5.36827647e-13] [-3.32652613e-04 -6.85548966e-05 -5.75561397e-05] [-3.32652613e-04 6.85548960e-05 -5.75561400e-05] [ 3.32652611e-04 -6.85548947e-05 5.75561414e-05] [ 3.32652611e-04 6.85548947e-05 5.75561414e-05] [-4.01913277e-04 -2.68784994e-13 -3.91020842e-04] [ 2.65054224e-04 -3.66054409e-13 -2.75936382e-04] [-2.65054226e-04 -6.12900355e-13 2.75936380e-04] [ 4.01913276e-04 -8.87623308e-13 3.91020843e-04] [-2.33558144e-04 -2.33669568e-04 -3.32181455e-04] [ 2.33558143e-04 -2.33669570e-04 3.32181455e-04] [-2.33558144e-04 2.33669568e-04 -3.32181455e-04] [ 2.33558144e-04 2.33669569e-04 3.32181456e-04] [-3.32652612e-04 -6.85548947e-05 -5.75561415e-05] [-3.32652612e-04 6.85548962e-05 -5.75561400e-05] [ 3.32652613e-04 -6.85548945e-05 5.75561414e-05] [ 3.32652613e-04 6.85548957e-05 5.75561408e-05] [-4.01913275e-04 -1.72680871e-14 -3.91020843e-04] [ 2.65054224e-04 5.85753668e-13 -2.75936382e-04] [-2.65054224e-04 8.30776420e-14 2.75936382e-04] [ 4.01913278e-04 2.51635518e-13 3.91020841e-04] [-2.33558143e-04 -2.33669570e-04 -3.32181455e-04] [ 2.33558144e-04 -2.33669568e-04 3.32181455e-04] [-2.33558142e-04 2.33669570e-04 -3.32181455e-04] [ 2.33558143e-04 2.33669568e-04 3.32181455e-04]] Final stress: [-7.54582717e-06 -7.55003408e-06 1.47248456e-05 3.15885406e-17 -5.94974428e-06 1.37992046e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.17057647e-05 -8.77329619e-05 1.33743711e-13] [-1.17057654e-05 8.77329620e-05 1.60982339e-15] [-8.77329621e-05 1.17057648e-05 -1.72027323e-13] [ 8.77329619e-05 -1.17057652e-05 -1.56819002e-14] [ 3.90178341e-14 2.85375022e-14 4.36883976e-04] [ 1.80744308e-13 -6.94444502e-14 -4.36883977e-04] [ 1.17057653e-05 -8.77329620e-05 -1.33491878e-13] [-1.17057649e-05 8.77329620e-05 1.29046362e-15] [-8.77329621e-05 1.17057659e-05 7.06692939e-14] [ 8.77329618e-05 -1.17057647e-05 1.03796042e-14] [-1.67252930e-13 7.71372521e-14 4.36883977e-04] [-1.37102135e-13 1.36973547e-13 -4.36883976e-04] [ 1.38684684e-04 1.38684684e-04 2.03320110e-04] [-1.38684683e-04 -1.38684683e-04 2.03320109e-04] [-1.45279296e-04 1.45279296e-04 3.19234176e-04] [ 1.45279296e-04 -1.45279296e-04 3.19234176e-04] [ 1.38684684e-04 1.38684684e-04 -2.03320110e-04] [-1.38684683e-04 -1.38684683e-04 -2.03320109e-04] [ 1.45279296e-04 -1.45279296e-04 -3.19234176e-04] [-1.45279296e-04 1.45279296e-04 -3.19234176e-04] [ 1.38684683e-04 1.38684683e-04 2.03320110e-04] [-1.38684684e-04 -1.38684683e-04 2.03320110e-04] [-1.45279296e-04 1.45279296e-04 3.19234176e-04] [ 1.45279296e-04 -1.45279296e-04 3.19234176e-04] [ 1.38684683e-04 1.38684683e-04 -2.03320110e-04] [-1.38684684e-04 -1.38684684e-04 -2.03320110e-04] [ 1.45279296e-04 -1.45279296e-04 -3.19234176e-04] [-1.45279296e-04 1.45279296e-04 -3.19234176e-04] [ 6.84230450e-13 5.65353320e-13 1.78967952e-13] [-7.73146738e-13 -1.48638605e-12 -4.12777872e-13] [ 3.12313602e-04 5.57699094e-05 5.43490198e-05] [-3.12313602e-04 -5.57699093e-05 5.43490199e-05] [ 3.12313602e-04 5.57699074e-05 -5.43490214e-05] [-3.12313603e-04 -5.57699074e-05 -5.43490214e-05] [ 5.57699090e-05 3.12313602e-04 5.43490196e-05] [ 5.57699087e-05 3.12313603e-04 -5.43490202e-05] [-5.57699101e-05 -3.12313603e-04 5.43490185e-05] [-5.57699088e-05 -3.12313602e-04 -5.43490199e-05] [ 5.74393195e-04 5.74393200e-04 -7.44071471e-13] [ 1.17547798e-04 -1.17547798e-04 -3.12258899e-13] [-1.17547799e-04 1.17547796e-04 -1.22859362e-12] [-5.74393198e-04 -5.74393197e-04 -1.08823020e-12] [ 3.12313603e-04 5.57699082e-05 5.43490206e-05] [-3.12313602e-04 -5.57699097e-05 5.43490192e-05] [ 3.12313603e-04 5.57699102e-05 -5.43490190e-05] [-3.12313601e-04 -5.57699102e-05 -5.43490193e-05] [ 5.57699077e-05 3.12313602e-04 5.43490212e-05] [ 5.57699095e-05 3.12313602e-04 -5.43490197e-05] [-5.57699064e-05 -3.12313603e-04 5.43490224e-05] [-5.57699088e-05 -3.12313603e-04 -5.43490206e-05] [ 5.74393198e-04 5.74393197e-04 1.04914529e-12] [ 1.17547797e-04 -1.17547798e-04 -2.05358530e-14] [-1.17547797e-04 1.17547798e-04 8.06856528e-13] [-5.74393197e-04 -5.74393197e-04 7.73207453e-13]] Final stress: [ 7.51484157e-06 7.51484157e-06 -1.49090057e-05 -3.32501277e-18 -4.05651557e-16 5.70309787e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.25419371e-05 9.13588330e-05 7.18045415e-15] [-2.25419379e-05 -9.13588329e-05 -2.03947970e-13] [ 9.13588330e-05 2.25419378e-05 1.88527579e-13] [-9.13588330e-05 -2.25419370e-05 2.12524442e-13] [ 6.15891886e-14 -2.61342163e-13 4.40328770e-04] [ 2.02837747e-13 1.31061828e-13 -4.40328770e-04] [ 2.25419377e-05 9.13588332e-05 4.80329333e-14] [-2.25419374e-05 -9.13588329e-05 -2.12079446e-13] [ 9.13588328e-05 2.25419382e-05 1.08005208e-13] [-9.13588331e-05 -2.25419371e-05 -1.07240661e-13] [-1.26551113e-13 3.68514257e-15 4.40328770e-04] [ 1.41076387e-15 -7.74668419e-14 -4.40328770e-04] [ 1.39742670e-04 1.39742670e-04 -3.22420413e-04] [-1.39742670e-04 -1.39742670e-04 -3.22420413e-04] [-1.42724202e-04 1.42724202e-04 -2.02338590e-04] [ 1.42724203e-04 -1.42724202e-04 -2.02338590e-04] [ 1.39742670e-04 1.39742670e-04 3.22420413e-04] [-1.39742670e-04 -1.39742670e-04 3.22420413e-04] [ 1.42724203e-04 -1.42724202e-04 2.02338590e-04] [-1.42724203e-04 1.42724203e-04 2.02338590e-04] [ 1.39742670e-04 1.39742670e-04 -3.22420413e-04] [-1.39742670e-04 -1.39742670e-04 -3.22420412e-04] [-1.42724203e-04 1.42724203e-04 -2.02338590e-04] [ 1.42724203e-04 -1.42724203e-04 -2.02338590e-04] [ 1.39742670e-04 1.39742670e-04 3.22420413e-04] [-1.39742670e-04 -1.39742670e-04 3.22420413e-04] [ 1.42724203e-04 -1.42724202e-04 2.02338590e-04] [-1.42724203e-04 1.42724203e-04 2.02338590e-04] [ 7.17065296e-13 -4.80698814e-13 -1.30229161e-13] [-3.11552867e-13 -8.66791290e-13 -3.16768150e-13] [-3.00844085e-04 4.73234847e-05 5.95815320e-05] [ 3.00844084e-04 -4.73234857e-05 5.95815313e-05] [-3.00844085e-04 4.73234853e-05 -5.95815318e-05] [ 3.00844084e-04 -4.73234847e-05 -5.95815320e-05] [ 4.73234860e-05 -3.00844084e-04 5.95815311e-05] [ 4.73234859e-05 -3.00844084e-04 -5.95815304e-05] [-4.73234868e-05 3.00844083e-04 5.95815298e-05] [-4.73234861e-05 3.00844084e-04 -5.95815304e-05] [-1.23528223e-04 -1.23528222e-04 2.99538172e-13] [-5.78451007e-04 5.78451008e-04 2.52711047e-13] [ 5.78451007e-04 -5.78451008e-04 -3.50119239e-14] [ 1.23528223e-04 1.23528222e-04 -8.93885660e-14] [-3.00844084e-04 4.73234860e-05 5.95815308e-05] [ 3.00844084e-04 -4.73234867e-05 5.95815303e-05] [-3.00844083e-04 4.73234865e-05 -5.95815302e-05] [ 3.00844084e-04 -4.73234855e-05 -5.95815312e-05] [ 4.73234847e-05 -3.00844084e-04 5.95815319e-05] [ 4.73234853e-05 -3.00844084e-04 -5.95815316e-05] [-4.73234849e-05 3.00844084e-04 5.95815319e-05] [-4.73234851e-05 3.00844084e-04 -5.95815322e-05] [-1.23528222e-04 -1.23528223e-04 4.91037986e-13] [-5.78451008e-04 5.78451007e-04 3.83367024e-13] [ 5.78451009e-04 -5.78451006e-04 -1.87382916e-13] [ 1.23528223e-04 1.23528223e-04 -3.63636638e-13]] Final stress: [ 7.55005237e-06 7.55005237e-06 -1.48868819e-05 -4.93764396e-16 4.40564191e-16 -5.65777546e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.89318397e-06 -6.50593393e-05 -2.59505958e-14] [ 3.89318394e-06 6.50593393e-05 1.39915857e-13] [-6.50593392e-05 -3.89318436e-06 1.17668028e-13] [ 6.50593395e-05 3.89318405e-06 -1.44662060e-13] [-1.79795415e-14 -3.47391386e-14 -4.40091119e-04] [ 4.81281681e-14 4.42423875e-14 4.40091118e-04] [-3.89318347e-06 -6.50593391e-05 5.35600144e-14] [ 3.89318464e-06 6.50593393e-05 3.31968872e-14] [-6.50593391e-05 -3.89318434e-06 -1.10465506e-14] [ 6.50593393e-05 3.89318405e-06 1.40131997e-13] [ 1.36331918e-14 1.04753444e-13 -4.40091118e-04] [-2.90167196e-14 2.10521085e-13 4.40091118e-04] [-1.64551145e-04 -1.64551145e-04 3.15784680e-04] [ 1.64551145e-04 1.64551145e-04 3.15784679e-04] [ 1.32376655e-04 -1.32376655e-04 2.17048489e-04] [-1.32376655e-04 1.32376654e-04 2.17048488e-04] [-1.64551145e-04 -1.64551145e-04 -3.15784680e-04] [ 1.64551145e-04 1.64551145e-04 -3.15784679e-04] [-1.32376655e-04 1.32376655e-04 -2.17048489e-04] [ 1.32376655e-04 -1.32376655e-04 -2.17048489e-04] [-1.64551145e-04 -1.64551145e-04 3.15784679e-04] [ 1.64551145e-04 1.64551145e-04 3.15784679e-04] [ 1.32376655e-04 -1.32376655e-04 2.17048488e-04] [-1.32376655e-04 1.32376654e-04 2.17048489e-04] [-1.64551145e-04 -1.64551144e-04 -3.15784679e-04] [ 1.64551145e-04 1.64551145e-04 -3.15784680e-04] [-1.32376655e-04 1.32376655e-04 -2.17048489e-04] [ 1.32376655e-04 -1.32376655e-04 -2.17048488e-04] [-6.68909372e-14 7.60502772e-15 7.80847609e-13] [-1.09504853e-12 3.87455431e-13 2.39572443e-14] [ 3.33806487e-04 -6.82680653e-05 -5.84689875e-05] [-3.33806487e-04 6.82680647e-05 -5.84689882e-05] [ 3.33806487e-04 -6.82680673e-05 5.84689862e-05] [-3.33806488e-04 6.82680668e-05 5.84689865e-05] [-6.82680653e-05 3.33806488e-04 -5.84689879e-05] [-6.82680665e-05 3.33806487e-04 5.84689865e-05] [ 6.82680638e-05 -3.33806488e-04 -5.84689892e-05] [ 6.82680660e-05 -3.33806488e-04 5.84689875e-05] [ 9.97677020e-05 9.97677027e-05 -9.49240686e-13] [ 5.67188901e-04 -5.67188902e-04 -4.64574559e-13] [-5.67188903e-04 5.67188899e-04 -6.30061975e-13] [-9.97677022e-05 -9.97677032e-05 -3.49163407e-13] [ 3.33806488e-04 -6.82680653e-05 -5.84689879e-05] [-3.33806487e-04 6.82680667e-05 -5.84689866e-05] [ 3.33806489e-04 -6.82680641e-05 5.84689892e-05] [-3.33806487e-04 6.82680650e-05 5.84689883e-05] [-6.82680663e-05 3.33806488e-04 -5.84689871e-05] [-6.82680652e-05 3.33806488e-04 5.84689879e-05] [ 6.82680675e-05 -3.33806487e-04 -5.84689856e-05] [ 6.82680654e-05 -3.33806486e-04 5.84689875e-05] [ 9.97677029e-05 9.97677023e-05 1.10576557e-12] [ 5.67188901e-04 -5.67188901e-04 7.27454734e-13] [-5.67188900e-04 5.67188903e-04 1.09711954e-12] [-9.97677026e-05 -9.97677036e-05 6.71153237e-13]] Final stress: [-7.54149695e-06 -7.54149695e-06 1.47305794e-05 -1.37992046e-16 -4.07325918e-16 5.94038909e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.37952879e-06 6.53831519e-05 -5.10091101e-14] [ 4.37952783e-06 -6.53831519e-05 -9.64506253e-14] [ 6.53831520e-05 -4.37952774e-06 9.63751648e-14] [-6.53831514e-05 4.37952843e-06 1.68476344e-13] [-3.90447223e-14 -2.57438602e-13 -4.40096106e-04] [ 1.64118719e-13 -3.67483821e-14 4.40096105e-04] [-4.37952752e-06 6.53831519e-05 -3.47049607e-14] [ 4.37952856e-06 -6.53831517e-05 -1.96042804e-14] [ 6.53831518e-05 -4.37952795e-06 -2.20829391e-13] [-6.53831518e-05 4.37952845e-06 2.80718831e-13] [-3.38672666e-13 -3.35716614e-14 -4.40096106e-04] [-1.96802210e-13 1.74528033e-13 4.40096106e-04] [-1.32570728e-04 -1.32570728e-04 -2.16916245e-04] [ 1.32570728e-04 1.32570729e-04 -2.16916245e-04] [ 1.64282501e-04 -1.64282501e-04 -3.15723476e-04] [-1.64282501e-04 1.64282501e-04 -3.15723476e-04] [-1.32570728e-04 -1.32570728e-04 2.16916245e-04] [ 1.32570729e-04 1.32570728e-04 2.16916245e-04] [-1.64282500e-04 1.64282501e-04 3.15723476e-04] [ 1.64282501e-04 -1.64282501e-04 3.15723476e-04] [-1.32570729e-04 -1.32570728e-04 -2.16916245e-04] [ 1.32570729e-04 1.32570729e-04 -2.16916244e-04] [ 1.64282500e-04 -1.64282500e-04 -3.15723477e-04] [-1.64282501e-04 1.64282501e-04 -3.15723476e-04] [-1.32570729e-04 -1.32570728e-04 2.16916245e-04] [ 1.32570728e-04 1.32570728e-04 2.16916244e-04] [-1.64282501e-04 1.64282501e-04 3.15723476e-04] [ 1.64282501e-04 -1.64282500e-04 3.15723476e-04] [ 1.41450740e-12 -8.65391092e-13 9.65755254e-13] [-6.92664676e-13 -6.92962155e-14 -5.96293769e-13] [-3.33299957e-04 -6.95749915e-05 -5.69860312e-05] [ 3.33299954e-04 6.95749901e-05 -5.69860320e-05] [-3.33299957e-04 -6.95749923e-05 5.69860304e-05] [ 3.33299954e-04 6.95749918e-05 5.69860305e-05] [-6.95749915e-05 -3.33299956e-04 -5.69860302e-05] [-6.95749921e-05 -3.33299957e-04 5.69860299e-05] [ 6.95749886e-05 3.33299955e-04 -5.69860336e-05] [ 6.95749911e-05 3.33299956e-04 5.69860315e-05] [-5.67503096e-04 -5.67503093e-04 -3.95128374e-13] [-9.98831626e-05 9.98831614e-05 -2.08218859e-14] [ 9.98831610e-05 -9.98831640e-05 -6.10058878e-13] [ 5.67503094e-04 5.67503095e-04 -9.57253374e-13] [-3.33299955e-04 -6.95749916e-05 -5.69860307e-05] [ 3.33299957e-04 6.95749907e-05 -5.69860312e-05] [-3.33299954e-04 -6.95749899e-05 5.69860325e-05] [ 3.33299957e-04 6.95749901e-05 5.69860315e-05] [-6.95749911e-05 -3.33299956e-04 -5.69860316e-05] [-6.95749898e-05 -3.33299956e-04 5.69860328e-05] [ 6.95749927e-05 3.33299955e-04 -5.69860290e-05] [ 6.95749918e-05 3.33299956e-04 5.69860294e-05] [-5.67503094e-04 -5.67503096e-04 1.10386016e-12] [-9.98831609e-05 9.98831643e-05 9.97611173e-13] [ 9.98831637e-05 -9.98831609e-05 1.22802188e-12] [ 5.67503095e-04 5.67503094e-04 -3.07778976e-13]] Final stress: [-7.53939622e-06 -7.53939622e-06 1.47250843e-05 -1.08564826e-15 -4.08988473e-16 -5.93657062e-06] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-7.76438069e-04 -5.18630278e-14 1.41279783e-13] [ 7.76438069e-04 -1.45383705e-13 3.00870440e-14] [-8.16434594e-14 -5.04231986e-04 1.91804038e-14] [ 1.55431223e-14 5.04231986e-04 7.84372567e-14] [-1.48534397e-13 -1.10443772e-13 -5.04231986e-04] [-5.55111512e-17 -3.34732242e-14 5.04231986e-04] [-7.76438069e-04 -1.17353176e-13 1.35893787e-14] [ 7.76438069e-04 -1.85120148e-13 -7.18891156e-14] [-9.61101858e-14 -5.04231986e-04 1.88309025e-14] [-6.98109105e-14 5.04231986e-04 -1.55281363e-13] [ 1.10662347e-14 -4.17027480e-15 -5.04231986e-04] [ 1.88291223e-14 -9.63559195e-14 5.04231986e-04] [ 1.32766705e-04 -2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 -2.22756089e-04 2.22756089e-04] [ 1.32766705e-04 2.22756089e-04 2.22756089e-04] [ 1.32766705e-04 -2.22756089e-04 2.22756089e-04] [-1.32766705e-04 2.22756089e-04 2.22756089e-04] [ 1.32766705e-04 2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 -2.22756089e-04 -2.22756089e-04] [ 1.32766705e-04 -2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 -2.22756089e-04 2.22756089e-04] [ 1.32766704e-04 2.22756089e-04 2.22756089e-04] [ 1.32766705e-04 -2.22756089e-04 2.22756089e-04] [-1.32766705e-04 2.22756089e-04 2.22756089e-04] [ 1.32766705e-04 2.22756089e-04 -2.22756089e-04] [-1.32766705e-04 -2.22756089e-04 -2.22756089e-04] [ 1.45078394e-13 7.39963646e-14 1.33226763e-13] [-2.88254230e-13 -2.37714128e-14 -1.86773664e-13] [-1.73860926e-13 -4.85759139e-04 -4.85759140e-04] [-1.64021574e-13 4.85759139e-04 -4.85759140e-04] [-3.35870221e-13 -4.85759139e-04 4.85759140e-04] [-2.00464645e-13 4.85759139e-04 4.85759140e-04] [-2.03911398e-04 1.15241150e-13 -5.41248891e-05] [-2.03911398e-04 1.57963920e-14 5.41248890e-05] [ 2.03911398e-04 1.53616703e-13 -5.41248894e-05] [ 2.03911398e-04 1.45191151e-13 5.41248894e-05] [-2.03911398e-04 -5.41248890e-05 -9.69224700e-14] [ 2.03911398e-04 -5.41248895e-05 -5.38874501e-14] [-2.03911398e-04 5.41248892e-05 -6.48110038e-14] [ 2.03911398e-04 5.41248897e-05 -3.82662652e-14] [ 1.61018334e-13 -4.85759140e-04 -4.85759139e-04] [ 2.68239857e-13 4.85759140e-04 -4.85759139e-04] [ 3.12874292e-13 -4.85759140e-04 4.85759139e-04] [ 3.69409798e-13 4.85759140e-04 4.85759139e-04] [-2.03911398e-04 -7.68035957e-14 -5.41248895e-05] [-2.03911398e-04 -4.04457284e-14 5.41248896e-05] [ 2.03911398e-04 -1.15029947e-13 -5.41248890e-05] [ 2.03911398e-04 -1.54385185e-13 5.41248893e-05] [-2.03911398e-04 -5.41248896e-05 6.45640680e-14] [ 2.03911398e-04 -5.41248891e-05 -2.01355825e-14] [-2.03911398e-04 5.41248893e-05 5.88108460e-14] [ 2.03911398e-04 5.41248888e-05 5.81284153e-14]] Final stress: [ 2.54609111e-05 -8.43962333e-06 -8.43962334e-06 -4.98768245e-17 -4.32265812e-17 1.49630474e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.32075190e-04 2.07707115e-13 7.23956051e-13] [ 3.32075189e-04 1.74166237e-13 3.03618242e-13] [ 9.87081077e-13 -3.32075189e-04 1.06074004e-12] [ 6.88310520e-13 3.32075190e-04 2.15633067e-13] [ 1.25083971e-13 1.48662332e-13 -1.59080759e-03] [ 1.25066624e-13 -1.53682622e-13 1.59080759e-03] [-3.32075187e-04 5.17705670e-13 -6.60428302e-13] [ 3.32075190e-04 6.05409819e-13 -5.96722507e-13] [ 1.09366943e-13 -3.32075189e-04 -8.57308222e-13] [ 3.38515674e-13 3.32075190e-04 -3.22558700e-13] [-2.61336525e-13 2.07537911e-13 -1.59080759e-03] [-2.83682366e-13 3.92994340e-13 1.59080759e-03] [ 2.58445229e-04 2.58445230e-04 4.35844824e-04] [-2.58445229e-04 -2.58445228e-04 4.35844823e-04] [-2.58445228e-04 2.58445228e-04 -4.35844821e-04] [ 2.58445229e-04 -2.58445230e-04 -4.35844824e-04] [ 2.58445229e-04 2.58445229e-04 -4.35844823e-04] [-2.58445227e-04 -2.58445229e-04 -4.35844822e-04] [ 2.58445230e-04 -2.58445229e-04 4.35844825e-04] [-2.58445228e-04 2.58445228e-04 4.35844823e-04] [ 2.58445228e-04 2.58445228e-04 4.35844822e-04] [-2.58445228e-04 -2.58445228e-04 4.35844823e-04] [-2.58445230e-04 2.58445230e-04 -4.35844825e-04] [ 2.58445228e-04 -2.58445228e-04 -4.35844824e-04] [ 2.58445228e-04 2.58445229e-04 -4.35844824e-04] [-2.58445230e-04 -2.58445230e-04 -4.35844825e-04] [ 2.58445227e-04 -2.58445228e-04 4.35844822e-04] [-2.58445229e-04 2.58445229e-04 4.35844822e-04] [ 3.23216454e-12 -5.33351141e-13 3.87628818e-12] [-3.18954368e-12 6.85390542e-13 3.95246412e-13] [-1.18793864e-12 7.16249853e-04 -2.00506667e-04] [-1.98919874e-12 -7.16249856e-04 -2.00506670e-04] [-5.28126154e-13 7.16249847e-04 2.00506662e-04] [-2.91537627e-12 -7.16249850e-04 2.00506666e-04] [ 7.16249860e-04 -1.96365146e-12 -2.00506672e-04] [ 7.16249852e-04 -3.60551866e-12 2.00506666e-04] [-7.16249862e-04 -2.24099211e-12 -2.00506675e-04] [-7.16249854e-04 -1.46197290e-12 2.00506670e-04] [ 2.44815012e-04 2.44815015e-04 -2.07700523e-12] [-2.44815015e-04 2.44815011e-04 -6.10780523e-13] [ 2.44815010e-04 -2.44815018e-04 -9.39699707e-13] [-2.44815014e-04 -2.44815013e-04 -2.25066146e-12] [ 1.76733368e-12 7.16249854e-04 -2.00506669e-04] [ 1.55823097e-12 -7.16249852e-04 -2.00506666e-04] [ 2.04957492e-12 7.16249861e-04 2.00506674e-04] [ 1.76343575e-12 -7.16249857e-04 2.00506671e-04] [ 7.16249853e-04 5.09289200e-13 -2.00506668e-04] [ 7.16249858e-04 1.91872776e-13 2.00506671e-04] [-7.16249849e-04 -1.89383665e-13 -2.00506663e-04] [-7.16249854e-04 1.68739632e-12 2.00506666e-04] [ 2.44815015e-04 2.44815010e-04 2.84772971e-12] [-2.44815012e-04 2.44815015e-04 2.58829938e-12] [ 2.44815019e-04 -2.44815008e-04 3.41775712e-12] [-2.44815019e-04 -2.44815009e-04 3.38302693e-12]] Final stress: [-1.29084992e-05 -1.29084992e-05 1.58659533e-05 2.57687552e-16 4.65500094e-16 2.87612558e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.09319706e-02 -6.92053186e-12 4.20947869e-12] [-3.09319705e-02 -7.48512363e-12 4.27283209e-12] [ 5.20041258e-12 -2.50017652e-02 3.12320655e-12] [ 3.77123333e-12 2.50017652e-02 8.23244251e-12] [ 7.21748182e-12 -4.41473030e-12 2.52095339e-03] [ 7.68762831e-12 -4.10560475e-12 -2.52095340e-03] [ 3.09319705e-02 -2.26117909e-12 -1.40278892e-12] [-3.09319705e-02 -2.64180171e-12 -1.62793348e-12] [-1.87532585e-12 -2.50017652e-02 3.09933883e-12] [-3.46531527e-12 2.50017652e-02 -2.41338114e-12] [-2.15201511e-12 -1.95752365e-12 2.52095338e-03] [-1.38053848e-12 6.90889047e-13 -2.52095338e-03] [ 3.32403006e-03 -3.65660640e-03 -4.47499749e-04] [-3.32403006e-03 3.65660639e-03 -4.47499750e-04] [-3.32403006e-03 -3.65660640e-03 4.47499746e-04] [ 3.32403006e-03 3.65660640e-03 4.47499750e-04] [ 3.32403006e-03 -3.65660640e-03 4.47499749e-04] [-3.32403006e-03 3.65660640e-03 4.47499743e-04] [ 3.32403006e-03 3.65660639e-03 -4.47499749e-04] [-3.32403006e-03 -3.65660640e-03 -4.47499748e-04] [ 3.32403005e-03 -3.65660640e-03 -4.47499754e-04] [-3.32403006e-03 3.65660641e-03 -4.47499759e-04] [-3.32403007e-03 -3.65660640e-03 4.47499740e-04] [ 3.32403005e-03 3.65660640e-03 4.47499743e-04] [ 3.32403006e-03 -3.65660640e-03 4.47499738e-04] [-3.32403006e-03 3.65660640e-03 4.47499743e-04] [ 3.32403006e-03 3.65660640e-03 -4.47499758e-04] [-3.32403006e-03 -3.65660640e-03 -4.47499758e-04] [-6.35019815e-12 -1.52626245e-11 2.19592400e-11] [ 2.00660408e-12 1.84983045e-12 -2.18830706e-12] [-4.05697698e-12 1.26943971e-03 -2.29948068e-03] [ 8.81197719e-12 -1.26943970e-03 -2.29948067e-03] [-1.69485086e-12 1.26943971e-03 2.29948069e-03] [ 9.75792537e-12 -1.26943969e-03 2.29948068e-03] [-2.15516598e-03 -1.25288668e-11 1.43272114e-03] [-2.15516600e-03 3.36498884e-12 -1.43272113e-03] [ 2.15516598e-03 -9.55237799e-12 1.43272112e-03] [ 2.15516600e-03 1.36163129e-12 -1.43272112e-03] [-4.70251913e-03 2.41805921e-03 1.59865454e-11] [ 4.70251913e-03 2.41805920e-03 1.01965936e-11] [-4.70251913e-03 -2.41805919e-03 9.28878675e-12] [ 4.70251912e-03 -2.41805920e-03 -6.83345047e-12] [-3.23251191e-12 1.26943968e-03 -2.29948066e-03] [ 5.29749161e-12 -1.26943968e-03 -2.29948068e-03] [-8.70450630e-12 1.26943970e-03 2.29948067e-03] [ 4.52915093e-12 -1.26943967e-03 2.29948066e-03] [-2.15516598e-03 -8.55085169e-12 1.43272112e-03] [-2.15516598e-03 -1.53974646e-11 -1.43272112e-03] [ 2.15516597e-03 -4.44546570e-12 1.43272112e-03] [ 2.15516599e-03 -9.14880628e-12 -1.43272113e-03] [-4.70251912e-03 2.41805919e-03 8.35732898e-12] [ 4.70251912e-03 2.41805919e-03 3.09301587e-12] [-4.70251913e-03 -2.41805918e-03 2.50705144e-12] [ 4.70251913e-03 -2.41805921e-03 5.83837839e-12]] Final stress: [-2.28011680e-04 2.50065281e-04 1.61740666e-05 -2.61516060e-15 -2.87119030e-15 7.25029584e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.50042277e-02 -4.08383483e-12 7.56882968e-12] [ 2.50042277e-02 -3.22725180e-12 1.10978171e-11] [ 6.40139157e-12 3.09352509e-02 6.63498206e-12] [ 8.53656035e-12 -3.09352509e-02 6.43951559e-12] [ 8.64237154e-12 -2.03374730e-12 2.52123239e-03] [ 8.03559996e-12 -5.98687766e-13 -2.52123239e-03] [-2.50042277e-02 -4.58850666e-12 1.40913413e-13] [ 2.50042277e-02 -5.33733257e-12 -5.86272308e-12] [-5.32654996e-12 3.09352509e-02 -4.15691217e-12] [-5.42394818e-12 -3.09352509e-02 -2.93837037e-12] [-7.14219612e-12 -1.87797889e-12 2.52123238e-03] [ 2.77033171e-13 -3.90887907e-12 -2.52123239e-03] [-3.65707340e-03 3.32447432e-03 -4.47568225e-04] [ 3.65707341e-03 -3.32447431e-03 -4.47568231e-04] [ 3.65707341e-03 3.32447431e-03 4.47568236e-04] [-3.65707340e-03 -3.32447432e-03 4.47568234e-04] [-3.65707340e-03 3.32447432e-03 4.47568231e-04] [ 3.65707342e-03 -3.32447431e-03 4.47568227e-04] [-3.65707340e-03 -3.32447432e-03 -4.47568229e-04] [ 3.65707341e-03 3.32447432e-03 -4.47568233e-04] [-3.65707342e-03 3.32447433e-03 -4.47568248e-04] [ 3.65707340e-03 -3.32447432e-03 -4.47568241e-04] [ 3.65707340e-03 3.32447433e-03 4.47568231e-04] [-3.65707342e-03 -3.32447432e-03 4.47568226e-04] [-3.65707342e-03 3.32447433e-03 4.47568232e-04] [ 3.65707340e-03 -3.32447432e-03 4.47568223e-04] [-3.65707342e-03 -3.32447432e-03 -4.47568251e-04] [ 3.65707340e-03 3.32447433e-03 -4.47568242e-04] [ 1.88813687e-11 -9.35651556e-12 1.14218635e-11] [-1.40804209e-11 -6.53997881e-12 -7.58567663e-12] [-8.99980090e-12 -2.15783710e-03 1.43499065e-03] [-1.28729596e-11 2.15783710e-03 1.43499065e-03] [ 5.16754001e-12 -2.15783711e-03 -1.43499064e-03] [ 1.96335656e-12 2.15783713e-03 -1.43499066e-03] [ 1.27208501e-03 -4.81559237e-12 -2.30157966e-03] [ 1.27208500e-03 -2.14644622e-11 2.30157967e-03] [-1.27208501e-03 -5.21870915e-12 -2.30157969e-03] [-1.27208500e-03 -1.44652328e-11 2.30157969e-03] [ 2.42276466e-03 -4.70747784e-03 2.00980343e-11] [-2.42276468e-03 -4.70747788e-03 -7.12941338e-12] [ 2.42276467e-03 4.70747786e-03 1.85278529e-11] [-2.42276468e-03 4.70747787e-03 2.25553604e-12] [-5.10680907e-14 -2.15783712e-03 1.43499066e-03] [ 9.62899075e-12 2.15783713e-03 1.43499067e-03] [-1.60115107e-12 -2.15783712e-03 -1.43499067e-03] [-6.33099996e-12 2.15783712e-03 -1.43499066e-03] [ 1.27208500e-03 -8.22828812e-12 -2.30157970e-03] [ 1.27208503e-03 -4.01913854e-12 2.30157971e-03] [-1.27208501e-03 -1.15806232e-11 -2.30157969e-03] [-1.27208499e-03 -1.06361543e-11 2.30157967e-03] [ 2.42276468e-03 -4.70747787e-03 6.07792320e-12] [-2.42276466e-03 -4.70747785e-03 9.55701414e-12] [ 2.42276468e-03 4.70747787e-03 -5.32594113e-12] [-2.42276468e-03 4.70747784e-03 -2.71992498e-12]] Final stress: [ 2.50081707e-04 -2.28028721e-04 1.61747242e-05 -3.52622735e-15 -1.55779115e-15 3.76729428e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.91174785e-04 1.82538446e-13 3.96986263e-13] [ 4.91174785e-04 -1.52183821e-13 3.49470453e-13] [ 1.61437703e-13 -4.91174784e-04 4.34019574e-13] [ 2.50188759e-13 4.91174785e-04 2.80248047e-13] [-1.40935874e-13 4.39162595e-14 1.08978073e-04] [-1.97092342e-13 -5.39845946e-14 -1.08978074e-04] [-4.91174785e-04 2.21533295e-13 -2.41505793e-13] [ 4.91174785e-04 5.62163163e-14 -3.78761463e-13] [ 1.25085272e-13 -4.91174785e-04 3.14414403e-14] [ 1.22562550e-13 4.91174785e-04 -1.23174813e-14] [-3.20497968e-13 -3.63479174e-13 1.08978073e-04] [-4.75999448e-14 4.99089354e-13 -1.08978073e-04] [-7.80050479e-05 -7.80050477e-05 -2.82048226e-04] [ 7.80050486e-05 7.80050480e-05 -2.82048225e-04] [ 7.80050485e-05 -7.80050494e-05 2.82048226e-04] [-7.80050481e-05 7.80050488e-05 2.82048226e-04] [-7.80050483e-05 -7.80050480e-05 2.82048226e-04] [ 7.80050486e-05 7.80050492e-05 2.82048225e-04] [-7.80050480e-05 7.80050474e-05 -2.82048225e-04] [ 7.80050490e-05 -7.80050485e-05 -2.82048225e-04] [-7.80050489e-05 -7.80050481e-05 -2.82048227e-04] [ 7.80050488e-05 7.80050490e-05 -2.82048225e-04] [ 7.80050479e-05 -7.80050487e-05 2.82048225e-04] [-7.80050483e-05 7.80050486e-05 2.82048225e-04] [-7.80050479e-05 -7.80050478e-05 2.82048225e-04] [ 7.80050477e-05 7.80050481e-05 2.82048225e-04] [-7.80050494e-05 7.80050489e-05 -2.82048226e-04] [ 7.80050487e-05 -7.80050494e-05 -2.82048226e-04] [ 2.00089945e-13 -3.14109849e-13 2.58751354e-12] [-1.41861826e-12 2.04779533e-13 -4.52537481e-13] [-1.15640830e-12 -1.19371665e-04 -3.65163274e-05] [-1.45043699e-13 1.19371664e-04 -3.65163283e-05] [-1.14913287e-13 -1.19371664e-04 3.65163289e-05] [ 5.35406788e-13 1.19371665e-04 3.65163278e-05] [-1.19371665e-04 1.08713039e-12 -3.65163269e-05] [-1.19371667e-04 5.73681727e-13 3.65163268e-05] [ 1.19371663e-04 -6.11987891e-13 -3.65163298e-05] [ 1.19371666e-04 2.22426244e-14 3.65163279e-05] [ 4.04871609e-05 4.04871595e-05 1.71518355e-12] [-4.04871596e-05 4.04871625e-05 -2.79229764e-13] [ 4.04871638e-05 -4.04871582e-05 5.87110222e-13] [-4.04871623e-05 -4.04871594e-05 -3.59910018e-13] [-7.98674061e-13 -1.19371667e-04 -3.65163262e-05] [-1.88846768e-13 1.19371665e-04 -3.65163286e-05] [ 8.79072422e-13 -1.19371666e-04 3.65163268e-05] [-1.21854046e-12 1.19371664e-04 3.65163282e-05] [-1.19371665e-04 -1.24661376e-12 -3.65163275e-05] [-1.19371664e-04 -8.36538521e-13 3.65163280e-05] [ 1.19371662e-04 -1.07516556e-12 -3.65163303e-05] [ 1.19371665e-04 -3.70190857e-13 3.65163283e-05] [ 4.04871602e-05 4.04871603e-05 9.99691099e-13] [-4.04871601e-05 4.04871615e-05 8.45479878e-13] [ 4.04871620e-05 -4.04871587e-05 6.08180762e-13] [-4.04871588e-05 -4.04871626e-05 4.73497543e-13]] Final stress: [ 5.27753238e-06 5.27753238e-06 -1.66950700e-05 -9.47659666e-17 2.32758514e-17 -9.47659666e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.69485369e-05 -6.40498939e-14 4.42470713e-13] [ 4.69485360e-05 -1.17517107e-13 -1.03944631e-13] [ 4.33900745e-13 -9.71518585e-04 5.60849978e-13] [ 7.94114774e-13 9.71518587e-04 7.42739203e-14] [ 5.61363889e-13 5.63335836e-13 -4.69485370e-05] [ 4.94326802e-13 6.83647583e-13 4.69485377e-05] [-4.69485391e-05 1.89731477e-13 -1.49240665e-13] [ 4.69485383e-05 -4.01786243e-13 9.31261556e-14] [-2.40185476e-14 -9.71518584e-04 -3.70611347e-13] [-4.16122865e-13 9.71518587e-04 -3.76551199e-14] [-4.34517006e-13 2.28852176e-13 -4.69485377e-05] [-6.50804497e-13 2.39415958e-15 4.69485372e-05] [ 1.73743988e-04 3.43211726e-04 1.73743988e-04] [-1.73743986e-04 -3.43211724e-04 1.73743988e-04] [-1.73743987e-04 3.43211725e-04 -1.73743988e-04] [ 1.73743987e-04 -3.43211725e-04 -1.73743987e-04] [ 1.73743988e-04 3.43211725e-04 -1.73743988e-04] [-1.73743985e-04 -3.43211724e-04 -1.73743986e-04] [ 1.73743988e-04 -3.43211725e-04 1.73743988e-04] [-1.73743987e-04 3.43211725e-04 1.73743987e-04] [ 1.73743986e-04 3.43211724e-04 1.73743986e-04] [-1.73743988e-04 -3.43211725e-04 1.73743986e-04] [-1.73743988e-04 3.43211724e-04 -1.73743988e-04] [ 1.73743986e-04 -3.43211724e-04 -1.73743987e-04] [ 1.73743986e-04 3.43211724e-04 -1.73743987e-04] [-1.73743988e-04 -3.43211725e-04 -1.73743988e-04] [ 1.73743987e-04 -3.43211724e-04 1.73743987e-04] [-1.73743988e-04 3.43211725e-04 1.73743987e-04] [ 2.48814858e-12 -3.75588449e-13 9.61258850e-13] [-1.28706464e-12 -3.30500536e-12 -1.16769659e-12] [-1.55431223e-15 -1.11068715e-04 4.76421830e-04] [-9.23545962e-13 1.11068714e-04 4.76421830e-04] [-7.91745142e-13 -1.11068711e-04 -4.76421826e-04] [-5.00807729e-13 1.11068714e-04 -4.76421829e-04] [ 1.37707712e-04 -2.40341080e-12 1.37707717e-04] [ 1.37707713e-04 -2.84102256e-12 -1.37707716e-04] [-1.37707717e-04 -4.30867148e-13 1.37707713e-04] [-1.37707715e-04 -9.42098830e-13 -1.37707713e-04] [ 4.76421824e-04 -1.11068708e-04 -1.05249143e-13] [-4.76421827e-04 -1.11068713e-04 1.53556161e-12] [ 4.76421822e-04 1.11068707e-04 1.14976952e-12] [-4.76421823e-04 1.11068710e-04 2.77008277e-12] [ 3.24473087e-13 -1.11068709e-04 4.76421822e-04] [ 1.05307863e-12 1.11068713e-04 4.76421827e-04] [ 1.76370854e-12 -1.11068711e-04 -4.76421823e-04] [ 2.78946657e-12 1.11068713e-04 -4.76421827e-04] [ 1.37707714e-04 -1.37348181e-12 1.37707715e-04] [ 1.37707711e-04 1.71926991e-12 -1.37707718e-04] [-1.37707712e-04 -1.50016458e-12 1.37707718e-04] [-1.37707711e-04 7.52509166e-13 -1.37707720e-04] [ 4.76421828e-04 -1.11068715e-04 4.94608292e-14] [-4.76421824e-04 -1.11068710e-04 6.01839647e-13] [ 4.76421828e-04 1.11068713e-04 -9.13276426e-13] [-4.76421827e-04 1.11068711e-04 -1.51850364e-12]] Final stress: [-9.11095148e-06 1.50120533e-05 -9.11095149e-06 1.44637529e-16 2.64337553e-16 6.98250140e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.09367108e-02 -5.92800375e-12 2.04005649e-12] [-3.09367108e-02 -4.65491534e-12 4.22137325e-12] [ 2.39165458e-12 2.52135751e-03 1.09408749e-12] [ 3.97629152e-12 -2.52135750e-03 3.45001805e-12] [ 8.08311534e-12 4.93700567e-13 -2.50053174e-02] [ 6.43476938e-12 -2.50394150e-12 2.50053174e-02] [ 3.09367108e-02 -2.91296804e-12 -2.37268222e-12] [-3.09367108e-02 -8.44165449e-13 -3.38346643e-12] [ 6.11300073e-13 2.52135752e-03 -3.55755785e-12] [-2.24605230e-12 -2.52135751e-03 -4.71257770e-13] [-9.21296893e-13 -3.64970730e-12 -2.50053174e-02] [-1.75144664e-12 -3.43664058e-12 2.50053174e-02] [ 3.32467609e-03 -4.47598930e-04 -3.65728586e-03] [-3.32467609e-03 4.47598934e-04 -3.65728586e-03] [-3.32467609e-03 -4.47598938e-04 3.65728586e-03] [ 3.32467609e-03 4.47598934e-04 3.65728586e-03] [ 3.32467609e-03 -4.47598937e-04 3.65728586e-03] [-3.32467609e-03 4.47598942e-04 3.65728585e-03] [ 3.32467609e-03 4.47598930e-04 -3.65728586e-03] [-3.32467609e-03 -4.47598935e-04 -3.65728586e-03] [ 3.32467609e-03 -4.47598928e-04 -3.65728586e-03] [-3.32467609e-03 4.47598934e-04 -3.65728587e-03] [-3.32467610e-03 -4.47598931e-04 3.65728586e-03] [ 3.32467609e-03 4.47598934e-04 3.65728586e-03] [ 3.32467608e-03 -4.47598929e-04 3.65728585e-03] [-3.32467609e-03 4.47598936e-04 3.65728586e-03] [ 3.32467609e-03 4.47598933e-04 -3.65728587e-03] [-3.32467609e-03 -4.47598931e-04 -3.65728587e-03] [-3.05466763e-12 -1.34912914e-11 8.44405101e-12] [-6.83719791e-12 4.10970705e-12 -1.00683435e-11] [ 3.55537821e-12 -2.30261881e-03 1.27339501e-03] [-9.33495989e-12 2.30261882e-03 1.27339502e-03] [ 8.25119834e-12 -2.30261881e-03 -1.27339500e-03] [-1.29012426e-12 2.30261882e-03 -1.27339500e-03] [-4.70992832e-03 -6.23912033e-12 2.42510051e-03] [-4.70992834e-03 -1.33827047e-11 -2.42510052e-03] [ 4.70992833e-03 5.44602037e-12 2.42510052e-03] [ 4.70992835e-03 -7.15563025e-13 -2.42510052e-03] [-2.15916360e-03 1.43611116e-03 1.84675608e-11] [ 2.15916360e-03 1.43611115e-03 -6.93459179e-13] [-2.15916360e-03 -1.43611115e-03 2.03667985e-12] [ 2.15916359e-03 -1.43611115e-03 5.26107283e-12] [-2.35899668e-12 -2.30261883e-03 1.27339502e-03] [ 2.52557090e-12 2.30261883e-03 1.27339501e-03] [-7.49966452e-12 -2.30261882e-03 -1.27339501e-03] [-8.68838898e-12 2.30261883e-03 -1.27339501e-03] [-4.70992832e-03 -3.03363012e-12 2.42510051e-03] [-4.70992833e-03 2.03857525e-12 -2.42510051e-03] [ 4.70992832e-03 3.23222829e-12 2.42510051e-03] [ 4.70992835e-03 -1.66016519e-11 -2.42510053e-03] [-2.15916359e-03 1.43611114e-03 6.60082802e-14] [ 2.15916359e-03 1.43611115e-03 -5.38348937e-13] [-2.15916360e-03 -1.43611115e-03 -1.15195891e-12] [ 2.15916358e-03 -1.43611115e-03 4.59214307e-12]] Final stress: [-2.28035914e-04 1.61750211e-05 2.50088645e-04 -3.81384514e-15 -9.06079164e-16 1.06235704e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.50076272e-02 -2.21832925e-12 3.49061145e-12] [ 2.50076272e-02 5.79619686e-13 4.08462153e-12] [ 6.05573491e-12 2.52162819e-03 -2.20773009e-12] [ 6.23193164e-12 -2.52162819e-03 1.66053282e-12] [ 8.18481784e-12 -2.92426933e-12 3.09398327e-02] [ 7.41387507e-12 -2.44709808e-12 -3.09398327e-02] [-2.50076272e-02 -3.41433349e-12 -2.63796955e-12] [ 2.50076272e-02 -2.43573217e-12 -3.45276372e-12] [-4.25392013e-12 2.52162821e-03 -3.36818692e-12] [-2.11394097e-12 -2.52162820e-03 -2.97931800e-12] [ 8.08827831e-13 2.23407041e-13 3.09398327e-02] [-2.10400534e-12 -2.92192747e-12 -3.09398327e-02] [-3.65775541e-03 -4.47665339e-04 3.32512094e-03] [ 3.65775541e-03 4.47665342e-04 3.32512093e-03] [ 3.65775541e-03 -4.47665342e-04 -3.32512093e-03] [-3.65775540e-03 4.47665342e-04 -3.32512093e-03] [-3.65775541e-03 -4.47665339e-04 -3.32512094e-03] [ 3.65775541e-03 4.47665346e-04 -3.32512094e-03] [-3.65775541e-03 4.47665342e-04 3.32512093e-03] [ 3.65775541e-03 -4.47665342e-04 3.32512093e-03] [-3.65775542e-03 -4.47665343e-04 3.32512094e-03] [ 3.65775540e-03 4.47665344e-04 3.32512094e-03] [ 3.65775541e-03 -4.47665345e-04 -3.32512094e-03] [-3.65775542e-03 4.47665342e-04 -3.32512094e-03] [-3.65775542e-03 -4.47665341e-04 -3.32512094e-03] [ 3.65775541e-03 4.47665344e-04 -3.32512095e-03] [-3.65775542e-03 4.47665341e-04 3.32512094e-03] [ 3.65775541e-03 -4.47665344e-04 3.32512093e-03] [ 2.98008840e-12 4.04981604e-13 3.95980471e-12] [-6.48681282e-12 -5.46625431e-12 3.91265960e-12] [ 7.58981766e-12 1.43887080e-03 -2.16245344e-03] [ 2.13254761e-12 -1.43887080e-03 -2.16245345e-03] [ 1.49763153e-11 1.43887080e-03 2.16245344e-03] [ 9.63286742e-13 -1.43887078e-03 2.16245344e-03] [ 2.43089115e-03 -8.14981416e-12 -4.71597039e-03] [ 2.43089113e-03 -6.77051123e-12 4.71597038e-03] [-2.43089114e-03 -6.22644297e-13 -4.71597039e-03] [-2.43089113e-03 -5.38940247e-12 4.71597039e-03] [ 1.27663327e-03 -2.30518650e-03 3.17867954e-12] [-1.27663327e-03 -2.30518651e-03 4.62094772e-12] [ 1.27663329e-03 2.30518652e-03 3.59511899e-12] [-1.27663330e-03 2.30518653e-03 -7.57987423e-14] [ 3.32437767e-12 1.43887078e-03 -2.16245341e-03] [ 1.45328628e-13 -1.43887079e-03 -2.16245343e-03] [-3.00131491e-12 1.43887079e-03 2.16245341e-03] [-4.10187032e-12 -1.43887080e-03 2.16245343e-03] [ 2.43089115e-03 -3.91832053e-12 -4.71597039e-03] [ 2.43089116e-03 -8.01781428e-12 4.71597040e-03] [-2.43089116e-03 -5.46721392e-12 -4.71597039e-03] [-2.43089115e-03 -7.90487554e-12 4.71597039e-03] [ 1.27663327e-03 -2.30518652e-03 6.05361362e-12] [-1.27663327e-03 -2.30518651e-03 4.03485375e-12] [ 1.27663327e-03 2.30518652e-03 -6.24983607e-12] [-1.27663329e-03 2.30518653e-03 6.05808459e-12]] Final stress: [ 2.50102257e-04 1.61756699e-05 -2.28050010e-04 -8.64515899e-16 2.35248076e-15 -3.64759208e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.53845614e-04 1.70033258e-13 2.02183756e-13] [ 4.53845614e-04 -1.82076576e-13 1.52045043e-13] [ 1.66376028e-13 1.81740656e-04 4.44056684e-13] [ 3.71314091e-13 -1.81740657e-04 8.38384917e-13] [ 3.39705260e-13 -1.78050283e-13 -4.53845615e-04] [-4.05231404e-15 -1.99035233e-13 4.53845612e-04] [-4.53845614e-04 3.11022475e-13 -1.74860758e-13] [ 4.53845614e-04 6.88449731e-13 -5.14429297e-13] [-2.39479877e-13 1.81740656e-04 2.08118150e-13] [-4.03385658e-13 -1.81740656e-04 -5.09658775e-13] [-6.10841239e-13 -5.92309346e-13 -4.53845614e-04] [-1.89268740e-13 5.61372068e-13 4.53845614e-04] [-8.40797101e-05 -2.86015081e-04 -8.40797101e-05] [ 8.40797107e-05 2.86015081e-04 -8.40797102e-05] [ 8.40797109e-05 -2.86015081e-04 8.40797104e-05] [-8.40797105e-05 2.86015081e-04 8.40797100e-05] [-8.40797105e-05 -2.86015081e-04 8.40797107e-05] [ 8.40797109e-05 2.86015082e-04 8.40797105e-05] [-8.40797097e-05 2.86015080e-04 -8.40797102e-05] [ 8.40797102e-05 -2.86015081e-04 -8.40797104e-05] [-8.40797116e-05 -2.86015081e-04 -8.40797121e-05] [ 8.40797108e-05 2.86015081e-04 -8.40797099e-05] [ 8.40797098e-05 -2.86015080e-04 8.40797098e-05] [-8.40797098e-05 2.86015081e-04 8.40797100e-05] [-8.40797104e-05 -2.86015081e-04 8.40797096e-05] [ 8.40797094e-05 2.86015081e-04 8.40797095e-05] [-8.40797102e-05 2.86015082e-04 -8.40797105e-05] [ 8.40797107e-05 -2.86015081e-04 -8.40797107e-05] [ 1.07516773e-12 1.26132438e-12 3.07248671e-12] [-5.55313174e-13 5.15840989e-14 -1.05276248e-13] [-7.64499575e-13 -4.61924140e-05 -8.70571196e-05] [-7.44699441e-14 4.61924131e-05 -8.70571199e-05] [ 5.47503015e-13 -4.61924159e-05 8.70571187e-05] [ 5.84123028e-13 4.61924145e-05 8.70571196e-05] [ 4.67696060e-05 -3.96305211e-12 4.67696055e-05] [ 4.67696040e-05 1.09020258e-12 -4.67696061e-05] [-4.67696051e-05 -1.93900278e-12 4.67696056e-05] [-4.67696022e-05 -9.20419990e-13 -4.67696076e-05] [-8.70571173e-05 -4.61924164e-05 2.31392683e-12] [ 8.70571185e-05 -4.61924159e-05 1.19155727e-12] [-8.70571199e-05 4.61924140e-05 -1.40542439e-12] [ 8.70571196e-05 4.61924143e-05 -2.41539427e-12] [ 1.30738302e-13 -4.61924161e-05 -8.70571182e-05] [-9.76041730e-13 4.61924155e-05 -8.70571187e-05] [-5.79203352e-13 -4.61924122e-05 8.70571222e-05] [ 5.99965390e-13 4.61924182e-05 8.70571157e-05] [ 4.67696043e-05 5.65826462e-13 4.67696058e-05] [ 4.67696062e-05 -4.60803921e-13 -4.67696051e-05] [-4.67696057e-05 1.16541716e-12 4.67696049e-05] [-4.67696058e-05 3.66369261e-14 -4.67696058e-05] [-8.70571219e-05 -4.61924125e-05 1.59235029e-12] [ 8.70571203e-05 -4.61924138e-05 7.82354514e-13] [-8.70571197e-05 4.61924149e-05 1.17023863e-12] [ 8.70571191e-05 4.61924143e-05 2.34823229e-12]] Final stress: [ 5.06548281e-06 -1.70119856e-05 5.06548281e-06 -5.13731292e-16 5.07081049e-16 7.64777976e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.20514814e-04 2.81916851e-13 1.87703152e-13] [-4.20514813e-04 1.64285252e-13 2.32369679e-13] [ 2.45850215e-13 -3.21087308e-05 -8.31296081e-05] [ 1.56402669e-13 3.21087316e-05 8.31296084e-05] [ 1.04274662e-13 -8.31296078e-05 -3.21087315e-05] [-3.44640982e-13 8.31296079e-05 3.21087314e-05] [ 4.20514813e-04 -3.19791936e-13 -4.60246281e-14] [-4.20514814e-04 1.21864324e-15 -3.59243736e-13] [-1.93179674e-13 -3.21087308e-05 -8.31296076e-05] [-2.72805216e-13 3.21087323e-05 8.31296077e-05] [-2.75467583e-13 -8.31296084e-05 -3.21087312e-05] [-1.30576105e-13 8.31296084e-05 3.21087314e-05] [ 2.28972448e-04 1.20028127e-04 1.20028127e-04] [ 3.17754158e-04 -1.63823708e-04 1.63823708e-04] [ 3.17754158e-04 1.63823708e-04 -1.63823708e-04] [ 2.28972448e-04 -1.20028126e-04 -1.20028127e-04] [-3.17754158e-04 1.63823708e-04 -1.63823708e-04] [-2.28972448e-04 -1.20028126e-04 -1.20028126e-04] [-3.17754158e-04 -1.63823708e-04 1.63823708e-04] [-2.28972449e-04 1.20028127e-04 1.20028127e-04] [ 2.28972449e-04 1.20028127e-04 1.20028126e-04] [ 3.17754158e-04 -1.63823708e-04 1.63823708e-04] [ 3.17754158e-04 1.63823707e-04 -1.63823709e-04] [ 2.28972447e-04 -1.20028127e-04 -1.20028127e-04] [-3.17754158e-04 1.63823708e-04 -1.63823708e-04] [-2.28972448e-04 -1.20028127e-04 -1.20028127e-04] [-3.17754159e-04 -1.63823707e-04 1.63823708e-04] [-2.28972448e-04 1.20028126e-04 1.20028126e-04] [ 5.51336754e-13 -7.02882197e-13 8.37857561e-13] [ 6.27043122e-13 -1.03535334e-12 -2.76984279e-13] [ 6.60138610e-13 5.61961284e-04 5.61961283e-04] [-4.69561889e-13 1.15845206e-04 -1.15845210e-04] [ 1.21859814e-12 -1.15845206e-04 1.15845210e-04] [ 1.45305989e-12 -5.61961284e-04 -5.61961282e-04] [ 3.76480060e-05 3.83177308e-04 8.88793659e-05] [ 3.76480048e-05 -3.83177310e-04 -8.88793671e-05] [-3.76480051e-05 3.83177308e-04 8.88793661e-05] [-3.76480034e-05 -3.83177309e-04 -8.88793674e-05] [ 3.76480071e-05 8.88793638e-05 3.83177311e-04] [-3.76480068e-05 8.88793644e-05 3.83177309e-04] [ 3.76480089e-05 -8.88793635e-05 -3.83177310e-04] [-3.76480082e-05 -8.88793636e-05 -3.83177310e-04] [-7.18650833e-13 5.61961281e-04 5.61961285e-04] [ 2.97557118e-13 1.15845210e-04 -1.15845207e-04] [-2.06207881e-13 -1.15845208e-04 1.15845208e-04] [-3.91164531e-13 -5.61961283e-04 -5.61961284e-04] [ 3.76480073e-05 3.83177308e-04 8.88793644e-05] [ 3.76480077e-05 -3.83177309e-04 -8.88793630e-05] [-3.76480083e-05 3.83177309e-04 8.88793626e-05] [-3.76480077e-05 -3.83177310e-04 -8.88793639e-05] [ 3.76480037e-05 8.88793676e-05 3.83177309e-04] [-3.76480038e-05 8.88793671e-05 3.83177310e-04] [ 3.76480050e-05 -8.88793676e-05 -3.83177310e-04] [-3.76480062e-05 -8.88793656e-05 -3.83177309e-04]] Final stress: [-1.52911686e-05 5.41998441e-06 5.41998441e-06 3.31186436e-06 8.44557851e-16 -9.12720985e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.22885583e-04 2.37806302e-13 4.54501454e-13] [-4.22885584e-04 6.52811138e-14 3.42503803e-14] [-1.81806393e-13 -2.44345091e-05 8.47565869e-05] [-6.66133815e-15 2.44345083e-05 -8.47565871e-05] [-1.35212154e-13 8.47565871e-05 -2.44345099e-05] [ 2.89296365e-13 -8.47565870e-05 2.44345084e-05] [ 4.22885582e-04 6.79400113e-14 -2.83604668e-13] [-4.22885583e-04 3.09032747e-13 -3.69194018e-13] [-6.39232590e-14 -2.44345092e-05 8.47565869e-05] [-3.12310941e-14 2.44345090e-05 -8.47565876e-05] [-3.14921700e-14 8.47565868e-05 -2.44345079e-05] [ 2.72349417e-13 -8.47565871e-05 2.44345093e-05] [-3.20457247e-04 1.60094626e-04 1.60094626e-04] [-2.28558913e-04 -1.22666785e-04 1.22666785e-04] [-2.28558913e-04 1.22666785e-04 -1.22666784e-04] [-3.20457247e-04 -1.60094625e-04 -1.60094625e-04] [ 2.28558913e-04 1.22666785e-04 -1.22666784e-04] [ 3.20457247e-04 -1.60094625e-04 -1.60094625e-04] [ 2.28558914e-04 -1.22666785e-04 1.22666785e-04] [ 3.20457246e-04 1.60094626e-04 1.60094626e-04] [-3.20457247e-04 1.60094625e-04 1.60094625e-04] [-2.28558914e-04 -1.22666785e-04 1.22666785e-04] [-2.28558914e-04 1.22666785e-04 -1.22666785e-04] [-3.20457246e-04 -1.60094626e-04 -1.60094626e-04] [ 2.28558913e-04 1.22666785e-04 -1.22666785e-04] [ 3.20457247e-04 -1.60094626e-04 -1.60094626e-04] [ 2.28558913e-04 -1.22666784e-04 1.22666785e-04] [ 3.20457247e-04 1.60094626e-04 1.60094625e-04] [ 3.70925513e-13 8.99336161e-13 1.49441570e-12] [-1.44999464e-13 1.33074927e-13 -1.25227062e-12] [ 8.04578626e-13 -1.19967694e-04 -1.19967694e-04] [ 1.35613742e-13 -5.64604145e-04 5.64604145e-04] [ 1.08996145e-12 5.64604143e-04 -5.64604146e-04] [-4.43168072e-13 1.19967696e-04 1.19967694e-04] [ 4.15721683e-05 -3.74895887e-04 8.25271104e-05] [ 4.15721677e-05 3.74895885e-04 -8.25271109e-05] [-4.15721687e-05 -3.74895886e-04 8.25271106e-05] [-4.15721668e-05 3.74895886e-04 -8.25271119e-05] [ 4.15721667e-05 8.25271120e-05 -3.74895886e-04] [-4.15721670e-05 8.25271114e-05 -3.74895885e-04] [ 4.15721674e-05 -8.25271116e-05 3.74895885e-04] [-4.15721674e-05 -8.25271114e-05 3.74895885e-04] [-4.63852047e-14 -1.19967695e-04 -1.19967695e-04] [-1.89421395e-13 -5.64604145e-04 5.64604145e-04] [ 1.44925738e-13 5.64604146e-04 -5.64604145e-04] [ 9.31399489e-13 1.19967694e-04 1.19967695e-04] [ 4.15721667e-05 -3.74895885e-04 8.25271121e-05] [ 4.15721677e-05 3.74895885e-04 -8.25271119e-05] [-4.15721665e-05 -3.74895885e-04 8.25271123e-05] [-4.15721670e-05 3.74895885e-04 -8.25271121e-05] [ 4.15721672e-05 8.25271114e-05 -3.74895885e-04] [-4.15721670e-05 8.25271112e-05 -3.74895885e-04] [ 4.15721679e-05 -8.25271117e-05 3.74895887e-04] [-4.15721698e-05 -8.25271094e-05 3.74895886e-04]] Final stress: [-1.52759990e-05 5.44827066e-06 5.44827066e-06 -3.28889561e-06 -2.82627627e-16 -2.16127009e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.30432970e-04 -2.33333318e-14 9.53941787e-14] [ 4.30432970e-04 -1.72473147e-13 -5.13478149e-15] [ 1.54672716e-13 3.07701071e-05 -2.19656189e-04] [ 2.73142620e-13 -3.07701083e-05 2.19656189e-04] [ 1.68278152e-13 -2.19656189e-04 3.07701068e-05] [ 7.60502772e-14 2.19656189e-04 -3.07701082e-05] [-4.30432970e-04 -7.43008086e-14 3.57699848e-14] [ 4.30432971e-04 2.98372438e-14 6.51778195e-14] [-2.71623002e-14 3.07701083e-05 -2.19656189e-04] [-3.34920459e-13 -3.07701070e-05 2.19656189e-04] [-2.81350897e-13 -2.19656189e-04 3.07701074e-05] [-1.08354731e-13 2.19656189e-04 -3.07701075e-05] [ 2.25907317e-04 -1.34834768e-04 -1.34834768e-04] [ 1.57732384e-04 1.74381730e-04 -1.74381730e-04] [ 1.57732385e-04 -1.74381730e-04 1.74381730e-04] [ 2.25907316e-04 1.34834768e-04 1.34834768e-04] [-1.57732384e-04 -1.74381730e-04 1.74381730e-04] [-2.25907316e-04 1.34834768e-04 1.34834768e-04] [-1.57732384e-04 1.74381730e-04 -1.74381730e-04] [-2.25907317e-04 -1.34834768e-04 -1.34834768e-04] [ 2.25907316e-04 -1.34834768e-04 -1.34834769e-04] [ 1.57732384e-04 1.74381730e-04 -1.74381730e-04] [ 1.57732384e-04 -1.74381730e-04 1.74381730e-04] [ 2.25907316e-04 1.34834768e-04 1.34834768e-04] [-1.57732384e-04 -1.74381730e-04 1.74381731e-04] [-2.25907317e-04 1.34834768e-04 1.34834768e-04] [-1.57732384e-04 1.74381731e-04 -1.74381731e-04] [-2.25907316e-04 -1.34834769e-04 -1.34834768e-04] [ 5.72819570e-13 1.07205911e-12 1.14452892e-12] [-9.27205361e-14 -5.13221239e-13 -5.77503693e-13] [-5.25246513e-13 1.13088365e-04 1.13088360e-04] [-6.83139309e-13 5.92642818e-04 -5.92642826e-04] [-4.89976115e-13 -5.92642822e-04 5.92642823e-04] [-3.51569468e-13 -1.13088363e-04 -1.13088361e-04] [-2.46051534e-04 3.46408460e-04 5.77650074e-05] [-2.46051536e-04 -3.46408462e-04 -5.77650083e-05] [ 2.46051534e-04 3.46408461e-04 5.77650062e-05] [ 2.46051535e-04 -3.46408461e-04 -5.77650074e-05] [-2.46051531e-04 5.77650032e-05 3.46408461e-04] [ 2.46051531e-04 5.77650031e-05 3.46408461e-04] [-2.46051531e-04 -5.77650032e-05 -3.46408461e-04] [ 2.46051531e-04 -5.77650034e-05 -3.46408461e-04] [-3.03841154e-13 1.13088360e-04 1.13088364e-04] [ 2.71410932e-13 5.92642825e-04 -5.92642820e-04] [-2.43338336e-15 -5.92642824e-04 5.92642821e-04] [ 1.46846077e-13 -1.13088360e-04 -1.13088364e-04] [-2.46051531e-04 3.46408461e-04 5.77650037e-05] [-2.46051530e-04 -3.46408461e-04 -5.77650021e-05] [ 2.46051531e-04 3.46408461e-04 5.77650039e-05] [ 2.46051531e-04 -3.46408461e-04 -5.77650035e-05] [-2.46051535e-04 5.77650074e-05 3.46408463e-04] [ 2.46051536e-04 5.77650087e-05 3.46408463e-04] [-2.46051534e-04 -5.77650066e-05 -3.46408460e-04] [ 2.46051535e-04 -5.77650080e-05 -3.46408460e-04]] Final stress: [ 1.61020706e-05 -5.19798567e-06 -5.19798567e-06 1.86804052e-06 2.82632768e-16 1.77892389e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.44725979e-02 1.72141598e-12 3.43410630e-12] [ 1.44725979e-02 -5.42152434e-12 1.39265821e-11] [-1.07859425e-12 1.37808819e-03 6.61522941e-03] [ 1.08546228e-11 -1.37808816e-03 -6.61522941e-03] [ 1.94227794e-12 6.61522940e-03 1.37808816e-03] [-1.03023146e-12 -6.61522941e-03 -1.37808819e-03] [-1.44725979e-02 1.07661961e-11 -3.69727165e-13] [ 1.44725979e-02 1.68403919e-13 -9.30434913e-12] [ 5.59289117e-12 1.37808817e-03 6.61522939e-03] [-6.70642535e-12 -1.37808817e-03 -6.61522940e-03] [-3.17323815e-12 6.61522940e-03 1.37808817e-03] [ 2.66180827e-12 -6.61522940e-03 -1.37808816e-03] [-5.50209945e-03 -6.18520699e-03 -6.18520700e-03] [-9.77160912e-03 5.04101313e-03 -5.04101313e-03] [-9.77160911e-03 -5.04101315e-03 5.04101315e-03] [-5.50209944e-03 6.18520699e-03 6.18520701e-03] [ 9.77160912e-03 -5.04101316e-03 5.04101315e-03] [ 5.50209945e-03 6.18520701e-03 6.18520701e-03] [ 9.77160911e-03 5.04101313e-03 -5.04101314e-03] [ 5.50209944e-03 -6.18520699e-03 -6.18520701e-03] [-5.50209946e-03 -6.18520700e-03 -6.18520702e-03] [-9.77160910e-03 5.04101315e-03 -5.04101315e-03] [-9.77160911e-03 -5.04101314e-03 5.04101314e-03] [-5.50209945e-03 6.18520700e-03 6.18520699e-03] [ 9.77160910e-03 -5.04101313e-03 5.04101314e-03] [ 5.50209944e-03 6.18520699e-03 6.18520699e-03] [ 9.77160909e-03 5.04101316e-03 -5.04101315e-03] [ 5.50209945e-03 -6.18520699e-03 -6.18520698e-03] [ 2.70321265e-11 -1.94693428e-11 3.34691719e-11] [-4.35251097e-12 2.63257769e-13 -1.72160327e-11] [-9.31998922e-12 -2.11149693e-02 -2.11149693e-02] [-1.26412943e-12 -6.58307640e-03 6.58307640e-03] [ 7.12174070e-12 6.58307636e-03 -6.58307642e-03] [ 5.24743964e-12 2.11149694e-02 2.11149692e-02] [-5.30023564e-03 -1.26054837e-02 2.07236873e-03] [-5.30023571e-03 1.26054837e-02 -2.07236879e-03] [ 5.30023567e-03 -1.26054837e-02 2.07236875e-03] [ 5.30023573e-03 1.26054837e-02 -2.07236879e-03] [-5.30023573e-03 2.07236881e-03 -1.26054837e-02] [ 5.30023570e-03 2.07236878e-03 -1.26054837e-02] [-5.30023566e-03 -2.07236875e-03 1.26054837e-02] [ 5.30023566e-03 -2.07236876e-03 1.26054837e-02] [-5.80450054e-12 -2.11149693e-02 -2.11149693e-02] [ 8.11692857e-12 -6.58307637e-03 6.58307640e-03] [-2.20699882e-11 6.58307640e-03 -6.58307642e-03] [ 3.62300424e-12 2.11149693e-02 2.11149693e-02] [-5.30023571e-03 -1.26054837e-02 2.07236879e-03] [-5.30023568e-03 1.26054837e-02 -2.07236877e-03] [ 5.30023572e-03 -1.26054837e-02 2.07236880e-03] [ 5.30023570e-03 1.26054837e-02 -2.07236879e-03] [-5.30023568e-03 2.07236875e-03 -1.26054836e-02] [ 5.30023567e-03 2.07236873e-03 -1.26054836e-02] [-5.30023570e-03 -2.07236876e-03 1.26054837e-02] [ 5.30023569e-03 -2.07236876e-03 1.26054837e-02]] Final stress: [ 5.57552485e-04 -8.35227463e-05 -8.35227463e-05 8.02696277e-05 -6.66680824e-16 1.23693400e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.24898266e-04 4.76190268e-14 -8.51369199e-05] [-4.24898267e-04 4.72399897e-14 8.51369204e-05] [ 1.20898517e-13 -1.93917487e-05 1.66920731e-13] [-1.05526698e-13 1.93917503e-05 3.74200670e-13] [-8.51072220e-05 -1.35795021e-13 -1.90101717e-05] [ 8.51072222e-05 -4.37483383e-13 1.90101713e-05] [ 4.24898267e-04 1.61788551e-13 -8.51369198e-05] [-4.24898266e-04 -1.39450517e-13 8.51369197e-05] [-3.46363129e-13 -1.93917493e-05 3.07093537e-13] [-2.93995297e-13 1.93917499e-05 -1.70873926e-13] [-8.51072222e-05 -1.55314909e-13 -1.90101723e-05] [ 8.51072218e-05 2.47356550e-13 1.90101711e-05] [-6.32037249e-05 4.16103140e-04 1.24359958e-04] [ 3.05169022e-05 1.34445974e-04 1.57640493e-04] [ 6.32037253e-05 4.16103139e-04 -1.24359958e-04] [-3.05169021e-05 1.34445974e-04 -1.57640494e-04] [-3.05169025e-05 -1.34445973e-04 -1.57640494e-04] [ 6.32037246e-05 -4.16103139e-04 -1.24359958e-04] [-6.32037242e-05 -4.16103139e-04 1.24359958e-04] [ 3.05169029e-05 -1.34445974e-04 1.57640493e-04] [-6.32037249e-05 4.16103139e-04 1.24359958e-04] [ 3.05169025e-05 1.34445974e-04 1.57640494e-04] [ 6.32037246e-05 4.16103139e-04 -1.24359959e-04] [-3.05169030e-05 1.34445974e-04 -1.57640493e-04] [-3.05169028e-05 -1.34445973e-04 -1.57640493e-04] [ 6.32037246e-05 -4.16103139e-04 -1.24359959e-04] [-6.32037249e-05 -4.16103138e-04 1.24359958e-04] [ 3.05169026e-05 -1.34445973e-04 1.57640493e-04] [ 1.12068688e-12 -9.65810765e-13 9.89680560e-13] [-4.00584080e-13 -1.41815512e-13 7.81462346e-13] [ 3.69718507e-04 2.21719110e-04 2.21851210e-04] [ 3.69718508e-04 -2.21719109e-04 2.21851211e-04] [-3.69718509e-04 2.21719108e-04 -2.21851211e-04] [-3.69718509e-04 -2.21719105e-04 -2.21851214e-04] [ 3.89165071e-04 -9.81770221e-13 4.23561545e-04] [-3.01073895e-04 3.14684043e-13 2.66547977e-04] [ 3.01073894e-04 -1.78703927e-12 -2.66547978e-04] [-3.89165072e-04 -4.70415373e-13 -4.23561543e-04] [ 4.40367058e-05 7.83662009e-05 3.69097804e-04] [-4.40367063e-05 7.83661999e-05 -3.69097802e-04] [ 4.40367064e-05 -7.83662009e-05 3.69097803e-04] [-4.40367081e-05 -7.83661987e-05 -3.69097804e-04] [ 3.69718510e-04 2.21719109e-04 2.21851211e-04] [ 3.69718508e-04 -2.21719110e-04 2.21851210e-04] [-3.69718508e-04 2.21719109e-04 -2.21851211e-04] [-3.69718508e-04 -2.21719107e-04 -2.21851212e-04] [ 3.89165070e-04 -2.11465583e-12 4.23561545e-04] [-3.01073894e-04 -1.31173327e-12 2.66547979e-04] [ 3.01073897e-04 -1.03208848e-12 -2.66547975e-04] [-3.89165071e-04 -1.25029761e-12 -4.23561545e-04] [ 4.40367075e-05 7.83661989e-05 3.69097804e-04] [-4.40367074e-05 7.83661997e-05 -3.69097803e-04] [ 4.40367080e-05 -7.83661983e-05 3.69097803e-04] [-4.40367056e-05 -7.83662007e-05 -3.69097803e-04]] Final stress: [-1.52605933e-05 5.46295793e-06 5.46714868e-06 2.17789525e-16 3.26655287e-06 3.72403462e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.23365438e-04 1.66221203e-13 8.39244849e-05] [-4.23365438e-04 1.18571819e-13 -8.39244851e-05] [-2.57703581e-13 -2.44926622e-05 9.47432237e-14] [-1.46632706e-13 2.44926625e-05 4.39370762e-13] [ 8.38986944e-05 9.64913913e-14 -2.41109469e-05] [-8.38986947e-05 -1.92790228e-13 2.41109457e-05] [ 4.23365437e-04 -2.13611680e-13 8.39244847e-05] [-4.23365438e-04 2.24256377e-15 -8.39244847e-05] [-1.55726994e-13 -2.44926623e-05 1.67340610e-14] [-1.06247476e-14 2.44926626e-05 -1.13863617e-13] [ 8.38986945e-05 8.41423347e-14 -2.41109459e-05] [-8.38986940e-05 1.52829464e-13 2.41109456e-05] [-2.73422335e-05 -1.33405938e-04 1.60155073e-04] [ 6.43303175e-05 -4.15789229e-04 1.22573450e-04] [ 2.73422335e-05 -1.33405937e-04 -1.60155073e-04] [-6.43303177e-05 -4.15789229e-04 -1.22573449e-04] [-6.43303181e-05 4.15789229e-04 -1.22573450e-04] [ 2.73422328e-05 1.33405937e-04 -1.60155073e-04] [-2.73422329e-05 1.33405938e-04 1.60155072e-04] [ 6.43303174e-05 4.15789229e-04 1.22573450e-04] [-2.73422336e-05 -1.33405937e-04 1.60155072e-04] [ 6.43303181e-05 -4.15789229e-04 1.22573449e-04] [ 2.73422332e-05 -1.33405937e-04 -1.60155073e-04] [-6.43303166e-05 -4.15789229e-04 -1.22573450e-04] [-6.43303167e-05 4.15789229e-04 -1.22573450e-04] [ 2.73422332e-05 1.33405937e-04 -1.60155073e-04] [-2.73422334e-05 1.33405938e-04 1.60155072e-04] [ 6.43303173e-05 4.15789229e-04 1.22573449e-04] [-1.55542246e-13 -4.33431069e-13 1.95493621e-12] [ 1.11234242e-12 1.70605468e-13 3.30655118e-13] [-3.75261109e-04 2.22180685e-04 2.22312113e-04] [-3.75261111e-04 -2.22180685e-04 2.22312113e-04] [ 3.75261110e-04 2.22180685e-04 -2.22312113e-04] [ 3.75261110e-04 -2.22180686e-04 -2.22312113e-04] [-3.01142190e-04 -1.11055609e-12 -2.60357463e-04] [ 3.84575749e-04 -1.49949497e-14 -4.25240842e-04] [-3.84575749e-04 -1.09975223e-12 4.25240844e-04] [ 3.01142190e-04 2.43688750e-13 2.60357464e-04] [ 4.17076689e-05 8.23015431e-05 -3.74640590e-04] [-4.17076682e-05 8.23015443e-05 3.74640593e-04] [ 4.17076684e-05 -8.23015437e-05 -3.74640592e-04] [-4.17076683e-05 -8.23015446e-05 3.74640591e-04] [-3.75261111e-04 2.22180684e-04 2.22312113e-04] [-3.75261111e-04 -2.22180686e-04 2.22312113e-04] [ 3.75261110e-04 2.22180684e-04 -2.22312112e-04] [ 3.75261110e-04 -2.22180682e-04 -2.22312115e-04] [-3.01142188e-04 4.10099585e-13 -2.60357465e-04] [ 3.84575749e-04 -5.77833137e-13 -4.25240843e-04] [-3.84575750e-04 3.32000486e-13 4.25240842e-04] [ 3.01142189e-04 -4.14075892e-13 2.60357466e-04] [ 4.17076679e-05 8.23015451e-05 -3.74640592e-04] [-4.17076667e-05 8.23015460e-05 3.74640592e-04] [ 4.17076676e-05 -8.23015449e-05 -3.74640591e-04] [-4.17076675e-05 -8.23015453e-05 3.74640591e-04]] Final stress: [-1.52715480e-05 5.44505663e-06 5.44922626e-06 2.31089648e-16 -3.28313222e-06 -4.23941441e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.30585335e-04 4.93290304e-14 -5.43492012e-05] [ 4.30585334e-04 1.25455202e-14 5.43492013e-05] [ 1.51088777e-13 2.41630720e-05 1.71144782e-13] [ 1.22457600e-13 -2.41630714e-05 -8.08242362e-14] [-5.43318942e-05 -1.88746588e-14 2.45407726e-05] [ 5.43318941e-05 -1.09079412e-13 -2.45407717e-05] [-4.30585334e-04 -2.50979359e-13 -5.43492016e-05] [ 4.30585335e-04 1.53212078e-13 5.43492009e-05] [-1.38036717e-13 2.41630718e-05 -2.04589257e-13] [ 2.00724853e-14 -2.41630713e-05 -8.79031935e-14] [-5.43318942e-05 -1.84541014e-14 2.45407707e-05] [ 5.43318943e-05 -2.74082975e-13 -2.45407723e-05] [ 9.28112638e-07 1.33434593e-04 -1.84166834e-04] [-6.70226418e-05 4.36566677e-04 -1.18606949e-04] [-9.28112677e-07 1.33434592e-04 1.84166834e-04] [ 6.70226418e-05 4.36566676e-04 1.18606948e-04] [ 6.70226417e-05 -4.36566676e-04 1.18606948e-04] [-9.28112926e-07 -1.33434593e-04 1.84166835e-04] [ 9.28111842e-07 -1.33434593e-04 -1.84166833e-04] [-6.70226411e-05 -4.36566676e-04 -1.18606949e-04] [ 9.28112064e-07 1.33434592e-04 -1.84166833e-04] [-6.70226418e-05 4.36566676e-04 -1.18606948e-04] [-9.28112205e-07 1.33434592e-04 1.84166834e-04] [ 6.70226410e-05 4.36566677e-04 1.18606949e-04] [ 6.70226412e-05 -4.36566677e-04 1.18606948e-04] [-9.28112129e-07 -1.33434592e-04 1.84166834e-04] [ 9.28111634e-07 -1.33434592e-04 -1.84166834e-04] [-6.70226420e-05 -4.36566675e-04 -1.18606948e-04] [ 1.05818132e-12 -1.11818887e-12 -8.42492742e-13] [-1.41053835e-12 -1.54200553e-13 4.87903776e-13] [ 3.94429393e-04 -2.32286514e-04 -2.32162682e-04] [ 3.94429392e-04 2.32286513e-04 -2.32162683e-04] [-3.94429391e-04 -2.32286514e-04 2.32162683e-04] [-3.94429393e-04 2.32286513e-04 2.32162683e-04] [ 2.75956238e-04 -8.68971561e-13 2.30664355e-04] [-3.81490311e-04 -1.30144853e-12 4.26859115e-04] [ 3.81490311e-04 -2.04395528e-13 -4.26859115e-04] [-2.75956238e-04 -4.82872423e-13 -2.30664354e-04] [-5.27755736e-05 -9.82299108e-05 3.95021044e-04] [ 5.27755731e-05 -9.82299123e-05 -3.95021044e-04] [-5.27755719e-05 9.82299129e-05 3.95021045e-04] [ 5.27755726e-05 9.82299125e-05 -3.95021043e-04] [ 3.94429392e-04 -2.32286511e-04 -2.32162684e-04] [ 3.94429393e-04 2.32286512e-04 -2.32162684e-04] [-3.94429391e-04 -2.32286513e-04 2.32162684e-04] [-3.94429391e-04 2.32286511e-04 2.32162684e-04] [ 2.75956237e-04 -2.27070661e-13 2.30664355e-04] [-3.81490314e-04 3.60351722e-13 4.26859112e-04] [ 3.81490313e-04 -1.57410413e-12 -4.26859114e-04] [-2.75956237e-04 8.21625754e-14 -2.30664356e-04] [-5.27755717e-05 -9.82299138e-05 3.95021045e-04] [ 5.27755732e-05 -9.82299129e-05 -3.95021045e-04] [-5.27755713e-05 9.82299137e-05 3.95021044e-04] [ 5.27755701e-05 9.82299159e-05 -3.95021045e-04]] Final stress: [ 1.52227140e-05 -5.29904985e-06 -5.29509259e-06 2.72657494e-16 3.62089565e-06 -5.66928082e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.30639730e-04 1.05027965e-13 5.43851310e-05] [ 4.30639730e-04 1.05415676e-13 -5.43851305e-05] [-7.56009838e-14 2.40204725e-05 9.24867821e-15] [ 2.92266211e-14 -2.40204722e-05 -2.26374475e-13] [ 5.43679299e-05 1.59507824e-15 2.43981657e-05] [-5.43679295e-05 2.33840725e-13 -2.43981677e-05] [-4.30639731e-04 -2.54289645e-13 5.43851315e-05] [ 4.30639730e-04 -1.70766179e-14 -5.43851311e-05] [-4.55189272e-13 2.40204724e-05 -1.24086798e-13] [ 1.90898079e-13 -2.40204722e-05 3.35027973e-14] [ 5.43679294e-05 -4.19202909e-14 2.43981668e-05] [-5.43679298e-05 5.43418187e-14 -2.43981665e-05] [ 6.69939526e-05 -4.36570011e-04 -1.18652653e-04] [-1.01114066e-06 -1.33458299e-04 -1.84100809e-04] [-6.69939523e-05 -4.36570012e-04 1.18652653e-04] [ 1.01114105e-06 -1.33458298e-04 1.84100809e-04] [ 1.01114039e-06 1.33458298e-04 1.84100809e-04] [-6.69939521e-05 4.36570012e-04 1.18652654e-04] [ 6.69939519e-05 4.36570011e-04 -1.18652653e-04] [-1.01114068e-06 1.33458299e-04 -1.84100809e-04] [ 6.69939519e-05 -4.36570012e-04 -1.18652653e-04] [-1.01114004e-06 -1.33458299e-04 -1.84100809e-04] [-6.69939527e-05 -4.36570012e-04 1.18652653e-04] [ 1.01114109e-06 -1.33458299e-04 1.84100808e-04] [ 1.01114076e-06 1.33458299e-04 1.84100808e-04] [-6.69939527e-05 4.36570011e-04 1.18652653e-04] [ 6.69939520e-05 4.36570011e-04 -1.18652654e-04] [-1.01114026e-06 1.33458299e-04 -1.84100808e-04] [ 5.81784620e-13 1.00808251e-13 1.78393411e-12] [-2.63220435e-13 -2.95073881e-13 -5.60849716e-13] [-3.94287997e-04 -2.32270903e-04 -2.32147054e-04] [-3.94287996e-04 2.32270901e-04 -2.32147056e-04] [ 3.94287998e-04 -2.32270902e-04 2.32147054e-04] [ 3.94287997e-04 2.32270903e-04 2.32147054e-04] [-3.81620606e-04 2.12163620e-13 -4.26797768e-04] [ 2.75940209e-04 -4.84086729e-13 -2.30840233e-04] [-2.75940209e-04 4.41768150e-13 2.30840233e-04] [ 3.81620607e-04 -9.77487188e-13 4.26797766e-04] [-5.28487306e-05 -9.81113052e-05 -3.94879654e-04] [ 5.28487314e-05 -9.81113051e-05 3.94879653e-04] [-5.28487291e-05 9.81113070e-05 -3.94879653e-04] [ 5.28487303e-05 9.81113060e-05 3.94879653e-04] [-3.94287996e-04 -2.32270899e-04 -2.32147057e-04] [-3.94287996e-04 2.32270899e-04 -2.32147058e-04] [ 3.94287996e-04 -2.32270899e-04 2.32147057e-04] [ 3.94287996e-04 2.32270898e-04 2.32147058e-04] [-3.81620610e-04 -3.55082718e-13 -4.26797763e-04] [ 2.75940206e-04 -3.95589594e-13 -2.30840237e-04] [-2.75940207e-04 -6.05225939e-13 2.30840235e-04] [ 3.81620609e-04 1.27594983e-13 4.26797764e-04] [-5.28487283e-05 -9.81113083e-05 -3.94879652e-04] [ 5.28487272e-05 -9.81113091e-05 3.94879655e-04] [-5.28487271e-05 9.81113090e-05 -3.94879654e-04] [ 5.28487259e-05 9.81113100e-05 3.94879654e-04]] Final stress: [ 1.52224273e-05 -5.29957920e-06 -5.29562153e-06 -4.13973878e-16 -3.62042103e-06 -1.32671147e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.23857624e-04 -8.43208116e-05 7.68820771e-14] [-4.23857623e-04 8.43208109e-05 2.43915999e-13] [-8.42937587e-05 -2.24704813e-05 8.92450176e-14] [ 8.42937585e-05 2.24704817e-05 4.06896739e-13] [ 1.84873818e-14 -2.39362349e-13 -2.28521544e-05] [ 4.95159469e-14 -7.46624984e-15 2.28521530e-05] [ 4.23857625e-04 -8.43208112e-05 -1.23526232e-13] [-4.23857624e-04 8.43208114e-05 1.43589270e-14] [-8.42937587e-05 -2.24704815e-05 -3.38524050e-13] [ 8.42937583e-05 2.24704817e-05 -3.68634028e-14] [-2.66692050e-14 3.23223245e-13 -2.28521539e-05] [ 2.07900537e-13 -1.35742652e-13 2.28521538e-05] [-6.39657992e-05 1.23150020e-04 4.15887197e-04] [ 6.39657993e-05 -1.23150020e-04 4.15887197e-04] [ 2.83645619e-05 1.59344867e-04 1.33736912e-04] [-2.83645617e-05 -1.59344868e-04 1.33736911e-04] [-6.39657998e-05 1.23150020e-04 -4.15887197e-04] [ 6.39657994e-05 -1.23150020e-04 -4.15887197e-04] [-2.83645613e-05 -1.59344868e-04 -1.33736911e-04] [ 2.83645614e-05 1.59344868e-04 -1.33736912e-04] [-6.39658002e-05 1.23150021e-04 4.15887197e-04] [ 6.39657998e-05 -1.23150020e-04 4.15887197e-04] [ 2.83645611e-05 1.59344869e-04 1.33736911e-04] [-2.83645616e-05 -1.59344868e-04 1.33736911e-04] [-6.39657998e-05 1.23150021e-04 -4.15887197e-04] [ 6.39657994e-05 -1.23150020e-04 -4.15887197e-04] [-2.83645615e-05 -1.59344868e-04 -1.33736912e-04] [ 2.83645611e-05 1.59344868e-04 -1.33736912e-04] [-1.98424610e-13 -1.09356968e-12 1.14275256e-12] [-6.78039656e-13 1.06299444e-13 8.55001719e-14] [ 3.73477707e-04 2.22165671e-04 2.22034024e-04] [-3.73477708e-04 -2.22165672e-04 2.22034023e-04] [ 3.73477707e-04 2.22165669e-04 -2.22034025e-04] [-3.73477708e-04 -2.22165671e-04 -2.22034024e-04] [ 4.24461208e-05 3.72857122e-04 8.10472745e-05] [ 4.24461187e-05 3.72857122e-04 -8.10472757e-05] [-4.24461215e-05 -3.72857123e-04 8.10472731e-05] [-4.24461193e-05 -3.72857123e-04 -8.10472746e-05] [ 3.86042546e-04 4.24713561e-04 6.94000413e-13] [ 3.01132233e-04 -2.62338438e-04 1.79965418e-13] [-3.01132233e-04 2.62338437e-04 1.34501785e-13] [-3.86042548e-04 -4.24713559e-04 -3.00141856e-13] [ 3.73477707e-04 2.22165670e-04 2.22034025e-04] [-3.73477707e-04 -2.22165671e-04 2.22034024e-04] [ 3.73477707e-04 2.22165672e-04 -2.22034024e-04] [-3.73477708e-04 -2.22165671e-04 -2.22034024e-04] [ 4.24461200e-05 3.72857123e-04 8.10472748e-05] [ 4.24461203e-05 3.72857122e-04 -8.10472748e-05] [-4.24461189e-05 -3.72857122e-04 8.10472753e-05] [-4.24461193e-05 -3.72857123e-04 -8.10472753e-05] [ 3.86042547e-04 4.24713559e-04 1.33423276e-12] [ 3.01132234e-04 -2.62338436e-04 1.11247025e-12] [-3.01132232e-04 2.62338439e-04 1.04825341e-12] [-3.86042547e-04 -4.24713560e-04 1.23736134e-12]] Final stress: [-1.52680295e-05 5.45495859e-06 5.45078223e-06 -4.55529235e-16 -4.78804451e-16 3.27773219e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.24759925e-04 8.50394897e-05 -3.47152862e-14] [-4.24759926e-04 -8.50394898e-05 3.81639165e-14] [ 8.50101322e-05 -1.94650724e-05 8.77466502e-14] [-8.50101320e-05 1.94650729e-05 -1.76775261e-13] [ 3.01134985e-14 -3.29285210e-13 -1.98466642e-05] [ 2.54574140e-13 1.73444592e-13 1.98466641e-05] [ 4.24759925e-04 8.50394904e-05 -2.85718898e-13] [-4.24759925e-04 -8.50394900e-05 -3.34828506e-13] [ 8.50101319e-05 -1.94650718e-05 -8.34368878e-14] [-8.50101315e-05 1.94650727e-05 -1.70259959e-13] [ 6.09477746e-14 5.04046167e-14 -1.98466643e-05] [-5.17910367e-14 -7.31118519e-14 1.98466633e-05] [-3.02359733e-05 1.57862135e-04 -1.34347212e-04] [ 3.02359737e-05 -1.57862134e-04 -1.34347212e-04] [ 6.33004648e-05 1.24203921e-04 -4.16069812e-04] [-6.33004644e-05 -1.24203922e-04 -4.16069813e-04] [-3.02359729e-05 1.57862134e-04 1.34347212e-04] [ 3.02359728e-05 -1.57862134e-04 1.34347212e-04] [-6.33004648e-05 -1.24203921e-04 4.16069812e-04] [ 6.33004645e-05 1.24203922e-04 4.16069812e-04] [-3.02359730e-05 1.57862134e-04 -1.34347212e-04] [ 3.02359728e-05 -1.57862134e-04 -1.34347213e-04] [ 6.33004646e-05 1.24203922e-04 -4.16069812e-04] [-6.33004652e-05 -1.24203921e-04 -4.16069812e-04] [-3.02359728e-05 1.57862134e-04 1.34347212e-04] [ 3.02359726e-05 -1.57862134e-04 1.34347212e-04] [-6.33004653e-05 -1.24203921e-04 4.16069812e-04] [ 6.33004643e-05 1.24203922e-04 4.16069812e-04] [ 1.53360658e-12 -5.47673018e-13 5.27022870e-13] [-1.57181993e-13 -1.68896594e-13 6.51653710e-13] [-3.70211140e-04 2.21895157e-04 2.21763112e-04] [ 3.70211140e-04 -2.21895157e-04 2.21763112e-04] [-3.70211140e-04 2.21895156e-04 -2.21763111e-04] [ 3.70211140e-04 -2.21895155e-04 -2.21763113e-04] [ 4.38111868e-05 -3.69590441e-04 7.87362071e-05] [ 4.38111856e-05 -3.69590441e-04 -7.87362079e-05] [-4.38111865e-05 3.69590441e-04 7.87362079e-05] [-4.38111850e-05 3.69590441e-04 -7.87362086e-05] [-3.01099919e-04 -2.65978966e-04 2.28261854e-13] [-3.88740085e-04 4.23732480e-04 4.84348672e-13] [ 3.88740086e-04 -4.23732480e-04 5.49746013e-13] [ 3.01099919e-04 2.65978966e-04 3.99385386e-14] [-3.70211139e-04 2.21895158e-04 2.21763110e-04] [ 3.70211139e-04 -2.21895159e-04 2.21763109e-04] [-3.70211140e-04 2.21895158e-04 -2.21763109e-04] [ 3.70211139e-04 -2.21895159e-04 -2.21763109e-04] [ 4.38111837e-05 -3.69590442e-04 7.87362103e-05] [ 4.38111838e-05 -3.69590442e-04 -7.87362097e-05] [-4.38111844e-05 3.69590441e-04 7.87362100e-05] [-4.38111838e-05 3.69590442e-04 -7.87362101e-05] [-3.01099917e-04 -2.65978968e-04 8.69818086e-13] [-3.88740089e-04 4.23732477e-04 4.61686214e-13] [ 3.88740088e-04 -4.23732478e-04 -8.37036468e-14] [ 3.01099917e-04 2.65978968e-04 -1.48821060e-13]] Final stress: [-1.52615662e-05 5.46549512e-06 5.46130628e-06 8.81133191e-17 -4.27266472e-16 -3.26791794e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.27478457e-04 -5.19481114e-05 1.93334931e-14] [ 4.27478456e-04 5.19481112e-05 -1.10994547e-13] [-5.19243855e-05 3.28366556e-05 -9.37904268e-14] [ 5.19243854e-05 -3.28366543e-05 -8.36553049e-14] [-1.31167213e-13 4.05877588e-14 3.24585956e-05] [ 3.84442478e-13 2.55906407e-14 -3.24585953e-05] [-4.27478457e-04 -5.19481113e-05 -7.53465192e-14] [ 4.27478457e-04 5.19481118e-05 1.00902380e-13] [-5.19243858e-05 3.28366546e-05 1.43852587e-13] [ 5.19243852e-05 -3.28366542e-05 -8.75295989e-15] [ 3.14331026e-13 -3.08289707e-14 3.24585953e-05] [-3.20249903e-13 6.32822185e-14 -3.24585954e-05] [-3.96097322e-06 -1.88082465e-04 1.32229073e-04] [ 3.96097344e-06 1.88082465e-04 1.32229074e-04] [-6.88030591e-05 -1.15851682e-04 4.36524622e-04] [ 6.88030584e-05 1.15851681e-04 4.36524621e-04] [-3.96097353e-06 -1.88082465e-04 -1.32229074e-04] [ 3.96097338e-06 1.88082465e-04 -1.32229074e-04] [ 6.88030591e-05 1.15851681e-04 -4.36524622e-04] [-6.88030585e-05 -1.15851681e-04 -4.36524622e-04] [-3.96097362e-06 -1.88082465e-04 1.32229073e-04] [ 3.96097343e-06 1.88082465e-04 1.32229073e-04] [-6.88030590e-05 -1.15851682e-04 4.36524621e-04] [ 6.88030591e-05 1.15851682e-04 4.36524622e-04] [-3.96097336e-06 -1.88082465e-04 -1.32229074e-04] [ 3.96097353e-06 1.88082465e-04 -1.32229074e-04] [ 6.88030590e-05 1.15851682e-04 -4.36524623e-04] [-6.88030591e-05 -1.15851682e-04 -4.36524622e-04] [ 6.59666766e-13 -7.80014942e-13 2.27012853e-13] [-3.78625083e-14 -7.32117236e-14 -3.35998153e-13] [ 4.02700846e-04 -2.32976484e-04 -2.33099379e-04] [-4.02700847e-04 2.32976484e-04 -2.33099378e-04] [ 4.02700846e-04 -2.32976486e-04 2.33099378e-04] [-4.02700847e-04 2.32976486e-04 2.33099377e-04] [-4.91260611e-05 4.03291904e-04 -1.04479717e-04] [-4.91260596e-05 4.03291904e-04 1.04479719e-04] [ 4.91260589e-05 -4.03291905e-04 -1.04479720e-04] [ 4.91260601e-05 -4.03291904e-04 1.04479719e-04] [ 2.76218352e-04 2.21018672e-04 3.02868841e-13] [ 3.74452573e-04 -4.29714116e-04 2.48034232e-13] [-3.74452574e-04 4.29714115e-04 -7.45584150e-14] [-2.76218353e-04 -2.21018671e-04 -1.15206455e-13] [ 4.02700846e-04 -2.32976489e-04 -2.33099375e-04] [-4.02700846e-04 2.32976488e-04 -2.33099375e-04] [ 4.02700847e-04 -2.32976489e-04 2.33099374e-04] [-4.02700846e-04 2.32976491e-04 2.33099374e-04] [-4.91260564e-05 4.03291904e-04 -1.04479723e-04] [-4.91260546e-05 4.03291904e-04 1.04479725e-04] [ 4.91260568e-05 -4.03291905e-04 -1.04479722e-04] [ 4.91260570e-05 -4.03291904e-04 1.04479723e-04] [ 2.76218349e-04 2.21018675e-04 1.36229243e-12] [ 3.74452578e-04 -4.29714111e-04 -3.35636063e-13] [-3.74452576e-04 4.29714113e-04 9.63777821e-13] [-2.76218348e-04 -2.21018677e-04 -2.76015755e-13]] Final stress: [ 1.52396469e-05 -5.26626208e-06 -5.27019680e-06 1.76229844e-16 -2.54369492e-16 3.65180794e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.31504888e-04 5.50434653e-05 2.65818183e-13] [ 4.31504887e-04 -5.50434650e-05 1.80050419e-13] [ 5.50280388e-05 2.20923730e-05 3.01919080e-13] [-5.50280384e-05 -2.20923734e-05 5.16475751e-13] [-1.28462345e-13 3.28864540e-13 2.17147763e-05] [ 4.05786516e-14 8.21009927e-14 -2.17147778e-05] [-4.31504889e-04 5.50434651e-05 -7.86427655e-14] [ 4.31504888e-04 -5.50434650e-05 -6.11997100e-13] [ 5.50280384e-05 2.20923731e-05 -2.69548465e-13] [-5.50280386e-05 -2.20923733e-05 2.31180134e-14] [-2.72645621e-13 -5.62613361e-15 2.17147766e-05] [-5.25083449e-14 -2.09647143e-13 -2.17147764e-05] [ 6.65023106e-05 -1.19415599e-04 -4.36586411e-04] [-6.65023111e-05 1.19415599e-04 -4.36586411e-04] [-2.36817855e-06 -1.83014709e-04 -1.33798710e-04] [ 2.36817758e-06 1.83014710e-04 -1.33798710e-04] [ 6.65023098e-05 -1.19415600e-04 4.36586412e-04] [-6.65023100e-05 1.19415600e-04 4.36586411e-04] [ 2.36817816e-06 1.83014710e-04 1.33798711e-04] [-2.36817864e-06 -1.83014709e-04 1.33798711e-04] [ 6.65023104e-05 -1.19415600e-04 -4.36586412e-04] [-6.65023103e-05 1.19415600e-04 -4.36586412e-04] [-2.36817844e-06 -1.83014710e-04 -1.33798711e-04] [ 2.36817842e-06 1.83014709e-04 -1.33798711e-04] [ 6.65023103e-05 -1.19415599e-04 4.36586411e-04] [-6.65023111e-05 1.19415599e-04 4.36586411e-04] [ 2.36817840e-06 1.83014710e-04 1.33798710e-04] [-2.36817778e-06 -1.83014710e-04 1.33798710e-04] [ 4.61186644e-13 4.94271291e-13 1.66913705e-12] [ 7.35590842e-13 -1.23345570e-13 -1.14317430e-12] [-3.91990744e-04 -2.31918135e-04 -2.32042246e-04] [ 3.91990745e-04 2.31918135e-04 -2.32042246e-04] [-3.91990743e-04 -2.31918138e-04 2.32042245e-04] [ 3.91990745e-04 2.31918137e-04 2.32042245e-04] [-5.38793421e-05 -3.92582561e-04 -9.63566763e-05] [-5.38793432e-05 -3.92582560e-04 9.63566761e-05] [ 5.38793429e-05 3.92582558e-04 -9.63566764e-05] [ 5.38793447e-05 3.92582558e-04 9.63566753e-05] [-3.83591230e-04 -4.25984979e-04 1.47659662e-13] [-2.75849380e-04 2.33537004e-04 2.59601368e-14] [ 2.75849378e-04 -2.33537006e-04 -8.35732525e-13] [ 3.83591233e-04 4.25984977e-04 -2.91915797e-13] [-3.91990745e-04 -2.31918138e-04 -2.32042245e-04] [ 3.91990744e-04 2.31918140e-04 -2.32042242e-04] [-3.91990744e-04 -2.31918137e-04 2.32042246e-04] [ 3.91990745e-04 2.31918140e-04 2.32042242e-04] [-5.38793423e-05 -3.92582558e-04 -9.63566769e-05] [-5.38793402e-05 -3.92582559e-04 9.63566781e-05] [ 5.38793421e-05 3.92582560e-04 -9.63566779e-05] [ 5.38793396e-05 3.92582559e-04 9.63566788e-05] [-3.83591235e-04 -4.25984975e-04 1.23126162e-12] [-2.75849376e-04 2.33537007e-04 6.36939991e-13] [ 2.75849376e-04 -2.33537007e-04 9.77137933e-13] [ 3.83591233e-04 4.25984976e-04 1.64779648e-12]] Final stress: [ 1.52177223e-05 -5.30368740e-06 -5.30765155e-06 -1.86205118e-16 -4.40574609e-16 -3.61192599e-06] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.58546424e-04 -5.77658581e-14 -9.37409872e-14] [ 5.58546424e-04 -2.09554596e-14 -8.60422844e-14] [ 2.69337504e-14 -8.22715600e-04 -1.15257630e-13] [ 2.12052598e-14 8.22715600e-04 5.41233725e-15] [-8.94150205e-14 8.95945644e-14 -5.58546424e-04] [-8.68471961e-14 3.36397576e-14 5.58546424e-04] [-5.58546424e-04 -1.98213841e-13 -1.05983432e-13] [ 5.58546424e-04 -1.75869735e-13 -5.20036593e-14] [ 5.05745619e-14 -8.22715599e-04 1.91376108e-13] [ 4.18489028e-14 8.22715600e-04 -3.11273445e-14] [-1.08171718e-13 2.33354407e-14 -5.58546424e-04] [-4.75865007e-14 -2.03810687e-13 5.58546424e-04] [-2.31790142e-04 1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 -1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 1.43815218e-04 2.31790142e-04] [-2.31790142e-04 -1.43815218e-04 2.31790142e-04] [-2.31790142e-04 1.43815218e-04 2.31790142e-04] [ 2.31790142e-04 -1.43815218e-04 2.31790142e-04] [-2.31790142e-04 -1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 1.43815218e-04 -2.31790142e-04] [-2.31790142e-04 1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 -1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 1.43815218e-04 2.31790142e-04] [-2.31790142e-04 -1.43815218e-04 2.31790142e-04] [-2.31790142e-04 1.43815218e-04 2.31790142e-04] [ 2.31790142e-04 -1.43815218e-04 2.31790142e-04] [-2.31790142e-04 -1.43815218e-04 -2.31790142e-04] [ 2.31790142e-04 1.43815218e-04 -2.31790142e-04] [ 7.21089854e-14 1.20181642e-14 2.85327317e-14] [ 5.86032958e-14 2.14038547e-13 -7.30925423e-14] [-1.66533454e-14 -2.25672825e-04 -3.95053921e-05] [ 2.40606146e-14 2.25672825e-04 -3.95053922e-05] [-8.67118877e-14 -2.25672825e-04 3.95053923e-05] [ 1.48023954e-14 2.25672825e-04 3.95053924e-05] [-5.08909267e-04 7.88258347e-15 -5.08909267e-04] [-5.08909267e-04 1.28629746e-14 5.08909267e-04] [ 5.08909267e-04 -1.06789577e-13 -5.08909267e-04] [ 5.08909267e-04 -4.65790601e-14 5.08909267e-04] [-3.95053919e-05 -2.25672825e-04 -6.77236045e-14] [ 3.95053920e-05 -2.25672825e-04 2.63677968e-15] [-3.95053921e-05 2.25672825e-04 3.77128884e-14] [ 3.95053920e-05 2.25672825e-04 7.78196951e-15] [-1.84899838e-14 -2.25672825e-04 -3.95053922e-05] [ 7.61634679e-14 2.25672825e-04 -3.95053919e-05] [-5.12476346e-14 -2.25672825e-04 3.95053920e-05] [ 1.36089057e-15 2.25672825e-04 3.95053923e-05] [-5.08909267e-04 1.83309582e-14 -5.08909267e-04] [-5.08909267e-04 -6.71628551e-14 5.08909267e-04] [ 5.08909267e-04 1.47632340e-13 -5.08909267e-04] [ 5.08909267e-04 1.74485860e-13 5.08909267e-04] [-3.95053922e-05 -2.25672825e-04 4.57993982e-14] [ 3.95053922e-05 -2.25672825e-04 9.96111762e-15] [-3.95053922e-05 2.25672825e-04 -6.32298643e-14] [ 3.95053920e-05 2.25672825e-04 -1.01975720e-13]] Final stress: [-8.57955282e-06 2.67828656e-05 -8.57955282e-06 4.80480076e-16 -2.39408758e-16 1.14716696e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.31369837e-03 -3.03559261e-13 4.73080342e-13] [ 1.31369837e-03 2.07889261e-13 8.06577027e-13] [ 4.97497009e-14 -2.84297410e-04 6.32235583e-13] [ 1.55403468e-13 2.84297414e-04 2.36227704e-13] [ 4.83232378e-13 2.80020798e-13 -2.84297413e-04] [ 3.33205685e-13 -7.27196081e-15 2.84297412e-04] [-1.31369837e-03 5.47526434e-13 1.17716059e-13] [ 1.31369836e-03 2.62545194e-13 1.90280328e-13] [ 8.12643789e-13 -2.84297411e-04 -1.99223115e-13] [-2.78134720e-13 2.84297413e-04 -4.83140872e-13] [ 1.42254698e-13 7.38413269e-13 -2.84297412e-04] [-5.21404100e-13 4.33198266e-13 2.84297412e-04] [ 3.66376124e-04 2.20713117e-04 2.20713117e-04] [-3.66376124e-04 -2.20713118e-04 2.20713118e-04] [-3.66376124e-04 2.20713117e-04 -2.20713117e-04] [ 3.66376124e-04 -2.20713118e-04 -2.20713117e-04] [ 3.66376124e-04 2.20713117e-04 -2.20713117e-04] [-3.66376124e-04 -2.20713117e-04 -2.20713117e-04] [ 3.66376124e-04 -2.20713118e-04 2.20713117e-04] [-3.66376124e-04 2.20713117e-04 2.20713117e-04] [ 3.66376123e-04 2.20713117e-04 2.20713116e-04] [-3.66376124e-04 -2.20713117e-04 2.20713116e-04] [-3.66376126e-04 2.20713118e-04 -2.20713119e-04] [ 3.66376123e-04 -2.20713117e-04 -2.20713118e-04] [ 3.66376124e-04 2.20713118e-04 -2.20713119e-04] [-3.66376124e-04 -2.20713117e-04 -2.20713118e-04] [ 3.66376122e-04 -2.20713117e-04 2.20713117e-04] [-3.66376124e-04 2.20713118e-04 2.20713118e-04] [ 1.28183575e-12 -4.00351974e-12 2.47862841e-12] [-4.18814289e-14 -4.50494865e-13 -1.18246620e-13] [ 1.53055346e-12 2.08067056e-04 2.08067048e-04] [ 2.34677382e-12 -2.08067057e-04 2.08067048e-04] [ 2.65959477e-12 2.08067053e-04 -2.08067051e-04] [ 2.64807447e-12 -2.08067054e-04 -2.08067050e-04] [ 6.44972896e-06 -1.04594111e-12 4.72122262e-04] [ 6.44972437e-06 -2.10166606e-12 -4.72122264e-04] [-6.44972780e-06 -6.58686647e-13 4.72122262e-04] [-6.44972285e-06 1.48088486e-12 -4.72122265e-04] [ 6.44972514e-06 4.72122264e-04 -6.97886193e-13] [-6.44972491e-06 4.72122265e-04 -2.09514697e-12] [ 6.44972811e-06 -4.72122263e-04 -7.87496804e-13] [-6.44972650e-06 -4.72122264e-04 1.46916333e-12] [-1.35216924e-12 2.08067052e-04 2.08067053e-04] [ 8.37701002e-13 -2.08067051e-04 2.08067053e-04] [ 8.08074527e-13 2.08067055e-04 -2.08067051e-04] [-2.96116864e-13 -2.08067056e-04 -2.08067050e-04] [ 6.44972620e-06 -1.81969166e-12 4.72122264e-04] [ 6.44972811e-06 -1.73431365e-13 -4.72122263e-04] [-6.44972795e-06 -1.38776924e-12 4.72122261e-04] [-6.44972948e-06 -8.18357535e-13 -4.72122260e-04] [ 6.44972207e-06 4.72122267e-04 1.20937970e-12] [-6.44972403e-06 4.72122266e-04 2.02988055e-12] [ 6.44972350e-06 -4.72122266e-04 2.74573213e-12] [-6.44972709e-06 -4.72122263e-04 1.98670854e-12]] Final stress: [ 1.34180597e-05 -1.03725275e-05 -1.03725275e-05 1.33498777e-15 2.70987555e-16 2.01162540e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.52102674e-03 -2.69842482e-12 1.71008823e-12] [-2.52102673e-03 -1.51451074e-12 2.93848279e-13] [ 7.25425969e-12 3.09328358e-02 5.22926060e-12] [ 7.25255966e-12 -3.09328358e-02 3.13091220e-12] [ 8.07731876e-12 1.13894224e-12 -2.50024162e-02] [ 9.53598311e-12 -1.17167387e-12 2.50024162e-02] [ 2.52102673e-03 -5.11282770e-12 -3.81602056e-12] [-2.52102674e-03 -1.71887634e-12 -4.74463549e-13] [-3.16229942e-12 3.09328358e-02 -4.73636549e-12] [-4.41374888e-12 -3.09328358e-02 -2.34880291e-12] [ 7.25496052e-13 -2.52792796e-12 -2.50024162e-02] [-1.57970468e-12 -3.29144568e-12 2.50024162e-02] [-4.47517756e-04 3.32414622e-03 -3.65672842e-03] [ 4.47517756e-04 -3.32414622e-03 -3.65672842e-03] [ 4.47517757e-04 3.32414622e-03 3.65672842e-03] [-4.47517754e-04 -3.32414622e-03 3.65672842e-03] [-4.47517753e-04 3.32414622e-03 3.65672842e-03] [ 4.47517761e-04 -3.32414622e-03 3.65672841e-03] [-4.47517755e-04 -3.32414622e-03 -3.65672842e-03] [ 4.47517754e-04 3.32414622e-03 -3.65672842e-03] [-4.47517768e-04 3.32414623e-03 -3.65672842e-03] [ 4.47517751e-04 -3.32414623e-03 -3.65672843e-03] [ 4.47517753e-04 3.32414622e-03 3.65672842e-03] [-4.47517760e-04 -3.32414622e-03 3.65672842e-03] [-4.47517761e-04 3.32414622e-03 3.65672842e-03] [ 4.47517750e-04 -3.32414622e-03 3.65672841e-03] [-4.47517768e-04 -3.32414622e-03 -3.65672843e-03] [ 4.47517751e-04 3.32414622e-03 -3.65672842e-03] [ 9.15606480e-12 -9.47575352e-13 5.88612492e-12] [ 1.81813549e-12 1.42436713e-13 -6.86499710e-12] [ 7.29605265e-12 -4.70376602e-03 2.41923977e-03] [-2.42580088e-12 4.70376602e-03 2.41923977e-03] [-2.45916482e-12 -4.70376604e-03 -2.41923978e-03] [-8.90985376e-12 4.70376604e-03 -2.41923978e-03] [-2.30000801e-03 -1.01282316e-11 1.27010419e-03] [-2.30000803e-03 -3.43715854e-12 -1.27010420e-03] [ 2.30000801e-03 7.40999102e-12 1.27010418e-03] [ 2.30000802e-03 -8.17320343e-12 -1.27010417e-03] [ 1.43329207e-03 -2.15583602e-03 2.93765012e-13] [-1.43329207e-03 -2.15583603e-03 -6.35739725e-12] [ 1.43329207e-03 2.15583604e-03 -9.88778330e-12] [-1.43329207e-03 2.15583604e-03 -1.61379590e-13] [ 3.46356928e-12 -4.70376604e-03 2.41923979e-03] [ 6.19807591e-13 4.70376603e-03 2.41923978e-03] [-4.12475436e-12 -4.70376603e-03 -2.41923978e-03] [-1.10847833e-12 4.70376603e-03 -2.41923978e-03] [-2.30000802e-03 -4.62071638e-12 1.27010418e-03] [-2.30000801e-03 7.94460634e-13 -1.27010417e-03] [ 2.30000803e-03 -7.94803459e-13 1.27010419e-03] [ 2.30000801e-03 -1.18412099e-11 -1.27010418e-03] [ 1.43329209e-03 -2.15583605e-03 3.56764614e-12] [-1.43329206e-03 -2.15583602e-03 -1.40088773e-13] [ 1.43329208e-03 2.15583605e-03 -3.74153247e-12] [-1.43329209e-03 2.15583603e-03 6.86854436e-12]] Final stress: [ 1.61742390e-05 -2.28016273e-04 2.50069707e-04 -3.99007338e-16 8.42903002e-16 1.77890772e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.52109773e-03 -4.85611247e-12 1.00489886e-12] [-2.52109771e-03 -3.98558964e-12 1.10148002e-12] [ 1.10136813e-11 -2.50030439e-02 2.60667573e-12] [ 1.04216913e-11 2.50030439e-02 1.13262177e-12] [ 1.11369594e-11 -7.52312709e-12 3.09336712e-02] [ 9.58749746e-12 -5.66641178e-12 -3.09336712e-02] [ 2.52109770e-03 -2.81303193e-12 -3.90869108e-12] [-2.52109770e-03 -3.67827123e-12 -5.03583881e-12] [-3.02492233e-12 -2.50030439e-02 2.04562329e-12] [-1.97166762e-12 2.50030439e-02 -3.08046834e-12] [-1.91425304e-12 -3.57128855e-12 3.09336712e-02] [-2.17252388e-12 -4.70160712e-13 -3.09336712e-02] [-4.47535172e-04 -3.65684696e-03 3.32425902e-03] [ 4.47535180e-04 3.65684695e-03 3.32425901e-03] [ 4.47535179e-04 -3.65684696e-03 -3.32425902e-03] [-4.47535177e-04 3.65684696e-03 -3.32425902e-03] [-4.47535175e-04 -3.65684696e-03 -3.32425902e-03] [ 4.47535180e-04 3.65684696e-03 -3.32425902e-03] [-4.47535175e-04 3.65684695e-03 3.32425902e-03] [ 4.47535181e-04 -3.65684696e-03 3.32425901e-03] [-4.47535183e-04 -3.65684696e-03 3.32425901e-03] [ 4.47535173e-04 3.65684696e-03 3.32425901e-03] [ 4.47535168e-04 -3.65684696e-03 -3.32425902e-03] [-4.47535193e-04 3.65684696e-03 -3.32425902e-03] [-4.47535181e-04 -3.65684696e-03 -3.32425902e-03] [ 4.47535169e-04 3.65684696e-03 -3.32425902e-03] [-4.47535188e-04 3.65684696e-03 3.32425901e-03] [ 4.47535170e-04 -3.65684696e-03 3.32425901e-03] [ 8.38040748e-12 -8.11417600e-12 6.62989108e-12] [-6.56125067e-12 -2.66437346e-12 -5.15076745e-12] [-6.43918252e-12 2.42041761e-03 -4.70500818e-03] [-3.81404977e-12 -2.42041759e-03 -4.70500817e-03] [-2.18285112e-12 2.42041760e-03 4.70500818e-03] [ 5.07334973e-12 -2.42041757e-03 4.70500817e-03] [ 1.43386067e-03 -1.42819090e-11 -2.15650458e-03] [ 1.43386068e-03 6.60663364e-12 2.15650460e-03] [-1.43386067e-03 -1.86672362e-11 -2.15650459e-03] [-1.43386067e-03 -1.45355082e-12 2.15650461e-03] [-2.30053367e-03 1.27076660e-03 1.98105976e-11] [ 2.30053366e-03 1.27076659e-03 1.74474324e-11] [-2.30053365e-03 -1.27076658e-03 8.91166654e-12] [ 2.30053365e-03 -1.27076658e-03 -7.54598467e-12] [-8.53049836e-13 2.42041758e-03 -4.70500816e-03] [-6.42916796e-12 -2.42041760e-03 -4.70500819e-03] [-5.03660438e-12 2.42041759e-03 4.70500817e-03] [-1.24823069e-12 -2.42041755e-03 4.70500815e-03] [ 1.43386067e-03 -9.44565706e-12 -2.15650460e-03] [ 1.43386068e-03 -1.16509734e-11 2.15650461e-03] [-1.43386068e-03 -1.12902292e-11 -2.15650459e-03] [-1.43386066e-03 -1.10739152e-11 2.15650458e-03] [-2.30053364e-03 1.27076657e-03 -1.88956058e-13] [ 2.30053364e-03 1.27076658e-03 2.42631283e-12] [-2.30053365e-03 -1.27076656e-03 1.82506350e-12] [ 2.30053365e-03 -1.27076659e-03 1.42135435e-12]] Final stress: [ 1.61744061e-05 2.50073922e-04 -2.28020646e-04 2.11141383e-16 -1.72903180e-15 8.12977451e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.24249653e-04 -1.19607015e-13 4.64038964e-13] [-1.24249654e-04 -8.08797473e-14 5.54389867e-13] [-2.98949233e-14 -4.83459295e-04 8.07976082e-13] [ 7.57449659e-14 4.83459297e-04 3.66179309e-13] [ 3.94573263e-13 -1.87412585e-13 -4.83459297e-04] [ 1.54598556e-14 -1.99701367e-13 4.83459296e-04] [ 1.24249653e-04 4.45330838e-13 -6.06212929e-13] [-1.24249654e-04 4.50738839e-13 4.47311585e-13] [-3.00088079e-13 -4.83459295e-04 2.23955498e-13] [ 2.34816940e-13 4.83459296e-04 -3.39412840e-13] [-4.05496383e-13 2.33385643e-14 -4.83459295e-04] [-2.82157978e-13 2.45292667e-13 4.83459296e-04] [-2.82911117e-04 -7.92730328e-05 -7.92730339e-05] [ 2.82911118e-04 7.92730331e-05 -7.92730329e-05] [ 2.82911118e-04 -7.92730334e-05 7.92730340e-05] [-2.82911118e-04 7.92730334e-05 7.92730339e-05] [-2.82911118e-04 -7.92730336e-05 7.92730341e-05] [ 2.82911118e-04 7.92730337e-05 7.92730337e-05] [-2.82911117e-04 7.92730329e-05 -7.92730335e-05] [ 2.82911118e-04 -7.92730332e-05 -7.92730337e-05] [-2.82911117e-04 -7.92730327e-05 -7.92730346e-05] [ 2.82911117e-04 7.92730346e-05 -7.92730350e-05] [ 2.82911117e-04 -7.92730324e-05 7.92730326e-05] [-2.82911118e-04 7.92730343e-05 7.92730337e-05] [-2.82911117e-04 -7.92730331e-05 7.92730325e-05] [ 2.82911117e-04 7.92730333e-05 7.92730330e-05] [-2.82911118e-04 7.92730341e-05 -7.92730347e-05] [ 2.82911118e-04 -7.92730330e-05 -7.92730340e-05] [ 1.15443766e-12 -2.75640621e-12 1.23945298e-12] [ 7.70807897e-13 -5.51124458e-13 -3.04465556e-13] [-3.60822483e-13 4.18544098e-05 4.18544018e-05] [ 1.73360978e-12 -4.18544095e-05 4.18544038e-05] [ 4.10073017e-13 4.18544065e-05 -4.18544036e-05] [-4.59934174e-13 -4.18544038e-05 -4.18544078e-05] [-3.82697567e-05 -2.07722728e-13 -1.12744033e-04] [-3.82697608e-05 1.50602621e-12 1.12744030e-04] [ 3.82697561e-05 -1.30104608e-12 -1.12744034e-04] [ 3.82697611e-05 -2.18122395e-13 1.12744030e-04] [-3.82697559e-05 -1.12744036e-04 2.63344901e-13] [ 3.82697559e-05 -1.12744036e-04 -2.13410019e-12] [-3.82697525e-05 1.12744037e-04 -1.25692165e-12] [ 3.82697542e-05 1.12744036e-04 -2.61743752e-12] [ 5.93961078e-13 4.18544003e-05 4.18544109e-05] [ 5.86263243e-13 -4.18544022e-05 4.18544083e-05] [-1.14186872e-13 4.18544059e-05 -4.18544055e-05] [-1.67178337e-13 -4.18544053e-05 -4.18544065e-05] [-3.82697574e-05 -1.36619002e-12 -1.12744033e-04] [-3.82697523e-05 -9.34654481e-13 1.12744036e-04] [ 3.82697556e-05 -2.45421392e-12 -1.12744035e-04] [ 3.82697527e-05 -1.46516957e-12 1.12744037e-04] [-3.82697588e-05 -1.12744032e-04 3.21560893e-12] [ 3.82697574e-05 -1.12744033e-04 1.41859992e-12] [-3.82697585e-05 1.12744032e-04 1.73088227e-12] [ 3.82697591e-05 1.12744030e-04 1.60979736e-12]] Final stress: [-1.67652135e-05 5.23315145e-06 5.23315145e-06 1.15381721e-15 -4.20627887e-16 -7.16563712e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.86809029e-05 -1.73035197e-13 -1.74869234e-13] [ 2.86809029e-05 -1.89709359e-13 -2.73198131e-13] [ 1.63122120e-13 4.22133750e-04 -8.28121494e-05] [ 1.49241730e-13 -4.22133749e-04 8.28121494e-05] [ 8.13108261e-15 -8.27896600e-05 -2.82990677e-05] [-2.60513833e-13 8.27896601e-05 2.82990664e-05] [-2.86809037e-05 4.41569958e-13 1.20805777e-13] [ 2.86809033e-05 -3.29204979e-13 -5.04743014e-13] [-2.00220916e-13 4.22133749e-04 -8.28121492e-05] [ 2.02547180e-13 -4.22133749e-04 8.28121497e-05] [-2.70259943e-13 -8.27896602e-05 -2.82990657e-05] [-9.04254970e-14 8.27896601e-05 2.82990669e-05] [ 4.15599905e-04 -6.52977010e-05 1.21072444e-04] [ 1.32622832e-04 2.47117939e-05 1.62251511e-04] [ 1.32622832e-04 -2.47117947e-05 -1.62251511e-04] [ 4.15599904e-04 6.52977015e-05 -1.21072444e-04] [-1.32622832e-04 -2.47117942e-05 -1.62251511e-04] [-4.15599904e-04 6.52977016e-05 -1.21072445e-04] [-1.32622831e-04 2.47117947e-05 1.62251511e-04] [-4.15599904e-04 -6.52977017e-05 1.21072443e-04] [ 4.15599905e-04 -6.52977007e-05 1.21072443e-04] [ 1.32622832e-04 2.47117946e-05 1.62251511e-04] [ 1.32622832e-04 -2.47117936e-05 -1.62251511e-04] [ 4.15599904e-04 6.52977019e-05 -1.21072443e-04] [-1.32622832e-04 -2.47117935e-05 -1.62251511e-04] [-4.15599905e-04 6.52977014e-05 -1.21072444e-04] [-1.32622832e-04 2.47117946e-05 1.62251510e-04] [-4.15599904e-04 -6.52977015e-05 1.21072444e-04] [-7.13040738e-14 -1.28067001e-12 5.88917803e-13] [-6.80712431e-13 -1.92788083e-14 -5.06473457e-14] [-1.13553611e-12 3.80997398e-04 4.26386520e-04] [ 5.63760844e-13 3.00976006e-04 -2.55475176e-04] [ 6.70671851e-13 -3.00976008e-04 2.55475175e-04] [ 8.23169657e-13 -3.80997397e-04 -4.26386522e-04] [ 2.22531320e-04 3.79838859e-04 2.22662165e-04] [ 2.22531317e-04 -3.79838859e-04 -2.22662168e-04] [-2.22531318e-04 3.79838859e-04 2.22662166e-04] [-2.22531317e-04 -3.79838860e-04 -2.22662168e-04] [ 8.53159005e-05 4.00013715e-05 3.79218572e-04] [-8.53159013e-05 4.00013708e-05 3.79218571e-04] [ 8.53159008e-05 -4.00013715e-05 -3.79218571e-04] [-8.53159018e-05 -4.00013706e-05 -3.79218573e-04] [ 6.50540385e-13 3.80997394e-04 4.26386525e-04] [ 1.79257650e-13 3.00976010e-04 -2.55475173e-04] [-3.09596099e-14 -3.00976009e-04 2.55475175e-04] [ 2.20070490e-13 -3.80997394e-04 -4.26386524e-04] [ 2.22531320e-04 3.79838859e-04 2.22662164e-04] [ 2.22531322e-04 -3.79838861e-04 -2.22662163e-04] [-2.22531321e-04 3.79838859e-04 2.22662165e-04] [-2.22531320e-04 -3.79838859e-04 -2.22662165e-04] [ 8.53158974e-05 4.00013748e-05 3.79218573e-04] [-8.53158993e-05 4.00013735e-05 3.79218573e-04] [ 8.53158988e-05 -4.00013745e-05 -3.79218571e-04] [-8.53158993e-05 -4.00013741e-05 -3.79218569e-04]] Final stress: [ 5.43102117e-06 -1.52808882e-05 5.43517409e-06 3.29798934e-06 4.25603956e-16 -1.23026144e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.72297624e-05 1.89652547e-13 5.64456034e-13] [ 2.72297618e-05 2.02060590e-13 -1.85601534e-13] [ 1.91233314e-13 4.22564583e-04 8.31810622e-05] [ 1.31283873e-13 -4.22564583e-04 -8.31810619e-05] [ 1.86191774e-13 8.31574405e-05 -2.68479680e-05] [ 1.38944412e-13 -8.31574411e-05 2.68479666e-05] [-2.72297616e-05 6.13347047e-13 -5.69738336e-13] [ 2.72297622e-05 -7.24858541e-14 -1.80375464e-13] [-2.62652313e-13 4.22564582e-04 8.31810620e-05] [-2.17306208e-13 -4.22564582e-04 -8.31810618e-05] [-1.92168330e-14 8.31574406e-05 -2.68479680e-05] [-4.81033182e-13 -8.31574403e-05 2.68479670e-05] [-1.32904250e-04 -2.56198439e-05 1.61529739e-04] [-4.15675434e-04 6.49685598e-05 1.21587764e-04] [-4.15675434e-04 -6.49685602e-05 -1.21587764e-04] [-1.32904250e-04 2.56198443e-05 -1.61529739e-04] [ 4.15675435e-04 -6.49685595e-05 -1.21587764e-04] [ 1.32904250e-04 2.56198446e-05 -1.61529738e-04] [ 4.15675435e-04 6.49685596e-05 1.21587764e-04] [ 1.32904251e-04 -2.56198444e-05 1.61529739e-04] [-1.32904251e-04 -2.56198445e-05 1.61529739e-04] [-4.15675434e-04 6.49685603e-05 1.21587764e-04] [-4.15675435e-04 -6.49685589e-05 -1.21587764e-04] [-1.32904250e-04 2.56198442e-05 -1.61529739e-04] [ 4.15675434e-04 -6.49685601e-05 -1.21587764e-04] [ 1.32904250e-04 2.56198441e-05 -1.61529739e-04] [ 4.15675434e-04 6.49685604e-05 1.21587764e-04] [ 1.32904250e-04 -2.56198443e-05 1.61529738e-04] [ 1.17322818e-12 -3.94489996e-13 1.45056189e-12] [-1.11024731e-12 -2.59904768e-13 7.41938465e-13] [ 1.68420833e-13 -3.01002503e-04 -2.57195185e-04] [ 5.97619176e-13 -3.82264174e-04 4.25957014e-04] [-6.72902706e-13 3.82264172e-04 -4.25957016e-04] [-2.13742218e-13 3.01002505e-04 2.57195185e-04] [ 2.22405992e-04 -3.78256767e-04 2.22537036e-04] [ 2.22405992e-04 3.78256766e-04 -2.22537035e-04] [-2.22405994e-04 -3.78256767e-04 2.22537033e-04] [-2.22405992e-04 3.78256766e-04 -2.22537035e-04] [ 8.42410142e-05 4.06215838e-05 -3.77636409e-04] [-8.42410145e-05 4.06215825e-05 -3.77636407e-04] [ 8.42410150e-05 -4.06215834e-05 3.77636407e-04] [-8.42410157e-05 -4.06215827e-05 3.77636408e-04] [ 1.62292922e-13 -3.01002504e-04 -2.57195185e-04] [-7.28119821e-14 -3.82264173e-04 4.25957015e-04] [ 1.37131712e-12 3.82264174e-04 -4.25957015e-04] [ 2.10408514e-12 3.01002503e-04 2.57195185e-04] [ 2.22405992e-04 -3.78256767e-04 2.22537035e-04] [ 2.22405992e-04 3.78256766e-04 -2.22537035e-04] [-2.22405992e-04 -3.78256767e-04 2.22537036e-04] [-2.22405993e-04 3.78256767e-04 -2.22537034e-04] [ 8.42410149e-05 4.06215824e-05 -3.77636406e-04] [-8.42410147e-05 4.06215837e-05 -3.77636407e-04] [ 8.42410161e-05 -4.06215812e-05 3.77636409e-04] [-8.42410153e-05 -4.06215824e-05 3.77636408e-04]] Final stress: [ 5.43597969e-06 -1.52777120e-05 5.44013841e-06 -3.29301699e-06 8.94433315e-16 4.55529235e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.24720396e-05 1.86837958e-13 2.32197508e-13] [-2.24720413e-05 4.82336393e-13 3.89688282e-14] [-4.45251475e-14 -4.31221348e-04 -5.48182905e-05] [ 3.28348460e-14 4.31221349e-04 5.48182905e-05] [ 3.28752650e-13 -5.48022747e-05 2.28496649e-05] [ 3.11778381e-13 5.48022748e-05 -2.28496655e-05] [ 2.24720401e-05 -1.26842113e-13 1.75156424e-13] [-2.24720399e-05 9.57281129e-14 8.03639063e-15] [-2.36006527e-13 -4.31221347e-04 -5.48182904e-05] [ 1.23241695e-13 4.31221348e-04 5.48182907e-05] [ 9.61513855e-14 -5.48022746e-05 2.28496645e-05] [-5.11621995e-13 5.48022745e-05 -2.28496650e-05] [ 1.33691204e-04 1.92093342e-06 -1.83373049e-04] [ 4.36583968e-04 -6.66668205e-05 -1.19162040e-04] [ 4.36583968e-04 6.66668211e-05 1.19162039e-04] [ 1.33691204e-04 -1.92093223e-06 1.83373049e-04] [-4.36583967e-04 6.66668214e-05 1.19162039e-04] [-1.33691204e-04 -1.92093202e-06 1.83373049e-04] [-4.36583967e-04 -6.66668209e-05 -1.19162040e-04] [-1.33691204e-04 1.92093311e-06 -1.83373049e-04] [ 1.33691204e-04 1.92093152e-06 -1.83373050e-04] [ 4.36583967e-04 -6.66668210e-05 -1.19162039e-04] [ 4.36583967e-04 6.66668220e-05 1.19162039e-04] [ 1.33691204e-04 -1.92093260e-06 1.83373049e-04] [-4.36583968e-04 6.66668204e-05 1.19162040e-04] [-1.33691204e-04 -1.92093279e-06 1.83373048e-04] [-4.36583968e-04 -6.66668203e-05 -1.19162039e-04] [-1.33691204e-04 1.92093208e-06 -1.83373049e-04] [ 1.67460490e-12 7.66331443e-14 1.24036892e-12] [-3.75654802e-13 -1.13492444e-12 3.08554888e-13] [-1.99062988e-13 2.75858096e-04 2.32668448e-04] [-4.55803797e-13 3.82959552e-04 -4.26229211e-04] [-9.34832073e-13 -3.82959553e-04 4.26229211e-04] [ 1.19574489e-13 -2.75858095e-04 -2.32668448e-04] [-2.32114038e-04 3.92745200e-04 -2.31990016e-04] [-2.32114037e-04 -3.92745201e-04 2.31990016e-04] [ 2.32114036e-04 3.92745199e-04 -2.31990018e-04] [ 2.32114037e-04 -3.92745202e-04 2.31990017e-04] [-9.69130173e-05 -5.35591851e-05 3.93336951e-04] [ 9.69130171e-05 -5.35591863e-05 3.93336952e-04] [-9.69130180e-05 5.35591845e-05 -3.93336952e-04] [ 9.69130174e-05 5.35591854e-05 -3.93336951e-04] [ 4.89568455e-13 2.75858093e-04 2.32668450e-04] [ 5.76613410e-14 3.82959558e-04 -4.26229206e-04] [ 8.73063774e-13 -3.82959556e-04 4.26229208e-04] [ 1.10251955e-12 -2.75858093e-04 -2.32668451e-04] [-2.32114033e-04 3.92745199e-04 -2.31990020e-04] [-2.32114033e-04 -3.92745200e-04 2.31990020e-04] [ 2.32114033e-04 3.92745199e-04 -2.31990019e-04] [ 2.32114033e-04 -3.92745200e-04 2.31990020e-04] [-9.69130218e-05 -5.35591818e-05 3.93336952e-04] [ 9.69130225e-05 -5.35591810e-05 3.93336953e-04] [-9.69130203e-05 5.35591831e-05 -3.93336951e-04] [ 9.69130217e-05 5.35591805e-05 -3.93336953e-04]] Final stress: [-5.30505407e-06 1.52192401e-05 -5.30109207e-06 3.61481033e-06 8.84474310e-16 -7.49808109e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.20689935e-05 -9.34621304e-14 9.63786342e-14] [-4.20689953e-05 -1.49880108e-13 -1.93567384e-13] [-3.15076090e-13 -4.23909961e-04 4.90394520e-05] [ 2.25292007e-13 4.23909961e-04 -4.90394520e-05] [-1.01239329e-13 4.90081767e-05 4.24474932e-05] [ 1.23984156e-13 -4.90081762e-05 -4.24474949e-05] [ 4.20689952e-05 3.73958677e-14 1.20096441e-13] [-4.20689936e-05 1.96748867e-13 -2.96065692e-13] [-2.43314049e-13 -4.23909959e-04 4.90394520e-05] [-1.82247446e-13 4.23909961e-04 -4.90394524e-05] [ 7.42374912e-15 4.90081765e-05 4.24474949e-05] [-9.82196095e-14 -4.90081762e-05 -4.24474935e-05] [-4.36550258e-04 7.09122930e-05 -1.12621422e-04] [-1.30910362e-04 9.65107268e-06 -1.92653427e-04] [-1.30910361e-04 -9.65107322e-06 1.92653427e-04] [-4.36550259e-04 -7.09122923e-05 1.12621422e-04] [ 1.30910361e-04 -9.65107257e-06 1.92653427e-04] [ 4.36550259e-04 -7.09122916e-05 1.12621423e-04] [ 1.30910361e-04 9.65107242e-06 -1.92653426e-04] [ 4.36550259e-04 7.09122921e-05 -1.12621422e-04] [-4.36550260e-04 7.09122922e-05 -1.12621424e-04] [-1.30910361e-04 9.65107298e-06 -1.92653426e-04] [-1.30910362e-04 -9.65107241e-06 1.92653426e-04] [-4.36550258e-04 -7.09122921e-05 1.12621423e-04] [ 1.30910361e-04 -9.65107293e-06 1.92653426e-04] [ 4.36550258e-04 -7.09122926e-05 1.12621422e-04] [ 1.30910362e-04 9.65107352e-06 -1.92653427e-04] [ 4.36550259e-04 7.09122920e-05 -1.12621421e-04] [ 1.78443371e-12 1.10439435e-13 9.22789622e-13] [-1.50326323e-12 -2.37872630e-13 -7.28846600e-13] [-4.04010159e-13 -3.66513617e-04 -4.32755035e-04] [-5.04651876e-13 -2.76270718e-04 2.10073834e-04] [ 1.49030094e-13 2.76270717e-04 -2.10073835e-04] [-7.21849663e-13 3.66513619e-04 4.32755033e-04] [-2.34006500e-04 -4.12314625e-04 -2.33884703e-04] [-2.34006502e-04 4.12314622e-04 2.33884702e-04] [ 2.34006499e-04 -4.12314624e-04 -2.33884705e-04] [ 2.34006502e-04 4.12314622e-04 2.33884702e-04] [-1.11471991e-04 -4.51308870e-05 -4.12904906e-04] [ 1.11471990e-04 -4.51308877e-05 -4.12904906e-04] [-1.11471991e-04 4.51308869e-05 4.12904905e-04] [ 1.11471990e-04 4.51308881e-05 4.12904905e-04] [ 2.42406355e-13 -3.66513622e-04 -4.32755030e-04] [ 5.69700537e-14 -2.76270714e-04 2.10073838e-04] [ 1.14267927e-12 2.76270717e-04 -2.10073835e-04] [ 1.33190420e-12 3.66513620e-04 4.32755032e-04] [-2.34006498e-04 -4.12314623e-04 -2.33884705e-04] [-2.34006497e-04 4.12314622e-04 2.33884705e-04] [ 2.34006499e-04 -4.12314623e-04 -2.33884704e-04] [ 2.34006498e-04 4.12314622e-04 2.33884705e-04] [-1.11471993e-04 -4.51308851e-05 -4.12904904e-04] [ 1.11471994e-04 -4.51308840e-05 -4.12904905e-04] [-1.11471993e-04 4.51308853e-05 4.12904907e-04] [ 1.11471993e-04 4.51308851e-05 4.12904907e-04]] Final stress: [-5.23755651e-06 1.52595840e-05 -5.23364612e-06 -3.68898003e-06 8.94449585e-16 -1.15879435e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.92496053e-05 6.45898265e-14 -8.59191213e-05] [ 2.92496037e-05 2.93265412e-13 8.59191216e-05] [ 1.43840669e-13 4.21362869e-04 4.33486146e-13] [-1.24428245e-13 -4.21362867e-04 -5.98410210e-14] [-8.59191217e-05 -1.03732994e-13 -2.92496045e-05] [ 8.59191214e-05 -2.41473508e-13 2.92496039e-05] [-2.92496036e-05 -5.05520105e-14 -8.59191219e-05] [ 2.92496052e-05 1.31276066e-13 8.59191216e-05] [-1.97775823e-14 4.21362868e-04 -3.66962611e-13] [ 4.64090572e-14 -4.21362868e-04 -2.39532384e-13] [-8.59191216e-05 1.40760443e-15 -2.92496041e-05] [ 8.59191212e-05 6.77311525e-14 2.92496039e-05] [ 1.21754804e-04 2.27615633e-04 1.21754804e-04] [-1.61770997e-04 3.17541876e-04 1.61770997e-04] [-1.21754803e-04 2.27615633e-04 -1.21754803e-04] [ 1.61770998e-04 3.17541875e-04 -1.61770998e-04] [ 1.61770997e-04 -3.17541875e-04 -1.61770998e-04] [-1.21754804e-04 -2.27615633e-04 -1.21754803e-04] [ 1.21754804e-04 -2.27615634e-04 1.21754804e-04] [-1.61770997e-04 -3.17541875e-04 1.61770997e-04] [ 1.21754804e-04 2.27615633e-04 1.21754803e-04] [-1.61770998e-04 3.17541875e-04 1.61770997e-04] [-1.21754804e-04 2.27615634e-04 -1.21754804e-04] [ 1.61770997e-04 3.17541875e-04 -1.61770997e-04] [ 1.61770998e-04 -3.17541876e-04 -1.61770997e-04] [-1.21754804e-04 -2.27615633e-04 -1.21754804e-04] [ 1.21754803e-04 -2.27615633e-04 1.21754803e-04] [-1.61770998e-04 -3.17541874e-04 1.61770998e-04] [ 1.48592250e-12 -1.16792687e-12 3.77503584e-13] [-1.90380350e-12 9.88378252e-14 1.87421839e-13] [ 3.79423276e-04 4.06950680e-05 8.53162260e-05] [ 3.79423278e-04 -4.06950671e-05 8.53162275e-05] [-3.79423280e-04 4.06950665e-05 -8.53162271e-05] [-3.79423279e-04 -4.06950632e-05 -8.53162306e-05] [ 5.63441587e-04 1.83408844e-13 5.63441590e-04] [-1.17587635e-04 6.14700998e-13 1.17587631e-04] [ 1.17587632e-04 -1.75246970e-13 -1.17587633e-04] [-5.63441588e-04 1.26534200e-13 -5.63441589e-04] [ 8.53162277e-05 4.06950655e-05 3.79423279e-04] [-8.53162293e-05 4.06950633e-05 -3.79423278e-04] [ 8.53162280e-05 -4.06950659e-05 3.79423278e-04] [-8.53162299e-05 -4.06950634e-05 -3.79423278e-04] [ 3.79423279e-04 4.06950647e-05 8.53162294e-05] [ 3.79423279e-04 -4.06950650e-05 8.53162290e-05] [-3.79423277e-04 4.06950652e-05 -8.53162286e-05] [-3.79423277e-04 -4.06950644e-05 -8.53162303e-05] [ 5.63441589e-04 -1.58981708e-12 5.63441588e-04] [-1.17587630e-04 -2.78362403e-13 1.17587635e-04] [ 1.17587634e-04 -1.38260584e-12 -1.17587632e-04] [-5.63441589e-04 -3.68617897e-13 -5.63441589e-04] [ 8.53162294e-05 4.06950644e-05 3.79423280e-04] [-8.53162272e-05 4.06950663e-05 -3.79423277e-04] [ 8.53162276e-05 -4.06950656e-05 3.79423278e-04] [-8.53162254e-05 -4.06950682e-05 -3.79423277e-04]] Final stress: [ 5.42846432e-06 -1.52945592e-05 5.42846432e-06 6.84956367e-16 3.28019710e-06 5.48630100e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.93590741e-05 -1.10592525e-13 8.67285349e-05] [ 2.93590741e-05 -1.65423231e-14 -8.67285345e-05] [ 1.78910706e-13 4.22261854e-04 1.91384669e-13] [ 1.06498144e-13 -4.22261853e-04 -9.90596494e-14] [ 8.67285349e-05 -2.04879516e-14 -2.93590757e-05] [-8.67285342e-05 5.80369086e-14 2.93590727e-05] [-2.93590747e-05 1.95629103e-14 8.67285345e-05] [ 2.93590741e-05 -1.19011571e-13 -8.67285347e-05] [-1.92842270e-13 4.22261853e-04 -2.12394443e-13] [ 8.07800007e-14 -4.22261853e-04 -4.74464717e-14] [ 8.67285343e-05 3.10510073e-13 -2.93590741e-05] [-8.67285350e-05 -6.08215682e-14 2.93590739e-05] [ 1.61532693e-04 -3.17653555e-04 1.61532693e-04] [-1.22200907e-04 -2.27208739e-04 1.22200907e-04] [-1.61532693e-04 -3.17653555e-04 -1.61532693e-04] [ 1.22200907e-04 -2.27208739e-04 -1.22200907e-04] [ 1.22200907e-04 2.27208739e-04 -1.22200907e-04] [-1.61532693e-04 3.17653555e-04 -1.61532693e-04] [ 1.61532693e-04 3.17653554e-04 1.61532693e-04] [-1.22200906e-04 2.27208739e-04 1.22200907e-04] [ 1.61532693e-04 -3.17653555e-04 1.61532692e-04] [-1.22200906e-04 -2.27208739e-04 1.22200906e-04] [-1.61532694e-04 -3.17653553e-04 -1.61532693e-04] [ 1.22200906e-04 -2.27208739e-04 -1.22200907e-04] [ 1.22200906e-04 2.27208740e-04 -1.22200907e-04] [-1.61532693e-04 3.17653554e-04 -1.61532693e-04] [ 1.61532692e-04 3.17653555e-04 1.61532693e-04] [-1.22200906e-04 2.27208739e-04 1.22200906e-04] [ 1.02434727e-12 -7.97417687e-13 2.84328117e-12] [-2.05582513e-13 7.67744577e-14 5.33327526e-13] [-3.79220794e-04 5.02638558e-05 7.62860787e-05] [-3.79220793e-04 -5.02638551e-05 7.62860790e-05] [ 3.79220792e-04 5.02638531e-05 -7.62860796e-05] [ 3.79220794e-04 -5.02638528e-05 -7.62860802e-05] [-1.18404727e-04 1.97508676e-13 -1.18404732e-04] [ 5.63247248e-04 -1.80633286e-13 -5.63247247e-04] [-5.63247251e-04 -3.17645216e-13 5.63247244e-04] [ 1.18404729e-04 -4.02546052e-13 1.18404731e-04] [ 7.62860771e-05 5.02638566e-05 -3.79220794e-04] [-7.62860772e-05 5.02638554e-05 3.79220792e-04] [ 7.62860776e-05 -5.02638563e-05 -3.79220793e-04] [-7.62860768e-05 -5.02638563e-05 3.79220793e-04] [-3.79220794e-04 5.02638562e-05 7.62860771e-05] [-3.79220793e-04 -5.02638561e-05 7.62860774e-05] [ 3.79220793e-04 5.02638577e-05 -7.62860755e-05] [ 3.79220793e-04 -5.02638572e-05 -7.62860757e-05] [-1.18404731e-04 -1.45475213e-13 -1.18404728e-04] [ 5.63247248e-04 -1.41928136e-13 -5.63247247e-04] [-5.63247246e-04 -8.87406468e-14 5.63247249e-04] [ 1.18404731e-04 -1.98963675e-13 1.18404728e-04] [ 7.62860799e-05 5.02638532e-05 -3.79220792e-04] [-7.62860800e-05 5.02638538e-05 3.79220794e-04] [ 7.62860802e-05 -5.02638528e-05 -3.79220791e-04] [-7.62860796e-05 -5.02638548e-05 3.79220794e-04]] Final stress: [ 5.44520419e-06 -1.53294055e-05 5.44520419e-06 9.79221603e-16 -3.27218480e-06 -5.51955131e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.06817889e-05 1.17767775e-13 -1.68911594e-04] [-3.06817900e-05 1.25344179e-13 1.68911594e-04] [ 2.19810715e-13 -4.31093959e-04 2.52900999e-14] [ 1.31894495e-13 4.31093960e-04 3.38618023e-15] [-1.68911594e-04 -4.51591889e-14 3.06817887e-05] [ 1.68911594e-04 -1.43163259e-13 -3.06817898e-05] [ 3.06817894e-05 5.41576332e-14 -1.68911594e-04] [-3.06817884e-05 -2.92045034e-14 1.68911594e-04] [ 1.32195904e-13 -4.31093958e-04 -1.74252625e-13] [-2.55996613e-13 4.31093959e-04 -2.34449733e-14] [-1.68911594e-04 1.54125625e-13 3.06817889e-05] [ 1.68911594e-04 5.66201150e-14 -3.06817893e-05] [-1.50800282e-04 2.54323641e-04 -1.50800282e-04] [ 1.57118826e-04 1.86508108e-04 -1.57118826e-04] [ 1.50800283e-04 2.54323641e-04 1.50800282e-04] [-1.57118825e-04 1.86508108e-04 1.57118825e-04] [-1.57118825e-04 -1.86508108e-04 1.57118825e-04] [ 1.50800283e-04 -2.54323641e-04 1.50800283e-04] [-1.50800282e-04 -2.54323641e-04 -1.50800282e-04] [ 1.57118826e-04 -1.86508109e-04 -1.57118826e-04] [-1.50800283e-04 2.54323641e-04 -1.50800283e-04] [ 1.57118825e-04 1.86508109e-04 -1.57118825e-04] [ 1.50800282e-04 2.54323642e-04 1.50800282e-04] [-1.57118826e-04 1.86508109e-04 1.57118825e-04] [-1.57118825e-04 -1.86508109e-04 1.57118825e-04] [ 1.50800282e-04 -2.54323641e-04 1.50800282e-04] [-1.50800283e-04 -2.54323641e-04 -1.50800283e-04] [ 1.57118825e-04 -1.86508108e-04 -1.57118825e-04] [ 1.36407552e-12 -8.89927021e-13 1.36129996e-12] [-1.29920163e-12 -1.57378477e-13 1.95536310e-13] [ 3.63297389e-04 -1.93998893e-04 1.60070103e-05] [ 3.63297389e-04 1.93998893e-04 1.60070107e-05] [-3.63297392e-04 -1.93998895e-04 -1.60070114e-05] [-3.63297392e-04 1.93998896e-04 -1.60070124e-05] [ 1.08054895e-04 -3.52384788e-13 1.08054892e-04] [-5.82832453e-04 5.74193471e-16 5.82832453e-04] [ 5.82832448e-04 1.53632315e-13 -5.82832457e-04] [-1.08054895e-04 4.24205809e-13 -1.08054890e-04] [ 1.60070063e-05 -1.93998889e-04 3.63297390e-04] [-1.60070087e-05 -1.93998892e-04 -3.63297390e-04] [ 1.60070090e-05 1.93998891e-04 3.63297390e-04] [-1.60070095e-05 1.93998893e-04 -3.63297391e-04] [ 3.63297391e-04 -1.93998892e-04 1.60070091e-05] [ 3.63297392e-04 1.93998891e-04 1.60070075e-05] [-3.63297390e-04 -1.93998891e-04 -1.60070076e-05] [-3.63297389e-04 1.93998890e-04 -1.60070066e-05] [ 1.08054893e-04 -1.84617653e-13 1.08054894e-04] [-5.82832452e-04 -6.53088694e-14 5.82832453e-04] [ 5.82832456e-04 -1.29065335e-12 -5.82832449e-04] [-1.08054892e-04 -3.66448625e-13 -1.08054895e-04] [ 1.60070130e-05 -1.93998897e-04 3.63297392e-04] [-1.60070104e-05 -1.93998893e-04 -3.63297390e-04] [ 1.60070125e-05 1.93998895e-04 3.63297391e-04] [-1.60070102e-05 1.93998893e-04 -3.63297390e-04]] Final stress: [-5.23685692e-06 1.58776511e-05 -5.23685691e-06 -5.32014623e-17 2.40318005e-06 4.90450980e-16] Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.15171776e-05 -8.44385849e-05 -6.52772107e-14] [ 2.15171761e-05 8.44385842e-05 4.32986980e-15] [-8.44663043e-05 4.24161877e-04 1.67669698e-13] [ 8.44663046e-05 -4.24161877e-04 2.12191376e-13] [ 2.93887744e-13 -2.38414757e-13 -2.18988225e-05] [-5.88418203e-15 -1.22180044e-13 2.18988217e-05] [-2.15171757e-05 -8.44385846e-05 -2.56289434e-13] [ 2.15171776e-05 8.44385840e-05 8.26117923e-14] [-8.44663044e-05 4.24161877e-04 -6.02565106e-14] [ 8.44663044e-05 -4.24161877e-04 -1.34863465e-13] [-1.57385823e-13 7.83924563e-14 -2.18988228e-05] [-1.47713005e-13 -1.93884047e-13 2.18988218e-05] [ 1.23460053e-04 -6.37845120e-05 4.15992285e-04] [-1.23460053e-04 6.37845129e-05 4.15992285e-04] [-1.58896679e-04 -2.89413650e-05 1.33979829e-04] [ 1.58896680e-04 2.89413648e-05 1.33979829e-04] [ 1.23460054e-04 -6.37845123e-05 -4.15992285e-04] [-1.23460053e-04 6.37845125e-05 -4.15992284e-04] [ 1.58896680e-04 2.89413648e-05 -1.33979829e-04] [-1.58896680e-04 -2.89413651e-05 -1.33979830e-04] [ 1.23460054e-04 -6.37845120e-05 4.15992284e-04] [-1.23460053e-04 6.37845126e-05 4.15992284e-04] [-1.58896680e-04 -2.89413641e-05 1.33979829e-04] [ 1.58896679e-04 2.89413651e-05 1.33979829e-04] [ 1.23460053e-04 -6.37845131e-05 -4.15992285e-04] [-1.23460054e-04 6.37845123e-05 -4.15992285e-04] [ 1.58896680e-04 2.89413653e-05 -1.33979830e-04] [-1.58896680e-04 -2.89413642e-05 -1.33979830e-04] [ 1.16784360e-12 -7.11042336e-13 9.13574771e-13] [-1.47923470e-12 9.28365734e-14 7.42254936e-15] [ 3.71838969e-04 4.30225091e-05 8.01628729e-05] [-3.71838972e-04 -4.30225096e-05 8.01628730e-05] [ 3.71838970e-04 4.30225091e-05 -8.01628729e-05] [-3.71838971e-04 -4.30225085e-05 -8.01628733e-05] [ 2.22059704e-04 3.72459535e-04 2.21927960e-04] [ 2.22059702e-04 3.72459535e-04 -2.21927961e-04] [-2.22059705e-04 -3.72459535e-04 2.21927959e-04] [-2.22059704e-04 -3.72459535e-04 -2.21927960e-04] [ 4.24238814e-04 3.87029461e-04 7.13873405e-13] [ 2.63632355e-04 -3.00966426e-04 9.24919863e-14] [-2.63632356e-04 3.00966424e-04 4.54381324e-13] [-4.24238817e-04 -3.87029458e-04 -2.92673871e-13] [ 3.71838973e-04 4.30225072e-05 8.01628747e-05] [-3.71838970e-04 -4.30225077e-05 8.01628742e-05] [ 3.71838972e-04 4.30225081e-05 -8.01628737e-05] [-3.71838970e-04 -4.30225076e-05 -8.01628737e-05] [ 2.22059705e-04 3.72459535e-04 2.21927958e-04] [ 2.22059706e-04 3.72459534e-04 -2.21927956e-04] [-2.22059704e-04 -3.72459535e-04 2.21927960e-04] [-2.22059704e-04 -3.72459535e-04 -2.21927961e-04] [ 4.24238814e-04 3.87029461e-04 8.73418821e-13] [ 2.63632356e-04 -3.00966423e-04 1.09109950e-12] [-2.63632355e-04 3.00966424e-04 -2.30545641e-13] [-4.24238813e-04 -3.87029461e-04 5.37062148e-13]] Final stress: [ 5.45876268e-06 -1.52661954e-05 5.45458219e-06 1.23026144e-16 -3.89028616e-16 3.27549616e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.25949203e-05 8.42359455e-05 -3.01763822e-13] [ 2.25949202e-05 -8.42359452e-05 2.49522625e-14] [ 8.42628807e-05 4.23826683e-04 -4.31603538e-14] [-8.42628805e-05 -4.23826683e-04 2.22266650e-13] [ 1.00623936e-13 2.37419025e-13 -2.29765967e-05] [ 4.12642143e-13 1.19626531e-14 2.29765951e-05] [-2.25949194e-05 8.42359450e-05 1.56735405e-13] [ 2.25949207e-05 -8.42359449e-05 1.11249146e-13] [ 8.42628812e-05 4.23826684e-04 2.08435867e-13] [-8.42628810e-05 -4.23826682e-04 1.44682368e-14] [-2.52337214e-13 -9.90044592e-14 -2.29765959e-05] [-4.26107066e-13 -1.74208177e-13 2.29765962e-05] [ 1.59413917e-04 -2.82813437e-05 -1.33728613e-04] [-1.59413916e-04 2.82813450e-05 -1.33728614e-04] [-1.23098151e-04 -6.40035598e-05 -4.15896018e-04] [ 1.23098151e-04 6.40035595e-05 -4.15896017e-04] [ 1.59413916e-04 -2.82813441e-05 1.33728614e-04] [-1.59413915e-04 2.82813450e-05 1.33728614e-04] [ 1.23098152e-04 6.40035593e-05 4.15896017e-04] [-1.23098152e-04 -6.40035597e-05 4.15896018e-04] [ 1.59413915e-04 -2.82813453e-05 -1.33728615e-04] [-1.59413916e-04 2.82813441e-05 -1.33728614e-04] [-1.23098152e-04 -6.40035604e-05 -4.15896018e-04] [ 1.23098152e-04 6.40035595e-05 -4.15896018e-04] [ 1.59413916e-04 -2.82813448e-05 1.33728614e-04] [-1.59413916e-04 2.82813436e-05 1.33728614e-04] [ 1.23098151e-04 6.40035602e-05 4.15896017e-04] [-1.23098151e-04 -6.40035599e-05 4.15896018e-04] [ 7.92477195e-13 1.05962461e-12 1.73830395e-12] [-9.84220518e-13 -1.23437326e-12 -5.17367678e-13] [-3.72998758e-04 4.24387824e-05 8.10911378e-05] [ 3.72998756e-04 -4.24387846e-05 8.10911357e-05] [-3.72998758e-04 4.24387799e-05 -8.10911406e-05] [ 3.72998757e-04 -4.24387818e-05 -8.10911381e-05] [ 2.22170084e-04 -3.73619321e-04 2.22038463e-04] [ 2.22170083e-04 -3.73619320e-04 -2.22038464e-04] [-2.22170085e-04 3.73619318e-04 2.22038462e-04] [-2.22170083e-04 3.73619319e-04 -2.22038463e-04] [-2.62235556e-04 -3.01080427e-04 -1.98396855e-13] [-4.24698381e-04 3.85976083e-04 -1.28728625e-13] [ 4.24698377e-04 -3.85976087e-04 -8.18419985e-13] [ 2.62235556e-04 3.01080428e-04 -9.69195210e-13] [-3.72998757e-04 4.24387809e-05 8.10911392e-05] [ 3.72998759e-04 -4.24387803e-05 8.10911403e-05] [-3.72998758e-04 4.24387827e-05 -8.10911372e-05] [ 3.72998758e-04 -4.24387799e-05 -8.10911402e-05] [ 2.22170085e-04 -3.73619318e-04 2.22038462e-04] [ 2.22170087e-04 -3.73619318e-04 -2.22038460e-04] [-2.22170083e-04 3.73619320e-04 2.22038464e-04] [-2.22170085e-04 3.73619319e-04 -2.22038462e-04] [-2.62235559e-04 -3.01080426e-04 9.97265509e-13] [-4.24698376e-04 3.85976088e-04 9.88181633e-13] [ 4.24698379e-04 -3.85976084e-04 1.65055919e-12] [ 2.62235557e-04 3.01080426e-04 1.38938167e-12]] Final stress: [ 5.45468185e-06 -1.52683800e-05 5.45050593e-06 -4.63841812e-16 -2.52702349e-16 -3.27843817e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.03474290e-05 -5.26260154e-05 1.81974661e-13] [-3.03474309e-05 5.26260155e-05 1.26981758e-13] [-5.26478308e-05 -4.28416576e-04 7.63165572e-14] [ 5.26478302e-05 4.28416579e-04 -1.23512311e-14] [ 3.88968371e-14 -4.22811959e-13 2.99694792e-05] [ 2.38864484e-13 1.29896094e-14 -2.99694808e-05] [ 3.03474294e-05 -5.26260153e-05 3.63366626e-13] [-3.03474301e-05 5.26260156e-05 -1.42931975e-13] [-5.26478308e-05 -4.28416577e-04 8.43491845e-14] [ 5.26478303e-05 4.28416578e-04 -1.64244507e-13] [-3.01076438e-13 2.32260577e-15 2.99694797e-05] [-1.88795160e-13 -3.35035378e-13 -2.99694801e-05] [-1.86913491e-04 -2.49808043e-06 1.32603466e-04] [ 1.86913491e-04 2.49808118e-06 1.32603466e-04] [ 1.16672426e-04 6.82766130e-05 4.36549865e-04] [-1.16672425e-04 -6.82766135e-05 4.36549865e-04] [-1.86913491e-04 -2.49808109e-06 -1.32603466e-04] [ 1.86913491e-04 2.49808075e-06 -1.32603466e-04] [-1.16672425e-04 -6.82766138e-05 -4.36549865e-04] [ 1.16672426e-04 6.82766133e-05 -4.36549865e-04] [-1.86913491e-04 -2.49808107e-06 1.32603466e-04] [ 1.86913492e-04 2.49808086e-06 1.32603465e-04] [ 1.16672425e-04 6.82766144e-05 4.36549864e-04] [-1.16672426e-04 -6.82766127e-05 4.36549865e-04] [-1.86913491e-04 -2.49808046e-06 -1.32603466e-04] [ 1.86913491e-04 2.49808054e-06 -1.32603466e-04] [-1.16672426e-04 -6.82766124e-05 -4.36549866e-04] [ 1.16672425e-04 6.82766140e-05 -4.36549865e-04] [ 1.48903112e-12 -2.67827427e-12 2.01408334e-12] [-4.45555051e-13 2.24388411e-13 4.28867611e-13] [ 4.00815481e-04 -5.02610404e-05 -1.02562267e-04] [-4.00815481e-04 5.02610388e-05 -1.02562268e-04] [ 4.00815481e-04 -5.02610398e-05 1.02562268e-04] [-4.00815481e-04 5.02610400e-05 1.02562267e-04] [-2.32726972e-04 4.00224255e-04 -2.32850138e-04] [-2.32726972e-04 4.00224255e-04 2.32850138e-04] [ 2.32726971e-04 -4.00224256e-04 -2.32850139e-04] [ 2.32726971e-04 -4.00224256e-04 2.32850139e-04] [ 2.23952476e-04 2.76097182e-04 1.57540647e-13] [ 4.28812713e-04 -3.76601595e-04 5.19835910e-13] [-4.28812712e-04 3.76601595e-04 7.37016351e-13] [-2.23952478e-04 -2.76097180e-04 7.00087557e-13] [ 4.00815481e-04 -5.02610336e-05 -1.02562274e-04] [-4.00815480e-04 5.02610331e-05 -1.02562274e-04] [ 4.00815481e-04 -5.02610349e-05 1.02562272e-04] [-4.00815480e-04 5.02610340e-05 1.02562273e-04] [-2.32726977e-04 4.00224255e-04 -2.32850133e-04] [-2.32726978e-04 4.00224256e-04 2.32850133e-04] [ 2.32726978e-04 -4.00224258e-04 -2.32850133e-04] [ 2.32726978e-04 -4.00224256e-04 2.32850133e-04] [ 2.23952483e-04 2.76097175e-04 1.36422048e-12] [ 4.28812709e-04 -3.76601599e-04 1.11097708e-12] [-4.28812706e-04 3.76601601e-04 2.16250222e-15] [-2.23952485e-04 -2.76097174e-04 -2.64197518e-13]] Final stress: [-5.27504943e-06 1.52346545e-05 -5.27899087e-06 3.39159322e-16 4.43899701e-16 3.64275358e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.37330507e-05 5.45715406e-05 -4.83987850e-16] [-2.37330520e-05 -5.45715409e-05 2.13412621e-13] [ 5.45882204e-05 -4.30887144e-04 1.45239723e-14] [-5.45882195e-05 4.30887145e-04 2.44831933e-13] [ 4.04648537e-13 -4.10643741e-13 2.33553822e-05] [ 1.72362125e-14 -6.34381436e-13 -2.33553844e-05] [ 2.37330513e-05 5.45715411e-05 2.08162310e-13] [-2.37330511e-05 -5.45715407e-05 6.94784324e-14] [ 5.45882200e-05 -4.30887144e-04 3.14266886e-13] [-5.45882195e-05 4.30887144e-04 -3.09582608e-13] [ 1.46695156e-13 1.89353498e-13 2.33553840e-05] [-1.39088827e-13 1.92913424e-13 -2.33553828e-05] [-1.18876871e-04 6.68474539e-05 -4.36568744e-04] [ 1.18876871e-04 -6.68474544e-05 -4.36568744e-04] [ 1.83784505e-04 1.40502742e-06 -1.33549369e-04] [-1.83784505e-04 -1.40502830e-06 -1.33549370e-04] [-1.18876872e-04 6.68474536e-05 4.36568744e-04] [ 1.18876872e-04 -6.68474532e-05 4.36568744e-04] [-1.83784505e-04 -1.40502858e-06 1.33549370e-04] [ 1.83784505e-04 1.40502801e-06 1.33549369e-04] [-1.18876872e-04 6.68474538e-05 -4.36568745e-04] [ 1.18876871e-04 -6.68474533e-05 -4.36568744e-04] [ 1.83784504e-04 1.40502939e-06 -1.33549370e-04] [-1.83784506e-04 -1.40502820e-06 -1.33549370e-04] [-1.18876870e-04 6.68474542e-05 4.36568743e-04] [ 1.18876871e-04 -6.68474538e-05 4.36568744e-04] [-1.83784506e-04 -1.40502747e-06 1.33549369e-04] [ 1.83784505e-04 1.40502849e-06 1.33549370e-04] [ 1.40767953e-12 -1.27323152e-12 2.21361818e-12] [-9.61253646e-15 6.08520361e-14 -7.06623481e-13] [-3.94215553e-04 -5.31198919e-05 -9.76332489e-05] [ 3.94215551e-04 5.31198930e-05 -9.76332477e-05] [-3.94215552e-04 -5.31198942e-05 9.76332474e-05] [ 3.94215551e-04 5.31198946e-05 9.76332465e-05] [-2.32085229e-04 -3.93623836e-04 -2.32209151e-04] [-2.32085231e-04 -3.93623834e-04 2.32209151e-04] [ 2.32085228e-04 3.93623835e-04 -2.32209154e-04] [ 2.32085228e-04 3.93623836e-04 2.32209154e-04] [-4.26594379e-04 -3.82165934e-04 -3.03645997e-13] [-2.31593064e-04 2.75943130e-04 -1.26548078e-14] [ 2.31593063e-04 -2.75943133e-04 1.35794154e-14] [ 4.26594377e-04 3.82165936e-04 -2.72009845e-13] [-3.94215550e-04 -5.31198951e-05 -9.76332460e-05] [ 3.94215552e-04 5.31198954e-05 -9.76332460e-05] [-3.94215550e-04 -5.31198945e-05 9.76332466e-05] [ 3.94215552e-04 5.31198957e-05 9.76332462e-05] [-2.32085227e-04 -3.93623836e-04 -2.32209155e-04] [-2.32085225e-04 -3.93623836e-04 2.32209156e-04] [ 2.32085227e-04 3.93623835e-04 -2.32209153e-04] [ 2.32085228e-04 3.93623836e-04 2.32209153e-04] [-4.26594379e-04 -3.82165934e-04 5.60774273e-14] [-2.31593062e-04 2.75943133e-04 9.97048574e-13] [ 2.31593062e-04 -2.75943132e-04 1.17964744e-12] [ 4.26594382e-04 3.82165931e-04 2.11485864e-12]] Final stress: [-5.29786602e-06 1.52210685e-05 -5.30182553e-06 1.84542572e-16 9.09412496e-16 -3.61783090e-06] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.97553282e-04 -3.90442886e-15 4.13996094e-14] [ 4.97553282e-04 -3.71092046e-14 -3.87467836e-14] [-4.55659815e-14 -4.97553282e-04 -6.84213970e-14] [ 3.99402733e-14 4.97553282e-04 -1.82076576e-14] [-1.69598710e-13 4.33208157e-14 -7.61712582e-04] [-2.37032616e-14 -1.79856130e-14 7.61712582e-04] [-4.97553282e-04 -2.88011802e-14 -7.34869377e-14] [ 4.97553282e-04 -6.71281607e-14 -1.27329596e-13] [-1.64999958e-13 -4.97553282e-04 -4.56394923e-14] [-4.69199332e-15 4.97553282e-04 -4.64964703e-14] [ 1.25151625e-14 1.32267929e-13 -7.61712582e-04] [-1.40989651e-15 -2.18096757e-14 7.61712582e-04] [-2.14050031e-04 -2.14050032e-04 1.32553599e-04] [ 2.14050032e-04 2.14050032e-04 1.32553599e-04] [ 2.14050031e-04 -2.14050031e-04 -1.32553599e-04] [-2.14050031e-04 2.14050031e-04 -1.32553599e-04] [-2.14050031e-04 -2.14050032e-04 -1.32553599e-04] [ 2.14050031e-04 2.14050031e-04 -1.32553599e-04] [-2.14050031e-04 2.14050032e-04 1.32553599e-04] [ 2.14050032e-04 -2.14050031e-04 1.32553599e-04] [-2.14050032e-04 -2.14050032e-04 1.32553599e-04] [ 2.14050032e-04 2.14050031e-04 1.32553599e-04] [ 2.14050031e-04 -2.14050032e-04 -1.32553599e-04] [-2.14050031e-04 2.14050031e-04 -1.32553599e-04] [-2.14050032e-04 -2.14050032e-04 -1.32553599e-04] [ 2.14050031e-04 2.14050032e-04 -1.32553599e-04] [-2.14050032e-04 2.14050031e-04 1.32553599e-04] [ 2.14050032e-04 -2.14050032e-04 1.32553599e-04] [ 3.24462679e-14 -1.66783254e-13 4.07451850e-14] [ 5.92538171e-14 3.43554208e-14 -5.96335421e-14] [-1.22679644e-13 -2.85735700e-05 -2.06807311e-04] [-1.43739187e-13 2.85735703e-05 -2.06807311e-04] [-7.75386699e-14 -2.85735699e-05 2.06807312e-04] [-5.49785911e-14 2.85735702e-05 2.06807311e-04] [-2.85735698e-05 9.38138456e-14 -2.06807311e-04] [-2.85735702e-05 9.02663361e-14 2.06807311e-04] [ 2.85735696e-05 -5.82311976e-14 -2.06807312e-04] [ 2.85735701e-05 -8.35269354e-15 2.06807312e-04] [-4.60632311e-04 -4.60632310e-04 1.37667655e-14] [ 4.60632311e-04 -4.60632311e-04 -2.30839653e-14] [-4.60632311e-04 4.60632311e-04 1.24454266e-13] [ 4.60632311e-04 4.60632311e-04 -1.34840056e-14] [ 2.14136434e-13 -2.85735698e-05 -2.06807312e-04] [ 1.14430167e-13 2.85735697e-05 -2.06807312e-04] [ 6.40902262e-14 -2.85735697e-05 2.06807312e-04] [ 5.50015762e-14 2.85735699e-05 2.06807312e-04] [-2.85735700e-05 -1.71474297e-13 -2.06807311e-04] [-2.85735699e-05 -1.93101177e-13 2.06807311e-04] [ 2.85735701e-05 4.69247037e-14 -2.06807311e-04] [ 2.85735702e-05 -5.03269301e-14 2.06807311e-04] [-4.60632311e-04 -4.60632311e-04 -1.75250573e-14] [ 4.60632311e-04 -4.60632311e-04 2.18928100e-14] [-4.60632311e-04 4.60632311e-04 -1.42000418e-13] [ 4.60632311e-04 4.60632311e-04 3.64851378e-14]] Final stress: [-8.59655515e-06 -8.59655515e-06 2.44360800e-05 2.36083636e-16 7.98029192e-17 2.16132906e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.44582699e-05 -2.06605566e-13 -1.93903053e-14] [ 3.44582689e-05 1.09662279e-13 1.22901689e-13] [ 1.68352745e-13 -3.40762811e-05 -8.15495310e-05] [ 2.67896816e-13 3.40762810e-05 8.15495307e-05] [ 2.27847255e-14 -8.15676826e-05 4.20355066e-04] [-2.11830553e-13 8.15676823e-05 -4.20355067e-04] [-3.44582681e-05 3.54533243e-13 -5.17649529e-14] [ 3.44582701e-05 -2.49399893e-13 -9.27930032e-14] [-3.19728185e-13 -3.40762811e-05 -8.15495309e-05] [ 6.21872345e-14 3.40762816e-05 8.15495305e-05] [ 1.76861130e-13 -8.15676824e-05 4.20355068e-04] [-3.85976841e-13 8.15676823e-05 -4.20355067e-04] [ 4.15155064e-04 1.19083834e-04 -6.65245704e-05] [ 1.31360580e-04 -1.65059653e-04 -2.11419298e-05] [ 1.31360580e-04 1.65059654e-04 2.11419300e-05] [ 4.15155064e-04 -1.19083834e-04 6.65245704e-05] [-1.31360580e-04 1.65059654e-04 2.11419296e-05] [-4.15155063e-04 -1.19083834e-04 6.65245712e-05] [-1.31360579e-04 -1.65059654e-04 -2.11419294e-05] [-4.15155063e-04 1.19083834e-04 -6.65245710e-05] [ 4.15155064e-04 1.19083834e-04 -6.65245711e-05] [ 1.31360580e-04 -1.65059654e-04 -2.11419298e-05] [ 1.31360580e-04 1.65059655e-04 2.11419294e-05] [ 4.15155063e-04 -1.19083834e-04 6.65245707e-05] [-1.31360580e-04 1.65059654e-04 2.11419300e-05] [-4.15155064e-04 -1.19083834e-04 6.65245706e-05] [-1.31360580e-04 -1.65059653e-04 -2.11419300e-05] [-4.15155063e-04 1.19083834e-04 -6.65245700e-05] [ 1.13281606e-12 -7.30526750e-14 7.24642568e-13] [-1.59099079e-12 2.42574424e-14 -5.71912044e-13] [-1.69819714e-12 4.28540966e-04 3.75571179e-04] [-3.57363444e-13 2.48227181e-04 -3.01297326e-04] [-1.43722534e-12 -2.48227181e-04 3.01297328e-04] [-2.21513780e-13 -4.28540963e-04 -3.75571182e-04] [ 9.00175885e-05 3.85455392e-04 3.71273826e-05] [ 9.00175882e-05 -3.85455390e-04 -3.71273830e-05] [-9.00175901e-05 3.85455391e-04 3.71273803e-05] [-9.00175890e-05 -3.85455391e-04 -3.71273816e-05] [ 2.23080164e-04 2.23210302e-04 3.86075510e-04] [-2.23080164e-04 2.23210303e-04 3.86075510e-04] [ 2.23080167e-04 -2.23210301e-04 -3.86075511e-04] [-2.23080167e-04 -2.23210300e-04 -3.86075511e-04] [ 3.27612069e-13 4.28540960e-04 3.75571186e-04] [-9.23024678e-14 2.48227184e-04 -3.01297324e-04] [ 5.42410301e-13 -2.48227185e-04 3.01297323e-04] [ 7.11713674e-14 -4.28540963e-04 -3.75571183e-04] [ 9.00175917e-05 3.85455390e-04 3.71273784e-05] [ 9.00175934e-05 -3.85455393e-04 -3.71273768e-05] [-9.00175916e-05 3.85455390e-04 3.71273787e-05] [-9.00175926e-05 -3.85455392e-04 -3.71273784e-05] [ 2.23080163e-04 2.23210304e-04 3.86075511e-04] [-2.23080162e-04 2.23210305e-04 3.86075511e-04] [ 2.23080162e-04 -2.23210304e-04 -3.86075510e-04] [-2.23080160e-04 -2.23210307e-04 -3.86075510e-04]] Final stress: [ 5.40992749e-06 5.41405692e-06 -1.52924530e-05 3.31539660e-06 1.02909707e-15 -8.22945150e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.36666016e-05 1.64462628e-13 1.06606130e-13] [ 3.36666012e-05 2.62123656e-13 4.34735581e-13] [-4.82643439e-15 -3.32846341e-05 8.17258212e-05] [ 2.16215934e-14 3.32846356e-05 -8.17258219e-05] [ 1.80053021e-13 8.17445722e-05 4.20597510e-04] [ 1.19626531e-14 -8.17445727e-05 -4.20597512e-04] [-3.36666015e-05 1.89284352e-14 2.98928740e-13] [ 3.36666022e-05 1.50008478e-13 -1.50561672e-15] [ 1.16787656e-13 -3.32846348e-05 8.17258213e-05] [-2.84256559e-13 3.32846351e-05 -8.17258212e-05] [-2.78535875e-13 8.17445725e-05 4.20597511e-04] [-4.69594415e-13 -8.17445723e-05 -4.20597511e-04] [-1.31529770e-04 1.64673193e-04 -2.16324068e-05] [-4.15212482e-04 -1.19358230e-04 -6.63541802e-05] [-4.15212481e-04 1.19358229e-04 6.63541798e-05] [-1.31529769e-04 -1.64673193e-04 2.16324068e-05] [ 4.15212482e-04 1.19358230e-04 6.63541804e-05] [ 1.31529770e-04 -1.64673193e-04 2.16324070e-05] [ 4.15212482e-04 -1.19358230e-04 -6.63541799e-05] [ 1.31529770e-04 1.64673193e-04 -2.16324073e-05] [-1.31529769e-04 1.64673192e-04 -2.16324068e-05] [-4.15212481e-04 -1.19358229e-04 -6.63541807e-05] [-4.15212482e-04 1.19358230e-04 6.63541797e-05] [-1.31529770e-04 -1.64673193e-04 2.16324070e-05] [ 4.15212482e-04 1.19358230e-04 6.63541799e-05] [ 1.31529769e-04 -1.64673193e-04 2.16324071e-05] [ 4.15212481e-04 -1.19358229e-04 -6.63541804e-05] [ 1.31529770e-04 1.64673192e-04 -2.16324068e-05] [ 2.50466314e-13 -1.27400868e-12 1.73380754e-12] [-8.18227864e-13 2.09895023e-13 1.28789869e-14] [-1.34570133e-12 -2.49209646e-04 -3.01265420e-04] [-5.99574210e-13 -4.28258508e-04 3.76304646e-04] [-8.76770878e-13 4.28258508e-04 -3.76304645e-04] [ 3.66448191e-13 2.49209650e-04 3.01265417e-04] [ 8.93850622e-05 -3.84599452e-04 3.75100988e-05] [ 8.93850599e-05 3.84599452e-04 -3.75101017e-05] [-8.93850625e-05 -3.84599451e-04 3.75100986e-05] [-8.93850612e-05 3.84599451e-04 -3.75101001e-05] [ 2.23006573e-04 2.23136809e-04 -3.85219598e-04] [-2.23006575e-04 2.23136807e-04 -3.85219599e-04] [ 2.23006576e-04 -2.23136808e-04 3.85219598e-04] [-2.23006577e-04 -2.23136806e-04 3.85219597e-04] [ 8.26699386e-13 -2.49209653e-04 -3.01265413e-04] [ 1.21039333e-12 -4.28258503e-04 3.76304650e-04] [ 1.84044620e-13 4.28258504e-04 -3.76304649e-04] [ 4.82990817e-13 2.49209651e-04 3.01265415e-04] [ 8.93850654e-05 -3.84599453e-04 3.75100956e-05] [ 8.93850670e-05 3.84599450e-04 -3.75100944e-05] [-8.93850647e-05 -3.84599452e-04 3.75100972e-05] [-8.93850643e-05 3.84599450e-04 -3.75100969e-05] [ 2.23006571e-04 2.23136811e-04 -3.85219597e-04] [-2.23006572e-04 2.23136811e-04 -3.85219596e-04] [ 2.23006571e-04 -2.23136810e-04 3.85219599e-04] [-2.23006570e-04 -2.23136812e-04 3.85219600e-04]] Final stress: [ 5.41278305e-06 5.41691565e-06 -1.52908558e-05 -3.31294353e-06 -2.29427133e-16 -5.28679915e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.45339736e-05 -1.66997926e-13 -4.01367307e-14] [-3.45339741e-05 -5.12645482e-14 -3.62210262e-14] [ 5.14047138e-13 3.49121308e-05 -5.12321502e-05] [ 2.72504241e-13 -3.49121296e-05 5.12321502e-05] [ 1.53378612e-13 -5.12575541e-05 -4.26725999e-04] [ 4.35762537e-15 5.12575542e-05 4.26725998e-04] [ 3.45339736e-05 -1.96424908e-13 -1.20814181e-15] [-3.45339727e-05 -2.11157480e-13 2.40875840e-13] [-1.83861173e-13 3.49121291e-05 -5.12321504e-05] [ 2.28341651e-13 -3.49121300e-05 5.12321507e-05] [-1.42870091e-13 -5.12575538e-05 -4.26725998e-04] [-1.92489687e-13 5.12575538e-05 4.26725999e-04] [ 1.31983156e-04 -1.89087752e-04 -5.20236034e-06] [ 4.36569231e-04 1.15136100e-04 6.92820150e-05] [ 4.36569231e-04 -1.15136100e-04 -6.92820148e-05] [ 1.31983156e-04 1.89087752e-04 5.20236007e-06] [-4.36569231e-04 -1.15136100e-04 -6.92820160e-05] [-1.31983155e-04 1.89087753e-04 5.20236085e-06] [-4.36569230e-04 1.15136100e-04 6.92820160e-05] [-1.31983155e-04 -1.89087753e-04 -5.20236110e-06] [ 1.31983155e-04 -1.89087752e-04 -5.20236077e-06] [ 4.36569231e-04 1.15136100e-04 6.92820153e-05] [ 4.36569230e-04 -1.15136099e-04 -6.92820155e-05] [ 1.31983155e-04 1.89087753e-04 5.20236062e-06] [-4.36569231e-04 -1.15136100e-04 -6.92820151e-05] [-1.31983156e-04 1.89087752e-04 5.20236019e-06] [-4.36569231e-04 1.15136100e-04 6.92820141e-05] [-1.31983156e-04 -1.89087752e-04 -5.20236051e-06] [ 1.55292446e-12 -1.24200650e-12 5.38624700e-13] [-2.09277561e-12 2.64033585e-13 -4.26890380e-13] [-2.36033415e-13 2.18772571e-04 2.76104420e-04] [-2.64474206e-13 4.30239025e-04 -3.72848961e-04] [-2.87658786e-13 -4.30239024e-04 3.72848963e-04] [-4.77697742e-13 -2.18772570e-04 -2.76104421e-04] [-1.05865089e-04 4.05384966e-04 -4.83813327e-05] [-1.05865091e-04 -4.05384965e-04 4.83813314e-05] [ 1.05865089e-04 4.05384966e-04 -4.83813336e-05] [ 1.05865090e-04 -4.05384966e-04 4.83813322e-05] [-2.33279539e-04 -2.33156906e-04 4.04794108e-04] [ 2.33279538e-04 -2.33156907e-04 4.04794108e-04] [-2.33279538e-04 2.33156907e-04 -4.04794107e-04] [ 2.33279537e-04 2.33156908e-04 -4.04794108e-04] [ 1.09283979e-12 2.18772569e-04 2.76104421e-04] [ 1.29982830e-13 4.30239027e-04 -3.72848960e-04] [ 6.92080941e-13 -4.30239027e-04 3.72848960e-04] [ 2.29876881e-13 -2.18772569e-04 -2.76104421e-04] [-1.05865088e-04 4.05384964e-04 -4.83813349e-05] [-1.05865088e-04 -4.05384966e-04 4.83813353e-05] [ 1.05865089e-04 4.05384965e-04 -4.83813338e-05] [ 1.05865089e-04 -4.05384966e-04 4.83813331e-05] [-2.33279539e-04 -2.33156907e-04 4.04794110e-04] [ 2.33279540e-04 -2.33156906e-04 4.04794109e-04] [-2.33279540e-04 2.33156905e-04 -4.04794108e-04] [ 2.33279540e-04 2.33156905e-04 -4.04794107e-04]] Final stress: [-5.26355562e-06 -5.25962605e-06 1.52442275e-05 3.66050218e-06 2.46056763e-16 1.06402925e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.24795433e-05 7.18457412e-14 6.73601799e-14] [-2.24795447e-05 1.44606549e-13 -1.81660242e-13] [-4.30526708e-13 2.28571618e-05 5.47841286e-05] [ 2.08999484e-14 -2.28571616e-05 -5.47841290e-05] [ 4.56197580e-14 5.48001634e-05 -4.31218646e-04] [ 2.98622238e-13 -5.48001639e-05 4.31218645e-04] [ 2.24795451e-05 1.48756875e-14 -3.75520318e-13] [-2.24795437e-05 7.92191833e-14 1.71249983e-13] [ 3.80440904e-13 2.28571616e-05 5.47841285e-05] [-2.80310931e-13 -2.28571614e-05 -5.47841284e-05] [-8.21773205e-14 5.48001635e-05 -4.31218645e-04] [-1.23707034e-13 -5.48001637e-05 4.31218646e-04] [-4.36588142e-04 -1.19153999e-04 6.66736756e-05] [-1.33697385e-04 1.83379078e-04 1.91376319e-06] [-1.33697384e-04 -1.83379079e-04 -1.91376298e-06] [-4.36588143e-04 1.19153999e-04 -6.66736750e-05] [ 1.33697384e-04 -1.83379078e-04 -1.91376389e-06] [ 4.36588143e-04 1.19154000e-04 -6.66736751e-05] [ 1.33697385e-04 1.83379078e-04 1.91376363e-06] [ 4.36588143e-04 -1.19154000e-04 6.66736752e-05] [-4.36588143e-04 -1.19154000e-04 6.66736756e-05] [-1.33697384e-04 1.83379078e-04 1.91376289e-06] [-1.33697385e-04 -1.83379077e-04 -1.91376398e-06] [-4.36588143e-04 1.19154000e-04 -6.66736752e-05] [ 1.33697384e-04 -1.83379077e-04 -1.91376328e-06] [ 4.36588143e-04 1.19153999e-04 -6.66736757e-05] [ 1.33697384e-04 1.83379079e-04 1.91376359e-06] [ 4.36588143e-04 -1.19153999e-04 6.66736756e-05] [ 1.84777194e-12 -8.80989726e-13 7.12707671e-13] [-1.54465113e-12 3.84949926e-14 -1.23355938e-12] [-8.75299833e-13 -4.26190551e-04 -3.82979884e-04] [-2.59769636e-13 -2.32689596e-04 2.75820255e-04] [-7.14237697e-13 2.32689594e-04 -2.75820255e-04] [-1.01056490e-12 4.26190553e-04 3.82979882e-04] [-9.68831093e-05 -3.93343488e-04 -5.35882714e-05] [-9.68831090e-05 3.93343488e-04 5.35882708e-05] [ 9.68831070e-05 -3.93343487e-04 -5.35882728e-05] [ 9.68831076e-05 3.93343488e-04 5.35882727e-05] [-2.32108410e-04 -2.31984401e-04 -3.92751762e-04] [ 2.32108408e-04 -2.31984404e-04 -3.92751761e-04] [-2.32108407e-04 2.31984404e-04 3.92751762e-04] [ 2.32108406e-04 2.31984405e-04 3.92751762e-04] [ 6.08890542e-13 -4.26190552e-04 -3.82979883e-04] [ 1.21721123e-12 -2.32689597e-04 2.75820253e-04] [ 1.04116845e-12 2.32689595e-04 -2.75820255e-04] [ 1.60793817e-12 4.26190550e-04 3.82979884e-04] [-9.68831089e-05 -3.93343488e-04 -5.35882715e-05] [-9.68831078e-05 3.93343488e-04 5.35882720e-05] [ 9.68831101e-05 -3.93343489e-04 -5.35882700e-05] [ 9.68831099e-05 3.93343487e-04 5.35882705e-05] [-2.32108406e-04 -2.31984405e-04 -3.92751761e-04] [ 2.32108407e-04 -2.31984404e-04 -3.92751761e-04] [-2.32108406e-04 2.31984406e-04 3.92751762e-04] [ 2.32108408e-04 2.31984403e-04 3.92751763e-04]] Final stress: [-5.30511880e-06 -5.30115683e-06 1.52191708e-05 -3.61500639e-06 -1.56445550e-15 6.65018278e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.47035300e-05 1.02597618e-13 -8.37282865e-05] [ 2.47035295e-05 2.70616862e-14 8.37282863e-05] [ 3.46724819e-13 -2.50852623e-05 -1.11092125e-13] [ 2.48301379e-13 2.50852634e-05 -2.11219930e-14] [-8.37535997e-05 -2.35282280e-13 4.23194357e-04] [ 8.37535997e-05 -2.30315766e-13 -4.23194358e-04] [-2.47035301e-05 1.18899248e-13 -8.37282865e-05] [ 2.47035301e-05 1.71337770e-13 8.37282857e-05] [ 4.01346924e-13 -2.50852635e-05 6.60077113e-15] [-3.16064449e-13 2.50852625e-05 -3.12163203e-13] [-8.37536002e-05 -1.67635348e-13 4.23194358e-04] [ 8.37535994e-05 2.10042446e-14 -4.23194357e-04] [ 1.22357153e-04 4.15770409e-04 -6.44721102e-05] [-1.60455416e-04 1.33303310e-04 -2.69673069e-05] [-1.22357153e-04 4.15770409e-04 6.44721107e-05] [ 1.60455416e-04 1.33303311e-04 2.69673074e-05] [ 1.60455416e-04 -1.33303311e-04 2.69673074e-05] [-1.22357154e-04 -4.15770409e-04 6.44721101e-05] [ 1.22357154e-04 -4.15770410e-04 -6.44721098e-05] [-1.60455415e-04 -1.33303311e-04 -2.69673075e-05] [ 1.22357153e-04 4.15770410e-04 -6.44721102e-05] [-1.60455415e-04 1.33303311e-04 -2.69673073e-05] [-1.22357154e-04 4.15770409e-04 6.44721099e-05] [ 1.60455415e-04 1.33303311e-04 2.69673075e-05] [ 1.60455416e-04 -1.33303310e-04 2.69673071e-05] [-1.22357154e-04 -4.15770409e-04 6.44721103e-05] [ 1.22357153e-04 -4.15770408e-04 -6.44721104e-05] [-1.60455416e-04 -1.33303310e-04 -2.69673071e-05] [ 8.56842375e-13 -1.35008671e-12 6.73905376e-13] [-2.40273079e-13 1.20259839e-12 -6.55155708e-13] [ 3.75291487e-04 8.27032335e-05 4.14898225e-05] [ 3.75291486e-04 -8.27032335e-05 4.14898233e-05] [-3.75291486e-04 8.27032314e-05 -4.14898245e-05] [-3.75291486e-04 -8.27032310e-05 -4.14898249e-05] [ 4.25376313e-04 -1.09912079e-13 3.84091223e-04] [-2.59689668e-04 1.54863969e-13 3.01093286e-04] [ 2.59689667e-04 -1.90616620e-13 -3.01093288e-04] [-4.25376312e-04 1.27490726e-12 -3.84091223e-04] [ 2.22358447e-04 2.22227110e-04 3.75911965e-04] [-2.22358448e-04 2.22227108e-04 -3.75911966e-04] [ 2.22358450e-04 -2.22227108e-04 3.75911964e-04] [-2.22358450e-04 -2.22227107e-04 -3.75911965e-04] [ 3.75291487e-04 8.27032314e-05 4.14898248e-05] [ 3.75291488e-04 -8.27032332e-05 4.14898226e-05] [-3.75291486e-04 8.27032328e-05 -4.14898235e-05] [-3.75291486e-04 -8.27032341e-05 -4.14898227e-05] [ 4.25376312e-04 -1.18302839e-12 3.84091224e-04] [-2.59689666e-04 -2.28450288e-13 3.01093288e-04] [ 2.59689668e-04 -4.77655675e-13 -3.01093285e-04] [-4.25376313e-04 -9.46207956e-13 -3.84091223e-04] [ 2.22358450e-04 2.22227107e-04 3.75911965e-04] [-2.22358449e-04 2.22227108e-04 -3.75911964e-04] [ 2.22358449e-04 -2.22227108e-04 3.75911966e-04] [-2.22358449e-04 -2.22227108e-04 -3.75911964e-04]] Final stress: [ 5.44731522e-06 5.44314794e-06 -1.52729137e-05 -2.94265236e-16 3.28537787e-06 8.32920243e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.35169558e-05 -6.78953421e-14 8.40049090e-05] [ 2.35169544e-05 1.45522483e-13 -8.40049085e-05] [ 7.64284469e-14 -2.38986554e-05 1.98790203e-13] [-3.33066907e-16 2.38986565e-05 -1.72722947e-13] [ 8.40311281e-05 -2.61927632e-13 4.23552414e-04] [-8.40311280e-05 -2.49800181e-14 -4.23552416e-04] [-2.35169555e-05 -1.73485358e-14 8.40049085e-05] [ 2.35169554e-05 4.03386959e-13 -8.40049088e-05] [-3.07239477e-13 -2.38986557e-05 -3.89562897e-14] [-2.77312028e-13 2.38986556e-05 -2.49083505e-13] [ 8.40311275e-05 -1.57051662e-13 4.23552413e-04] [-8.40311282e-05 -5.94408357e-15 -4.23552415e-04] [ 1.59871856e-04 -1.33548186e-04 -2.77049148e-05] [-1.22771521e-04 -4.15846544e-04 -6.42117574e-05] [-1.59871856e-04 -1.33548187e-04 2.77049149e-05] [ 1.22771522e-04 -4.15846544e-04 6.42117574e-05] [ 1.22771522e-04 4.15846543e-04 6.42117573e-05] [-1.59871856e-04 1.33548187e-04 2.77049156e-05] [ 1.59871857e-04 1.33548186e-04 -2.77049142e-05] [-1.22771521e-04 4.15846543e-04 -6.42117577e-05] [ 1.59871855e-04 -1.33548188e-04 -2.77049150e-05] [-1.22771521e-04 -4.15846543e-04 -6.42117573e-05] [-1.59871857e-04 -1.33548185e-04 2.77049139e-05] [ 1.22771521e-04 -4.15846543e-04 6.42117575e-05] [ 1.22771522e-04 4.15846543e-04 6.42117571e-05] [-1.59871857e-04 1.33548187e-04 2.77049146e-05] [ 1.59871856e-04 1.33548187e-04 -2.77049151e-05] [-1.22771522e-04 4.15846543e-04 -6.42117570e-05] [ 1.69997350e-12 -1.29446454e-12 1.75454096e-12] [-1.36245746e-12 9.72973134e-14 5.80221103e-14] [-3.74003506e-04 8.17792804e-05 4.20398075e-05] [-3.74003505e-04 -8.17792793e-05 4.20398093e-05] [ 3.74003505e-04 8.17792817e-05 -4.20398058e-05] [ 3.74003506e-04 -8.17792790e-05 -4.20398092e-05] [-2.61137942e-04 4.26769731e-13 -3.01068929e-04] [ 4.24976889e-04 1.05214448e-12 -3.85166722e-04] [-4.24976892e-04 1.27644423e-13 3.85166720e-04] [ 2.61137942e-04 -2.28707678e-13 3.01068929e-04] [ 2.22250323e-04 2.22118833e-04 -3.74624024e-04] [-2.22250323e-04 2.22118832e-04 3.74624025e-04] [ 2.22250325e-04 -2.22118831e-04 -3.74624024e-04] [-2.22250325e-04 -2.22118830e-04 3.74624025e-04] [-3.74003505e-04 8.17792824e-05 4.20398053e-05] [-3.74003505e-04 -8.17792837e-05 4.20398034e-05] [ 3.74003506e-04 8.17792831e-05 -4.20398050e-05] [ 3.74003506e-04 -8.17792846e-05 -4.20398038e-05] [-2.61137945e-04 -2.33129129e-12 -3.01068926e-04] [ 4.24976887e-04 -5.55732110e-13 -3.85166726e-04] [-4.24976889e-04 -1.22025610e-12 3.85166724e-04] [ 2.61137946e-04 -9.21998155e-13 3.01068924e-04] [ 2.22250328e-04 2.22118827e-04 -3.74624023e-04] [-2.22250328e-04 2.22118827e-04 3.74624025e-04] [ 2.22250327e-04 -2.22118827e-04 -3.74624024e-04] [-2.22250325e-04 -2.22118830e-04 3.74624026e-04]] Final stress: [ 5.45151304e-06 5.44734088e-06 -1.52703948e-05 1.47963875e-16 -3.28156908e-06 -4.20616410e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.02563769e-05 -7.20296219e-14 -5.55503322e-05] [-2.02563771e-05 3.27377014e-13 5.55503323e-05] [ 1.59289682e-13 1.98788552e-05 1.22054710e-13] [ 1.01751940e-13 -1.98788536e-05 2.88741253e-13] [-5.55643481e-05 8.72158248e-14 -4.32195567e-04] [ 5.55643488e-05 1.25371935e-13 4.32195566e-04] [ 2.02563779e-05 9.08995101e-14 -5.55503321e-05] [-2.02563770e-05 3.10394072e-14 5.55503319e-05] [-2.37694846e-13 1.98788555e-05 1.05400436e-13] [ 1.88184971e-13 -1.98788542e-05 -3.21208701e-13] [-5.55643481e-05 -7.24384317e-15 -4.32195568e-04] [ 5.55643482e-05 3.54252039e-13 4.32195567e-04] [-1.82151303e-04 1.34072502e-04 3.44788754e-06] [ 1.20022287e-04 4.36602803e-04 6.61122134e-05] [ 1.82151304e-04 1.34072501e-04 -3.44788757e-06] [-1.20022287e-04 4.36602803e-04 -6.61122140e-05] [-1.20022287e-04 -4.36602803e-04 -6.61122135e-05] [ 1.82151304e-04 -1.34072502e-04 -3.44788709e-06] [-1.82151303e-04 -1.34072502e-04 3.44788722e-06] [ 1.20022287e-04 -4.36602803e-04 6.61122134e-05] [-1.82151304e-04 1.34072502e-04 3.44788704e-06] [ 1.20022287e-04 4.36602803e-04 6.61122130e-05] [ 1.82151303e-04 1.34072502e-04 -3.44788797e-06] [-1.20022287e-04 4.36602803e-04 -6.61122135e-05] [-1.20022287e-04 -4.36602803e-04 -6.61122141e-05] [ 1.82151303e-04 -1.34072502e-04 -3.44788760e-06] [-1.82151304e-04 -1.34072502e-04 3.44788673e-06] [ 1.20022287e-04 -4.36602802e-04 6.61122134e-05] [ 6.92390589e-13 -7.99360578e-13 9.31699162e-13] [-4.68590878e-13 -3.88195757e-13 2.70424380e-13] [ 3.90755634e-04 -9.49543566e-05 -5.47050877e-05] [ 3.90755635e-04 9.49543565e-05 -5.47050875e-05] [-3.90755636e-04 -9.49543570e-05 5.47050874e-05] [-3.90755636e-04 9.49543574e-05 5.47050868e-05] [ 2.35689929e-04 -4.00790512e-13 2.75772364e-04] [-4.25333025e-04 7.49202783e-13 3.85165881e-04] [ 4.25333024e-04 -8.10235559e-13 -3.85165882e-04] [-2.35689930e-04 -2.54532506e-13 -2.75772362e-04] [-2.31735484e-04 -2.31859806e-04 3.90163697e-04] [ 2.31735484e-04 -2.31859807e-04 -3.90163693e-04] [-2.31735484e-04 2.31859806e-04 3.90163696e-04] [ 2.31735483e-04 2.31859808e-04 -3.90163695e-04] [ 3.90755637e-04 -9.49543606e-05 -5.47050831e-05] [ 3.90755636e-04 9.49543593e-05 -5.47050842e-05] [-3.90755635e-04 -9.49543611e-05 5.47050827e-05] [-3.90755636e-04 9.49543622e-05 5.47050820e-05] [ 2.35689934e-04 -9.45374576e-14 2.75772359e-04] [-4.25333020e-04 -9.56508527e-13 3.85165886e-04] [ 4.25333020e-04 -6.67600957e-13 -3.85165886e-04] [-2.35689932e-04 -1.31406604e-13 -2.75772360e-04] [-2.31735488e-04 -2.31859804e-04 3.90163696e-04] [ 2.31735489e-04 -2.31859802e-04 -3.90163694e-04] [-2.31735488e-04 2.31859804e-04 3.90163695e-04] [ 2.31735489e-04 2.31859801e-04 -3.90163694e-04]] Final stress: [-5.31013194e-06 -5.31410135e-06 1.52140163e-05 -4.98763709e-16 3.60519820e-06 -8.06334663e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.93319167e-05 1.03550848e-13 5.58151905e-05] [-1.93319160e-05 6.10622664e-16 -5.58151903e-05] [-3.92472513e-13 1.89544394e-05 2.83843261e-13] [-2.41667797e-13 -1.89544377e-05 1.98008276e-13] [ 5.58284952e-05 -2.07482035e-13 -4.32538829e-04] [-5.58284947e-05 9.12880882e-14 4.32538829e-04] [ 1.93319163e-05 -1.85399439e-13 5.58151906e-05] [-1.93319160e-05 1.84032910e-13 -5.58151902e-05] [ 2.82131089e-14 1.89544382e-05 -7.91323038e-14] [-5.05559136e-14 -1.89544389e-05 -2.34849517e-13] [ 5.58284946e-05 -5.81306169e-14 -4.32538829e-04] [-5.58284948e-05 3.51712316e-13 4.32538828e-04] [-1.20327514e-04 -4.36604572e-04 6.59144456e-05] [ 1.81714073e-04 -1.34206623e-04 3.99244084e-06] [ 1.20327515e-04 -4.36604572e-04 -6.59144455e-05] [-1.81714073e-04 -1.34206624e-04 -3.99244057e-06] [-1.81714074e-04 1.34206624e-04 -3.99244045e-06] [ 1.20327514e-04 4.36604573e-04 -6.59144458e-05] [-1.20327513e-04 4.36604572e-04 6.59144455e-05] [ 1.81714073e-04 1.34206623e-04 3.99244072e-06] [-1.20327514e-04 -4.36604572e-04 6.59144457e-05] [ 1.81714074e-04 -1.34206624e-04 3.99243930e-06] [ 1.20327514e-04 -4.36604572e-04 -6.59144454e-05] [-1.81714073e-04 -1.34206624e-04 -3.99244065e-06] [-1.81714073e-04 1.34206624e-04 -3.99244087e-06] [ 1.20327514e-04 4.36604572e-04 -6.59144454e-05] [-1.20327514e-04 4.36604572e-04 6.59144451e-05] [ 1.81714073e-04 1.34206624e-04 3.99244017e-06] [-5.31796829e-13 -9.34585742e-13 5.88112892e-13] [-7.24198479e-13 9.07718725e-13 -9.46804564e-14] [-3.89830232e-04 -9.42477996e-05 -5.51202166e-05] [-3.89830231e-04 9.42478004e-05 -5.51202151e-05] [ 3.89830231e-04 -9.42477994e-05 5.51202165e-05] [ 3.89830231e-04 9.42478016e-05 5.51202140e-05] [-4.25001013e-04 3.00870440e-13 -3.85954827e-04] [ 2.36771149e-04 6.50920290e-13 -2.75730954e-04] [-2.36771151e-04 6.51124987e-13 2.75730954e-04] [ 4.25001013e-04 -1.37946946e-13 3.85954827e-04] [-2.31641909e-04 -2.31766330e-04 -3.89238239e-04] [ 2.31641908e-04 -2.31766331e-04 3.89238240e-04] [-2.31641908e-04 2.31766331e-04 -3.89238239e-04] [ 2.31641908e-04 2.31766332e-04 3.89238239e-04] [-3.89830230e-04 -9.42478024e-05 -5.51202136e-05] [-3.89830231e-04 9.42478016e-05 -5.51202141e-05] [ 3.89830231e-04 -9.42478017e-05 5.51202145e-05] [ 3.89830231e-04 9.42478011e-05 5.51202147e-05] [-4.25001011e-04 -4.81286126e-13 -3.85954828e-04] [ 2.36771152e-04 -9.66330965e-13 -2.75730952e-04] [-2.36771151e-04 -1.19892377e-12 2.75730952e-04] [ 4.25001012e-04 -1.03621365e-12 3.85954827e-04] [-2.31641909e-04 -2.31766330e-04 -3.89238239e-04] [ 2.31641909e-04 -2.31766330e-04 3.89238241e-04] [-2.31641910e-04 2.31766329e-04 -3.89238240e-04] [ 2.31641911e-04 2.31766328e-04 3.89238240e-04]] Final stress: [-5.31335573e-06 -5.31732772e-06 1.52120100e-05 -2.84295314e-16 -3.60178779e-06 -2.26106215e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.14409636e-05 -8.54999344e-05 -1.77059756e-13] [ 2.14409620e-05 8.54999343e-05 1.49075197e-13] [-8.54999339e-05 -2.14409625e-05 -1.73363060e-13] [ 8.54999343e-05 2.14409641e-05 -1.26232358e-13] [ 1.74878341e-13 2.13486347e-13 4.23777702e-04] [-1.52933222e-14 9.95870053e-14 -4.23777703e-04] [-2.14409617e-05 -8.54999343e-05 1.88418570e-13] [ 2.14409636e-05 8.54999340e-05 4.31581376e-14] [-8.54999343e-05 -2.14409626e-05 -1.50783054e-13] [ 8.54999342e-05 2.14409630e-05 2.15388896e-13] [ 4.22890889e-14 -2.19204817e-14 4.23777701e-04] [-8.29154453e-15 -6.36651169e-14 -4.23777701e-04] [ 1.23726339e-04 1.23726340e-04 2.28336221e-04] [-1.23726339e-04 -1.23726339e-04 2.28336220e-04] [-1.58607460e-04 1.58607459e-04 3.21431230e-04] [ 1.58607460e-04 -1.58607460e-04 3.21431230e-04] [ 1.23726339e-04 1.23726339e-04 -2.28336221e-04] [-1.23726339e-04 -1.23726339e-04 -2.28336219e-04] [ 1.58607460e-04 -1.58607460e-04 -3.21431230e-04] [-1.58607460e-04 1.58607460e-04 -3.21431230e-04] [ 1.23726338e-04 1.23726338e-04 2.28336220e-04] [-1.23726339e-04 -1.23726338e-04 2.28336220e-04] [-1.58607460e-04 1.58607460e-04 3.21431230e-04] [ 1.58607460e-04 -1.58607460e-04 3.21431230e-04] [ 1.23726338e-04 1.23726338e-04 -2.28336221e-04] [-1.23726339e-04 -1.23726340e-04 -2.28336221e-04] [ 1.58607460e-04 -1.58607459e-04 -3.21431231e-04] [-1.58607460e-04 1.58607460e-04 -3.21431229e-04] [ 1.33421052e-12 -6.66577904e-13 1.89337435e-12] [-2.14673548e-12 -3.31407208e-13 -6.20967144e-13] [ 3.71633724e-04 8.02556761e-05 4.29044416e-05] [-3.71633726e-04 -8.02556759e-05 4.29044425e-05] [ 3.71633725e-04 8.02556757e-05 -4.29044419e-05] [-3.71633726e-04 -8.02556743e-05 -4.29044438e-05] [ 8.02556765e-05 3.71633726e-04 4.29044418e-05] [ 8.02556771e-05 3.71633726e-04 -4.29044409e-05] [-8.02556776e-05 -3.71633727e-04 4.29044401e-05] [-8.02556788e-05 -3.71633726e-04 -4.29044388e-05] [ 5.65668016e-04 5.65668019e-04 1.11022302e-12] [ 1.21561633e-04 -1.21561632e-04 -3.39612019e-13] [-1.21561634e-04 1.21561631e-04 -2.32609071e-13] [-5.65668017e-04 -5.65668017e-04 -9.91406610e-13] [ 3.71633727e-04 8.02556772e-05 4.29044406e-05] [-3.71633725e-04 -8.02556786e-05 4.29044398e-05] [ 3.71633727e-04 8.02556781e-05 -4.29044395e-05] [-3.71633726e-04 -8.02556764e-05 -4.29044417e-05] [ 8.02556755e-05 3.71633724e-04 4.29044428e-05] [ 8.02556772e-05 3.71633725e-04 -4.29044407e-05] [-8.02556760e-05 -3.71633726e-04 4.29044431e-05] [-8.02556755e-05 -3.71633726e-04 -4.29044423e-05] [ 5.65668018e-04 5.65668015e-04 -2.47580948e-14] [ 1.21561631e-04 -1.21561634e-04 1.26912746e-13] [-1.21561631e-04 1.21561635e-04 6.86190166e-14] [-5.65668016e-04 -5.65668017e-04 -4.48635486e-13]] Final stress: [ 5.45863418e-06 5.45863418e-06 -1.52694899e-05 -6.63343667e-16 3.67415916e-16 3.27877504e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.63283564e-05 8.36134648e-05 2.02433990e-13] [ 2.63283557e-05 -8.36134648e-05 1.19959598e-13] [ 8.36134646e-05 -2.63283562e-05 2.41352077e-14] [-8.36134643e-05 2.63283566e-05 -3.74700271e-14] [-1.77533769e-13 9.59848520e-14 4.22593862e-04] [-2.14495088e-13 -4.62130334e-14 -4.22593863e-04] [-2.63283561e-05 8.36134644e-05 2.58759745e-14] [ 2.63283568e-05 -8.36134649e-05 6.98266817e-14] [ 8.36134643e-05 -2.63283551e-05 -7.21971470e-14] [-8.36134646e-05 2.63283566e-05 -1.72632896e-13] [-9.06596846e-14 2.30924157e-13 4.22593863e-04] [-6.87184684e-14 1.57675232e-13 -4.22593863e-04] [ 1.61221603e-04 1.61221603e-04 -3.20381453e-04] [-1.61221602e-04 -1.61221602e-04 -3.20381454e-04] [-1.21822880e-04 1.21822880e-04 -2.29069999e-04] [ 1.21822880e-04 -1.21822881e-04 -2.29069999e-04] [ 1.61221603e-04 1.61221603e-04 3.20381453e-04] [-1.61221602e-04 -1.61221602e-04 3.20381454e-04] [ 1.21822880e-04 -1.21822880e-04 2.29069999e-04] [-1.21822880e-04 1.21822881e-04 2.29069999e-04] [ 1.61221602e-04 1.61221603e-04 -3.20381455e-04] [-1.61221603e-04 -1.61221603e-04 -3.20381453e-04] [-1.21822880e-04 1.21822880e-04 -2.29069999e-04] [ 1.21822880e-04 -1.21822880e-04 -2.29069999e-04] [ 1.61221602e-04 1.61221603e-04 3.20381454e-04] [-1.61221603e-04 -1.61221603e-04 3.20381453e-04] [ 1.21822880e-04 -1.21822880e-04 2.29069999e-04] [-1.21822881e-04 1.21822880e-04 2.29069999e-04] [ 1.31289424e-12 -1.65423231e-13 1.11807785e-12] [-1.35435716e-12 -1.45321705e-12 -2.49645685e-13] [-3.77128462e-04 8.17782553e-05 4.28955652e-05] [ 3.77128460e-04 -8.17782549e-05 4.28955655e-05] [-3.77128462e-04 8.17782544e-05 -4.28955660e-05] [ 3.77128461e-04 -8.17782538e-05 -4.28955666e-05] [ 8.17782549e-05 -3.77128462e-04 4.28955657e-05] [ 8.17782548e-05 -3.77128461e-04 -4.28955654e-05] [-8.17782575e-05 3.77128461e-04 4.28955616e-05] [-8.17782562e-05 3.77128461e-04 -4.28955630e-05] [-1.19123628e-04 -1.19123625e-04 -2.20934382e-14] [-5.63655175e-04 5.63655177e-04 -1.37457754e-13] [ 5.63655174e-04 -5.63655178e-04 -4.01947572e-13] [ 1.19123627e-04 1.19123626e-04 -7.04726208e-13] [-3.77128460e-04 8.17782558e-05 4.28955641e-05] [ 3.77128461e-04 -8.17782559e-05 4.28955640e-05] [-3.77128460e-04 8.17782570e-05 -4.28955635e-05] [ 3.77128463e-04 -8.17782571e-05 -4.28955631e-05] [ 8.17782543e-05 -3.77128461e-04 4.28955658e-05] [ 8.17782556e-05 -3.77128461e-04 -4.28955646e-05] [-8.17782529e-05 3.77128461e-04 4.28955673e-05] [-8.17782530e-05 3.77128461e-04 -4.28955672e-05] [-1.19123625e-04 -1.19123628e-04 4.22346945e-13] [-5.63655175e-04 5.63655176e-04 2.86103708e-14] [ 5.63655178e-04 -5.63655174e-04 2.48384473e-13] [ 1.19123627e-04 1.19123625e-04 1.24464241e-13]] Final stress: [ 5.44754028e-06 5.44754028e-06 -1.52859390e-05 5.68580286e-16 -1.13051051e-16 -3.30255189e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.75582078e-05 -1.96605403e-04 2.96606923e-13] [-3.75582087e-05 1.96605403e-04 -1.17683641e-14] [-1.96605403e-04 3.75582084e-05 1.46539465e-13] [ 1.96605403e-04 -3.75582071e-05 2.23709939e-13] [ 1.49762147e-13 -2.16401549e-13 -4.28002849e-04] [ 2.13717932e-13 -4.53803661e-14 4.28002849e-04] [ 3.75582078e-05 -1.96605403e-04 -1.00321710e-14] [-3.75582078e-05 1.96605403e-04 7.36871647e-14] [-1.96605403e-04 3.75582075e-05 -2.04717217e-14] [ 1.96605403e-04 -3.75582079e-05 1.52462222e-13] [ 1.92298434e-13 -2.21037995e-13 -4.28002849e-04] [-3.12514771e-14 4.06931550e-13 4.28002849e-04] [-1.44727945e-04 -1.44727945e-04 2.35829692e-04] [ 1.44727945e-04 1.44727945e-04 2.35829692e-04] [ 1.64928146e-04 -1.64928146e-04 1.70483116e-04] [-1.64928145e-04 1.64928146e-04 1.70483115e-04] [-1.44727945e-04 -1.44727945e-04 -2.35829692e-04] [ 1.44727945e-04 1.44727945e-04 -2.35829691e-04] [-1.64928145e-04 1.64928145e-04 -1.70483115e-04] [ 1.64928146e-04 -1.64928146e-04 -1.70483116e-04] [-1.44727946e-04 -1.44727945e-04 2.35829691e-04] [ 1.44727945e-04 1.44727945e-04 2.35829691e-04] [ 1.64928145e-04 -1.64928145e-04 1.70483115e-04] [-1.64928146e-04 1.64928146e-04 1.70483116e-04] [-1.44727945e-04 -1.44727945e-04 -2.35829691e-04] [ 1.44727945e-04 1.44727945e-04 -2.35829692e-04] [-1.64928146e-04 1.64928146e-04 -1.70483115e-04] [ 1.64928145e-04 -1.64928146e-04 -1.70483115e-04] [ 1.13623000e-12 -7.19785342e-13 4.34319247e-13] [-1.16981858e-12 3.34345180e-13 -2.27531715e-13] [ 3.60302137e-04 3.31393583e-05 -2.19236383e-04] [-3.60302137e-04 -3.31393583e-05 -2.19236382e-04] [ 3.60302137e-04 3.31393589e-05 2.19236383e-04] [-3.60302137e-04 -3.31393574e-05 2.19236381e-04] [ 3.31393609e-05 3.60302138e-04 -2.19236385e-04] [ 3.31393609e-05 3.60302138e-04 2.19236385e-04] [-3.31393617e-05 -3.60302138e-04 -2.19236386e-04] [-3.31393600e-05 -3.60302138e-04 2.19236384e-04] [ 1.07359618e-04 1.07359621e-04 -1.33448808e-13] [ 5.86657099e-04 -5.86657096e-04 -4.59866520e-13] [-5.86657098e-04 5.86657096e-04 -8.29622829e-13] [-1.07359620e-04 -1.07359620e-04 -4.56351970e-13] [ 3.60302138e-04 3.31393597e-05 -2.19236384e-04] [-3.60302138e-04 -3.31393604e-05 -2.19236385e-04] [ 3.60302139e-04 3.31393607e-05 2.19236385e-04] [-3.60302137e-04 -3.31393616e-05 2.19236385e-04] [ 3.31393582e-05 3.60302136e-04 -2.19236383e-04] [ 3.31393590e-05 3.60302136e-04 2.19236383e-04] [-3.31393581e-05 -3.60302138e-04 -2.19236382e-04] [-3.31393584e-05 -3.60302138e-04 2.19236383e-04] [ 1.07359621e-04 1.07359619e-04 9.67444164e-13] [ 5.86657095e-04 -5.86657099e-04 3.77802715e-14] [-5.86657096e-04 5.86657099e-04 3.61313904e-13] [-1.07359621e-04 -1.07359619e-04 -1.90540292e-13]] Final stress: [-5.18647429e-06 -5.18647429e-06 1.60188791e-05 -8.47898305e-16 5.58615354e-16 2.11543296e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.10442653e-02 1.38090428e-02 2.50627557e-11] [-1.10442654e-02 -1.38090428e-02 -7.91972044e-12] [ 1.38090428e-02 1.10442654e-02 -1.46736659e-12] [-1.38090428e-02 -1.10442653e-02 1.20422006e-11] [-2.41011018e-11 9.13197794e-12 -3.23975388e-02] [ 2.27103891e-11 -1.87731775e-11 3.23975388e-02] [ 1.10442654e-02 1.38090428e-02 1.94881844e-11] [-1.10442653e-02 -1.38090428e-02 1.40430775e-11] [ 1.38090428e-02 1.10442654e-02 -1.42976574e-12] [-1.38090428e-02 -1.10442653e-02 -1.53474990e-11] [-2.41976179e-11 -4.22265642e-12 -3.23975389e-02] [-2.73136305e-11 1.05887626e-11 3.23975388e-02] [-1.67000858e-02 -1.67000858e-02 -1.22719341e-02] [ 1.67000858e-02 1.67000858e-02 -1.22719342e-02] [ 1.45322935e-02 -1.45322935e-02 -2.84215517e-02] [-1.45322935e-02 1.45322935e-02 -2.84215518e-02] [-1.67000858e-02 -1.67000857e-02 1.22719341e-02] [ 1.67000858e-02 1.67000858e-02 1.22719342e-02] [-1.45322935e-02 1.45322935e-02 2.84215517e-02] [ 1.45322935e-02 -1.45322935e-02 2.84215517e-02] [-1.67000859e-02 -1.67000858e-02 -1.22719342e-02] [ 1.67000857e-02 1.67000858e-02 -1.22719342e-02] [ 1.45322935e-02 -1.45322935e-02 -2.84215517e-02] [-1.45322935e-02 1.45322935e-02 -2.84215517e-02] [-1.67000858e-02 -1.67000859e-02 1.22719342e-02] [ 1.67000857e-02 1.67000858e-02 1.22719342e-02] [-1.45322935e-02 1.45322935e-02 2.84215517e-02] [ 1.45322934e-02 -1.45322934e-02 2.84215517e-02] [ 1.87854732e-10 -3.01192682e-11 1.12673759e-11] [-1.13785924e-10 -1.04571954e-10 1.98824115e-11] [-3.74156887e-02 1.24357872e-02 -8.71647427e-03] [ 3.74156888e-02 -1.24357871e-02 -8.71647412e-03] [-3.74156888e-02 1.24357870e-02 8.71647411e-03] [ 3.74156887e-02 -1.24357870e-02 8.71647410e-03] [ 1.24357872e-02 -3.74156888e-02 -8.71647425e-03] [ 1.24357872e-02 -3.74156887e-02 8.71647431e-03] [-1.24357875e-02 3.74156887e-02 -8.71647455e-03] [-1.24357873e-02 3.74156887e-02 8.71647442e-03] [-5.28536454e-02 -5.28536449e-02 -3.44743123e-11] [-3.23681498e-02 3.23681503e-02 7.19921119e-11] [ 3.23681500e-02 -3.23681503e-02 -2.44618197e-11] [ 5.28536453e-02 5.28536450e-02 2.59137208e-11] [-3.74156887e-02 1.24357873e-02 -8.71647439e-03] [ 3.74156887e-02 -1.24357874e-02 -8.71647443e-03] [-3.74156886e-02 1.24357873e-02 8.71647438e-03] [ 3.74156889e-02 -1.24357873e-02 8.71647445e-03] [ 1.24357870e-02 -3.74156888e-02 -8.71647408e-03] [ 1.24357870e-02 -3.74156888e-02 8.71647412e-03] [-1.24357870e-02 3.74156887e-02 -8.71647409e-03] [-1.24357871e-02 3.74156887e-02 8.71647421e-03] [-5.28536450e-02 -5.28536454e-02 7.04153055e-11] [-3.23681501e-02 3.23681500e-02 -2.90062760e-11] [ 3.23681503e-02 -3.23681499e-02 1.22337313e-10] [ 5.28536451e-02 5.28536452e-02 1.67854784e-11]] Final stress: [-2.07115314e-04 -2.07115314e-04 1.06581833e-03 -1.45755381e-14 -2.37694158e-14 2.42413367e-04] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.38131065e-03 -1.66582893e-13 -3.20027858e-13] [-2.38131065e-03 3.58602037e-14 4.61575222e-14] [-7.91077273e-14 1.61936813e-03 -3.49724590e-13] [-2.93876035e-13 -1.61936813e-03 1.37556633e-13] [-1.69060078e-13 -4.83600139e-13 1.61936813e-03] [-1.58484337e-14 -7.12319093e-13 -1.61936813e-03] [ 2.38131065e-03 -3.79093024e-13 -5.91743865e-13] [-2.38131065e-03 -4.73593820e-13 -1.73107490e-13] [-6.60357619e-13 1.61936813e-03 3.32299137e-13] [ 1.70068386e-13 -1.61936813e-03 -4.02222622e-13] [ 3.29702411e-13 1.05873222e-13 1.61936813e-03] [-2.38739584e-13 -4.62075060e-13 -1.61936813e-03] [-3.65658652e-04 7.74807222e-04 7.74807223e-04] [ 3.65658652e-04 -7.74807222e-04 7.74807223e-04] [ 3.65658652e-04 7.74807223e-04 -7.74807224e-04] [-3.65658652e-04 -7.74807222e-04 -7.74807223e-04] [-3.65658652e-04 7.74807223e-04 -7.74807224e-04] [ 3.65658652e-04 -7.74807222e-04 -7.74807223e-04] [-3.65658652e-04 -7.74807222e-04 7.74807223e-04] [ 3.65658652e-04 7.74807222e-04 7.74807223e-04] [-3.65658652e-04 7.74807223e-04 7.74807223e-04] [ 3.65658652e-04 -7.74807223e-04 7.74807223e-04] [ 3.65658652e-04 7.74807223e-04 -7.74807222e-04] [-3.65658652e-04 -7.74807223e-04 -7.74807221e-04] [-3.65658651e-04 7.74807223e-04 -7.74807222e-04] [ 3.65658652e-04 -7.74807223e-04 -7.74807222e-04] [-3.65658651e-04 -7.74807223e-04 7.74807223e-04] [ 3.65658652e-04 7.74807224e-04 7.74807223e-04] [ 2.69784195e-13 -3.16441318e-13 -1.17411636e-12] [-7.45306594e-13 3.41339095e-14 -2.34064907e-13] [ 6.64135413e-13 1.89129375e-03 1.89129375e-03] [ 9.07700998e-13 -1.89129375e-03 1.89129375e-03] [-9.07298542e-13 1.89129376e-03 -1.89129375e-03] [-4.52873850e-13 -1.89129376e-03 -1.89129375e-03] [ 1.04482899e-03 -8.43325410e-13 2.93830561e-04] [ 1.04482899e-03 1.30890611e-12 -2.93830559e-04] [-1.04482899e-03 -1.02129763e-12 2.93830560e-04] [-1.04482899e-03 8.94145868e-14 -2.93830558e-04] [ 1.04482899e-03 2.93830559e-04 -9.93982674e-13] [-1.04482899e-03 2.93830559e-04 -7.19386356e-13] [ 1.04482899e-03 -2.93830559e-04 -4.25095723e-13] [-1.04482899e-03 -2.93830561e-04 1.04973842e-12] [ 4.41241228e-13 1.89129376e-03 1.89129376e-03] [ 2.20772185e-13 -1.89129375e-03 1.89129376e-03] [ 1.89757498e-13 1.89129375e-03 -1.89129376e-03] [ 5.77736643e-14 -1.89129375e-03 -1.89129376e-03] [ 1.04482899e-03 8.64393345e-14 2.93830559e-04] [ 1.04482899e-03 5.60662194e-13 -2.93830560e-04] [-1.04482899e-03 6.68308724e-13 2.93830559e-04] [-1.04482899e-03 2.48406330e-13 -2.93830558e-04] [ 1.04482899e-03 2.93830559e-04 -1.10175686e-12] [-1.04482899e-03 2.93830560e-04 -1.67956053e-12] [ 1.04482899e-03 -2.93830559e-04 -1.97921313e-13] [-1.04482899e-03 -2.93830560e-04 -6.20408672e-13]] Final stress: [-1.00641898e-04 6.99153987e-06 6.99153987e-06 1.03740729e-15 -3.47464940e-16 -9.69244306e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.63481562e-03 -2.34123484e-13 -1.76451735e-13] [ 2.63481562e-03 -1.58845159e-13 1.50851553e-13] [ 2.34834287e-13 -1.52943798e-03 -4.44869835e-15] [ 2.69811951e-13 1.52943798e-03 1.55292446e-13] [-4.95662539e-14 -3.01035238e-14 -1.52943798e-03] [ 7.66331443e-14 -1.31589184e-13 1.52943798e-03] [-2.63481562e-03 -3.31974032e-13 2.55655977e-14] [ 2.63481562e-03 -2.23142251e-13 -1.03458756e-13] [-2.03142624e-13 -1.52943798e-03 9.31641389e-15] [-8.56688852e-14 1.52943798e-03 -1.30628582e-13] [ 3.39190048e-13 -3.55947738e-13 -1.52943798e-03] [-1.08108401e-13 -1.01736977e-13 1.52943798e-03] [ 4.06294095e-04 -8.07318137e-04 -8.07318137e-04] [-4.06294095e-04 8.07318137e-04 -8.07318137e-04] [-4.06294095e-04 -8.07318137e-04 8.07318137e-04] [ 4.06294095e-04 8.07318138e-04 8.07318137e-04] [ 4.06294095e-04 -8.07318137e-04 8.07318136e-04] [-4.06294095e-04 8.07318138e-04 8.07318136e-04] [ 4.06294094e-04 8.07318137e-04 -8.07318137e-04] [-4.06294095e-04 -8.07318137e-04 -8.07318137e-04] [ 4.06294094e-04 -8.07318137e-04 -8.07318137e-04] [-4.06294094e-04 8.07318137e-04 -8.07318137e-04] [-4.06294094e-04 -8.07318137e-04 8.07318138e-04] [ 4.06294095e-04 8.07318137e-04 8.07318138e-04] [ 4.06294095e-04 -8.07318137e-04 8.07318138e-04] [-4.06294094e-04 8.07318137e-04 8.07318138e-04] [ 4.06294094e-04 8.07318137e-04 -8.07318137e-04] [-4.06294094e-04 -8.07318137e-04 -8.07318137e-04] [ 2.79637424e-13 -1.79356530e-13 1.55903068e-13] [-3.55110906e-13 -1.43660066e-13 -2.97431117e-13] [-6.32049968e-13 -1.71352946e-03 -1.71352946e-03] [-2.36984044e-13 1.71352946e-03 -1.71352946e-03] [-1.73992765e-14 -1.71352946e-03 1.71352946e-03] [ 6.89899526e-14 1.71352946e-03 1.71352946e-03] [-1.16009828e-03 3.38173933e-13 1.00637895e-04] [-1.16009828e-03 1.91425001e-13 -1.00637895e-04] [ 1.16009828e-03 -2.98599687e-13 1.00637895e-04] [ 1.16009828e-03 -1.30156302e-13 -1.00637894e-04] [-1.16009828e-03 1.00637895e-04 1.37223566e-13] [ 1.16009828e-03 1.00637895e-04 3.61186775e-14] [-1.16009828e-03 -1.00637894e-04 2.52279100e-13] [ 1.16009828e-03 -1.00637895e-04 3.40734385e-14] [ 1.75020588e-14 -1.71352946e-03 -1.71352946e-03] [ 4.23785139e-13 1.71352946e-03 -1.71352946e-03] [-1.27977490e-13 -1.71352946e-03 1.71352946e-03] [-1.30608198e-13 1.71352946e-03 1.71352946e-03] [-1.16009828e-03 5.12380896e-14 1.00637894e-04] [-1.16009828e-03 4.27247213e-13 -1.00637894e-04] [ 1.16009828e-03 9.22538955e-14 1.00637894e-04] [ 1.16009828e-03 -2.86924998e-13 -1.00637895e-04] [-1.16009828e-03 1.00637895e-04 -3.43485928e-15] [ 1.16009828e-03 1.00637895e-04 -9.49678907e-14] [-1.16009828e-03 -1.00637895e-04 1.52878829e-13] [ 1.16009828e-03 -1.00637896e-04 1.15303166e-13]] Final stress: [ 9.76906420e-05 -9.93388677e-06 -9.93388678e-06 4.82139348e-17 -4.98764843e-18 -9.27702608e-16] Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.66146035e-03 -7.53178769e-13 -2.15326888e-14] [ 2.66146035e-03 4.41979786e-13 -2.86964896e-13] [ 4.17942157e-13 -4.49034039e-03 -3.26553021e-14] [ 4.90357754e-13 4.49034039e-03 -1.12465592e-13] [-1.28843984e-13 -2.33485106e-13 -2.66146035e-03] [ 1.19654286e-13 -5.29409849e-13 2.66146035e-03] [-2.66146035e-03 -6.69513490e-13 1.64015530e-13] [ 2.66146035e-03 -4.54267266e-13 1.16408843e-13] [-3.16259172e-13 -4.49034039e-03 2.82044586e-13] [-2.09889831e-13 4.49034039e-03 2.65087423e-13] [ 6.85402256e-14 -1.52045462e-12 -2.66146035e-03] [-4.83852975e-13 -8.91844436e-13 2.66146035e-03] [-1.44140210e-03 7.18382733e-04 -1.44140211e-03] [ 1.44140210e-03 -7.18382733e-04 -1.44140211e-03] [ 1.44140210e-03 7.18382733e-04 1.44140210e-03] [-1.44140211e-03 -7.18382732e-04 1.44140210e-03] [-1.44140211e-03 7.18382733e-04 1.44140210e-03] [ 1.44140210e-03 -7.18382733e-04 1.44140210e-03] [-1.44140211e-03 -7.18382732e-04 -1.44140210e-03] [ 1.44140210e-03 7.18382732e-04 -1.44140211e-03] [-1.44140210e-03 7.18382733e-04 -1.44140210e-03] [ 1.44140211e-03 -7.18382734e-04 -1.44140211e-03] [ 1.44140211e-03 7.18382733e-04 1.44140211e-03] [-1.44140211e-03 -7.18382734e-04 1.44140211e-03] [-1.44140210e-03 7.18382733e-04 1.44140211e-03] [ 1.44140211e-03 -7.18382734e-04 1.44140211e-03] [-1.44140211e-03 -7.18382733e-04 -1.44140211e-03] [ 1.44140211e-03 7.18382733e-04 -1.44140210e-03] [-8.45934434e-13 -6.42375042e-13 2.88991053e-13] [ 7.55576157e-14 3.05191068e-13 -1.19195316e-12] [-6.83342272e-13 -1.90016113e-03 -3.17619789e-05] [-1.29328839e-13 1.90016113e-03 -3.17619807e-05] [-4.99284641e-13 -1.90016113e-03 3.17619780e-05] [ 8.62258182e-13 1.90016113e-03 3.17619790e-05] [-3.15725838e-03 4.70068429e-13 -3.15725838e-03] [-3.15725838e-03 5.68068162e-13 3.15725838e-03] [ 3.15725838e-03 7.97374319e-13 -3.15725838e-03] [ 3.15725838e-03 1.07875861e-12 3.15725838e-03] [-3.17619783e-05 -1.90016113e-03 1.92068583e-14] [ 3.17619785e-05 -1.90016113e-03 -5.73929793e-13] [-3.17619780e-05 1.90016113e-03 -9.62866939e-13] [ 3.17619781e-05 1.90016113e-03 2.10801862e-13] [-5.45724924e-13 -1.90016113e-03 -3.17619759e-05] [ 5.53829118e-13 1.90016113e-03 -3.17619774e-05] [ 4.05511128e-13 -1.90016113e-03 3.17619774e-05] [ 2.74032533e-13 1.90016113e-03 3.17619781e-05] [-3.15725838e-03 -4.00868738e-13 -3.15725838e-03] [-3.15725838e-03 -5.10971473e-14 3.15725838e-03] [ 3.15725838e-03 3.14545265e-13 -3.15725838e-03] [ 3.15725838e-03 -3.46987630e-13 3.15725838e-03] [-3.17619769e-05 -1.90016113e-03 5.44605015e-13] [ 3.17619776e-05 -1.90016113e-03 1.09733288e-13] [-3.17619783e-05 1.90016113e-03 5.72616234e-13] [ 3.17619785e-05 1.90016113e-03 9.48720269e-13]] Final stress: [-1.13842216e-05 1.73072897e-04 -1.13842216e-05 5.32015832e-17 8.54550431e-16 -2.70330545e-15] Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.55341769e-03 -4.06728470e-13 -2.05080744e-13] [-1.55341769e-03 -3.67761377e-14 -4.15140144e-13] [-3.88760205e-14 1.55341769e-03 2.19225679e-15] [-2.88186142e-13 -1.55341769e-03 -2.06668016e-13] [-4.44401460e-13 -6.65260815e-13 2.31818145e-03] [-1.24344979e-13 -6.55836496e-13 -2.31818145e-03] [ 1.55341769e-03 -4.98628916e-14 -2.65584118e-13] [-1.55341769e-03 -1.00105254e-13 1.41256053e-13] [-4.38809145e-13 1.55341769e-03 3.05026429e-13] [ 3.69614495e-13 -1.55341769e-03 -1.68953355e-13] [-3.20321894e-13 -6.03992159e-13 2.31818145e-03] [-9.19169255e-14 -1.23739232e-13 -2.31818145e-03] [ 7.64784645e-04 7.64784645e-04 -3.49582131e-04] [-7.64784647e-04 -7.64784646e-04 -3.49582131e-04] [-7.64784646e-04 7.64784646e-04 3.49582131e-04] [ 7.64784646e-04 -7.64784645e-04 3.49582131e-04] [ 7.64784646e-04 7.64784646e-04 3.49582131e-04] [-7.64784647e-04 -7.64784646e-04 3.49582130e-04] [ 7.64784646e-04 -7.64784645e-04 -3.49582131e-04] [-7.64784647e-04 7.64784645e-04 -3.49582130e-04] [ 7.64784646e-04 7.64784646e-04 -3.49582130e-04] [-7.64784645e-04 -7.64784646e-04 -3.49582130e-04] [-7.64784645e-04 7.64784646e-04 3.49582131e-04] [ 7.64784646e-04 -7.64784646e-04 3.49582131e-04] [ 7.64784646e-04 7.64784646e-04 3.49582131e-04] [-7.64784645e-04 -7.64784646e-04 3.49582131e-04] [ 7.64784646e-04 -7.64784647e-04 -3.49582131e-04] [-7.64784645e-04 7.64784646e-04 -3.49582131e-04] [-1.87905247e-13 2.67119660e-13 -1.76469950e-13] [ 4.89130004e-13 2.88058002e-13 7.12201996e-14] [-4.41646719e-13 3.61457077e-04 9.73415577e-04] [ 7.47384793e-13 -3.61457078e-04 9.73415576e-04] [ 2.54834348e-13 3.61457078e-04 -9.73415577e-04] [ 3.73766990e-13 -3.61457079e-04 -9.73415575e-04] [ 3.61457078e-04 5.75983705e-13 9.73415576e-04] [ 3.61457077e-04 -3.41884507e-13 -9.73415577e-04] [-3.61457078e-04 -1.31816433e-13 9.73415577e-04] [-3.61457078e-04 -1.04177084e-13 -9.73415577e-04] [ 1.87222221e-03 1.87222221e-03 -2.09166018e-13] [-1.87222221e-03 1.87222221e-03 -4.12196319e-13] [ 1.87222221e-03 -1.87222221e-03 -4.97024297e-13] [-1.87222221e-03 -1.87222221e-03 -3.53996346e-13] [ 2.90387939e-13 3.61457078e-04 9.73415578e-04] [-3.85260400e-14 -3.61457077e-04 9.73415577e-04] [-5.26674190e-13 3.61457078e-04 -9.73415577e-04] [-3.85021875e-14 -3.61457078e-04 -9.73415576e-04] [ 3.61457077e-04 7.97078395e-14 9.73415577e-04] [ 3.61457078e-04 2.15498409e-13 -9.73415577e-04] [-3.61457078e-04 1.08842059e-12 9.73415576e-04] [-3.61457078e-04 2.41631801e-13 -9.73415577e-04] [ 1.87222221e-03 1.87222221e-03 -2.85789689e-13] [-1.87222221e-03 1.87222221e-03 -2.05579857e-13] [ 1.87222221e-03 -1.87222221e-03 -9.65931233e-13] [-1.87222221e-03 -1.87222221e-03 4.18737094e-13]] Final stress: [ 6.57231376e-06 6.57231376e-06 -9.89471553e-05 -2.72651915e-16 -2.92602055e-16 -1.03408226e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.61815201e-03 1.44430475e-13 1.34921588e-13] [ 1.61815201e-03 -2.37893039e-13 3.05894199e-13] [-7.98432501e-14 -1.61815201e-03 -1.87946447e-13] [ 5.06622522e-13 1.61815201e-03 3.04534176e-13] [ 1.77215447e-13 -2.84355872e-14 -2.97865782e-03] [ 1.73056014e-13 -3.36453088e-13 2.97865782e-03] [-1.61815201e-03 4.17862359e-13 -4.84216275e-13] [ 1.61815201e-03 9.47930970e-14 1.26818394e-15] [-3.26247276e-13 -1.61815201e-03 -4.76037629e-13] [ 1.43514107e-13 1.61815201e-03 -1.81076729e-13] [ 3.38069416e-13 -2.18388106e-13 -2.97865782e-03] [-1.64527680e-13 -1.02042250e-13 2.97865782e-03] [-9.69098085e-04 -9.69098086e-04 4.37334985e-04] [ 9.69098085e-04 9.69098085e-04 4.37334985e-04] [ 9.69098086e-04 -9.69098086e-04 -4.37334986e-04] [-9.69098086e-04 9.69098087e-04 -4.37334986e-04] [-9.69098085e-04 -9.69098086e-04 -4.37334986e-04] [ 9.69098085e-04 9.69098086e-04 -4.37334986e-04] [-9.69098086e-04 9.69098086e-04 4.37334985e-04] [ 9.69098086e-04 -9.69098086e-04 4.37334985e-04] [-9.69098085e-04 -9.69098085e-04 4.37334985e-04] [ 9.69098086e-04 9.69098085e-04 4.37334985e-04] [ 9.69098086e-04 -9.69098086e-04 -4.37334985e-04] [-9.69098085e-04 9.69098085e-04 -4.37334985e-04] [-9.69098086e-04 -9.69098086e-04 -4.37334985e-04] [ 9.69098086e-04 9.69098085e-04 -4.37334985e-04] [-9.69098086e-04 9.69098085e-04 4.37334985e-04] [ 9.69098087e-04 -9.69098086e-04 4.37334985e-04] [ 4.23966418e-13 -5.89139848e-13 1.75415238e-13] [-5.09076288e-14 -4.14486359e-14 -1.08469293e-12] [ 3.03312930e-13 5.34527671e-05 -1.44584461e-03] [ 4.80586057e-13 -5.34527666e-05 -1.44584461e-03] [ 1.93432076e-13 5.34527660e-05 1.44584461e-03] [ 3.10336826e-13 -5.34527655e-05 1.44584461e-03] [ 5.34527658e-05 3.78586051e-14 -1.44584461e-03] [ 5.34527648e-05 -3.90798505e-14 1.44584461e-03] [-5.34527662e-05 2.64349306e-13 -1.44584461e-03] [-5.34527650e-05 9.99981348e-14 1.44584461e-03] [-2.09485961e-03 -2.09485961e-03 -4.07673895e-13] [ 2.09485961e-03 -2.09485961e-03 6.89032165e-14] [-2.09485961e-03 2.09485962e-03 -8.49391738e-13] [ 2.09485961e-03 2.09485961e-03 -1.16981078e-13] [-3.65289396e-13 5.34527645e-05 -1.44584461e-03] [-5.54839161e-13 -5.34527653e-05 -1.44584461e-03] [-3.42943122e-13 5.34527657e-05 1.44584461e-03] [-1.55780337e-13 -5.34527664e-05 1.44584461e-03] [ 5.34527659e-05 3.98423483e-13 -1.44584461e-03] [ 5.34527670e-05 -4.12775933e-13 1.44584461e-03] [-5.34527664e-05 -1.54873076e-13 -1.44584461e-03] [-5.34527671e-05 -6.02716661e-13 1.44584461e-03] [-2.09485961e-03 -2.09485961e-03 4.08932577e-13] [ 2.09485961e-03 -2.09485961e-03 7.66906981e-13] [-2.09485961e-03 2.09485961e-03 2.43479644e-13] [ 2.09485961e-03 2.09485961e-03 5.96881485e-13]] Final stress: [-8.98489222e-06 -8.98489222e-06 1.16637888e-04 1.92855739e-16 -1.72905146e-16 -1.02080538e-15] Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.82905401e-04 -5.23834448e-14 1.44756169e-13] [ 4.82905401e-04 -6.71129818e-14 6.56974475e-14] [-1.08090620e-14 -1.49901291e-04 8.44506756e-15] [ 1.29535271e-13 1.49901291e-04 5.51780843e-14] [-4.10912623e-15 1.08047252e-14 -1.49901291e-04] [ 8.01581024e-14 -8.84570195e-14 1.49901290e-04] [-4.82905401e-04 -1.30424751e-13 -9.35800861e-14] [ 4.82905402e-04 8.36826268e-14 -6.37082667e-14] [-1.01737195e-14 -1.49901290e-04 -4.69396687e-14] [-3.55761427e-14 1.49901291e-04 -1.82408348e-13] [-4.36790361e-14 -4.54050686e-14 -1.49901291e-04] [-1.59101031e-13 2.70332495e-14 1.49901291e-04] [ 5.06558581e-05 -1.65103051e-04 -1.65103051e-04] [-5.06558580e-05 1.65103051e-04 -1.65103051e-04] [-5.06558578e-05 -1.65103051e-04 1.65103051e-04] [ 5.06558577e-05 1.65103051e-04 1.65103051e-04] [ 5.06558579e-05 -1.65103051e-04 1.65103051e-04] [-5.06558578e-05 1.65103051e-04 1.65103051e-04] [ 5.06558580e-05 1.65103051e-04 -1.65103051e-04] [-5.06558580e-05 -1.65103051e-04 -1.65103051e-04] [ 5.06558576e-05 -1.65103051e-04 -1.65103051e-04] [-5.06558578e-05 1.65103051e-04 -1.65103051e-04] [-5.06558580e-05 -1.65103051e-04 1.65103051e-04] [ 5.06558581e-05 1.65103051e-04 1.65103051e-04] [ 5.06558579e-05 -1.65103051e-04 1.65103051e-04] [-5.06558580e-05 1.65103051e-04 1.65103051e-04] [ 5.06558578e-05 1.65103051e-04 -1.65103051e-04] [-5.06558577e-05 -1.65103051e-04 -1.65103051e-04] [ 2.76279000e-13 1.01946229e-13 1.03331232e-12] [-4.74184927e-13 -1.77422918e-13 -6.02361124e-13] [ 8.39328607e-14 -3.22404219e-04 -3.22404220e-04] [-4.46068529e-13 3.22404218e-04 -3.22404221e-04] [-3.46878776e-13 -3.22404220e-04 3.22404219e-04] [-5.76779943e-13 3.22404220e-04 3.22404220e-04] [-2.66610254e-04 -8.64419647e-13 1.70988605e-05] [-2.66610254e-04 -3.86140772e-13 -1.70988607e-05] [ 2.66610253e-04 -6.96956381e-13 1.70988594e-05] [ 2.66610254e-04 -7.79046966e-14 -1.70988600e-05] [-2.66610254e-04 1.70988610e-05 -9.38138456e-14] [ 2.66610253e-04 1.70988596e-05 2.11891268e-13] [-2.66610254e-04 -1.70988608e-05 -5.71551487e-13] [ 2.66610254e-04 -1.70988604e-05 -2.53809126e-13] [ 4.16212204e-14 -3.22404220e-04 -3.22404220e-04] [ 4.73925586e-13 3.22404220e-04 -3.22404220e-04] [ 3.56153908e-13 -3.22404219e-04 3.22404221e-04] [ 6.44797150e-13 3.22404220e-04 3.22404219e-04] [-2.66610254e-04 3.20836147e-13 1.70988601e-05] [-2.66610253e-04 4.50666414e-13 -1.70988595e-05] [ 2.66610255e-04 1.05952573e-14 1.70988612e-05] [ 2.66610253e-04 -1.34741610e-13 -1.70988601e-05] [-2.66610254e-04 1.70988604e-05 4.28969787e-13] [ 2.66610255e-04 1.70988613e-05 3.94499222e-13] [-2.66610253e-04 -1.70988596e-05 8.46844208e-13] [ 2.66610253e-04 -1.70988604e-05 4.99841921e-13]] Final stress: [ 1.85121712e-05 -3.58265493e-06 -3.58265493e-06 9.31023737e-17 4.65511869e-17 -2.82632206e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.37908793e-04 3.53393530e-14 1.60284112e-14] [ 1.37908792e-04 -1.37972966e-13 2.11219930e-14] [-2.17577692e-15 -5.00425440e-04 1.45877234e-13] [ 9.79216708e-14 5.00425442e-04 -2.27873276e-14] [ 1.08493076e-13 -7.38948833e-14 -1.37908793e-04] [ 9.99478278e-14 2.03725925e-14 1.37908792e-04] [-1.37908792e-04 -6.93364637e-14 8.69995760e-14] [ 1.37908793e-04 1.88650744e-13 -6.06227440e-14] [ 1.04997608e-13 -5.00425441e-04 -5.26498036e-14] [-1.41592033e-13 5.00425441e-04 -1.31730382e-13] [-1.14345599e-13 5.06227185e-14 -1.37908792e-04] [-1.44996862e-14 3.27155129e-14 1.37908792e-04] [-1.63918163e-04 5.32703432e-05 -1.63918163e-04] [ 1.63918163e-04 -5.32703428e-05 -1.63918163e-04] [ 1.63918163e-04 5.32703428e-05 1.63918163e-04] [-1.63918163e-04 -5.32703430e-05 1.63918162e-04] [-1.63918163e-04 5.32703429e-05 1.63918163e-04] [ 1.63918163e-04 -5.32703427e-05 1.63918163e-04] [-1.63918163e-04 -5.32703432e-05 -1.63918162e-04] [ 1.63918163e-04 5.32703431e-05 -1.63918163e-04] [-1.63918163e-04 5.32703431e-05 -1.63918163e-04] [ 1.63918163e-04 -5.32703431e-05 -1.63918163e-04] [ 1.63918162e-04 5.32703435e-05 1.63918162e-04] [-1.63918163e-04 -5.32703428e-05 1.63918163e-04] [-1.63918163e-04 5.32703432e-05 1.63918163e-04] [ 1.63918163e-04 -5.32703433e-05 1.63918163e-04] [-1.63918163e-04 -5.32703426e-05 -1.63918163e-04] [ 1.63918163e-04 5.32703433e-05 -1.63918163e-04] [ 7.64915908e-13 -9.63146229e-13 7.63805685e-13] [-6.53605642e-13 -1.82454817e-14 -3.81046056e-13] [-7.32081062e-13 -1.94096776e-04 -1.44751929e-05] [-1.58284150e-12 1.94096775e-04 -1.44751938e-05] [-4.09838830e-13 -1.94096776e-04 1.44751933e-05] [-9.15736237e-13 1.94096777e-04 1.44751925e-05] [-2.98287301e-04 -9.61009050e-13 -2.98287300e-04] [-2.98287302e-04 -9.03218472e-13 2.98287299e-04] [ 2.98287300e-04 -1.30524064e-13 -2.98287302e-04] [ 2.98287301e-04 1.59126184e-14 2.98287301e-04] [-1.44751940e-05 -1.94096775e-04 1.29340982e-13] [ 1.44751920e-05 -1.94096777e-04 -2.88605945e-13] [-1.44751931e-05 1.94096776e-04 2.88422064e-13] [ 1.44751920e-05 1.94096777e-04 -3.53632054e-13] [ 4.30376221e-13 -1.94096777e-04 -1.44751925e-05] [ 1.24460685e-12 1.94096777e-04 -1.44751925e-05] [ 2.92627901e-13 -1.94096776e-04 1.44751932e-05] [ 1.18495751e-12 1.94096776e-04 1.44751926e-05] [-2.98287300e-04 -4.61649332e-13 -2.98287301e-04] [-2.98287299e-04 2.12829537e-13 2.98287302e-04] [ 2.98287301e-04 -1.08431493e-12 -2.98287300e-04] [ 2.98287302e-04 -3.31374685e-13 2.98287300e-04] [-1.44751924e-05 -1.94096777e-04 6.48609728e-13] [ 1.44751946e-05 -1.94096774e-04 8.73519061e-13] [-1.44751923e-05 1.94096777e-04 3.16869804e-13] [ 1.44751929e-05 1.94096776e-04 1.31132518e-13]] Final stress: [-4.11379179e-06 1.80112695e-05 -4.11379179e-06 7.48144075e-17 1.11390340e-16 -9.80900009e-17] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.04958680e-04 -3.00558189e-14 4.69221016e-14] [ 3.04958679e-04 -6.50868248e-14 4.04676292e-14] [-4.49206644e-15 -3.04958680e-04 -1.90932339e-14] [ 8.88178420e-14 3.04958680e-04 3.52495810e-15] [ 1.45894581e-14 -7.55285591e-14 -5.40616827e-04] [ 2.07889261e-14 -4.55746552e-14 5.40616826e-04] [-3.04958680e-04 -5.14054944e-14 5.10730684e-14] [ 3.04958680e-04 2.22916303e-14 -2.31931585e-14] [-4.37614354e-14 -3.04958680e-04 -5.68420959e-14] [-7.69579712e-14 3.04958680e-04 -1.09562519e-13] [-8.32962171e-14 -1.80377106e-14 -5.40616827e-04] [-2.97986462e-14 -5.29972374e-14 5.40616827e-04] [-1.50387975e-04 -1.50387975e-04 7.75247375e-05] [ 1.50387975e-04 1.50387975e-04 7.75247377e-05] [ 1.50387975e-04 -1.50387975e-04 -7.75247376e-05] [-1.50387975e-04 1.50387975e-04 -7.75247375e-05] [-1.50387975e-04 -1.50387975e-04 -7.75247375e-05] [ 1.50387975e-04 1.50387975e-04 -7.75247375e-05] [-1.50387975e-04 1.50387975e-04 7.75247377e-05] [ 1.50387975e-04 -1.50387975e-04 7.75247375e-05] [-1.50387975e-04 -1.50387975e-04 7.75247374e-05] [ 1.50387975e-04 1.50387975e-04 7.75247374e-05] [ 1.50387975e-04 -1.50387975e-04 -7.75247377e-05] [-1.50387975e-04 1.50387975e-04 -7.75247374e-05] [-1.50387975e-04 -1.50387975e-04 -7.75247375e-05] [ 1.50387975e-04 1.50387975e-04 -7.75247375e-05] [-1.50387975e-04 1.50387975e-04 7.75247372e-05] [ 1.50387975e-04 -1.50387975e-04 7.75247375e-05] [ 4.79394302e-13 -4.89219776e-13 5.35294031e-13] [-4.88623898e-14 7.79780342e-14 -4.88100270e-13] [ 1.95288230e-13 -7.35224366e-05 -7.93174506e-05] [ 1.33417583e-13 7.35224370e-05 -7.93174502e-05] [ 3.16142945e-13 -7.35224383e-05 7.93174494e-05] [ 4.89084467e-13 7.35224397e-05 7.93174479e-05] [-7.35224405e-05 3.45390383e-13 -7.93174469e-05] [-7.35224417e-05 3.37084527e-13 7.93174459e-05] [ 7.35224409e-05 9.01050068e-14 -7.93174464e-05] [ 7.35224421e-05 4.04797723e-13 7.93174454e-05] [-2.95905973e-04 -2.95905975e-04 -3.53495011e-13] [ 2.95905973e-04 -2.95905975e-04 -7.75709358e-13] [-2.95905972e-04 2.95905976e-04 -3.89757671e-13] [ 2.95905973e-04 2.95905976e-04 -7.80752199e-13] [-2.40051468e-13 -7.35224420e-05 -7.93174454e-05] [-7.87625173e-14 7.35224414e-05 -7.93174460e-05] [-3.09243516e-13 -7.35224408e-05 7.93174464e-05] [-3.35595701e-13 7.35224407e-05 7.93174466e-05] [-7.35224393e-05 -5.74565276e-13 -7.93174482e-05] [-7.35224370e-05 -1.10574310e-13 7.93174502e-05] [ 7.35224385e-05 -7.31278319e-13 -7.93174490e-05] [ 7.35224369e-05 -2.68633640e-13 7.93174504e-05] [-2.95905976e-04 -2.95905972e-04 8.86170571e-13] [ 2.95905975e-04 -2.95905973e-04 1.07432429e-12] [-2.95905976e-04 2.95905972e-04 7.59061606e-13] [ 2.95905976e-04 2.95905972e-04 6.51314506e-13]] Final stress: [-4.24186031e-06 -4.24186031e-06 1.70068741e-05 5.32013564e-17 8.31271194e-17 -1.66254239e-16] Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[-3084.25165 4.65542 4.03362 -0. -0.00004 0.00021] [ 4.65542 -3084.23553 4.05653 -0.01475 -0. 0.00009] [ 4.03362 4.05653 -3084.55817 -0.00001 0.00069 -0. ] [ -0. -0.01475 -0.00001 0.23159 -0. 0. ] [ -0.00004 -0. 0.00069 -0. 0.23159 -0. ] [ 0.00021 0.00009 -0. 0. -0. 0.23159]] 95%% Error estimate [ASE units]: [[16364.42942 1643.41308 1704.42983 14.12791 0.0078 0.00412] [ 1643.41308 16364.76986 1706.50764 0.01978 12.76481 0.00631] [ 1704.42983 1706.50764 16357.96035 0.0093 0.00126 9.88632] [ 14.12791 0.01978 0.0093 0.00002 0. 0. ] [ 0.0078 12.76481 0.00126 0. 0. 0. ] [ 0.00412 0.00631 9.88632 0. 0. 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 8182.384928 is too big compared to maximum elastic constant component 3084.558172 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.621803 Attempting to compute elastic constants with method energy-condensed and step generator MaxStepGenerator(_base_step=0.01,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.91396439e-04 -2.26242636e-14 1.62235676e-14] [-3.91396440e-04 -1.82631688e-14 3.65263375e-14] [ 1.27846952e-14 -1.40082065e-02 1.31505050e-14] [ 1.51822999e-14 1.40082065e-02 1.12687637e-14] [ 2.75727791e-14 -2.20062683e-14 -1.40082065e-02] [ 2.52853294e-14 -2.13717932e-14 1.40082065e-02] [ 3.91396439e-04 5.93709110e-16 4.81819445e-16] [-3.91396439e-04 1.66099773e-15 -1.95529357e-14] [ 1.41210828e-14 -1.40082065e-02 -1.55032237e-14] [ 1.13971332e-14 1.40082065e-02 -1.26608793e-14] [-1.41063376e-14 3.07211795e-15 -1.40082065e-02] [-1.13711124e-15 2.92269137e-15 1.40082065e-02] [-3.51048158e-03 7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 -7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 -7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 7.76903524e-03 -7.76903524e-03] [ 3.51048158e-03 -7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 -7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 7.76903524e-03 7.76903524e-03] [-3.51048158e-03 7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 -7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 -7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 7.76903524e-03 -7.76903524e-03] [ 3.51048158e-03 -7.76903524e-03 -7.76903524e-03] [-3.51048158e-03 -7.76903524e-03 7.76903524e-03] [ 3.51048158e-03 7.76903524e-03 7.76903524e-03] [ 3.52218255e-14 3.41116024e-14 -4.87943019e-14] [ 5.30118484e-14 -2.33829953e-14 -4.06810114e-14] [ 2.66453526e-14 1.49019283e-02 1.49019283e-02] [ 5.86718174e-14 -1.49019283e-02 1.49019283e-02] [ 5.17606791e-14 1.49019283e-02 -1.49019283e-02] [ 4.27591990e-14 -1.49019283e-02 -1.49019283e-02] [-2.91256304e-03 -2.20934382e-14 2.28521350e-03] [-2.91256304e-03 -1.86170523e-14 -2.28521350e-03] [ 2.91256304e-03 -1.48405593e-14 2.28521350e-03] [ 2.91256304e-03 -2.65430039e-14 -2.28521350e-03] [-2.91256304e-03 2.28521350e-03 3.88578059e-14] [ 2.91256304e-03 2.28521350e-03 -1.21500032e-14] [-2.91256304e-03 -2.28521350e-03 3.20715676e-14] [ 2.91256304e-03 -2.28521350e-03 3.53762158e-14] [ 2.51283369e-14 1.49019283e-02 1.49019283e-02] [ 4.07313072e-14 -1.49019283e-02 1.49019283e-02] [-8.43726131e-15 1.49019283e-02 -1.49019283e-02] [-5.46307791e-15 -1.49019283e-02 -1.49019283e-02] [-2.91256304e-03 7.86343281e-15 2.28521350e-03] [-2.91256304e-03 1.88586126e-15 -2.28521350e-03] [ 2.91256304e-03 1.12908814e-14 2.28521350e-03] [ 2.91256304e-03 4.55364912e-17 -2.28521350e-03] [-2.91256304e-03 2.28521350e-03 -3.65308026e-14] [ 2.91256304e-03 2.28521350e-03 -2.52351240e-14] [-2.91256304e-03 -2.28521350e-03 -3.19010623e-14] [ 2.91256304e-03 -2.28521350e-03 -1.20116590e-14]] Final stress: [ 2.64643399e-03 6.92978938e-03 6.92978938e-03 -3.25986387e-18 -2.60789110e-17 -3.25986387e-18] Minimization converged after 21 steps. Minimization converged after 23 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.30237451e-02 -3.16630402e-15 3.17870730e-14] [ 6.30237451e-02 1.27953204e-14 -8.13238366e-15] [ 1.66589832e-14 -6.30237451e-02 -4.11086096e-15] [-1.47104551e-15 6.30237451e-02 1.68476344e-14] [-4.15553009e-15 7.11496834e-15 2.11425352e-02] [-1.50435220e-14 -2.00395256e-14 -2.11425352e-02] [-6.30237451e-02 2.60395004e-14 -2.50858718e-16] [ 6.30237451e-02 -4.87370561e-15 -6.80326087e-15] [-1.47668336e-15 -6.30237451e-02 -1.39868049e-14] [-2.14823818e-14 6.30237451e-02 -1.66235305e-14] [-3.51641459e-14 -4.61157627e-15 2.11425352e-02] [ 2.40237517e-14 2.21688867e-14 -2.11425352e-02] [-8.56679217e-03 -8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 -8.56679217e-03 3.85122535e-02] [-8.56679217e-03 8.56679217e-03 3.85122535e-02] [-8.56679217e-03 -8.56679217e-03 3.85122535e-02] [ 8.56679217e-03 8.56679217e-03 3.85122535e-02] [-8.56679217e-03 8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 -8.56679217e-03 -3.85122535e-02] [-8.56679217e-03 -8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 -8.56679217e-03 3.85122535e-02] [-8.56679217e-03 8.56679217e-03 3.85122535e-02] [-8.56679217e-03 -8.56679217e-03 3.85122535e-02] [ 8.56679217e-03 8.56679217e-03 3.85122535e-02] [-8.56679217e-03 8.56679217e-03 -3.85122535e-02] [ 8.56679217e-03 -8.56679217e-03 -3.85122535e-02] [ 5.14310816e-14 -3.89410726e-14 1.02001740e-13] [-4.80908716e-15 -1.45545729e-13 2.47673056e-14] [-4.19664303e-14 -8.79999054e-03 -1.80360696e-02] [-1.63671160e-14 8.79999054e-03 -1.80360696e-02] [-3.78620746e-14 -8.79999054e-03 1.80360696e-02] [-7.04505898e-14 8.79999054e-03 1.80360696e-02] [-8.79999054e-03 -1.43995926e-13 -1.80360696e-02] [-8.79999054e-03 -1.15008697e-13 1.80360696e-02] [ 8.79999054e-03 -2.18609852e-14 -1.80360696e-02] [ 8.79999054e-03 -5.16808818e-14 1.80360696e-02] [ 1.70397611e-02 1.70397611e-02 -4.44089210e-15] [-1.70397611e-02 1.70397611e-02 -1.24900090e-15] [ 1.70397611e-02 -1.70397611e-02 5.21284405e-15] [-1.70397611e-02 -1.70397611e-02 -1.49004073e-14] [ 1.60088956e-14 -8.79999054e-03 -1.80360696e-02] [ 7.38168207e-15 8.79999054e-03 -1.80360696e-02] [ 7.91233398e-14 -8.79999054e-03 1.80360696e-02] [ 9.30796239e-14 8.79999054e-03 1.80360696e-02] [-8.79999054e-03 -6.53903767e-14 -1.80360696e-02] [-8.79999054e-03 -8.12993336e-14 1.80360696e-02] [ 8.79999054e-03 -2.92431010e-14 -1.80360696e-02] [ 8.79999054e-03 6.63011313e-15 1.80360696e-02] [ 1.70397611e-02 1.70397611e-02 1.00570648e-13] [-1.70397611e-02 1.70397611e-02 7.06224901e-14] [ 1.70397611e-02 -1.70397611e-02 8.39068398e-14] [-1.70397611e-02 -1.70397611e-02 8.19613474e-14]] Final stress: [-4.51737672e-03 -4.51737672e-03 -8.22258626e-03 -8.48143340e-18 4.57997404e-17 3.05331602e-17] Minimization converged after 23 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.30242562e-02 3.55819974e-14 4.07631828e-14] [ 6.30242562e-02 3.76365605e-14 -1.97342143e-14] [ 1.81955145e-14 2.11436329e-02 1.26578435e-14] [-8.18789481e-15 -2.11436329e-02 1.49602553e-14] [ 4.67551345e-15 2.38220901e-15 -6.30242562e-02] [ 7.21644966e-16 -1.39610545e-14 6.30242562e-02] [-6.30242562e-02 6.26048692e-14 1.02567188e-15] [ 6.30242562e-02 3.71703536e-14 -5.27053620e-15] [-9.02619993e-15 2.11436329e-02 1.10954024e-14] [-8.88004947e-15 -2.11436329e-02 -6.51915487e-15] [ 1.64313008e-14 -3.83044975e-15 -6.30242562e-02] [ 1.01524691e-15 8.19499691e-15 6.30242562e-02] [-8.56705742e-03 -3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 -3.85127387e-02 8.56705742e-03] [-8.56705742e-03 3.85127387e-02 8.56705742e-03] [-8.56705742e-03 -3.85127387e-02 8.56705742e-03] [ 8.56705742e-03 3.85127387e-02 8.56705742e-03] [-8.56705742e-03 3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 -3.85127387e-02 -8.56705742e-03] [-8.56705742e-03 -3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 -3.85127387e-02 8.56705742e-03] [-8.56705742e-03 3.85127387e-02 8.56705742e-03] [-8.56705742e-03 -3.85127387e-02 8.56705742e-03] [ 8.56705742e-03 3.85127387e-02 8.56705742e-03] [-8.56705742e-03 3.85127387e-02 -8.56705742e-03] [ 8.56705742e-03 -3.85127387e-02 -8.56705742e-03] [ 3.82749388e-14 -6.72517597e-14 -5.10702591e-15] [-1.30711414e-14 1.57993108e-14 5.28271109e-14] [-5.77315973e-14 -1.80361488e-02 -8.80056074e-03] [-3.04825609e-14 1.80361488e-02 -8.80056074e-03] [ 1.23165367e-14 -1.80361488e-02 8.80056074e-03] [ 5.29003924e-14 1.80361488e-02 8.80056074e-03] [ 1.70396703e-02 -5.21804822e-15 1.70396703e-02] [ 1.70396703e-02 2.38871423e-14 -1.70396703e-02] [-1.70396703e-02 -6.73627820e-14 1.70396703e-02] [-1.70396703e-02 3.59445004e-14 -1.70396703e-02] [-8.80056074e-03 -1.80361488e-02 1.14130927e-13] [ 8.80056074e-03 -1.80361488e-02 6.30658720e-14] [-8.80056074e-03 1.80361488e-02 4.02473194e-14] [ 8.80056074e-03 1.80361488e-02 3.69582837e-14] [-6.19929455e-14 -1.80361488e-02 -8.80056074e-03] [-1.56315932e-14 1.80361488e-02 -8.80056074e-03] [ 1.18232681e-13 -1.80361488e-02 8.80056074e-03] [ 6.75991381e-14 1.80361488e-02 8.80056074e-03] [ 1.70396703e-02 1.97220096e-14 1.70396703e-02] [ 1.70396703e-02 7.66997143e-15 -1.70396703e-02] [-1.70396703e-02 2.34525940e-14 1.70396703e-02] [-1.70396703e-02 2.41213299e-15 -1.70396703e-02] [-8.80056074e-03 -1.80361488e-02 -2.66429366e-15] [ 8.80056074e-03 -1.80361488e-02 2.33699507e-14] [-8.80056074e-03 1.80361488e-02 6.39665187e-14] [ 8.80056074e-03 1.80361488e-02 3.93456968e-14]] Final stress: [-4.51738301e-03 -8.22259543e-03 -4.51738301e-03 2.37480135e-17 2.37480135e-17 1.01777201e-16] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 62 steps. Minimization converged after 62 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 62 steps. Minimization converged after 61 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.40082065e-02 -2.69740827e-14 2.64488952e-14] [ 1.40082065e-02 -4.50750548e-14 1.73194792e-14] [ 2.52575738e-14 3.91396440e-04 2.14702388e-14] [ 3.47222251e-14 -3.91396440e-04 4.60742555e-15] [ 1.80632419e-14 -3.60137267e-14 -1.40082065e-02] [-3.27515792e-15 -1.89015470e-14 1.40082065e-02] [-1.40082065e-02 -3.11556336e-15 8.32884109e-15] [ 1.40082065e-02 -1.14678232e-14 1.05431553e-14] [-1.64321681e-15 3.91396440e-04 -6.70822065e-15] [ 7.47145401e-15 -3.91396440e-04 6.93119891e-15] [-9.59518923e-15 -1.31611661e-14 -1.40082065e-02] [ 8.07513778e-16 -1.11462848e-14 1.40082065e-02] [ 7.76903524e-03 -3.51048158e-03 7.76903524e-03] [-7.76903524e-03 3.51048158e-03 7.76903524e-03] [-7.76903524e-03 -3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 -3.51048158e-03 -7.76903524e-03] [-7.76903524e-03 3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 3.51048158e-03 7.76903524e-03] [-7.76903524e-03 -3.51048158e-03 7.76903524e-03] [ 7.76903524e-03 -3.51048158e-03 7.76903524e-03] [-7.76903524e-03 3.51048158e-03 7.76903524e-03] [-7.76903524e-03 -3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 -3.51048158e-03 -7.76903524e-03] [-7.76903524e-03 3.51048158e-03 -7.76903524e-03] [ 7.76903524e-03 3.51048158e-03 7.76903524e-03] [-7.76903524e-03 -3.51048158e-03 7.76903524e-03] [-4.11892742e-14 -5.00710584e-14 6.10622664e-16] [ 4.53239876e-14 1.62594428e-14 2.43535572e-14] [ 6.67244038e-14 -2.91256304e-03 2.28521350e-03] [ 5.16912901e-14 2.91256304e-03 2.28521350e-03] [ 3.36224104e-14 -2.91256304e-03 -2.28521350e-03] [ 1.99753408e-14 2.91256304e-03 -2.28521350e-03] [ 1.49019283e-02 -1.15463195e-14 1.49019283e-02] [ 1.49019283e-02 -2.61665689e-14 -1.49019283e-02] [-1.49019283e-02 3.85420862e-14 1.49019283e-02] [-1.49019283e-02 -3.22658567e-16 -1.49019283e-02] [ 2.28521350e-03 -2.91256304e-03 2.14273044e-14] [-2.28521350e-03 -2.91256304e-03 -1.39645240e-15] [ 2.28521350e-03 2.91256304e-03 2.18106783e-14] [-2.28521350e-03 2.91256304e-03 3.49529433e-14] [ 3.00935492e-14 -2.91256304e-03 2.28521350e-03] [ 3.37412390e-14 2.91256304e-03 2.28521350e-03] [ 9.84715781e-15 -2.91256304e-03 -2.28521350e-03] [-9.71965564e-15 2.91256304e-03 -2.28521350e-03] [ 1.49019283e-02 2.32778279e-14 1.49019283e-02] [ 1.49019283e-02 -2.52339382e-14 -1.49019283e-02] [-1.49019283e-02 2.17712133e-14 1.49019283e-02] [-1.49019283e-02 2.53013756e-14 -1.49019283e-02] [ 2.28521350e-03 -2.91256304e-03 -5.14592891e-15] [-2.28521350e-03 -2.91256304e-03 -6.60929644e-16] [ 2.28521350e-03 2.91256304e-03 5.60056829e-15] [-2.28521350e-03 2.91256304e-03 2.81424190e-14]] Final stress: [ 6.92978938e-03 2.64643399e-03 6.92978938e-03 -1.14095236e-17 7.17170052e-17 3.25986387e-18] Minimization converged after 21 steps. Minimization converged after 23 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.11432821e-02 -2.53260954e-14 -2.00356225e-14] [-2.11432821e-02 -5.82867088e-15 5.55111512e-17] [ 7.09501902e-15 -6.30240678e-02 -4.25505985e-15] [ 1.52100554e-14 6.30240678e-02 -2.12330153e-14] [ 3.67544536e-14 3.95018220e-15 -6.30240678e-02] [ 7.91033905e-15 -5.57887070e-15 6.30240678e-02] [ 2.11432821e-02 7.51048529e-15 -2.98775897e-14] [-2.11432821e-02 5.76444274e-14 5.89405602e-15] [-4.67030928e-15 -6.30240678e-02 9.25958189e-15] [-7.48750020e-15 6.30240678e-02 1.21840704e-14] [-2.23271922e-14 5.22558429e-15 -6.30240678e-02] [-2.67698190e-14 4.08373741e-14 6.30240678e-02] [-3.85125753e-02 -8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 -8.56697075e-03 8.56697075e-03] [-3.85125753e-02 8.56697075e-03 8.56697075e-03] [-3.85125753e-02 -8.56697075e-03 8.56697075e-03] [ 3.85125753e-02 8.56697075e-03 8.56697075e-03] [-3.85125753e-02 8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 -8.56697075e-03 -8.56697075e-03] [-3.85125753e-02 -8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 -8.56697075e-03 8.56697075e-03] [-3.85125753e-02 8.56697075e-03 8.56697075e-03] [-3.85125753e-02 -8.56697075e-03 8.56697075e-03] [ 3.85125753e-02 8.56697075e-03 8.56697075e-03] [-3.85125753e-02 8.56697075e-03 -8.56697075e-03] [ 3.85125753e-02 -8.56697075e-03 -8.56697075e-03] [ 4.68236561e-14 -1.08107967e-13 5.97299987e-14] [-9.23579789e-14 3.48813656e-14 5.52912260e-14] [-5.91748872e-14 1.70396874e-02 1.70396874e-02] [-1.79214282e-14 -1.70396874e-02 1.70396874e-02] [ 4.02108902e-15 1.70396874e-02 -1.70396874e-02] [-1.76472742e-14 -1.70396874e-02 -1.70396874e-02] [-1.80361276e-02 -2.22044605e-14 -8.80039392e-03] [-1.80361276e-02 3.52495810e-14 8.80039392e-03] [ 1.80361276e-02 -5.20590515e-14 -8.80039392e-03] [ 1.80361276e-02 -9.37184358e-14 8.80039392e-03] [-1.80361276e-02 -8.80039392e-03 1.84297022e-14] [ 1.80361276e-02 -8.80039392e-03 -2.43329662e-14] [-1.80361276e-02 8.80039392e-03 6.37111891e-14] [ 1.80361276e-02 8.80039392e-03 -5.62466740e-14] [ 8.10454134e-14 1.70396874e-02 1.70396874e-02] [ 2.33242245e-14 -1.70396874e-02 1.70396874e-02] [ 1.32207613e-14 1.70396874e-02 -1.70396874e-02] [ 2.95735658e-14 -1.70396874e-02 -1.70396874e-02] [-1.80361276e-02 -2.64263112e-14 -8.80039392e-03] [-1.80361276e-02 6.69278001e-16 8.80039392e-03] [ 1.80361276e-02 -1.15177399e-13 -8.80039392e-03] [ 1.80361276e-02 -1.65956658e-14 8.80039392e-03] [-1.80361276e-02 -8.80039392e-03 3.32435824e-14] [ 1.80361276e-02 -8.80039392e-03 -1.15040356e-14] [-1.80361276e-02 8.80039392e-03 -1.63907787e-14] [ 1.80361276e-02 8.80039392e-03 4.17573962e-14]] Final stress: [-8.22259207e-03 -4.51738075e-03 -4.51738075e-03 -3.56220203e-17 -1.18740068e-17 -8.48143340e-18] Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 62 steps. Minimization converged after 62 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 62 steps. Minimization converged after 62 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.40082065e-02 -1.49884445e-14 6.42324735e-15] [ 1.40082065e-02 -1.57374114e-14 8.60422844e-15] [ 2.04003481e-14 -1.40082065e-02 7.19606666e-15] [ 1.96231920e-14 1.40082065e-02 4.49640325e-15] [-1.42212631e-14 -7.29711430e-15 3.91396440e-04] [-3.58046925e-15 3.88578059e-16 -3.91396440e-04] [-1.40082065e-02 3.11773177e-15 4.41231440e-15] [ 1.40082065e-02 3.88144378e-15 3.00542638e-15] [ 1.23642416e-14 -1.40082065e-02 7.03087948e-15] [ 1.03740801e-14 1.40082065e-02 7.30497477e-15] [-1.34770667e-14 1.13753593e-14 3.91396440e-04] [-1.09157475e-14 1.39147856e-14 -3.91396439e-04] [ 7.76903524e-03 7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 -7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 -7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 7.76903524e-03 3.51048158e-03] [-7.76903524e-03 -7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 -7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 7.76903524e-03 -3.51048158e-03] [ 7.76903524e-03 7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 -7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 -7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 7.76903524e-03 3.51048158e-03] [-7.76903524e-03 -7.76903524e-03 3.51048158e-03] [ 7.76903524e-03 -7.76903524e-03 -3.51048158e-03] [-7.76903524e-03 7.76903524e-03 -3.51048158e-03] [-4.73510120e-14 8.32667268e-15 4.27990976e-14] [ 7.52436308e-16 2.53115852e-14 1.60822151e-15] [ 1.18793864e-14 2.28521350e-03 -2.91256304e-03] [ 2.57589089e-14 -2.28521350e-03 -2.91256304e-03] [ 2.94868296e-14 2.28521350e-03 2.91256304e-03] [ 2.29989638e-14 -2.28521350e-03 2.91256304e-03] [ 2.28521350e-03 9.99200722e-16 -2.91256304e-03] [ 2.28521350e-03 -3.30291350e-15 2.91256304e-03] [-2.28521350e-03 2.10768902e-15 -2.91256304e-03] [-2.28521350e-03 -9.33454702e-15 2.91256304e-03] [ 1.49019283e-02 1.49019283e-02 1.94289029e-14] [-1.49019283e-02 1.49019283e-02 -1.49030094e-14] [ 1.49019283e-02 -1.49019283e-02 -1.36453349e-14] [-1.49019283e-02 -1.49019283e-02 -4.23099056e-15] [-1.46987457e-14 2.28521350e-03 -2.91256304e-03] [ 1.50235727e-14 -2.28521350e-03 -2.91256304e-03] [ 2.11376056e-15 2.28521350e-03 2.91256304e-03] [-1.40209025e-14 -2.28521350e-03 2.91256304e-03] [ 2.28521350e-03 -7.86737407e-15 -2.91256304e-03] [ 2.28521350e-03 -2.13316777e-14 2.91256304e-03] [-2.28521350e-03 -2.53967854e-14 -2.91256304e-03] [-2.28521350e-03 -3.06304461e-14 2.91256304e-03] [ 1.49019283e-02 1.49019283e-02 2.94593921e-14] [-1.49019283e-02 1.49019283e-02 2.23341311e-14] [ 1.49019283e-02 -1.49019283e-02 9.08116254e-15] [-1.49019283e-02 -1.49019283e-02 1.15823150e-14]] Final stress: [ 6.92978938e-03 6.92978938e-03 2.64643399e-03 -1.62993194e-17 -2.60789110e-17 -0.00000000e+00] Minimization converged after 21 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 61 steps. Minimization converged after 61 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 62 steps. Minimization converged after 61 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.82734650e-04 6.03946767e-06 4.87685245e-03] [ 2.82734650e-04 -6.03946770e-06 -4.87685245e-03] [ 6.03946769e-06 -2.82734650e-04 4.87685245e-03] [-6.03946769e-06 2.82734650e-04 -4.87685245e-03] [-9.68023272e-04 -9.68023272e-04 -7.47443486e-04] [ 9.68023272e-04 9.68023272e-04 7.47443486e-04] [-2.82734650e-04 6.03946770e-06 4.87685245e-03] [ 2.82734650e-04 -6.03946768e-06 -4.87685245e-03] [ 6.03946770e-06 -2.82734650e-04 4.87685245e-03] [-6.03946770e-06 2.82734650e-04 -4.87685245e-03] [-9.68023272e-04 -9.68023272e-04 -7.47443486e-04] [ 9.68023272e-04 9.68023272e-04 7.47443486e-04] [ 1.04036789e-03 1.04036789e-03 -1.20358638e-03] [ 7.40667559e-04 7.40667559e-04 2.83113184e-03] [-2.09141463e-03 -2.73961215e-03 -2.58542522e-03] [-2.73961215e-03 -2.09141463e-03 -2.58542522e-03] [-7.40667559e-04 -7.40667559e-04 -2.83113184e-03] [-1.04036789e-03 -1.04036789e-03 1.20358638e-03] [ 2.09141463e-03 2.73961215e-03 2.58542522e-03] [ 2.73961215e-03 2.09141463e-03 2.58542522e-03] [ 1.04036789e-03 1.04036789e-03 -1.20358638e-03] [ 7.40667559e-04 7.40667559e-04 2.83113184e-03] [-2.09141463e-03 -2.73961215e-03 -2.58542522e-03] [-2.73961215e-03 -2.09141463e-03 -2.58542522e-03] [-7.40667559e-04 -7.40667559e-04 -2.83113184e-03] [-1.04036789e-03 -1.04036789e-03 1.20358638e-03] [ 2.09141463e-03 2.73961215e-03 2.58542522e-03] [ 2.73961215e-03 2.09141463e-03 2.58542522e-03] [-1.06831211e-13 -6.02295991e-15 2.44249065e-14] [ 8.15935861e-14 -7.07620514e-15 -6.24109901e-14] [ 4.84778113e-03 -1.81261364e-03 3.36095612e-03] [ 2.99066982e-03 2.69431801e-04 4.07377764e-05] [-2.99066982e-03 -2.69431801e-04 -4.07377765e-05] [-4.84778113e-03 1.81261364e-03 -3.36095612e-03] [-1.81261364e-03 4.84778113e-03 3.36095611e-03] [-2.69431800e-04 -2.99066982e-03 -4.07377757e-05] [ 2.69431800e-04 2.99066982e-03 4.07377758e-05] [ 1.81261364e-03 -4.84778113e-03 -3.36095611e-03] [-3.86304012e-03 -3.86304012e-03 -3.37169990e-03] [-1.33104656e-03 1.33104656e-03 -1.79556023e-13] [ 1.33104656e-03 -1.33104656e-03 1.27522992e-13] [ 3.86304012e-03 3.86304012e-03 3.37169990e-03] [ 4.84778113e-03 -1.81261364e-03 3.36095611e-03] [ 2.99066982e-03 2.69431801e-04 4.07377758e-05] [-2.99066982e-03 -2.69431800e-04 -4.07377757e-05] [-4.84778113e-03 1.81261364e-03 -3.36095611e-03] [-1.81261364e-03 4.84778113e-03 3.36095612e-03] [-2.69431801e-04 -2.99066982e-03 -4.07377764e-05] [ 2.69431801e-04 2.99066982e-03 4.07377764e-05] [ 1.81261364e-03 -4.84778113e-03 -3.36095612e-03] [-3.86304012e-03 -3.86304012e-03 -3.37169990e-03] [-1.33104656e-03 1.33104656e-03 1.06126913e-13] [ 1.33104656e-03 -1.33104656e-03 5.90933552e-14] [ 3.86304012e-03 3.86304012e-03 3.37169990e-03]] Final stress: [-0.0001935 -0.0001935 -0.00014398 0.00464909 0.00464909 -0.00011581] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.88173475e-04 -4.73613681e-06 -4.89234535e-03] [ 2.88173475e-04 4.73613688e-06 4.89234535e-03] [-4.73613683e-06 -2.88173475e-04 4.89234535e-03] [ 4.73613688e-06 2.88173475e-04 -4.89234535e-03] [ 9.60175194e-04 -9.60175194e-04 -7.55566492e-04] [-9.60175194e-04 9.60175194e-04 7.55566492e-04] [-2.88173475e-04 -4.73613680e-06 -4.89234535e-03] [ 2.88173475e-04 4.73613692e-06 4.89234535e-03] [-4.73613684e-06 -2.88173475e-04 4.89234535e-03] [ 4.73613689e-06 2.88173475e-04 -4.89234535e-03] [ 9.60175194e-04 -9.60175194e-04 -7.55566492e-04] [-9.60175194e-04 9.60175194e-04 7.55566492e-04] [-2.72587462e-03 2.08327610e-03 2.60328568e-03] [-2.08327610e-03 2.72587462e-03 2.60328568e-03] [ 7.53284743e-04 -7.53284743e-04 -2.82482093e-03] [ 1.06451795e-03 -1.06451795e-03 1.20878987e-03] [ 2.08327610e-03 -2.72587462e-03 -2.60328568e-03] [ 2.72587462e-03 -2.08327610e-03 -2.60328568e-03] [-7.53284743e-04 7.53284743e-04 2.82482093e-03] [-1.06451795e-03 1.06451795e-03 -1.20878987e-03] [-2.72587462e-03 2.08327610e-03 2.60328568e-03] [-2.08327610e-03 2.72587462e-03 2.60328568e-03] [ 7.53284743e-04 -7.53284743e-04 -2.82482093e-03] [ 1.06451795e-03 -1.06451795e-03 1.20878987e-03] [ 2.08327610e-03 -2.72587462e-03 -2.60328568e-03] [ 2.72587462e-03 -2.08327610e-03 -2.60328568e-03] [-7.53284743e-04 7.53284743e-04 2.82482093e-03] [-1.06451795e-03 1.06451795e-03 -1.20878987e-03] [-1.09107168e-13 8.75688411e-14 8.88178420e-16] [ 5.61317486e-14 -9.21186464e-14 9.91164311e-14] [-4.86285138e-03 -1.80121624e-03 3.35042829e-03] [-2.98598940e-03 2.56872483e-04 2.85541470e-05] [ 2.98598940e-03 -2.56872483e-04 -2.85541469e-05] [ 4.86285138e-03 1.80121623e-03 -3.35042829e-03] [-2.56872482e-04 2.98598940e-03 2.85541459e-05] [-1.80121623e-03 -4.86285138e-03 -3.35042829e-03] [ 1.80121623e-03 4.86285138e-03 3.35042829e-03] [ 2.56872482e-04 -2.98598940e-03 -2.85541460e-05] [ 1.34377938e-03 1.34377938e-03 -4.77395901e-14] [ 3.87592793e-03 -3.87592793e-03 -3.37289988e-03] [-3.87592793e-03 3.87592793e-03 3.37289988e-03] [-1.34377938e-03 -1.34377938e-03 2.00636383e-13] [-4.86285138e-03 -1.80121623e-03 3.35042829e-03] [-2.98598940e-03 2.56872482e-04 2.85541460e-05] [ 2.98598940e-03 -2.56872482e-04 -2.85541460e-05] [ 4.86285138e-03 1.80121623e-03 -3.35042829e-03] [-2.56872483e-04 2.98598940e-03 2.85541470e-05] [-1.80121624e-03 -4.86285138e-03 -3.35042829e-03] [ 1.80121623e-03 4.86285138e-03 3.35042829e-03] [ 2.56872483e-04 -2.98598940e-03 -2.85541470e-05] [ 1.34377938e-03 1.34377938e-03 -7.43697911e-14] [ 3.87592793e-03 -3.87592793e-03 -3.37289988e-03] [-3.87592793e-03 3.87592793e-03 3.37289988e-03] [-1.34377938e-03 -1.34377938e-03 -1.05488968e-13]] Final stress: [-0.00019355 -0.00019355 -0.00014395 0.0046492 -0.0046492 0.00011581] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.89614486e-04 -4.46139800e-06 4.89716543e-03] [ 2.89614486e-04 4.46139796e-06 -4.89716543e-03] [-4.46139797e-06 -2.89614486e-04 -4.89716543e-03] [ 4.46139797e-06 2.89614486e-04 4.89716543e-03] [-9.57428990e-04 9.57428990e-04 -7.57733454e-04] [ 9.57428990e-04 -9.57428990e-04 7.57733454e-04] [-2.89614486e-04 -4.46139799e-06 4.89716543e-03] [ 2.89614486e-04 4.46139796e-06 -4.89716543e-03] [-4.46139799e-06 -2.89614486e-04 -4.89716543e-03] [ 4.46139799e-06 2.89614486e-04 4.89716543e-03] [-9.57428990e-04 9.57428990e-04 -7.57733454e-04] [ 9.57428990e-04 -9.57428990e-04 7.57733454e-04] [ 2.08030543e-03 -2.72153185e-03 2.60820419e-03] [ 2.72153185e-03 -2.08030543e-03 2.60820419e-03] [-1.07162509e-03 1.07162509e-03 1.21041324e-03] [-7.57027143e-04 7.57027143e-04 -2.82335832e-03] [-2.72153185e-03 2.08030543e-03 -2.60820419e-03] [-2.08030543e-03 2.72153185e-03 -2.60820419e-03] [ 1.07162509e-03 -1.07162509e-03 -1.21041324e-03] [ 7.57027143e-04 -7.57027143e-04 2.82335832e-03] [ 2.08030543e-03 -2.72153185e-03 2.60820419e-03] [ 2.72153185e-03 -2.08030543e-03 2.60820419e-03] [-1.07162509e-03 1.07162509e-03 1.21041324e-03] [-7.57027143e-04 7.57027143e-04 -2.82335832e-03] [-2.72153185e-03 2.08030543e-03 -2.60820419e-03] [-2.08030543e-03 2.72153185e-03 -2.60820419e-03] [ 1.07162509e-03 -1.07162509e-03 -1.21041324e-03] [ 7.57027143e-04 -7.57027143e-04 2.82335832e-03] [-6.07291994e-14 2.02615702e-15 -7.52176099e-15] [-4.83580190e-14 -8.44933009e-14 -2.84610897e-14] [ 2.98457440e-03 -2.53300796e-04 2.48227443e-05] [ 4.86666617e-03 1.79767501e-03 3.34719662e-03] [-4.86666617e-03 -1.79767501e-03 -3.34719662e-03] [-2.98457440e-03 2.53300796e-04 -2.48227443e-05] [-1.79767501e-03 -4.86666617e-03 3.34719662e-03] [-2.53300797e-04 2.98457440e-03 -2.48227452e-05] [ 2.53300797e-04 -2.98457440e-03 2.48227452e-05] [ 1.79767501e-03 4.86666617e-03 -3.34719662e-03] [ 1.34723125e-03 1.34723125e-03 -5.77315973e-15] [ 3.87947087e-03 -3.87947087e-03 3.37379620e-03] [-3.87947087e-03 3.87947087e-03 -3.37379620e-03] [-1.34723125e-03 -1.34723124e-03 7.23622551e-14] [ 2.98457440e-03 -2.53300797e-04 2.48227451e-05] [ 4.86666617e-03 1.79767501e-03 3.34719662e-03] [-4.86666617e-03 -1.79767501e-03 -3.34719662e-03] [-2.98457440e-03 2.53300797e-04 -2.48227452e-05] [-1.79767501e-03 -4.86666617e-03 3.34719662e-03] [-2.53300796e-04 2.98457440e-03 -2.48227443e-05] [ 2.53300796e-04 -2.98457440e-03 2.48227444e-05] [ 1.79767501e-03 4.86666617e-03 -3.34719662e-03] [ 1.34723124e-03 1.34723125e-03 1.00326176e-13] [ 3.87947087e-03 -3.87947087e-03 3.37379620e-03] [-3.87947087e-03 3.87947087e-03 -3.37379620e-03] [-1.34723124e-03 -1.34723125e-03 -6.42975256e-15]] Final stress: [-0.00019357 -0.00019357 -0.00014394 -0.00464923 0.00464923 0.00011581] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.90560360e-04 4.22305713e-06 -4.89984464e-03] [ 2.90560360e-04 -4.22305718e-06 4.89984464e-03] [ 4.22305717e-06 -2.90560360e-04 -4.89984464e-03] [-4.22305715e-06 2.90560360e-04 4.89984464e-03] [ 9.56092558e-04 9.56092558e-04 -7.59123110e-04] [-9.56092558e-04 -9.56092558e-04 7.59123110e-04] [-2.90560360e-04 4.22305716e-06 -4.89984464e-03] [ 2.90560360e-04 -4.22305718e-06 4.89984464e-03] [ 4.22305719e-06 -2.90560360e-04 -4.89984464e-03] [-4.22305717e-06 2.90560360e-04 4.89984464e-03] [ 9.56092558e-04 9.56092558e-04 -7.59123110e-04] [-9.56092558e-04 -9.56092558e-04 7.59123110e-04] [-7.59230674e-04 -7.59230674e-04 2.82228573e-03] [-1.07587917e-03 -1.07587917e-03 -1.21128543e-03] [ 2.71914702e-03 2.07884419e-03 -2.61130450e-03] [ 2.07884419e-03 2.71914702e-03 -2.61130450e-03] [ 1.07587917e-03 1.07587917e-03 1.21128543e-03] [ 7.59230674e-04 7.59230674e-04 -2.82228573e-03] [-2.71914702e-03 -2.07884419e-03 2.61130450e-03] [-2.07884419e-03 -2.71914702e-03 2.61130450e-03] [-7.59230674e-04 -7.59230674e-04 2.82228573e-03] [-1.07587917e-03 -1.07587917e-03 -1.21128543e-03] [ 2.71914702e-03 2.07884419e-03 -2.61130450e-03] [ 2.07884419e-03 2.71914702e-03 -2.61130450e-03] [ 1.07587917e-03 1.07587917e-03 1.21128543e-03] [ 7.59230674e-04 7.59230674e-04 -2.82228573e-03] [-2.71914702e-03 -2.07884419e-03 2.61130450e-03] [-2.07884419e-03 -2.71914702e-03 2.61130450e-03] [-7.25808302e-14 -2.54518628e-14 -1.51462176e-13] [ 4.80037017e-14 1.00687526e-15 4.70403000e-14] [-2.98377587e-03 -2.51172865e-04 2.26261218e-05] [-4.86928915e-03 1.79562969e-03 3.34540269e-03] [ 4.86928915e-03 -1.79562969e-03 -3.34540269e-03] [ 2.98377587e-03 2.51172864e-04 -2.26261219e-05] [-2.51172864e-04 -2.98377587e-03 2.26261217e-05] [-1.79562969e-03 4.86928915e-03 -3.34540269e-03] [ 1.79562969e-03 -4.86928915e-03 3.34540269e-03] [ 2.51172864e-04 2.98377587e-03 -2.26261217e-05] [-3.88171811e-03 -3.88171811e-03 3.37403766e-03] [-1.34942743e-03 1.34942743e-03 1.54879581e-13] [ 1.34942743e-03 -1.34942743e-03 7.00169089e-14] [ 3.88171811e-03 3.88171811e-03 -3.37403766e-03] [-2.98377587e-03 -2.51172864e-04 2.26261217e-05] [-4.86928915e-03 1.79562969e-03 3.34540269e-03] [ 4.86928915e-03 -1.79562969e-03 -3.34540269e-03] [ 2.98377587e-03 2.51172864e-04 -2.26261218e-05] [-2.51172865e-04 -2.98377587e-03 2.26261219e-05] [-1.79562969e-03 4.86928915e-03 -3.34540269e-03] [ 1.79562969e-03 -4.86928915e-03 3.34540269e-03] [ 2.51172865e-04 2.98377587e-03 -2.26261218e-05] [-3.88171811e-03 -3.88171811e-03 3.37403766e-03] [-1.34942743e-03 1.34942743e-03 -2.22303079e-13] [ 1.34942743e-03 -1.34942743e-03 -1.62148073e-13] [ 3.88171811e-03 3.88171811e-03 -3.37403766e-03]] Final stress: [-0.00019357 -0.00019357 -0.00014393 -0.00464925 -0.00464925 -0.00011582] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.90311852e-04 4.89844663e-03 4.21984051e-06] [ 2.90311852e-04 -4.89844663e-03 -4.21984043e-06] [-9.57117477e-04 -7.58726146e-04 -9.57117477e-04] [ 9.57117477e-04 7.58726146e-04 9.57117477e-04] [ 4.21984046e-06 4.89844663e-03 -2.90311852e-04] [-4.21984047e-06 -4.89844663e-03 2.90311852e-04] [-2.90311852e-04 4.89844663e-03 4.21984051e-06] [ 2.90311852e-04 -4.89844663e-03 -4.21984044e-06] [-9.57117477e-04 -7.58726146e-04 -9.57117477e-04] [ 9.57117477e-04 7.58726146e-04 9.57117477e-04] [ 4.21984046e-06 4.89844663e-03 -2.90311852e-04] [-4.21984046e-06 -4.89844663e-03 2.90311852e-04] [ 1.07419644e-03 -1.21079747e-03 1.07419644e-03] [-2.07991942e-03 -2.61034097e-03 -2.72041788e-03] [ 7.58301368e-04 2.82239078e-03 7.58301368e-04] [-2.72041788e-03 -2.61034097e-03 -2.07991942e-03] [ 2.07991942e-03 2.61034097e-03 2.72041788e-03] [-1.07419644e-03 1.21079747e-03 -1.07419644e-03] [-7.58301368e-04 -2.82239078e-03 -7.58301368e-04] [ 2.72041788e-03 2.61034097e-03 2.07991942e-03] [ 1.07419644e-03 -1.21079747e-03 1.07419644e-03] [-2.07991942e-03 -2.61034097e-03 -2.72041788e-03] [ 7.58301368e-04 2.82239078e-03 7.58301368e-04] [-2.72041788e-03 -2.61034097e-03 -2.07991942e-03] [ 2.07991942e-03 2.61034097e-03 2.72041788e-03] [-1.07419644e-03 1.21079747e-03 -1.07419644e-03] [-7.58301368e-04 -2.82239078e-03 -7.58301368e-04] [ 2.72041788e-03 2.61034097e-03 2.07991942e-03] [-6.23945340e-14 -6.02295991e-15 -5.02098363e-14] [ 2.18735620e-14 -1.48304085e-14 -7.49270776e-15] [ 4.86878557e-03 3.34623173e-03 -1.79648461e-03] [-2.98416377e-03 -2.35025539e-05 -2.51948764e-04] [ 2.98416377e-03 2.35025539e-05 2.51948764e-04] [-4.86878557e-03 -3.34623173e-03 1.79648461e-03] [-3.88103163e-03 -3.37349388e-03 -3.88103163e-03] [ 1.34878201e-03 -2.36437606e-13 -1.34878201e-03] [-1.34878201e-03 8.06542333e-14 1.34878201e-03] [ 3.88103163e-03 3.37349388e-03 3.88103163e-03] [-1.79648462e-03 3.34623174e-03 4.86878557e-03] [ 2.51948766e-04 2.35025565e-05 2.98416377e-03] [-2.51948766e-04 -2.35025565e-05 -2.98416377e-03] [ 1.79648462e-03 -3.34623174e-03 -4.86878557e-03] [ 4.86878557e-03 3.34623174e-03 -1.79648462e-03] [-2.98416377e-03 -2.35025565e-05 -2.51948766e-04] [ 2.98416377e-03 2.35025565e-05 2.51948766e-04] [-4.86878557e-03 -3.34623174e-03 1.79648462e-03] [-3.88103163e-03 -3.37349388e-03 -3.88103163e-03] [ 1.34878201e-03 2.77548817e-13 -1.34878201e-03] [-1.34878201e-03 -5.58559275e-14 1.34878201e-03] [ 3.88103163e-03 3.37349388e-03 3.88103163e-03] [-1.79648461e-03 3.34623173e-03 4.86878557e-03] [ 2.51948764e-04 2.35025540e-05 2.98416377e-03] [-2.51948764e-04 -2.35025539e-05 -2.98416377e-03] [ 1.79648461e-03 -3.34623173e-03 -4.86878557e-03]] Final stress: [-0.00019357 -0.00014394 -0.00019357 0.00464924 -0.00011582 0.00464924] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.88533301e-04 -4.89328331e-03 -4.63281797e-06] [ 2.88533301e-04 4.89328331e-03 4.63281797e-06] [ 9.59739160e-04 -7.56091245e-04 -9.59739160e-04] [-9.59739160e-04 7.56091245e-04 9.59739160e-04] [-4.63281796e-06 4.89328331e-03 -2.88533301e-04] [ 4.63281794e-06 -4.89328331e-03 2.88533301e-04] [-2.88533301e-04 -4.89328331e-03 -4.63281796e-06] [ 2.88533301e-04 4.89328331e-03 4.63281799e-06] [ 9.59739160e-04 -7.56091245e-04 -9.59739160e-04] [-9.59739160e-04 7.56091245e-04 9.59739160e-04] [-4.63281799e-06 4.89328331e-03 -2.88533301e-04] [ 4.63281795e-06 -4.89328331e-03 2.88533301e-04] [-2.72506051e-03 2.60443096e-03 2.08282988e-03] [ 7.54068683e-04 -2.82439073e-03 -7.54068684e-04] [-2.08282988e-03 2.60443096e-03 2.72506051e-03] [ 1.06603254e-03 1.20909153e-03 -1.06603254e-03] [-7.54068684e-04 2.82439073e-03 7.54068683e-04] [ 2.72506051e-03 -2.60443096e-03 -2.08282988e-03] [ 2.08282988e-03 -2.60443096e-03 -2.72506051e-03] [-1.06603254e-03 -1.20909153e-03 1.06603254e-03] [-2.72506051e-03 2.60443096e-03 2.08282988e-03] [ 7.54068683e-04 -2.82439073e-03 -7.54068684e-04] [-2.08282988e-03 2.60443096e-03 2.72506051e-03] [ 1.06603254e-03 1.20909153e-03 -1.06603254e-03] [-7.54068683e-04 2.82439073e-03 7.54068684e-04] [ 2.72506051e-03 -2.60443096e-03 -2.08282988e-03] [ 2.08282988e-03 -2.60443096e-03 -2.72506051e-03] [-1.06603254e-03 -1.20909153e-03 1.06603254e-03] [-4.80449014e-14 4.61297667e-14 -2.81719092e-14] [ 1.15229007e-14 -1.62046280e-14 -4.98673152e-14] [-4.86386583e-03 3.34983639e-03 -1.80054461e-03] [ 2.98570819e-03 -2.78173106e-05 -2.56118782e-04] [-2.98570819e-03 2.78173107e-05 2.56118782e-04] [ 4.86386583e-03 -3.34983639e-03 1.80054461e-03] [ 1.34459734e-03 6.51700915e-14 1.34459734e-03] [-3.87676162e-03 3.37291091e-03 3.87676162e-03] [ 3.87676162e-03 -3.37291091e-03 -3.87676162e-03] [-1.34459734e-03 -8.02448386e-14 -1.34459734e-03] [-2.56118782e-04 2.78173115e-05 2.98570819e-03] [ 1.80054461e-03 3.34983639e-03 4.86386583e-03] [-1.80054461e-03 -3.34983639e-03 -4.86386583e-03] [ 2.56118782e-04 -2.78173115e-05 -2.98570819e-03] [-4.86386583e-03 3.34983639e-03 -1.80054461e-03] [ 2.98570819e-03 -2.78173115e-05 -2.56118782e-04] [-2.98570819e-03 2.78173115e-05 2.56118782e-04] [ 4.86386583e-03 -3.34983639e-03 1.80054461e-03] [ 1.34459734e-03 1.52424042e-14 1.34459734e-03] [-3.87676162e-03 3.37291091e-03 3.87676162e-03] [ 3.87676162e-03 -3.37291091e-03 -3.87676162e-03] [-1.34459734e-03 1.19626965e-13 -1.34459734e-03] [-2.56118782e-04 2.78173107e-05 2.98570819e-03] [ 1.80054461e-03 3.34983639e-03 4.86386583e-03] [-1.80054461e-03 -3.34983639e-03 -4.86386583e-03] [ 2.56118781e-04 -2.78173106e-05 -2.98570819e-03]] Final stress: [-0.00019356 -0.00014395 -0.00019356 0.0046492 0.00011581 -0.0046492 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.88634195e-04 4.89448445e-03 -4.67951123e-06] [ 2.88634195e-04 -4.89448445e-03 4.67951128e-06] [-9.58696269e-04 -7.56274956e-04 9.58696269e-04] [ 9.58696269e-04 7.56274956e-04 -9.58696269e-04] [-4.67951127e-06 -4.89448445e-03 -2.88634195e-04] [ 4.67951125e-06 4.89448445e-03 2.88634195e-04] [-2.88634196e-04 4.89448445e-03 -4.67951127e-06] [ 2.88634195e-04 -4.89448445e-03 4.67951125e-06] [-9.58696269e-04 -7.56274956e-04 9.58696269e-04] [ 9.58696269e-04 7.56274956e-04 -9.58696269e-04] [-4.67951126e-06 -4.89448445e-03 -2.88634195e-04] [ 4.67951126e-06 4.89448445e-03 2.88634195e-04] [ 2.08182499e-03 2.60491461e-03 -2.72400272e-03] [-1.06714807e-03 1.20951979e-03 1.06714807e-03] [ 2.72400272e-03 2.60491461e-03 -2.08182499e-03] [-7.54733981e-04 -2.82451350e-03 7.54733981e-04] [ 1.06714807e-03 -1.20951979e-03 -1.06714807e-03] [-2.08182499e-03 -2.60491461e-03 2.72400272e-03] [-2.72400272e-03 -2.60491461e-03 2.08182499e-03] [ 7.54733981e-04 2.82451350e-03 -7.54733981e-04] [ 2.08182499e-03 2.60491461e-03 -2.72400272e-03] [-1.06714807e-03 1.20951979e-03 1.06714807e-03] [ 2.72400272e-03 2.60491461e-03 -2.08182499e-03] [-7.54733981e-04 -2.82451350e-03 7.54733981e-04] [ 1.06714807e-03 -1.20951979e-03 -1.06714807e-03] [-2.08182499e-03 -2.60491461e-03 2.72400272e-03] [-2.72400272e-03 -2.60491461e-03 2.08182499e-03] [ 7.54733981e-04 2.82451350e-03 -7.54733981e-04] [-6.93611835e-14 2.16493490e-14 -1.00947029e-13] [ 1.74469814e-15 5.39266236e-15 2.91880400e-14] [ 2.98539685e-03 2.73363446e-05 -2.55699115e-04] [-4.86388928e-03 -3.34930992e-03 -1.80007405e-03] [ 4.86388928e-03 3.34930992e-03 1.80007405e-03] [-2.98539685e-03 -2.73363447e-05 2.55699115e-04] [ 1.34489400e-03 1.83186799e-13 1.34489401e-03] [-3.87710577e-03 -3.37351638e-03 3.87710577e-03] [ 3.87710577e-03 3.37351638e-03 -3.87710577e-03] [-1.34489400e-03 -1.79413776e-13 -1.34489401e-03] [-1.80007405e-03 3.34930992e-03 -4.86388928e-03] [ 2.55699113e-04 2.73363429e-05 -2.98539685e-03] [-2.55699113e-04 -2.73363429e-05 2.98539685e-03] [ 1.80007405e-03 -3.34930992e-03 4.86388928e-03] [ 2.98539685e-03 2.73363429e-05 -2.55699113e-04] [-4.86388928e-03 -3.34930992e-03 -1.80007405e-03] [ 4.86388928e-03 3.34930992e-03 1.80007405e-03] [-2.98539685e-03 -2.73363429e-05 2.55699113e-04] [ 1.34489401e-03 -1.02187788e-13 1.34489400e-03] [-3.87710577e-03 -3.37351638e-03 3.87710577e-03] [ 3.87710577e-03 3.37351638e-03 -3.87710577e-03] [-1.34489401e-03 1.19904087e-13 -1.34489400e-03] [-1.80007405e-03 3.34930992e-03 -4.86388928e-03] [ 2.55699115e-04 2.73363445e-05 -2.98539685e-03] [-2.55699115e-04 -2.73363447e-05 2.98539685e-03] [ 1.80007405e-03 -3.34930992e-03 4.86388928e-03]] Final stress: [-0.00019356 -0.00014395 -0.00019356 -0.00464921 0.00011581 0.00464921] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.91201163e-04 -4.90154335e-03 4.08118234e-06] [ 2.91201163e-04 4.90154335e-03 -4.08118235e-06] [ 9.55326585e-04 -7.60072097e-04 9.55326585e-04] [-9.55326585e-04 7.60072097e-04 -9.55326585e-04] [ 4.08118236e-06 -4.90154335e-03 -2.91201163e-04] [-4.08118236e-06 4.90154335e-03 2.91201163e-04] [-2.91201163e-04 -4.90154335e-03 4.08118233e-06] [ 2.91201163e-04 4.90154335e-03 -4.08118239e-06] [ 9.55326585e-04 -7.60072097e-04 9.55326585e-04] [-9.55326585e-04 7.60072097e-04 -9.55326585e-04] [ 4.08118236e-06 -4.90154335e-03 -2.91201163e-04] [-4.08118235e-06 4.90154335e-03 2.91201163e-04] [-7.60720779e-04 2.82152155e-03 -7.60720779e-04] [ 2.71755881e-03 -2.61346491e-03 2.07786287e-03] [-1.07881576e-03 -1.21184699e-03 -1.07881576e-03] [ 2.07786287e-03 -2.61346491e-03 2.71755881e-03] [-2.71755881e-03 2.61346491e-03 -2.07786287e-03] [ 7.60720779e-04 -2.82152155e-03 7.60720779e-04] [ 1.07881576e-03 1.21184699e-03 1.07881576e-03] [-2.07786287e-03 2.61346491e-03 -2.71755881e-03] [-7.60720779e-04 2.82152155e-03 -7.60720779e-04] [ 2.71755881e-03 -2.61346491e-03 2.07786287e-03] [-1.07881576e-03 -1.21184699e-03 -1.07881576e-03] [ 2.07786287e-03 -2.61346491e-03 2.71755881e-03] [-2.71755881e-03 2.61346491e-03 -2.07786287e-03] [ 7.60720779e-04 -2.82152155e-03 7.60720779e-04] [ 1.07881576e-03 1.21184699e-03 1.07881576e-03] [-2.07786287e-03 2.61346491e-03 -2.71755881e-03] [-4.78506124e-14 1.23234756e-14 -3.04478665e-14] [ 6.73766598e-14 3.57149748e-14 6.66429429e-16] [-2.98325125e-03 2.09174808e-05 -2.49587474e-04] [ 4.87112587e-03 -3.34398946e-03 -1.79399158e-03] [-4.87112587e-03 3.34398946e-03 1.79399158e-03] [ 2.98325125e-03 -2.09174807e-05 2.49587474e-04] [-3.88327086e-03 3.37421877e-03 -3.88327086e-03] [ 1.35096117e-03 -1.85788884e-14 -1.35096117e-03] [-1.35096117e-03 1.87714427e-13 1.35096117e-03] [ 3.88327086e-03 -3.37421877e-03 3.88327086e-03] [-2.49587473e-04 2.09174796e-05 -2.98325125e-03] [ 1.79399158e-03 3.34398946e-03 -4.87112587e-03] [-1.79399158e-03 -3.34398946e-03 4.87112587e-03] [ 2.49587473e-04 -2.09174796e-05 2.98325125e-03] [-2.98325125e-03 2.09174794e-05 -2.49587473e-04] [ 4.87112587e-03 -3.34398946e-03 -1.79399158e-03] [-4.87112587e-03 3.34398946e-03 1.79399158e-03] [ 2.98325125e-03 -2.09174796e-05 2.49587473e-04] [-3.88327086e-03 3.37421877e-03 -3.88327086e-03] [ 1.35096117e-03 -1.32220623e-14 -1.35096117e-03] [-1.35096117e-03 -1.56760455e-13 1.35096117e-03] [ 3.88327086e-03 -3.37421877e-03 3.88327086e-03] [-2.49587474e-04 2.09174808e-05 -2.98325125e-03] [ 1.79399158e-03 3.34398946e-03 -4.87112587e-03] [-1.79399158e-03 -3.34398946e-03 4.87112587e-03] [ 2.49587474e-04 -2.09174808e-05 2.98325125e-03]] Final stress: [-0.00019358 -0.00014393 -0.00019358 -0.00464926 -0.00011582 -0.00464926] Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.58065996e-04 -9.57504037e-04 -9.57504037e-04] [ 7.58065996e-04 9.57504037e-04 9.57504037e-04] [ 4.89740829e-03 -2.89867107e-04 4.31852507e-06] [-4.89740829e-03 2.89867107e-04 -4.31852505e-06] [ 4.89740829e-03 4.31852506e-06 -2.89867107e-04] [-4.89740829e-03 -4.31852507e-06 2.89867107e-04] [-7.58065996e-04 -9.57504037e-04 -9.57504037e-04] [ 7.58065996e-04 9.57504037e-04 9.57504037e-04] [ 4.89740829e-03 -2.89867107e-04 4.31852508e-06] [-4.89740829e-03 2.89867107e-04 -4.31852502e-06] [ 4.89740829e-03 4.31852506e-06 -2.89867107e-04] [-4.89740829e-03 -4.31852505e-06 2.89867107e-04] [-1.21045120e-03 1.07222458e-03 1.07222458e-03] [-2.60883870e-03 -2.08049311e-03 -2.72141892e-03] [-2.60883870e-03 -2.72141892e-03 -2.08049311e-03] [ 2.82296378e-03 7.57319028e-04 7.57319028e-04] [ 2.60883870e-03 2.08049311e-03 2.72141892e-03] [ 1.21045120e-03 -1.07222458e-03 -1.07222458e-03] [ 2.60883870e-03 2.72141892e-03 2.08049311e-03] [-2.82296378e-03 -7.57319028e-04 -7.57319028e-04] [-1.21045120e-03 1.07222458e-03 1.07222458e-03] [-2.60883870e-03 -2.08049311e-03 -2.72141892e-03] [-2.60883870e-03 -2.72141892e-03 -2.08049311e-03] [ 2.82296378e-03 7.57319028e-04 7.57319028e-04] [ 2.60883870e-03 2.08049311e-03 2.72141892e-03] [ 1.21045120e-03 -1.07222458e-03 -1.07222458e-03] [ 2.60883870e-03 2.72141892e-03 2.08049311e-03] [-2.82296378e-03 -7.57319028e-04 -7.57319028e-04] [-1.06192832e-13 -1.09356968e-14 -3.41948692e-14] [ 8.65939265e-14 -5.90768448e-14 -2.79835562e-14] [-3.37343377e-03 -3.87995655e-03 -3.87995655e-03] [ 1.28879546e-13 -1.34770702e-03 1.34770702e-03] [-5.56256430e-14 1.34770702e-03 -1.34770702e-03] [ 3.37343377e-03 3.87995655e-03 3.87995655e-03] [ 3.34724321e-03 4.86746163e-03 -1.79766542e-03] [ 2.47206658e-05 2.98449829e-03 2.53081484e-04] [-2.47206657e-05 -2.98449829e-03 -2.53081484e-04] [-3.34724321e-03 -4.86746163e-03 1.79766542e-03] [ 3.34724322e-03 -1.79766542e-03 4.86746163e-03] [-2.47206668e-05 -2.53081485e-04 -2.98449829e-03] [ 2.47206668e-05 2.53081485e-04 2.98449829e-03] [-3.34724322e-03 1.79766542e-03 -4.86746163e-03] [-3.37343377e-03 -3.87995655e-03 -3.87995655e-03] [-1.49538801e-13 -1.34770702e-03 1.34770702e-03] [ 2.51023161e-14 1.34770702e-03 -1.34770702e-03] [ 3.37343377e-03 3.87995655e-03 3.87995655e-03] [ 3.34724322e-03 4.86746163e-03 -1.79766542e-03] [ 2.47206668e-05 2.98449829e-03 2.53081485e-04] [-2.47206668e-05 -2.98449829e-03 -2.53081485e-04] [-3.34724322e-03 -4.86746163e-03 1.79766542e-03] [ 3.34724321e-03 -1.79766542e-03 4.86746163e-03] [-2.47206657e-05 -2.53081484e-04 -2.98449829e-03] [ 2.47206657e-05 2.53081484e-04 2.98449829e-03] [-3.34724321e-03 1.79766542e-03 -4.86746163e-03]] Final stress: [-0.00014394 -0.00019357 -0.00019357 -0.00011582 0.00464923 0.00464923] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.57821109e-04 9.57849490e-04 -9.57849490e-04] [ 7.57821109e-04 -9.57849490e-04 9.57849490e-04] [-4.89684074e-03 -2.89687426e-04 -4.40267428e-06] [ 4.89684074e-03 2.89687426e-04 4.40267427e-06] [ 4.89684074e-03 -4.40267428e-06 -2.89687426e-04] [-4.89684074e-03 4.40267428e-06 2.89687426e-04] [-7.57821109e-04 9.57849490e-04 -9.57849490e-04] [ 7.57821109e-04 -9.57849490e-04 9.57849490e-04] [-4.89684074e-03 -2.89687426e-04 -4.40267425e-06] [ 4.89684074e-03 2.89687426e-04 4.40267425e-06] [ 4.89684074e-03 -4.40267427e-06 -2.89687426e-04] [-4.89684074e-03 4.40267425e-06 2.89687426e-04] [ 2.60835689e-03 -2.72181428e-03 2.08068746e-03] [-2.82313685e-03 7.56947159e-04 -7.56947159e-04] [ 1.21028756e-03 1.07156839e-03 -1.07156839e-03] [ 2.60835689e-03 -2.08068746e-03 2.72181428e-03] [ 2.82313685e-03 -7.56947159e-04 7.56947159e-04] [-2.60835689e-03 2.72181428e-03 -2.08068746e-03] [-1.21028756e-03 -1.07156839e-03 1.07156839e-03] [-2.60835689e-03 2.08068746e-03 -2.72181428e-03] [ 2.60835689e-03 -2.72181428e-03 2.08068746e-03] [-2.82313685e-03 7.56947159e-04 -7.56947159e-04] [ 1.21028756e-03 1.07156839e-03 -1.07156839e-03] [ 2.60835689e-03 -2.08068746e-03 2.72181428e-03] [ 2.82313685e-03 -7.56947159e-04 7.56947159e-04] [-2.60835689e-03 2.72181428e-03 -2.08068746e-03] [-1.21028756e-03 -1.07156839e-03 1.07156839e-03] [-2.60835689e-03 2.08068746e-03 -2.72181428e-03] [-3.16413562e-15 -9.14823772e-14 -8.41826608e-14] [ 2.20431312e-14 4.36706809e-14 3.40363690e-14] [ 9.68114477e-14 1.34736706e-03 1.34736706e-03] [-3.37347832e-03 3.87958513e-03 -3.87958513e-03] [ 3.37347832e-03 -3.87958513e-03 3.87958513e-03] [-2.97140784e-14 -1.34736706e-03 -1.34736706e-03] [ 3.34724650e-03 -4.86701923e-03 -1.79766125e-03] [ 2.47952533e-05 -2.98464406e-03 2.53242334e-04] [-2.47952532e-05 2.98464406e-03 -2.53242334e-04] [-3.34724650e-03 4.86701923e-03 1.79766125e-03] [ 2.47952536e-05 -2.53242335e-04 2.98464406e-03] [-3.34724650e-03 -1.79766125e-03 -4.86701923e-03] [ 3.34724650e-03 1.79766125e-03 4.86701923e-03] [-2.47952537e-05 2.53242335e-04 -2.98464406e-03] [-8.93421621e-14 1.34736706e-03 1.34736706e-03] [-3.37347832e-03 3.87958513e-03 -3.87958513e-03] [ 3.37347832e-03 -3.87958513e-03 3.87958513e-03] [-3.02223524e-14 -1.34736706e-03 -1.34736706e-03] [ 3.34724650e-03 -4.86701923e-03 -1.79766125e-03] [ 2.47952536e-05 -2.98464406e-03 2.53242335e-04] [-2.47952537e-05 2.98464406e-03 -2.53242335e-04] [-3.34724650e-03 4.86701923e-03 1.79766125e-03] [ 2.47952533e-05 -2.53242334e-04 2.98464406e-03] [-3.34724650e-03 -1.79766125e-03 -4.86701923e-03] [ 3.34724650e-03 1.79766125e-03 4.86701923e-03] [-2.47952533e-05 2.53242334e-04 -2.98464406e-03]] Final stress: [-0.00014394 -0.00019357 -0.00019357 0.00011582 0.00464923 -0.00464923] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.53459210e-04 -9.62380741e-04 9.62380741e-04] [ 7.53459210e-04 9.62380741e-04 -9.62380741e-04] [ 4.88812024e-03 -2.86782895e-04 -4.98772385e-06] [-4.88812024e-03 2.86782895e-04 4.98772383e-06] [-4.88812024e-03 -4.98772385e-06 -2.86782895e-04] [ 4.88812024e-03 4.98772383e-06 2.86782895e-04] [-7.53459210e-04 -9.62380741e-04 9.62380741e-04] [ 7.53459210e-04 9.62380741e-04 -9.62380741e-04] [ 4.88812024e-03 -2.86782895e-04 -4.98772382e-06] [-4.88812024e-03 2.86782895e-04 4.98772382e-06] [-4.88812024e-03 -4.98772384e-06 -2.86782896e-04] [ 4.88812024e-03 4.98772383e-06 2.86782895e-04] [ 2.59849828e-03 2.08584151e-03 -2.72978750e-03] [ 1.20734192e-03 -1.05782257e-03 1.05782257e-03] [-2.82637337e-03 -7.49813654e-04 7.49813654e-04] [ 2.59849828e-03 2.72978750e-03 -2.08584151e-03] [-1.20734192e-03 1.05782257e-03 -1.05782257e-03] [-2.59849828e-03 -2.08584151e-03 2.72978750e-03] [ 2.82637337e-03 7.49813654e-04 -7.49813654e-04] [-2.59849828e-03 -2.72978750e-03 2.08584151e-03] [ 2.59849828e-03 2.08584151e-03 -2.72978750e-03] [ 1.20734192e-03 -1.05782257e-03 1.05782257e-03] [-2.82637337e-03 -7.49813654e-04 7.49813654e-04] [ 2.59849828e-03 2.72978750e-03 -2.08584151e-03] [-1.20734192e-03 1.05782257e-03 -1.05782257e-03] [-2.59849828e-03 -2.08584151e-03 2.72978750e-03] [ 2.82637337e-03 7.49813654e-04 -7.49813654e-04] [-2.59849828e-03 -2.72978750e-03 2.08584151e-03] [-9.18987109e-14 5.92026428e-14 -3.97737399e-14] [ 5.46628715e-14 3.04887205e-14 1.14080447e-13] [ 1.81077375e-13 1.34039063e-03 1.34039064e-03] [ 3.37220910e-03 3.87250263e-03 -3.87250263e-03] [-3.37220910e-03 -3.87250263e-03 3.87250263e-03] [-4.89885910e-14 -1.34039063e-03 -1.34039064e-03] [ 3.23307524e-05 2.98727457e-03 -2.60500291e-04] [ 3.35374605e-03 4.85901112e-03 1.80486214e-03] [-3.35374605e-03 -4.85901112e-03 -1.80486214e-03] [-3.23307525e-05 -2.98727457e-03 2.60500291e-04] [ 3.35374605e-03 -1.80486214e-03 -4.85901112e-03] [-3.23307514e-05 -2.60500290e-04 2.98727457e-03] [ 3.23307515e-05 2.60500290e-04 -2.98727457e-03] [-3.35374605e-03 1.80486214e-03 4.85901112e-03] [-2.06008387e-13 1.34039064e-03 1.34039063e-03] [ 3.37220910e-03 3.87250263e-03 -3.87250263e-03] [-3.37220910e-03 -3.87250263e-03 3.87250263e-03] [-2.02572334e-15 -1.34039064e-03 -1.34039063e-03] [ 3.23307515e-05 2.98727457e-03 -2.60500290e-04] [ 3.35374605e-03 4.85901112e-03 1.80486214e-03] [-3.35374605e-03 -4.85901112e-03 -1.80486214e-03] [-3.23307515e-05 -2.98727457e-03 2.60500290e-04] [ 3.35374605e-03 -1.80486214e-03 -4.85901112e-03] [-3.23307525e-05 -2.60500291e-04 2.98727457e-03] [ 3.23307524e-05 2.60500291e-04 -2.98727457e-03] [-3.35374605e-03 1.80486214e-03 4.85901112e-03]] Final stress: [-0.00014396 -0.00019354 -0.00019354 0.00011581 -0.00464917 0.00464917] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-7.52214770e-04 9.63704201e-04 9.63704201e-04] [ 7.52214770e-04 -9.63704201e-04 -9.63704201e-04] [-4.88561465e-03 -2.85963717e-04 5.13799340e-06] [ 4.88561465e-03 2.85963717e-04 -5.13799343e-06] [-4.88561465e-03 5.13799342e-06 -2.85963717e-04] [ 4.88561465e-03 -5.13799342e-06 2.85963717e-04] [-7.52214770e-04 9.63704201e-04 9.63704201e-04] [ 7.52214770e-04 -9.63704201e-04 -9.63704201e-04] [-4.88561465e-03 -2.85963717e-04 5.13799343e-06] [ 4.88561465e-03 2.85963717e-04 -5.13799342e-06] [-4.88561465e-03 5.13799344e-06 -2.85963717e-04] [ 4.88561465e-03 -5.13799343e-06 2.85963717e-04] [ 2.82728836e-03 -7.47774855e-04 -7.47774855e-04] [-2.59569025e-03 2.73209048e-03 2.08733571e-03] [-2.59569025e-03 2.08733571e-03 2.73209048e-03] [-1.20647957e-03 -1.05390775e-03 -1.05390775e-03] [ 2.59569025e-03 -2.73209048e-03 -2.08733571e-03] [-2.82728836e-03 7.47774855e-04 7.47774855e-04] [ 2.59569025e-03 -2.08733571e-03 -2.73209048e-03] [ 1.20647957e-03 1.05390775e-03 1.05390775e-03] [ 2.82728836e-03 -7.47774855e-04 -7.47774855e-04] [-2.59569025e-03 2.73209048e-03 2.08733571e-03] [-2.59569025e-03 2.08733571e-03 2.73209048e-03] [-1.20647957e-03 -1.05390775e-03 -1.05390775e-03] [ 2.59569025e-03 -2.73209048e-03 -2.08733571e-03] [-2.82728836e-03 7.47774855e-04 7.47774855e-04] [ 2.59569025e-03 -2.08733571e-03 -2.73209048e-03] [ 1.20647957e-03 1.05390775e-03 1.05390775e-03] [-1.28980160e-13 -1.29340982e-14 -9.49240686e-14] [ 6.44068132e-14 7.77403180e-14 1.04431648e-13] [ 3.37181875e-03 -3.87049314e-03 -3.87049314e-03] [ 1.36965092e-13 -1.33840013e-03 1.33840014e-03] [-5.70828107e-14 1.33840013e-03 -1.33840014e-03] [-3.37181875e-03 3.87049314e-03 3.87049314e-03] [ 3.44924053e-05 -2.98803589e-03 -2.62618967e-04] [ 3.35566570e-03 -4.85675845e-03 1.80694356e-03] [-3.35566570e-03 4.85675845e-03 -1.80694356e-03] [-3.44924053e-05 2.98803589e-03 2.62618967e-04] [ 3.44924043e-05 -2.62618966e-04 -2.98803589e-03] [-3.35566570e-03 -1.80694356e-03 4.85675845e-03] [ 3.35566570e-03 1.80694356e-03 -4.85675845e-03] [-3.44924042e-05 2.62618966e-04 2.98803589e-03] [ 3.37181875e-03 -3.87049314e-03 -3.87049314e-03] [-2.15205458e-13 -1.33840014e-03 1.33840013e-03] [-1.30646362e-14 1.33840014e-03 -1.33840013e-03] [-3.37181875e-03 3.87049314e-03 3.87049314e-03] [ 3.44924043e-05 -2.98803589e-03 -2.62618966e-04] [ 3.35566570e-03 -4.85675845e-03 1.80694356e-03] [-3.35566570e-03 4.85675845e-03 -1.80694356e-03] [-3.44924042e-05 2.98803589e-03 2.62618966e-04] [ 3.44924053e-05 -2.62618967e-04 -2.98803589e-03] [-3.35566570e-03 -1.80694356e-03 4.85675845e-03] [ 3.35566570e-03 1.80694356e-03 -4.85675845e-03] [-3.44924053e-05 2.62618967e-04 2.98803589e-03]] Final stress: [-0.00014397 -0.00019353 -0.00019353 -0.00011581 -0.00464915 -0.00464915] Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.89301200e-02 -5.22650499e-15 2.02472587e-14] [ 7.89301200e-02 -2.13717932e-15 1.10744747e-14] [ 2.91776152e-14 -7.89301200e-02 6.57690048e-14] [-2.63122857e-14 7.89301200e-02 6.00908212e-14] [-2.15743222e-14 8.76035355e-17 2.61188642e-02] [ 1.83464355e-14 1.54598556e-14 -2.61188642e-02] [-7.89301200e-02 2.23219880e-14 -2.48921862e-14] [ 7.89301200e-02 1.58909344e-14 -2.38670706e-14] [ 8.61897359e-15 -7.89301200e-02 1.23297754e-14] [ 1.57092221e-14 7.89301200e-02 -4.89774055e-14] [-1.54533504e-14 -1.84067855e-16 2.61188642e-02] [-2.85145171e-14 2.38127021e-14 -2.61188642e-02] [-4.62387463e-03 -4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 -4.62387463e-03 4.04598500e-02] [-4.62387463e-03 4.62387463e-03 4.04598500e-02] [-4.62387463e-03 -4.62387463e-03 4.04598500e-02] [ 4.62387463e-03 4.62387463e-03 4.04598500e-02] [-4.62387463e-03 4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 -4.62387463e-03 -4.04598500e-02] [-4.62387463e-03 -4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 -4.62387463e-03 4.04598500e-02] [-4.62387463e-03 4.62387463e-03 4.04598500e-02] [-4.62387463e-03 -4.62387463e-03 4.04598500e-02] [ 4.62387463e-03 4.62387463e-03 4.04598500e-02] [-4.62387463e-03 4.62387463e-03 -4.04598500e-02] [ 4.62387463e-03 -4.62387463e-03 -4.04598500e-02] [-4.48530102e-14 -9.23150445e-14 2.37448949e-13] [ 1.59863442e-14 1.08536407e-14 -4.63055279e-14] [-1.18793864e-14 5.76576089e-05 -2.12291841e-02] [ 6.26929064e-15 -5.76576088e-05 -2.12291841e-02] [-4.76320372e-14 5.76576085e-05 2.12291841e-02] [ 7.50198514e-14 -5.76576082e-05 2.12291841e-02] [ 5.76576084e-05 3.66373598e-14 -2.12291841e-02] [ 5.76576081e-05 9.40653805e-14 2.12291841e-02] [-5.76576084e-05 4.39544234e-14 -2.12291841e-02] [-5.76576081e-05 1.08500015e-13 2.12291841e-02] [ 2.51381121e-02 2.51381121e-02 -3.49720253e-14] [-2.51381121e-02 2.51381121e-02 -5.62501434e-14] [ 2.51381121e-02 -2.51381121e-02 -5.56412555e-14] [-2.51381121e-02 -2.51381121e-02 -8.80393442e-14] [-1.85047290e-14 5.76576080e-05 -2.12291841e-02] [ 3.90095942e-15 -5.76576082e-05 -2.12291841e-02] [-2.85891102e-14 5.76576082e-05 2.12291841e-02] [ 4.01237203e-14 -5.76576083e-05 2.12291841e-02] [ 5.76576083e-05 -2.47565133e-13 -2.12291841e-02] [ 5.76576088e-05 -1.05277115e-13 2.12291841e-02] [-5.76576084e-05 -9.24802769e-14 -2.12291841e-02] [-5.76576088e-05 -7.89091015e-14 2.12291841e-02] [ 2.51381121e-02 2.51381121e-02 3.18712258e-13] [-2.51381121e-02 2.51381121e-02 2.92694336e-13] [ 2.51381121e-02 -2.51381121e-02 2.93819277e-13] [-2.51381121e-02 -2.51381121e-02 1.52520357e-13]] Final stress: [-2.57228963e-03 -2.57228963e-03 -5.57332970e-03 8.75424509e-17 -1.85185954e-17 3.36701734e-18] Minimization converged after 21 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.89271539e-02 5.17927715e-14 2.55503084e-14] [ 7.89271539e-02 7.41628980e-14 -6.05071548e-15] [ 2.16788393e-14 2.61186992e-02 -4.66480153e-14] [-6.77236045e-15 -2.61186992e-02 -1.01862963e-14] [-4.49748745e-14 4.27399002e-14 -7.89271539e-02] [-6.69742040e-14 6.83064716e-14 7.89271538e-02] [-7.89271539e-02 4.44626974e-14 2.37125038e-14] [ 7.89271539e-02 2.40272212e-14 -7.18752783e-15] [ 2.41169931e-15 2.61186992e-02 4.31924461e-14] [ 3.54551458e-14 -2.61186992e-02 1.20699952e-14] [-1.14860378e-14 2.57622870e-14 -7.89271539e-02] [ 5.19549681e-15 4.59361614e-15 7.89271538e-02] [-4.62387326e-03 -4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 -4.04590818e-02 4.62387326e-03] [-4.62387326e-03 4.04590818e-02 4.62387326e-03] [-4.62387326e-03 -4.04590818e-02 4.62387326e-03] [ 4.62387326e-03 4.04590818e-02 4.62387326e-03] [-4.62387326e-03 4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 -4.04590818e-02 -4.62387326e-03] [-4.62387326e-03 -4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 -4.04590818e-02 4.62387326e-03] [-4.62387326e-03 4.04590818e-02 4.62387326e-03] [-4.62387326e-03 -4.04590818e-02 4.62387326e-03] [ 4.62387326e-03 4.04590818e-02 4.62387326e-03] [-4.62387326e-03 4.04590818e-02 -4.62387326e-03] [ 4.62387326e-03 -4.04590818e-02 -4.62387326e-03] [ 3.30568906e-14 2.24820162e-14 8.09075029e-14] [-6.70605065e-14 -6.87276360e-14 2.14811552e-13] [-7.67164110e-14 -2.12309346e-02 5.63474634e-05] [-3.27793348e-14 2.12309346e-02 5.63474634e-05] [ 1.44832063e-13 -2.12309346e-02 -5.63474635e-05] [ 5.17259846e-14 2.12309346e-02 -5.63474635e-05] [ 2.51365851e-02 -1.28674849e-13 2.51365851e-02] [ 2.51365851e-02 -8.05917832e-14 -2.51365851e-02] [-2.51365851e-02 -1.37053563e-13 2.51365851e-02] [-2.51365851e-02 -5.98878044e-14 -2.51365851e-02] [ 5.63474633e-05 -2.12309346e-02 7.54951657e-14] [-5.63474632e-05 -2.12309346e-02 8.64378014e-14] [ 5.63474631e-05 2.12309346e-02 9.12672715e-14] [-5.63474631e-05 2.12309346e-02 -3.77128884e-14] [ 4.09498824e-14 -2.12309346e-02 5.63474631e-05] [-4.55720531e-14 2.12309346e-02 5.63474633e-05] [ 6.24929795e-14 -2.12309346e-02 -5.63474630e-05] [ 3.54161145e-14 2.12309346e-02 -5.63474634e-05] [ 2.51365851e-02 5.32148110e-14 2.51365851e-02] [ 2.51365851e-02 -1.62951575e-13 -2.51365851e-02] [-2.51365851e-02 -1.13216728e-14 2.51365851e-02] [-2.51365851e-02 6.08744825e-14 -2.51365851e-02] [ 5.63474634e-05 -2.12309346e-02 6.50703449e-14] [-5.63474633e-05 -2.12309346e-02 2.12364062e-13] [ 5.63474634e-05 2.12309346e-02 6.75034573e-14] [-5.63474636e-05 2.12309346e-02 6.63150090e-14]] Final stress: [-2.57226127e-03 -5.57327086e-03 -2.57226127e-03 2.69361387e-17 3.36701734e-17 5.72392948e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.03941175e-02 -1.48739528e-14 -9.64202676e-15] [-3.03941175e-02 -3.77198273e-14 9.52016244e-15] [-4.77924991e-14 -2.45420805e-03 2.23154405e-04] [ 2.62012634e-14 2.45420805e-03 -2.23154405e-04] [ 9.36750677e-15 2.23154405e-04 -2.45420805e-03] [-7.85482790e-15 -2.23154405e-04 2.45420805e-03] [ 3.03941175e-02 -7.46755088e-15 -6.45048115e-15] [-3.03941175e-02 3.79492444e-14 -8.69964501e-15] [ 1.94388776e-14 -2.45420805e-03 2.23154405e-04] [-2.98728056e-14 2.45420805e-03 -2.23154405e-04] [ 1.19917097e-14 2.23154405e-04 -2.45420805e-03] [-4.16333634e-16 -2.23154405e-04 2.45420805e-03] [ 2.15538602e-02 8.11780259e-03 8.11780259e-03] [ 3.58691283e-02 -1.63414560e-02 1.63414560e-02] [ 3.58691283e-02 1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 -8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 1.63414560e-02 -1.63414560e-02] [-2.15538602e-02 -8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 -1.63414560e-02 1.63414560e-02] [-2.15538602e-02 8.11780259e-03 8.11780259e-03] [ 2.15538602e-02 8.11780259e-03 8.11780259e-03] [ 3.58691283e-02 -1.63414560e-02 1.63414560e-02] [ 3.58691283e-02 1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 -8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 1.63414560e-02 -1.63414560e-02] [-2.15538602e-02 -8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 -1.63414560e-02 1.63414560e-02] [-2.15538602e-02 8.11780259e-03 8.11780259e-03] [ 4.97102359e-14 1.48214774e-14 2.28206343e-13] [-2.06704012e-13 1.48540858e-14 -1.18411279e-13] [ 6.92779167e-14 4.15835195e-02 4.15835195e-02] [-1.35717826e-13 5.84160798e-03 -5.84160798e-03] [ 1.68580427e-14 -5.84160798e-03 5.84160798e-03] [-2.04241138e-13 -4.15835195e-02 -4.15835195e-02] [ 2.22277836e-02 3.55795103e-02 -6.93780921e-03] [ 2.22277836e-02 -3.55795103e-02 6.93780921e-03] [-2.22277836e-02 3.55795103e-02 -6.93780921e-03] [-2.22277836e-02 -3.55795103e-02 6.93780921e-03] [ 2.22277836e-02 -6.93780921e-03 3.55795103e-02] [-2.22277836e-02 -6.93780921e-03 3.55795103e-02] [ 2.22277836e-02 6.93780921e-03 -3.55795103e-02] [-2.22277836e-02 6.93780921e-03 -3.55795103e-02] [ 1.55315864e-13 4.15835195e-02 4.15835195e-02] [ 6.59849779e-14 5.84160798e-03 -5.84160798e-03] [ 5.30365682e-14 -5.84160798e-03 5.84160798e-03] [ 1.26877675e-13 -4.15835195e-02 -4.15835195e-02] [ 2.22277836e-02 3.55795103e-02 -6.93780921e-03] [ 2.22277836e-02 -3.55795103e-02 6.93780921e-03] [-2.22277836e-02 3.55795103e-02 -6.93780921e-03] [-2.22277836e-02 -3.55795103e-02 6.93780921e-03] [ 2.22277836e-02 -6.93780921e-03 3.55795103e-02] [-2.22277836e-02 -6.93780921e-03 3.55795103e-02] [ 2.22277836e-02 6.93780921e-03 -3.55795103e-02] [-2.22277836e-02 6.93780921e-03 -3.55795103e-02]] Final stress: [-4.82579628e-05 2.29042571e-03 2.29042571e-03 2.90932152e-03 4.79157964e-17 -6.03078127e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.03941175e-02 1.15766771e-14 2.81025203e-15] [-3.03941175e-02 -3.40838469e-14 -1.12410081e-14] [-2.00985062e-14 -2.45420806e-03 -2.23154405e-04] [ 3.16136006e-14 2.45420806e-03 2.23154405e-04] [-5.23669649e-15 -2.23154405e-04 -2.45420806e-03] [-5.60662627e-15 2.23154405e-04 2.45420806e-03] [ 3.03941175e-02 8.45113909e-15 -1.77561890e-14] [-3.03941175e-02 1.38430933e-14 -1.27530704e-14] [ 5.24753851e-17 -2.45420806e-03 -2.23154405e-04] [-4.11532787e-14 2.45420806e-03 2.23154405e-04] [ 3.08780779e-16 -2.23154405e-04 -2.45420806e-03] [ 1.86916455e-16 2.23154405e-04 2.45420806e-03] [-3.58691283e-02 1.63414560e-02 1.63414560e-02] [-2.15538602e-02 -8.11780259e-03 8.11780259e-03] [-2.15538602e-02 8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 -1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 8.11780259e-03 -8.11780259e-03] [ 3.58691283e-02 -1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 -8.11780259e-03 8.11780259e-03] [ 3.58691283e-02 1.63414560e-02 1.63414560e-02] [-3.58691283e-02 1.63414560e-02 1.63414560e-02] [-2.15538602e-02 -8.11780259e-03 8.11780259e-03] [-2.15538602e-02 8.11780259e-03 -8.11780259e-03] [-3.58691283e-02 -1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 8.11780259e-03 -8.11780259e-03] [ 3.58691283e-02 -1.63414560e-02 -1.63414560e-02] [ 2.15538602e-02 -8.11780259e-03 8.11780259e-03] [ 3.58691283e-02 1.63414560e-02 1.63414560e-02] [-1.32949207e-14 -9.08162434e-14 1.54209978e-13] [-9.83553516e-14 -1.16165263e-13 6.04611793e-15] [ 1.09023901e-13 -5.84160798e-03 -5.84160798e-03] [-2.42618425e-14 -4.15835195e-02 4.15835195e-02] [ 6.97965991e-14 4.15835195e-02 -4.15835195e-02] [-7.56625563e-15 5.84160798e-03 5.84160798e-03] [ 2.22277836e-02 -3.55795103e-02 -6.93780921e-03] [ 2.22277836e-02 3.55795103e-02 6.93780921e-03] [-2.22277836e-02 -3.55795103e-02 -6.93780921e-03] [-2.22277836e-02 3.55795103e-02 6.93780921e-03] [ 2.22277836e-02 -6.93780922e-03 -3.55795103e-02] [-2.22277836e-02 -6.93780922e-03 -3.55795103e-02] [ 2.22277836e-02 6.93780922e-03 3.55795103e-02] [-2.22277836e-02 6.93780922e-03 3.55795103e-02] [-1.24165869e-13 -5.84160798e-03 -5.84160798e-03] [-6.76381694e-14 -4.15835195e-02 4.15835195e-02] [-1.40248490e-13 4.15835195e-02 -4.15835195e-02] [ 6.02239612e-14 5.84160798e-03 5.84160798e-03] [ 2.22277836e-02 -3.55795103e-02 -6.93780922e-03] [ 2.22277836e-02 3.55795103e-02 6.93780921e-03] [-2.22277836e-02 -3.55795103e-02 -6.93780922e-03] [-2.22277836e-02 3.55795103e-02 6.93780922e-03] [ 2.22277836e-02 -6.93780921e-03 -3.55795103e-02] [-2.22277836e-02 -6.93780921e-03 -3.55795103e-02] [ 2.22277836e-02 6.93780921e-03 3.55795103e-02] [-2.22277836e-02 6.93780921e-03 3.55795103e-02]] Final stress: [-4.82579627e-05 2.29042571e-03 2.29042571e-03 -2.90932152e-03 -1.32181507e-17 1.48704196e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.47375991e-02 -5.87355685e-15 -1.71822192e-14] [ 4.47375991e-02 1.48214774e-14 -2.60902411e-14] [ 1.72583302e-14 -2.12179892e-03 3.66818442e-03] [ 5.44009282e-15 2.12179892e-03 -3.66818442e-03] [-7.90990537e-15 3.66818442e-03 -2.12179892e-03] [ 1.72362125e-14 -3.66818442e-03 2.12179892e-03] [-4.47375991e-02 1.08350828e-14 1.13525014e-14] [ 4.47375991e-02 1.63679834e-14 -3.09926408e-14] [-1.10089889e-14 -2.12179892e-03 3.66818442e-03] [ 9.75608483e-15 2.12179892e-03 -3.66818442e-03] [-2.32799890e-15 3.66818442e-03 -2.12179892e-03] [ 4.37844205e-15 -3.66818442e-03 2.12179892e-03] [ 3.41187344e-02 -1.30409131e-02 -1.30409131e-02] [ 1.58223929e-02 1.34550344e-02 -1.34550344e-02] [ 1.58223929e-02 -1.34550344e-02 1.34550344e-02] [ 3.41187344e-02 1.30409131e-02 1.30409131e-02] [-1.58223929e-02 -1.34550344e-02 1.34550344e-02] [-3.41187344e-02 1.30409131e-02 1.30409131e-02] [-1.58223929e-02 1.34550344e-02 -1.34550344e-02] [-3.41187344e-02 -1.30409131e-02 -1.30409131e-02] [ 3.41187344e-02 -1.30409131e-02 -1.30409131e-02] [ 1.58223929e-02 1.34550344e-02 -1.34550344e-02] [ 1.58223929e-02 -1.34550344e-02 1.34550344e-02] [ 3.41187344e-02 1.30409131e-02 1.30409131e-02] [-1.58223929e-02 -1.34550344e-02 1.34550344e-02] [-3.41187344e-02 1.30409131e-02 1.30409131e-02] [-1.58223929e-02 1.34550344e-02 -1.34550344e-02] [-3.41187344e-02 -1.30409131e-02 -1.30409131e-02] [-2.16771046e-14 -6.81399381e-14 1.60482738e-13] [ 2.97526760e-14 -2.17906322e-14 -5.27432625e-14] [-3.46389584e-14 2.38731927e-02 2.38731927e-02] [ 1.24553146e-14 4.82283142e-02 -4.82283142e-02] [-1.39437073e-14 -4.82283142e-02 4.82283142e-02] [ 7.06275316e-14 -2.38731927e-02 -2.38731927e-02] [ 8.05311190e-03 1.52883564e-02 -3.65997059e-05] [ 8.05311190e-03 -1.52883564e-02 3.65997058e-05] [-8.05311190e-03 1.52883564e-02 -3.65997059e-05] [-8.05311190e-03 -1.52883564e-02 3.65997057e-05] [ 8.05311190e-03 -3.65997058e-05 1.52883564e-02] [-8.05311190e-03 -3.65997057e-05 1.52883564e-02] [ 8.05311190e-03 3.65997056e-05 -1.52883564e-02] [-8.05311190e-03 3.65997058e-05 -1.52883564e-02] [ 5.82693616e-15 2.38731927e-02 2.38731927e-02] [-1.24522788e-14 4.82283142e-02 -4.82283142e-02] [ 2.95948162e-14 -4.82283142e-02 4.82283142e-02] [-1.92554306e-15 -2.38731927e-02 -2.38731927e-02] [ 8.05311190e-03 1.52883564e-02 -3.65997057e-05] [ 8.05311190e-03 -1.52883564e-02 3.65997059e-05] [-8.05311190e-03 1.52883564e-02 -3.65997057e-05] [-8.05311190e-03 -1.52883564e-02 3.65997058e-05] [ 8.05311190e-03 -3.65997057e-05 1.52883564e-02] [-8.05311190e-03 -3.65997058e-05 1.52883564e-02] [ 8.05311190e-03 3.65997058e-05 -1.52883564e-02] [-8.05311190e-03 3.65997058e-05 -1.52883564e-02]] Final stress: [ 2.62276567e-04 -2.50463695e-03 -2.50463695e-03 2.91114863e-03 7.02681880e-17 -8.19795527e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.47377857e-02 -3.85676734e-14 1.03166174e-14] [ 4.47377857e-02 -1.60427227e-14 -9.68669589e-15] [ 1.08116641e-15 -2.12219661e-03 -3.66862478e-03] [ 1.12132525e-14 2.12219661e-03 3.66862478e-03] [-1.55938630e-14 -3.66862478e-03 -2.12219661e-03] [ 1.48492330e-14 3.66862478e-03 2.12219661e-03] [-4.47377857e-02 -1.35828848e-15 1.22390027e-14] [ 4.47377857e-02 -1.72821826e-15 1.97380632e-14] [ 1.08767162e-14 -2.12219661e-03 -3.66862478e-03] [ 1.14838694e-15 2.12219661e-03 3.66862478e-03] [-6.21811630e-15 -3.66862478e-03 -2.12219661e-03] [ 5.97959182e-15 3.66862478e-03 2.12219661e-03] [-1.58226265e-02 -1.34550291e-02 -1.34550291e-02] [-3.41192385e-02 1.30408958e-02 -1.30408958e-02] [-3.41192385e-02 -1.30408958e-02 1.30408958e-02] [-1.58226265e-02 1.34550291e-02 1.34550291e-02] [ 3.41192385e-02 -1.30408958e-02 1.30408958e-02] [ 1.58226265e-02 1.34550291e-02 1.34550291e-02] [ 3.41192385e-02 1.30408958e-02 -1.30408958e-02] [ 1.58226265e-02 -1.34550291e-02 -1.34550291e-02] [-1.58226265e-02 -1.34550291e-02 -1.34550291e-02] [-3.41192385e-02 1.30408958e-02 -1.30408958e-02] [-3.41192385e-02 -1.30408958e-02 1.30408958e-02] [-1.58226265e-02 1.34550291e-02 1.34550291e-02] [ 3.41192385e-02 -1.30408958e-02 1.30408958e-02] [ 1.58226265e-02 1.34550291e-02 1.34550291e-02] [ 3.41192385e-02 1.30408958e-02 -1.30408958e-02] [ 1.58226265e-02 -1.34550291e-02 -1.34550291e-02] [-3.41393580e-14 -7.31081862e-14 5.08759701e-14] [ 6.42888520e-15 -5.69739949e-14 6.20998407e-14] [-6.57252031e-14 -4.82284740e-02 -4.82284740e-02] [ 4.78575513e-14 -2.38735156e-02 2.38735156e-02] [ 1.97029892e-14 2.38735156e-02 -2.38735156e-02] [ 3.94163868e-14 4.82284740e-02 4.82284740e-02] [ 8.05347436e-03 -1.52881644e-02 -3.67652107e-05] [ 8.05347436e-03 1.52881644e-02 3.67652107e-05] [-8.05347436e-03 -1.52881644e-02 -3.67652108e-05] [-8.05347436e-03 1.52881644e-02 3.67652107e-05] [ 8.05347436e-03 -3.67652108e-05 -1.52881644e-02] [-8.05347436e-03 -3.67652108e-05 -1.52881644e-02] [ 8.05347436e-03 3.67652109e-05 1.52881644e-02] [-8.05347436e-03 3.67652108e-05 1.52881644e-02] [-1.22688318e-15 -4.82284740e-02 -4.82284740e-02] [ 2.57771235e-14 -2.38735156e-02 2.38735156e-02] [ 1.95182412e-14 2.38735156e-02 -2.38735156e-02] [ 3.29567103e-14 4.82284740e-02 4.82284740e-02] [ 8.05347436e-03 -1.52881644e-02 -3.67652108e-05] [ 8.05347436e-03 1.52881644e-02 3.67652108e-05] [-8.05347436e-03 -1.52881644e-02 -3.67652109e-05] [-8.05347436e-03 1.52881644e-02 3.67652108e-05] [ 8.05347436e-03 -3.67652107e-05 -1.52881644e-02] [-8.05347436e-03 -3.67652107e-05 -1.52881644e-02] [ 8.05347436e-03 3.67652108e-05 1.52881644e-02] [-8.05347436e-03 3.67652107e-05 1.52881644e-02]] Final stress: [ 2.62274724e-04 -2.50463752e-03 -2.50463752e-03 -2.91115206e-03 -5.68837713e-17 -7.86334485e-17] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.51621871e-02 -3.19846146e-14 -2.10898005e-03] [ 3.51621871e-02 3.02535774e-14 2.10898005e-03] [ 5.54942377e-14 -6.88621349e-03 -1.88035351e-14] [ 1.19071419e-14 6.88621349e-03 1.68198788e-14] [-2.10918078e-03 7.47405610e-15 -8.99120203e-04] [ 2.10918078e-03 1.08246745e-14 8.99120203e-04] [-3.51621871e-02 7.83878171e-15 -2.10898005e-03] [ 3.51621871e-02 -1.47334402e-14 2.10898005e-03] [ 3.45036499e-15 -6.88621349e-03 2.05720925e-15] [-1.83577112e-14 6.88621349e-03 -9.29166683e-15] [-2.10918078e-03 3.34726508e-15 -8.99120203e-04] [ 2.10918078e-03 1.54924059e-14 8.99120203e-04] [ 1.38207004e-02 9.14746810e-03 -9.97169964e-03] [-7.70255259e-03 4.54698368e-02 -1.85481981e-02] [-1.38207004e-02 9.14746810e-03 9.97169964e-03] [ 7.70255259e-03 4.54698368e-02 1.85481981e-02] [ 7.70255259e-03 -4.54698368e-02 1.85481981e-02] [-1.38207004e-02 -9.14746810e-03 9.97169964e-03] [ 1.38207004e-02 -9.14746810e-03 -9.97169964e-03] [-7.70255259e-03 -4.54698368e-02 -1.85481981e-02] [ 1.38207004e-02 9.14746810e-03 -9.97169964e-03] [-7.70255259e-03 4.54698368e-02 -1.85481981e-02] [-1.38207004e-02 9.14746810e-03 9.97169964e-03] [ 7.70255259e-03 4.54698368e-02 1.85481981e-02] [ 7.70255259e-03 -4.54698368e-02 1.85481981e-02] [-1.38207004e-02 -9.14746810e-03 9.97169964e-03] [ 1.38207004e-02 -9.14746810e-03 -9.97169964e-03] [-7.70255259e-03 -4.54698368e-02 -1.85481981e-02] [ 5.46784840e-14 -2.76723089e-14 2.91711100e-14] [-2.07702779e-14 -9.08323507e-15 -5.67173092e-15] [ 1.89106189e-02 -1.34954701e-02 -1.46776143e-02] [ 1.89106189e-02 1.34954701e-02 -1.46776143e-02] [-1.89106189e-02 -1.34954701e-02 1.46776143e-02] [-1.89106189e-02 1.34954701e-02 1.46776143e-02] [ 5.14718017e-02 7.43849426e-15 3.10458756e-02] [-3.67682931e-02 3.36640438e-14 3.69037858e-02] [ 3.67682931e-02 -7.56374130e-14 -3.69037858e-02] [-5.14718017e-02 1.89310373e-14 -3.10458756e-02] [ 9.11883056e-03 -1.73379619e-03 1.44190570e-02] [-9.11883056e-03 -1.73379619e-03 -1.44190570e-02] [ 9.11883056e-03 1.73379619e-03 1.44190570e-02] [-9.11883056e-03 1.73379619e-03 -1.44190570e-02] [ 1.89106189e-02 -1.34954701e-02 -1.46776143e-02] [ 1.89106189e-02 1.34954701e-02 -1.46776143e-02] [-1.89106189e-02 -1.34954701e-02 1.46776143e-02] [-1.89106189e-02 1.34954701e-02 1.46776143e-02] [ 5.14718017e-02 -1.47935485e-13 3.10458756e-02] [-3.67682931e-02 -9.00466767e-14 3.69037858e-02] [ 3.67682931e-02 -2.65321619e-14 -3.69037858e-02] [-5.14718017e-02 -9.86610967e-14 -3.10458756e-02] [ 9.11883056e-03 -1.73379619e-03 1.44190570e-02] [-9.11883056e-03 -1.73379619e-03 -1.44190570e-02] [ 9.11883056e-03 1.73379619e-03 1.44190570e-02] [-9.11883056e-03 1.73379619e-03 -1.44190570e-02]] Final stress: [ 1.29637458e-04 -2.66589847e-03 -2.68083581e-03 -1.20459781e-16 3.01296961e-03 3.17879976e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.51622408e-02 -1.59926326e-14 2.10891310e-03] [ 3.51622408e-02 -1.40443213e-14 -2.10891310e-03] [ 1.88664188e-14 -6.88632560e-03 5.63121598e-14] [ 5.44009282e-15 6.88632560e-03 -3.69149156e-15] [ 2.10909953e-03 -1.52725055e-14 -8.99243274e-04] [-2.10909953e-03 -2.18991492e-14 8.99243274e-04] [-3.51622408e-02 9.50932041e-15 2.10891310e-03] [ 3.51622408e-02 -1.79066831e-15 -2.10891310e-03] [-1.38907982e-14 -6.88632560e-03 1.67084025e-15] [ 3.88534691e-15 6.88632560e-03 1.11694067e-14] [ 2.10909953e-03 1.13909949e-14 -8.99243274e-04] [-2.10909953e-03 2.17396235e-15 8.99243274e-04] [ 7.70257499e-03 -4.54699251e-02 -1.85482038e-02] [-1.38207471e-02 -9.14756411e-03 -9.97169170e-03] [-7.70257499e-03 -4.54699251e-02 1.85482038e-02] [ 1.38207471e-02 -9.14756411e-03 9.97169170e-03] [ 1.38207471e-02 9.14756411e-03 9.97169170e-03] [-7.70257499e-03 4.54699251e-02 1.85482038e-02] [ 7.70257499e-03 4.54699251e-02 -1.85482038e-02] [-1.38207471e-02 9.14756411e-03 -9.97169170e-03] [ 7.70257499e-03 -4.54699251e-02 -1.85482038e-02] [-1.38207471e-02 -9.14756411e-03 -9.97169170e-03] [-7.70257499e-03 -4.54699251e-02 1.85482038e-02] [ 1.38207471e-02 -9.14756411e-03 9.97169170e-03] [ 1.38207471e-02 9.14756411e-03 9.97169170e-03] [-7.70257499e-03 4.54699251e-02 1.85482038e-02] [ 7.70257499e-03 4.54699251e-02 -1.85482038e-02] [-1.38207471e-02 9.14756411e-03 -9.97169170e-03] [ 3.30013794e-14 -7.03881398e-14 7.58004770e-14] [-4.13020312e-14 -5.81313767e-14 -3.57342025e-15] [-1.89105581e-02 -1.34954626e-02 -1.46776053e-02] [-1.89105581e-02 1.34954626e-02 -1.46776053e-02] [ 1.89105581e-02 -1.34954626e-02 1.46776053e-02] [ 1.89105581e-02 1.34954626e-02 1.46776053e-02] [-3.67682387e-02 1.26565425e-14 -3.69039476e-02] [ 5.14720310e-02 -2.04766759e-14 -3.10458476e-02] [-5.14720310e-02 -1.32454811e-13 3.10458476e-02] [ 3.67682387e-02 -8.86485980e-14 3.69039476e-02] [ 9.11898054e-03 -1.73388997e-03 -1.44189920e-02] [-9.11898054e-03 -1.73388997e-03 1.44189920e-02] [ 9.11898055e-03 1.73388997e-03 -1.44189920e-02] [-9.11898054e-03 1.73388997e-03 1.44189920e-02] [-1.89105581e-02 -1.34954626e-02 -1.46776053e-02] [-1.89105581e-02 1.34954626e-02 -1.46776053e-02] [ 1.89105581e-02 -1.34954626e-02 1.46776053e-02] [ 1.89105581e-02 1.34954626e-02 1.46776053e-02] [-3.67682387e-02 -1.90737510e-13 -3.69039476e-02] [ 5.14720310e-02 -9.11575503e-15 -3.10458476e-02] [-5.14720310e-02 -1.79006983e-13 3.10458476e-02] [ 3.67682387e-02 -2.65382334e-14 3.69039476e-02] [ 9.11898054e-03 -1.73388997e-03 -1.44189920e-02] [-9.11898054e-03 -1.73388997e-03 1.44189920e-02] [ 9.11898055e-03 1.73388997e-03 -1.44189920e-02] [-9.11898054e-03 1.73388997e-03 1.44189920e-02]] Final stress: [ 1.29636442e-04 -2.66589894e-03 -2.68083630e-03 3.51341026e-17 -3.01297037e-03 6.02298903e-17] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.51622499e-02 -2.10887506e-03 -2.65798668e-14] [ 3.51622499e-02 2.10887506e-03 -1.85962357e-15] [-2.10905485e-03 -8.99251770e-04 1.40625359e-14] [ 2.10905485e-03 8.99251770e-04 7.24420524e-15] [ 8.03220337e-15 1.35464556e-14 -6.88633606e-03] [ 1.37945211e-14 6.18116669e-14 6.88633606e-03] [-3.51622499e-02 -2.10887506e-03 -1.79840384e-14] [ 3.51622499e-02 2.10887506e-03 -1.10677244e-14] [-2.10905485e-03 -8.99251770e-04 1.09696600e-14] [ 2.10905485e-03 8.99251770e-04 -1.48308596e-14] [ 5.40149522e-15 -3.97989611e-15 -6.88633606e-03] [-6.03033248e-14 -4.98454495e-15 6.88633606e-03] [ 1.38207452e-02 -9.97170190e-03 9.14759273e-03] [-1.38207452e-02 9.97170190e-03 9.14759273e-03] [-7.70258821e-03 -1.85481927e-02 4.54699566e-02] [ 7.70258821e-03 1.85481927e-02 4.54699566e-02] [ 1.38207452e-02 -9.97170190e-03 -9.14759273e-03] [-1.38207452e-02 9.97170190e-03 -9.14759273e-03] [ 7.70258821e-03 1.85481927e-02 -4.54699566e-02] [-7.70258821e-03 -1.85481927e-02 -4.54699566e-02] [ 1.38207452e-02 -9.97170190e-03 9.14759273e-03] [-1.38207452e-02 9.97170190e-03 9.14759273e-03] [-7.70258821e-03 -1.85481927e-02 4.54699566e-02] [ 7.70258821e-03 1.85481927e-02 4.54699566e-02] [ 1.38207452e-02 -9.97170190e-03 -9.14759273e-03] [-1.38207452e-02 9.97170190e-03 -9.14759273e-03] [ 7.70258821e-03 1.85481927e-02 -4.54699566e-02] [-7.70258821e-03 -1.85481927e-02 -4.54699566e-02] [ 4.88498131e-14 -2.87270208e-14 5.46229728e-14] [-1.37164585e-14 4.20276064e-15 -6.47332610e-16] [ 1.89105615e-02 -1.46775949e-02 -1.34954512e-02] [-1.89105615e-02 1.46775949e-02 -1.34954512e-02] [ 1.89105615e-02 -1.46775949e-02 1.34954512e-02] [-1.89105615e-02 1.46775949e-02 1.34954512e-02] [ 9.11894314e-03 1.44189963e-02 -1.73384452e-03] [ 9.11894314e-03 1.44189963e-02 1.73384452e-03] [-9.11894314e-03 -1.44189963e-02 -1.73384452e-03] [-9.11894314e-03 -1.44189963e-02 1.73384452e-03] [ 5.14719942e-02 3.10458948e-02 5.50670620e-14] [ 3.67682793e-02 -3.69039065e-02 -1.58657809e-14] [-3.67682793e-02 3.69039065e-02 1.03575135e-13] [-5.14719942e-02 -3.10458948e-02 -1.04916076e-14] [ 1.89105615e-02 -1.46775949e-02 -1.34954512e-02] [-1.89105615e-02 1.46775949e-02 -1.34954512e-02] [ 1.89105615e-02 -1.46775949e-02 1.34954512e-02] [-1.89105615e-02 1.46775949e-02 1.34954512e-02] [ 9.11894314e-03 1.44189963e-02 -1.73384452e-03] [ 9.11894314e-03 1.44189963e-02 1.73384452e-03] [-9.11894314e-03 -1.44189963e-02 -1.73384452e-03] [-9.11894314e-03 -1.44189963e-02 1.73384452e-03] [ 5.14719942e-02 3.10458948e-02 2.52680725e-13] [ 3.67682793e-02 -3.69039065e-02 8.26608560e-14] [-3.67682793e-02 3.69039065e-02 1.16962297e-13] [-5.14719942e-02 -3.10458948e-02 6.30728109e-14]] Final stress: [ 1.29636477e-04 -2.68083650e-03 -2.66589913e-03 -7.86334678e-17 1.67305251e-18 3.01297078e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.51622633e-02 2.10885939e-03 1.44771348e-14] [ 3.51622633e-02 -2.10885939e-03 1.70419234e-14] [ 2.10903575e-03 -8.99282458e-04 1.32359401e-15] [-2.10903575e-03 8.99282458e-04 -2.83939539e-14] [-2.12763834e-14 -1.61710922e-14 -6.88636393e-03] [-3.78030940e-14 -2.08721929e-14 6.88636393e-03] [-3.51622633e-02 2.10885939e-03 7.86375220e-15] [ 3.51622633e-02 -2.10885939e-03 -7.54346966e-15] [ 2.10903575e-03 -8.99282458e-04 3.77231690e-15] [-2.10903575e-03 8.99282458e-04 4.01591609e-16] [-3.24957075e-15 -2.18588778e-14 -6.88636393e-03] [ 5.03937170e-15 -2.70940497e-14 6.88636393e-03] [ 7.70259347e-03 -1.85481945e-02 -4.54699779e-02] [-7.70259347e-03 1.85481945e-02 -4.54699779e-02] [-1.38207571e-02 -9.97169960e-03 -9.14761603e-03] [ 1.38207571e-02 9.97169960e-03 -9.14761603e-03] [ 7.70259347e-03 -1.85481945e-02 4.54699779e-02] [-7.70259347e-03 1.85481945e-02 4.54699779e-02] [ 1.38207571e-02 9.97169960e-03 9.14761603e-03] [-1.38207571e-02 -9.97169960e-03 9.14761603e-03] [ 7.70259347e-03 -1.85481945e-02 -4.54699779e-02] [-7.70259347e-03 1.85481945e-02 -4.54699779e-02] [-1.38207571e-02 -9.97169960e-03 -9.14761603e-03] [ 1.38207571e-02 9.97169960e-03 -9.14761603e-03] [ 7.70259347e-03 -1.85481945e-02 4.54699779e-02] [-7.70259347e-03 1.85481945e-02 4.54699779e-02] [ 1.38207571e-02 9.97169960e-03 9.14761603e-03] [-1.38207571e-02 -9.97169960e-03 9.14761603e-03] [ 3.17801341e-14 -1.11466392e-13 3.46112028e-14] [ 2.65846373e-15 -5.28169935e-14 4.03228277e-14] [-1.89105461e-02 -1.46775929e-02 -1.34954496e-02] [ 1.89105461e-02 1.46775929e-02 -1.34954496e-02] [-1.89105461e-02 -1.46775929e-02 1.34954496e-02] [ 1.89105461e-02 1.46775929e-02 1.34954496e-02] [ 9.11898119e-03 -1.44189798e-02 -1.73386870e-03] [ 9.11898119e-03 -1.44189798e-02 1.73386870e-03] [-9.11898119e-03 1.44189798e-02 -1.73386870e-03] [-9.11898119e-03 1.44189798e-02 1.73386870e-03] [-3.67682652e-02 -3.69039478e-02 1.49991131e-13] [-5.14720522e-02 3.10458873e-02 3.47812057e-14] [ 5.14720522e-02 -3.10458873e-02 1.27214211e-13] [ 3.67682652e-02 3.69039478e-02 6.52532702e-14] [-1.89105461e-02 -1.46775929e-02 -1.34954496e-02] [ 1.89105461e-02 1.46775929e-02 -1.34954496e-02] [-1.89105461e-02 -1.46775929e-02 1.34954496e-02] [ 1.89105461e-02 1.46775929e-02 1.34954496e-02] [ 9.11898119e-03 -1.44189798e-02 -1.73386870e-03] [ 9.11898119e-03 -1.44189798e-02 1.73386870e-03] [-9.11898119e-03 1.44189798e-02 -1.73386870e-03] [-9.11898119e-03 1.44189798e-02 1.73386870e-03] [-3.67682652e-02 -3.69039478e-02 7.17229651e-16] [-5.14720522e-02 3.10458873e-02 9.06664067e-17] [ 5.14720522e-02 -3.10458873e-02 7.23542320e-15] [ 3.67682652e-02 3.69039478e-02 -4.24976894e-14]] Final stress: [ 1.29636221e-04 -2.68083662e-03 -2.66589925e-03 6.19029428e-17 2.34227351e-17 -3.01297096e-03] Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.61205304e-02 1.15948917e-14 1.41184807e-14] [-2.61205304e-02 -2.27040609e-14 1.68476344e-14] [ 4.02562098e-14 -7.89279482e-02 2.54414545e-14] [ 3.44169138e-15 7.89279482e-02 2.60069744e-14] [-5.45180220e-15 2.32795554e-14 -7.89279482e-02] [ 1.00475184e-14 4.52693438e-14 7.89279482e-02] [ 2.61205304e-02 3.81734575e-14 2.41478906e-14] [-2.61205304e-02 1.26370268e-14 -1.84693570e-14] [ 7.90817065e-15 -7.89279482e-02 2.13507066e-14] [-4.28823643e-15 7.89279482e-02 -1.68259679e-14] [-2.97305583e-14 9.61365754e-15 -7.89279482e-02] [ 1.11694508e-14 6.94001498e-15 7.89279482e-02] [-4.04598017e-02 -4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 -4.62425640e-03 4.62425640e-03] [-4.04598017e-02 4.62425640e-03 4.62425640e-03] [-4.04598017e-02 -4.62425640e-03 4.62425640e-03] [ 4.04598017e-02 4.62425640e-03 4.62425640e-03] [-4.04598017e-02 4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 -4.62425640e-03 -4.62425640e-03] [-4.04598017e-02 -4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 -4.62425640e-03 4.62425640e-03] [-4.04598017e-02 4.62425640e-03 4.62425640e-03] [-4.04598017e-02 -4.62425640e-03 4.62425640e-03] [ 4.04598017e-02 4.62425640e-03 4.62425640e-03] [-4.04598017e-02 4.62425640e-03 -4.62425640e-03] [ 4.04598017e-02 -4.62425640e-03 -4.62425640e-03] [ 1.35086387e-13 -8.85957974e-14 1.04805054e-13] [-2.17721674e-13 4.26109424e-14 -3.04665199e-14] [-1.25122135e-13 2.51373224e-02 2.51373224e-02] [ 4.74273398e-14 -2.51373224e-02 2.51373224e-02] [-1.36030076e-13 2.51373224e-02 -2.51373224e-02] [ 1.56436956e-14 -2.51373224e-02 -2.51373224e-02] [-2.12289828e-02 1.59872116e-14 5.60495303e-05] [-2.12289828e-02 9.27400517e-14 -5.60495304e-05] [ 2.12289828e-02 -1.40425865e-14 5.60495299e-05] [ 2.12289828e-02 7.16180587e-14 -5.60495302e-05] [-2.12289828e-02 5.60495306e-05 -2.47579734e-14] [ 2.12289828e-02 5.60495303e-05 1.00947029e-13] [-2.12289828e-02 -5.60495305e-05 -5.68000508e-14] [ 2.12289828e-02 -5.60495300e-05 -4.15899953e-14] [ 1.40651813e-13 2.51373224e-02 2.51373224e-02] [ 1.09396433e-13 -2.51373224e-02 2.51373224e-02] [ 1.25998170e-13 2.51373224e-02 -2.51373224e-02] [ 2.67815718e-13 -2.51373224e-02 -2.51373224e-02] [-2.12289828e-02 -1.91486607e-13 5.60495302e-05] [-2.12289828e-02 -2.50046945e-13 -5.60495303e-05] [ 2.12289828e-02 -2.91685079e-14 5.60495305e-05] [ 2.12289828e-02 -5.53203316e-14 -5.60495305e-05] [-2.12289828e-02 5.60495301e-05 6.25045136e-14] [ 2.12289828e-02 5.60495302e-05 4.75271135e-14] [-2.12289828e-02 -5.60495302e-05 6.23178131e-14] [ 2.12289828e-02 -5.60495304e-05 1.97758476e-14]] Final stress: [-5.57331156e-03 -2.57227475e-03 -2.57227475e-03 9.76435030e-17 -1.34680694e-17 6.39733295e-17] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.88651504e-03 -4.77543352e-14 3.62145210e-14] [ 6.88651504e-03 -1.04360964e-14 4.23272528e-14] [-9.60819965e-16 -3.51623385e-02 -2.10873217e-03] [-8.96505092e-15 3.51623385e-02 2.10873217e-03] [ 3.76434994e-15 -2.10888381e-03 -8.99444880e-04] [ 1.81799020e-14 2.10888381e-03 8.99444880e-04] [-6.88651504e-03 4.91967578e-15 5.03668084e-14] [ 6.88651504e-03 2.39292093e-14 -1.88406555e-15] [-1.19444385e-14 -3.51623385e-02 -2.10873217e-03] [-4.38624831e-15 3.51623385e-02 2.10873217e-03] [-6.47442169e-15 -2.10888381e-03 -8.99444880e-04] [-8.07730619e-15 2.10888381e-03 8.99444880e-04] [ 9.14776770e-03 1.38208120e-02 -9.97170135e-03] [ 4.54701225e-02 -7.70263614e-03 -1.85481882e-02] [ 4.54701225e-02 7.70263614e-03 1.85481882e-02] [ 9.14776770e-03 -1.38208120e-02 9.97170135e-03] [-4.54701225e-02 7.70263614e-03 1.85481882e-02] [-9.14776770e-03 -1.38208120e-02 9.97170135e-03] [-4.54701225e-02 -7.70263614e-03 -1.85481882e-02] [-9.14776770e-03 1.38208120e-02 -9.97170135e-03] [ 9.14776770e-03 1.38208120e-02 -9.97170135e-03] [ 4.54701225e-02 -7.70263614e-03 -1.85481882e-02] [ 4.54701225e-02 7.70263614e-03 1.85481882e-02] [ 9.14776770e-03 -1.38208120e-02 9.97170135e-03] [-4.54701225e-02 7.70263614e-03 1.85481882e-02] [-9.14776770e-03 -1.38208120e-02 9.97170135e-03] [-4.54701225e-02 -7.70263614e-03 -1.85481882e-02] [-9.14776770e-03 1.38208120e-02 -9.97170135e-03] [ 1.08107967e-13 -1.18821619e-13 -2.24542607e-14] [-1.65146109e-13 -8.18362746e-15 -2.29934491e-15] [-4.17443857e-14 5.14723072e-02 3.10458917e-02] [-1.01521222e-13 3.67682305e-02 -3.69041123e-02] [-1.50764817e-14 -3.67682305e-02 3.69041123e-02] [-2.90496793e-14 -5.14723072e-02 -3.10458917e-02] [-1.34954282e-02 1.89104745e-02 -1.46775705e-02] [-1.34954282e-02 -1.89104745e-02 1.46775705e-02] [ 1.34954282e-02 1.89104745e-02 -1.46775705e-02] [ 1.34954282e-02 -1.89104745e-02 1.46775705e-02] [-1.73394596e-03 9.11913763e-03 1.44189030e-02] [ 1.73394596e-03 9.11913763e-03 1.44189030e-02] [-1.73394596e-03 -9.11913763e-03 -1.44189030e-02] [ 1.73394596e-03 -9.11913763e-03 -1.44189030e-02] [-3.73620405e-14 5.14723072e-02 3.10458917e-02] [ 7.22360539e-14 3.67682305e-02 -3.69041123e-02] [ 1.88997689e-13 -3.67682305e-02 3.69041123e-02] [ 6.08935645e-14 -5.14723072e-02 -3.10458917e-02] [-1.34954282e-02 1.89104745e-02 -1.46775705e-02] [-1.34954282e-02 -1.89104745e-02 1.46775705e-02] [ 1.34954282e-02 1.89104745e-02 -1.46775705e-02] [ 1.34954282e-02 -1.89104745e-02 1.46775705e-02] [-1.73394596e-03 9.11913763e-03 1.44189030e-02] [ 1.73394596e-03 9.11913763e-03 1.44189030e-02] [-1.73394596e-03 -9.11913763e-03 -1.44189030e-02] [ 1.73394596e-03 -9.11913763e-03 -1.44189030e-02]] Final stress: [-2.66590002e-03 1.29634980e-04 -2.68083742e-03 3.01297237e-03 -1.67305251e-18 -7.69604153e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.88645532e-03 2.91407523e-14 2.18969808e-14] [ 6.88645532e-03 2.60624855e-14 5.22637489e-14] [ 3.52725661e-14 -3.51623063e-02 2.10880133e-03] [-5.71764858e-15 3.51623063e-02 -2.10880133e-03] [ 1.21699525e-14 2.10896592e-03 -8.99382465e-04] [-1.04916076e-14 -2.10896592e-03 8.99382465e-04] [-6.88645532e-03 2.25501041e-14 -8.33877848e-15] [ 6.88645532e-03 2.05096357e-14 -1.93164136e-14] [-4.62347174e-15 -3.51623063e-02 2.10880133e-03] [ 2.18622863e-14 3.51623063e-02 -2.10880133e-03] [ 1.58631788e-14 2.10896592e-03 -8.99382465e-04] [ 1.49320660e-14 -2.10896592e-03 8.99382465e-04] [-4.54700516e-02 7.70261265e-03 -1.85481976e-02] [-9.14769607e-03 -1.38207940e-02 -9.97169415e-03] [-9.14769607e-03 1.38207940e-02 9.97169415e-03] [-4.54700516e-02 -7.70261265e-03 1.85481976e-02] [ 9.14769607e-03 1.38207940e-02 9.97169415e-03] [ 4.54700516e-02 -7.70261265e-03 1.85481976e-02] [ 9.14769607e-03 -1.38207940e-02 -9.97169415e-03] [ 4.54700516e-02 7.70261265e-03 -1.85481976e-02] [-4.54700516e-02 7.70261265e-03 -1.85481976e-02] [-9.14769607e-03 -1.38207940e-02 -9.97169415e-03] [-9.14769607e-03 1.38207940e-02 9.97169415e-03] [-4.54700516e-02 -7.70261265e-03 1.85481976e-02] [ 9.14769607e-03 1.38207940e-02 9.97169415e-03] [ 4.54700516e-02 -7.70261265e-03 1.85481976e-02] [ 9.14769607e-03 -1.38207940e-02 -9.97169415e-03] [ 4.54700516e-02 7.70261265e-03 -1.85481976e-02] [ 1.59150471e-13 -6.98607838e-14 1.25066624e-13] [-1.72189086e-13 4.80570445e-14 -7.35268571e-14] [-3.64153152e-14 -3.67682168e-02 -3.69040810e-02] [-7.78144910e-14 -5.14722413e-02 3.10458600e-02] [-8.18234369e-14 5.14722413e-02 -3.10458600e-02] [-2.40428879e-14 3.67682168e-02 3.69040810e-02] [-1.34954430e-02 -1.89104974e-02 -1.46775851e-02] [-1.34954430e-02 1.89104974e-02 1.46775851e-02] [ 1.34954430e-02 -1.89104974e-02 -1.46775851e-02] [ 1.34954430e-02 1.89104974e-02 1.46775851e-02] [-1.73394795e-03 9.11910666e-03 -1.44189272e-02] [ 1.73394795e-03 9.11910666e-03 -1.44189272e-02] [-1.73394795e-03 -9.11910666e-03 1.44189272e-02] [ 1.73394795e-03 -9.11910666e-03 1.44189272e-02] [ 1.00397121e-13 -3.67682168e-02 -3.69040810e-02] [ 1.11425626e-13 -5.14722413e-02 3.10458600e-02] [ 9.28814317e-14 5.14722413e-02 -3.10458600e-02] [ 6.03328151e-14 3.67682168e-02 3.69040810e-02] [-1.34954430e-02 -1.89104974e-02 -1.46775851e-02] [-1.34954430e-02 1.89104974e-02 1.46775851e-02] [ 1.34954430e-02 -1.89104974e-02 -1.46775851e-02] [ 1.34954430e-02 1.89104974e-02 1.46775851e-02] [-1.73394795e-03 9.11910666e-03 -1.44189272e-02] [ 1.73394795e-03 9.11910666e-03 -1.44189272e-02] [-1.73394795e-03 -9.11910666e-03 1.44189272e-02] [ 1.73394795e-03 -9.11910666e-03 1.44189272e-02]] Final stress: [-2.66589962e-03 1.29635393e-04 -2.68083701e-03 -3.01297161e-03 -1.67305251e-17 7.36143103e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.45420806e-03 -1.30472889e-14 2.23154403e-04] [ 2.45420806e-03 -3.35564909e-14 -2.23154403e-04] [ 4.61033121e-14 3.03941175e-02 3.01577339e-14] [ 4.79893902e-14 -3.03941175e-02 2.28705943e-14] [ 2.23154404e-04 -1.92372160e-14 -2.45420806e-03] [-2.23154403e-04 -1.02140518e-14 2.45420806e-03] [-2.45420806e-03 2.63894809e-14 2.23154403e-04] [ 2.45420806e-03 2.61500890e-14 -2.23154403e-04] [-2.87231176e-14 3.03941175e-02 -1.14300794e-14] [-3.42312984e-14 -3.03941175e-02 -4.51616216e-14] [ 2.23154403e-04 4.41900931e-15 -2.45420806e-03] [-2.23154403e-04 8.58153746e-15 2.45420806e-03] [ 8.11780259e-03 2.15538602e-02 8.11780259e-03] [-1.63414560e-02 3.58691283e-02 1.63414560e-02] [-8.11780259e-03 2.15538602e-02 -8.11780259e-03] [ 1.63414560e-02 3.58691283e-02 -1.63414560e-02] [ 1.63414560e-02 -3.58691283e-02 -1.63414560e-02] [-8.11780259e-03 -2.15538602e-02 -8.11780259e-03] [ 8.11780259e-03 -2.15538602e-02 8.11780259e-03] [-1.63414560e-02 -3.58691283e-02 1.63414560e-02] [ 8.11780259e-03 2.15538602e-02 8.11780259e-03] [-1.63414560e-02 3.58691283e-02 1.63414560e-02] [-8.11780259e-03 2.15538602e-02 -8.11780259e-03] [ 1.63414560e-02 3.58691283e-02 -1.63414560e-02] [ 1.63414560e-02 -3.58691283e-02 -1.63414560e-02] [-8.11780259e-03 -2.15538602e-02 -8.11780259e-03] [ 8.11780259e-03 -2.15538602e-02 8.11780259e-03] [-1.63414560e-02 -3.58691283e-02 1.63414560e-02] [ 2.47440957e-13 -2.13717932e-13 1.94094740e-13] [-1.31681558e-13 -6.89895883e-14 -1.77964265e-14] [ 3.55795103e-02 2.22277836e-02 -6.93780922e-03] [ 3.55795103e-02 -2.22277836e-02 -6.93780922e-03] [-3.55795103e-02 2.22277836e-02 6.93780922e-03] [-3.55795103e-02 -2.22277836e-02 6.93780922e-03] [ 4.15835195e-02 -5.39568390e-14 4.15835195e-02] [-5.84160798e-03 -3.68594044e-14 5.84160798e-03] [ 5.84160798e-03 -4.46344350e-14 -5.84160798e-03] [-4.15835195e-02 8.94718327e-14 -4.15835195e-02] [-6.93780922e-03 2.22277836e-02 3.55795103e-02] [ 6.93780922e-03 2.22277836e-02 -3.55795103e-02] [-6.93780922e-03 -2.22277836e-02 3.55795103e-02] [ 6.93780922e-03 -2.22277836e-02 -3.55795103e-02] [ 3.55795103e-02 2.22277836e-02 -6.93780922e-03] [ 3.55795103e-02 -2.22277836e-02 -6.93780922e-03] [-3.55795103e-02 2.22277836e-02 6.93780922e-03] [-3.55795103e-02 -2.22277836e-02 6.93780922e-03] [ 4.15835195e-02 -1.32912375e-13 4.15835195e-02] [-5.84160798e-03 -8.39788308e-14 5.84160798e-03] [ 5.84160798e-03 -1.52816995e-13 -5.84160798e-03] [-4.15835195e-02 -1.08608001e-13 -4.15835195e-02] [-6.93780922e-03 2.22277836e-02 3.55795103e-02] [ 6.93780922e-03 2.22277836e-02 -3.55795103e-02] [-6.93780922e-03 -2.22277836e-02 3.55795103e-02] [ 6.93780922e-03 -2.22277836e-02 -3.55795103e-02]] Final stress: [ 2.29042571e-03 -4.82579626e-05 2.29042571e-03 -3.30453768e-18 2.90932152e-03 -3.30453768e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.45420806e-03 2.19681044e-15 -2.23154406e-04] [ 2.45420806e-03 4.27713420e-14 2.23154406e-04] [ 1.62708388e-14 3.03941175e-02 3.00844419e-14] [-1.54321000e-14 -3.03941175e-02 5.27355937e-16] [-2.23154406e-04 1.22640613e-14 -2.45420806e-03] [ 2.23154406e-04 3.23074900e-14 2.45420806e-03] [-2.45420806e-03 1.12670290e-14 -2.23154406e-04] [ 2.45420806e-03 -3.60215330e-15 2.23154406e-04] [-4.60256833e-14 3.03941175e-02 -4.67436962e-14] [-1.91873427e-14 -3.03941175e-02 -2.75521895e-14] [-2.23154406e-04 1.98155849e-14 -2.45420806e-03] [ 2.23154406e-04 -1.56160620e-14 2.45420806e-03] [ 1.63414560e-02 -3.58691283e-02 1.63414560e-02] [-8.11780259e-03 -2.15538602e-02 8.11780259e-03] [-1.63414560e-02 -3.58691283e-02 -1.63414560e-02] [ 8.11780259e-03 -2.15538602e-02 -8.11780259e-03] [ 8.11780259e-03 2.15538602e-02 -8.11780259e-03] [-1.63414560e-02 3.58691283e-02 -1.63414560e-02] [ 1.63414560e-02 3.58691283e-02 1.63414560e-02] [-8.11780259e-03 2.15538602e-02 8.11780259e-03] [ 1.63414560e-02 -3.58691283e-02 1.63414560e-02] [-8.11780259e-03 -2.15538602e-02 8.11780259e-03] [-1.63414560e-02 -3.58691283e-02 -1.63414560e-02] [ 8.11780259e-03 -2.15538602e-02 -8.11780259e-03] [ 8.11780259e-03 2.15538602e-02 -8.11780259e-03] [-1.63414560e-02 3.58691283e-02 -1.63414560e-02] [ 1.63414560e-02 3.58691283e-02 1.63414560e-02] [-8.11780259e-03 2.15538602e-02 8.11780259e-03] [ 1.66644476e-13 -1.34031675e-13 1.91180405e-13] [-7.57553742e-14 -8.53202900e-14 -7.66385416e-14] [-3.55795103e-02 2.22277836e-02 -6.93780921e-03] [-3.55795103e-02 -2.22277836e-02 -6.93780921e-03] [ 3.55795103e-02 2.22277836e-02 6.93780921e-03] [ 3.55795103e-02 -2.22277836e-02 6.93780921e-03] [-5.84160798e-03 -1.03250741e-14 -5.84160798e-03] [ 4.15835195e-02 -5.40956169e-14 -4.15835195e-02] [-4.15835195e-02 -3.83425930e-14 4.15835195e-02] [ 5.84160798e-03 -1.10239492e-13 5.84160798e-03] [-6.93780921e-03 2.22277836e-02 -3.55795103e-02] [ 6.93780921e-03 2.22277836e-02 3.55795103e-02] [-6.93780921e-03 -2.22277836e-02 -3.55795103e-02] [ 6.93780921e-03 -2.22277836e-02 3.55795103e-02] [-3.55795103e-02 2.22277836e-02 -6.93780921e-03] [-3.55795103e-02 -2.22277836e-02 -6.93780921e-03] [ 3.55795103e-02 2.22277836e-02 6.93780921e-03] [ 3.55795103e-02 -2.22277836e-02 6.93780921e-03] [-5.84160798e-03 -1.62755229e-13 -5.84160798e-03] [ 4.15835195e-02 -5.53651092e-14 -4.15835195e-02] [-4.15835195e-02 -1.07700307e-13 4.15835195e-02] [ 5.84160798e-03 -2.04953242e-14 5.84160798e-03] [-6.93780921e-03 2.22277836e-02 -3.55795103e-02] [ 6.93780921e-03 2.22277836e-02 3.55795103e-02] [-6.93780921e-03 -2.22277836e-02 -3.55795103e-02] [ 6.93780921e-03 -2.22277836e-02 3.55795103e-02]] Final stress: [ 2.29042571e-03 -4.82579627e-05 2.29042571e-03 2.47840326e-17 -2.90932152e-03 -2.47840326e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.12190635e-03 3.59304600e-15 3.66830394e-03] [ 2.12190635e-03 3.86080057e-14 -3.66830394e-03] [ 3.17812183e-14 -4.47376501e-02 1.58317370e-14] [-1.41275880e-14 4.47376501e-02 -8.32667268e-16] [ 3.66830394e-03 8.08034195e-15 -2.12190635e-03] [-3.66830394e-03 -1.34059430e-14 2.12190635e-03] [-2.12190635e-03 4.47831876e-14 3.66830394e-03] [ 2.12190635e-03 -1.48969378e-15 -3.66830394e-03] [-3.88066315e-14 -4.47376501e-02 -3.68728146e-14] [ 3.00931155e-15 4.47376501e-02 -2.10042182e-14] [ 3.66830394e-03 -2.23807742e-14 -2.12190635e-03] [-3.66830394e-03 -4.84699739e-15 2.12190635e-03] [-1.30409086e-02 3.41188712e-02 -1.30409086e-02] [ 1.34550330e-02 1.58224563e-02 -1.34550330e-02] [ 1.30409086e-02 3.41188712e-02 1.30409086e-02] [-1.34550330e-02 1.58224563e-02 1.34550330e-02] [-1.34550330e-02 -1.58224563e-02 1.34550330e-02] [ 1.30409086e-02 -3.41188712e-02 1.30409086e-02] [-1.30409086e-02 -3.41188712e-02 -1.30409086e-02] [ 1.34550330e-02 -1.58224563e-02 -1.34550330e-02] [-1.30409086e-02 3.41188712e-02 -1.30409086e-02] [ 1.34550330e-02 1.58224563e-02 -1.34550330e-02] [ 1.30409086e-02 3.41188712e-02 1.30409086e-02] [-1.34550330e-02 1.58224563e-02 1.34550330e-02] [-1.34550330e-02 -1.58224563e-02 1.34550330e-02] [ 1.30409086e-02 -3.41188712e-02 1.30409086e-02] [-1.30409086e-02 -3.41188712e-02 -1.30409086e-02] [ 1.34550330e-02 -1.58224563e-02 -1.34550330e-02] [ 6.50590692e-14 -4.27713420e-14 1.81743509e-13] [-1.88080888e-13 6.60218694e-14 -3.60685806e-14] [ 1.52883046e-02 8.05320724e-03 -3.66417788e-05] [ 1.52883046e-02 -8.05320724e-03 -3.66417789e-05] [-1.52883046e-02 8.05320723e-03 3.66417788e-05] [-1.52883046e-02 -8.05320723e-03 3.66417789e-05] [ 2.38732806e-02 -3.24185123e-14 2.38732806e-02] [-4.82283574e-02 -4.95575803e-14 4.82283574e-02] [ 4.82283574e-02 3.84761667e-15 -4.82283574e-02] [-2.38732806e-02 3.93088340e-14 -2.38732806e-02] [-3.66417787e-05 8.05320723e-03 1.52883046e-02] [ 3.66417785e-05 8.05320723e-03 -1.52883046e-02] [-3.66417787e-05 -8.05320723e-03 1.52883046e-02] [ 3.66417783e-05 -8.05320723e-03 -1.52883046e-02] [ 1.52883046e-02 8.05320723e-03 -3.66417784e-05] [ 1.52883046e-02 -8.05320723e-03 -3.66417785e-05] [-1.52883046e-02 8.05320723e-03 3.66417786e-05] [-1.52883046e-02 -8.05320723e-03 3.66417787e-05] [ 2.38732806e-02 -1.78880373e-13 2.38732806e-02] [-4.82283574e-02 -1.78292710e-13 4.82283574e-02] [ 4.82283574e-02 3.85728775e-14 -4.82283574e-02] [-2.38732806e-02 1.28885617e-14 -2.38732806e-02] [-3.66417789e-05 8.05320723e-03 1.52883046e-02] [ 3.66417792e-05 8.05320724e-03 -1.52883046e-02] [-3.66417788e-05 -8.05320723e-03 1.52883046e-02] [ 3.66417789e-05 -8.05320723e-03 -1.52883046e-02]] Final stress: [-2.50463711e-03 2.62276076e-04 -2.50463711e-03 1.67305210e-18 2.91114956e-03 -1.50574689e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.12224127e-03 -1.31014991e-14 -3.66869316e-03] [ 2.12224127e-03 -3.42781359e-14 3.66869316e-03] [ 5.76405243e-14 -4.47378112e-02 2.07906609e-15] [ 6.65301148e-14 4.47378112e-02 8.27116153e-15] [-3.66869316e-03 -9.30592409e-15 -2.12224127e-03] [ 3.66869316e-03 9.29811783e-15 2.12224127e-03] [-2.12224127e-03 -1.54160539e-14 -3.66869316e-03] [ 2.12224127e-03 3.27732633e-14 3.66869316e-03] [ 1.98539102e-15 -4.47378112e-02 1.28983806e-15] [-1.13624388e-15 4.47378112e-02 -1.13957170e-14] [-3.66869316e-03 -1.24242695e-14 -2.12224127e-03] [ 3.66869316e-03 -1.09802904e-15 2.12224127e-03] [-1.34550248e-02 -1.58226622e-02 -1.34550248e-02] [ 1.30408983e-02 -3.41193059e-02 -1.30408983e-02] [ 1.34550248e-02 -1.58226622e-02 1.34550248e-02] [-1.30408983e-02 -3.41193059e-02 1.30408983e-02] [-1.30408983e-02 3.41193059e-02 1.30408983e-02] [ 1.34550248e-02 1.58226622e-02 1.34550248e-02] [-1.34550248e-02 1.58226622e-02 -1.34550248e-02] [ 1.30408983e-02 3.41193059e-02 -1.30408983e-02] [-1.34550248e-02 -1.58226622e-02 -1.34550248e-02] [ 1.30408983e-02 -3.41193059e-02 -1.30408983e-02] [ 1.34550248e-02 -1.58226622e-02 1.34550248e-02] [-1.30408983e-02 -3.41193059e-02 1.30408983e-02] [-1.30408983e-02 3.41193059e-02 1.30408983e-02] [ 1.34550248e-02 1.58226622e-02 1.34550248e-02] [-1.34550248e-02 1.58226622e-02 -1.34550248e-02] [ 1.30408983e-02 3.41193059e-02 -1.30408983e-02] [ 2.58126853e-15 -2.63677968e-14 7.48845430e-14] [-4.63531123e-14 1.51275128e-14 1.19970223e-14] [-1.52881457e-02 8.05349874e-03 -3.67650712e-05] [-1.52881457e-02 -8.05349874e-03 -3.67650712e-05] [ 1.52881457e-02 8.05349874e-03 3.67650712e-05] [ 1.52881457e-02 -8.05349874e-03 3.67650711e-05] [-4.82284883e-02 -4.08562073e-14 -4.82284883e-02] [ 2.38735577e-02 2.40207160e-14 -2.38735577e-02] [-2.38735577e-02 -2.00221784e-14 2.38735577e-02] [ 4.82284883e-02 -2.22044605e-15 4.82284883e-02] [-3.67650711e-05 8.05349874e-03 -1.52881457e-02] [ 3.67650711e-05 8.05349874e-03 1.52881457e-02] [-3.67650711e-05 -8.05349874e-03 -1.52881457e-02] [ 3.67650711e-05 -8.05349874e-03 1.52881457e-02] [-1.52881457e-02 8.05349874e-03 -3.67650710e-05] [-1.52881457e-02 -8.05349874e-03 -3.67650711e-05] [ 1.52881457e-02 8.05349874e-03 3.67650712e-05] [ 1.52881457e-02 -8.05349874e-03 3.67650711e-05] [-4.82284883e-02 3.18324400e-14 -4.82284883e-02] [ 2.38735577e-02 -2.10359074e-14 -2.38735577e-02] [-2.38735577e-02 -6.42719385e-14 2.38735577e-02] [ 4.82284883e-02 -1.97788834e-14 4.82284883e-02] [-3.67650712e-05 8.05349874e-03 -1.52881457e-02] [ 3.67650714e-05 8.05349874e-03 1.52881457e-02] [-3.67650712e-05 -8.05349874e-03 -1.52881457e-02] [ 3.67650713e-05 -8.05349874e-03 1.52881457e-02]] Final stress: [-2.50463764e-03 2.62274564e-04 -2.50463764e-03 -2.67688335e-17 -2.91115259e-03 -3.34610419e-17] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.99334447e-04 -2.10900227e-03 1.98504407e-14] [ 8.99334447e-04 2.10900227e-03 -3.60822483e-15] [-2.10883151e-03 -3.51622849e-02 5.22585447e-17] [ 2.10883150e-03 3.51622849e-02 6.46704912e-15] [ 7.46291050e-14 -1.07171216e-14 -6.88641125e-03] [ 1.08413278e-13 -2.31203945e-14 6.88641125e-03] [-8.99334447e-04 -2.10900227e-03 -2.82693876e-15] [ 8.99334447e-04 2.10900227e-03 -2.63639983e-14] [-2.10883151e-03 -3.51622849e-02 -1.17798911e-14] [ 2.10883150e-03 3.51622849e-02 -1.51824856e-15] [-1.64794393e-14 -8.67924507e-15 -6.88641125e-03] [ 2.79502983e-14 -2.36501492e-14 6.88641125e-03] [-9.97169598e-03 1.38207765e-02 9.14765601e-03] [ 9.97169598e-03 -1.38207765e-02 9.14765601e-03] [ 1.85481968e-02 7.70260255e-03 4.54700142e-02] [-1.85481968e-02 -7.70260255e-03 4.54700142e-02] [-9.97169598e-03 1.38207765e-02 -9.14765601e-03] [ 9.97169598e-03 -1.38207765e-02 -9.14765601e-03] [-1.85481968e-02 -7.70260255e-03 -4.54700142e-02] [ 1.85481968e-02 7.70260255e-03 -4.54700142e-02] [-9.97169598e-03 1.38207765e-02 9.14765601e-03] [ 9.97169598e-03 -1.38207765e-02 9.14765601e-03] [ 1.85481968e-02 7.70260255e-03 4.54700142e-02] [-1.85481968e-02 -7.70260255e-03 4.54700142e-02] [-9.97169598e-03 1.38207765e-02 -9.14765601e-03] [ 9.97169598e-03 -1.38207765e-02 -9.14765601e-03] [-1.85481968e-02 -7.70260255e-03 -4.54700142e-02] [ 1.85481968e-02 7.70260255e-03 -4.54700142e-02] [ 1.59872116e-13 -1.58761893e-14 7.23032745e-14] [ 2.28055422e-14 -2.75464940e-15 -2.97142343e-15] [ 1.44189517e-02 9.11905239e-03 -1.73391612e-03] [-1.44189517e-02 -9.11905239e-03 -1.73391612e-03] [ 1.44189517e-02 9.11905239e-03 1.73391612e-03] [-1.44189517e-02 -9.11905239e-03 1.73391612e-03] [-1.46775897e-02 1.89105202e-02 -1.34954471e-02] [-1.46775897e-02 1.89105202e-02 1.34954471e-02] [ 1.46775897e-02 -1.89105202e-02 -1.34954471e-02] [ 1.46775897e-02 -1.89105202e-02 1.34954471e-02] [ 3.10458667e-02 5.14721567e-02 3.80806497e-14] [ 3.69040229e-02 -3.67682342e-02 1.40928935e-14] [-3.69040229e-02 3.67682342e-02 4.86468504e-14] [-3.10458667e-02 -5.14721567e-02 1.03458908e-14] [ 1.44189517e-02 9.11905239e-03 -1.73391612e-03] [-1.44189517e-02 -9.11905239e-03 -1.73391612e-03] [ 1.44189517e-02 9.11905239e-03 1.73391612e-03] [-1.44189517e-02 -9.11905239e-03 1.73391612e-03] [-1.46775897e-02 1.89105202e-02 -1.34954471e-02] [-1.46775897e-02 1.89105202e-02 1.34954471e-02] [ 1.46775897e-02 -1.89105202e-02 -1.34954471e-02] [ 1.46775897e-02 -1.89105202e-02 1.34954471e-02] [ 3.10458667e-02 5.14721567e-02 1.67280617e-13] [ 3.69040229e-02 -3.67682342e-02 4.84344654e-14] [-3.69040229e-02 3.67682342e-02 5.50436128e-14] [-3.10458667e-02 -5.14721567e-02 4.84677402e-14]] Final stress: [-2.68083680e-03 1.29635779e-04 -2.66589942e-03 -3.17879976e-17 -7.19412578e-17 3.01297127e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.99389595e-04 2.10895678e-03 3.87025481e-14] [ 8.99389594e-04 -2.10895678e-03 3.76643161e-14] [ 2.10879373e-03 -3.51623102e-02 -6.86668604e-15] [-2.10879373e-03 3.51623102e-02 -9.93649607e-15] [-3.87728044e-14 -7.78500528e-15 -6.88646212e-03] [-2.06501483e-14 -4.89330798e-14 6.88646212e-03] [-8.99389595e-04 2.10895678e-03 -2.62940711e-15] [ 8.99389595e-04 -2.10895678e-03 -2.25651000e-14] [ 2.10879373e-03 -3.51623102e-02 6.71264973e-15] [-2.10879373e-03 3.51623102e-02 -1.51997781e-14] [-6.73428327e-14 -2.02103925e-14 -6.88646212e-03] [-4.99227396e-14 1.18121692e-14 6.88646212e-03] [-1.85481967e-02 7.70261529e-03 -4.54700596e-02] [ 1.85481967e-02 -7.70261529e-03 -4.54700596e-02] [ 9.97169492e-03 1.38207962e-02 -9.14770413e-03] [-9.97169492e-03 -1.38207962e-02 -9.14770413e-03] [-1.85481967e-02 7.70261529e-03 4.54700596e-02] [ 1.85481967e-02 -7.70261529e-03 4.54700596e-02] [-9.97169492e-03 -1.38207962e-02 9.14770413e-03] [ 9.97169492e-03 1.38207962e-02 9.14770413e-03] [-1.85481967e-02 7.70261529e-03 -4.54700596e-02] [ 1.85481967e-02 -7.70261529e-03 -4.54700596e-02] [ 9.97169492e-03 1.38207962e-02 -9.14770413e-03] [-9.97169492e-03 -1.38207962e-02 -9.14770413e-03] [-1.85481967e-02 7.70261529e-03 4.54700596e-02] [ 1.85481967e-02 -7.70261529e-03 4.54700596e-02] [-9.97169492e-03 -1.38207962e-02 9.14770413e-03] [ 9.97169492e-03 1.38207962e-02 9.14770413e-03] [ 1.23234756e-13 -6.82787160e-14 8.90676422e-14] [-2.49819262e-13 -3.38707198e-14 1.09086593e-14] [-1.44189245e-02 9.11910872e-03 -1.73394631e-03] [ 1.44189245e-02 -9.11910872e-03 -1.73394631e-03] [-1.44189245e-02 9.11910872e-03 1.73394631e-03] [ 1.44189245e-02 -9.11910872e-03 1.73394631e-03] [-1.46775834e-02 -1.89104947e-02 -1.34954412e-02] [-1.46775834e-02 -1.89104947e-02 1.34954412e-02] [ 1.46775834e-02 1.89104947e-02 -1.34954412e-02] [ 1.46775834e-02 1.89104947e-02 1.34954412e-02] [-3.69040834e-02 -3.67682199e-02 1.49880108e-13] [-3.10458653e-02 5.14722474e-02 -3.51975393e-14] [ 3.10458653e-02 -5.14722474e-02 1.08616241e-13] [ 3.69040834e-02 3.67682199e-02 -1.18421867e-13] [-1.44189245e-02 9.11910872e-03 -1.73394631e-03] [ 1.44189245e-02 -9.11910872e-03 -1.73394631e-03] [-1.44189245e-02 9.11910872e-03 1.73394631e-03] [ 1.44189245e-02 -9.11910872e-03 1.73394631e-03] [-1.46775834e-02 -1.89104947e-02 -1.34954412e-02] [-1.46775834e-02 -1.89104947e-02 1.34954412e-02] [ 1.46775834e-02 1.89104947e-02 -1.34954412e-02] [ 1.46775834e-02 1.89104947e-02 1.34954412e-02] [-3.69040834e-02 -3.67682199e-02 7.03946549e-14] [-3.10458653e-02 5.14722474e-02 4.24888531e-14] [ 3.10458653e-02 -5.14722474e-02 2.25913906e-13] [ 3.69040834e-02 3.67682199e-02 9.82798912e-14]] Final stress: [-2.68083706e-03 1.29635348e-04 -2.66589967e-03 1.67305251e-17 -4.18263127e-17 -3.01297170e-03] Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.88626130e-03 -1.71087103e-15 -5.55198248e-15] [ 6.88626130e-03 -8.27116153e-15 -6.27276009e-15] [ 4.56332021e-14 -8.99171330e-04 -2.10912902e-03] [ 4.09394740e-14 8.99171330e-04 2.10912902e-03] [-4.46864767e-15 -2.10893704e-03 -3.51622125e-02] [ 4.60742555e-15 2.10893704e-03 3.51622125e-02] [-6.88626130e-03 -3.76131418e-14 -3.07476009e-15] [ 6.88626130e-03 -1.32329044e-14 5.78820981e-15] [ 1.46692554e-14 -8.99171330e-04 -2.10912902e-03] [ 9.27556643e-15 8.99171330e-04 2.10912902e-03] [-4.56956521e-14 -2.10893704e-03 -3.51622125e-02] [-1.28304485e-14 2.10893704e-03 3.51622125e-02] [ 9.14751819e-03 -9.97170132e-03 1.38207177e-02] [ 4.54698855e-02 1.85481954e-02 7.70256736e-03] [ 4.54698855e-02 -1.85481954e-02 -7.70256736e-03] [ 9.14751819e-03 9.97170132e-03 -1.38207177e-02] [-4.54698855e-02 -1.85481954e-02 -7.70256736e-03] [-9.14751819e-03 9.97170132e-03 -1.38207177e-02] [-4.54698855e-02 1.85481954e-02 7.70256736e-03] [-9.14751819e-03 -9.97170132e-03 1.38207177e-02] [ 9.14751819e-03 -9.97170132e-03 1.38207177e-02] [ 4.54698855e-02 1.85481954e-02 7.70256736e-03] [ 4.54698855e-02 -1.85481954e-02 -7.70256736e-03] [ 9.14751819e-03 9.97170132e-03 -1.38207177e-02] [-4.54698855e-02 -1.85481954e-02 -7.70256736e-03] [-9.14751819e-03 9.97170132e-03 -1.38207177e-02] [-4.54698855e-02 1.85481954e-02 7.70256736e-03] [-9.14751819e-03 -9.97170132e-03 1.38207177e-02] [ 9.93372051e-14 -3.87190280e-14 4.24937863e-14] [-3.95508279e-14 -2.25488570e-13 -2.74938780e-14] [-7.17204074e-14 3.10458915e-02 5.14718685e-02] [ 1.60080282e-14 3.69038254e-02 -3.67682954e-02] [-2.17707796e-14 -3.69038254e-02 3.67682954e-02] [ 5.75355735e-14 -3.10458915e-02 -5.14718685e-02] [-1.73380697e-03 1.44190344e-02 9.11886653e-03] [-1.73380697e-03 -1.44190344e-02 -9.11886653e-03] [ 1.73380697e-03 1.44190344e-02 9.11886653e-03] [ 1.73380697e-03 -1.44190344e-02 -9.11886653e-03] [-1.34954617e-02 -1.46776058e-02 1.89105971e-02] [ 1.34954617e-02 -1.46776058e-02 1.89105971e-02] [-1.34954617e-02 1.46776058e-02 -1.89105971e-02] [ 1.34954617e-02 1.46776058e-02 -1.89105971e-02] [ 8.85866901e-14 3.10458915e-02 5.14718685e-02] [ 7.27677467e-14 3.69038254e-02 -3.67682954e-02] [ 4.26794017e-14 -3.69038254e-02 3.67682954e-02] [ 1.17436443e-14 -3.10458915e-02 -5.14718685e-02] [-1.73380697e-03 1.44190344e-02 9.11886653e-03] [-1.73380697e-03 -1.44190344e-02 -9.11886653e-03] [ 1.73380697e-03 1.44190344e-02 9.11886653e-03] [ 1.73380697e-03 -1.44190344e-02 -9.11886653e-03] [-1.34954617e-02 -1.46776058e-02 1.89105971e-02] [ 1.34954617e-02 -1.46776058e-02 1.89105971e-02] [-1.34954617e-02 1.46776058e-02 -1.89105971e-02] [ 1.34954617e-02 1.46776058e-02 -1.89105971e-02]] Final stress: [-2.66589875e-03 -2.68083610e-03 1.29637091e-04 3.01297009e-03 -1.03729255e-16 -2.17496826e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.88636964e-03 -1.44276951e-14 -4.01154804e-14] [ 6.88636964e-03 -1.00475184e-14 7.93809463e-15] [ 2.54332146e-14 -8.99290288e-04 2.10905117e-03] [ 2.86437540e-14 8.99290288e-04 -2.10905117e-03] [ 2.47644787e-14 2.10887257e-03 -3.51622633e-02] [ 2.83384427e-14 -2.10887257e-03 3.51622633e-02] [-6.88636964e-03 -1.10471528e-14 2.36723415e-14] [ 6.88636964e-03 2.25422979e-14 8.03845448e-15] [ 1.02669609e-14 -8.99290288e-04 2.10905117e-03] [ 2.00273825e-15 8.99290288e-04 -2.10905117e-03] [-3.48185022e-14 2.10887257e-03 -3.51622633e-02] [-2.55446705e-14 -2.10887257e-03 3.51622633e-02] [-4.54699699e-02 -1.85482007e-02 7.70258867e-03] [-9.14761049e-03 9.97169341e-03 1.38207625e-02] [-9.14761049e-03 -9.97169341e-03 -1.38207625e-02] [-4.54699699e-02 1.85482007e-02 -7.70258867e-03] [ 9.14761049e-03 -9.97169341e-03 -1.38207625e-02] [ 4.54699699e-02 1.85482007e-02 -7.70258867e-03] [ 9.14761049e-03 9.97169341e-03 1.38207625e-02] [ 4.54699699e-02 -1.85482007e-02 7.70258867e-03] [-4.54699699e-02 -1.85482007e-02 7.70258867e-03] [-9.14761049e-03 9.97169341e-03 1.38207625e-02] [-9.14761049e-03 -9.97169341e-03 -1.38207625e-02] [-4.54699699e-02 1.85482007e-02 -7.70258867e-03] [ 9.14761049e-03 -9.97169341e-03 -1.38207625e-02] [ 4.54699699e-02 1.85482007e-02 -7.70258867e-03] [ 9.14761049e-03 9.97169341e-03 1.38207625e-02] [ 4.54699699e-02 -1.85482007e-02 7.70258867e-03] [ 1.36918255e-13 -1.50796042e-13 -2.16493490e-15] [-6.92119972e-14 2.08844054e-14 -6.03182586e-14] [-1.66533454e-14 -3.69039886e-02 -3.67682346e-02] [ 9.47367185e-14 -3.10458555e-02 5.14720980e-02] [-3.11174697e-14 3.10458555e-02 -5.14720980e-02] [ 5.03494748e-14 3.69039886e-02 3.67682346e-02] [-1.73390560e-03 -1.44189708e-02 9.11901954e-03] [-1.73390560e-03 1.44189708e-02 -9.11901954e-03] [ 1.73390560e-03 -1.44189708e-02 9.11901954e-03] [ 1.73390560e-03 1.44189708e-02 -9.11901954e-03] [-1.34954551e-02 -1.46775977e-02 -1.89105382e-02] [ 1.34954551e-02 -1.46775977e-02 -1.89105382e-02] [-1.34954551e-02 1.46775977e-02 1.89105382e-02] [ 1.34954551e-02 1.46775977e-02 1.89105382e-02] [ 1.60826213e-14 -3.69039886e-02 -3.67682346e-02] [ 6.44753348e-15 -3.10458555e-02 5.14720980e-02] [ 5.38518882e-14 3.10458555e-02 -5.14720980e-02] [ 4.14772383e-15 3.69039886e-02 3.67682346e-02] [-1.73390560e-03 -1.44189708e-02 9.11901954e-03] [-1.73390560e-03 1.44189708e-02 -9.11901954e-03] [ 1.73390560e-03 -1.44189708e-02 9.11901954e-03] [ 1.73390560e-03 1.44189708e-02 -9.11901954e-03] [-1.34954551e-02 -1.46775977e-02 -1.89105382e-02] [ 1.34954551e-02 -1.46775977e-02 -1.89105382e-02] [-1.34954551e-02 1.46775977e-02 1.89105382e-02] [ 1.34954551e-02 1.46775977e-02 1.89105382e-02]] Final stress: [-2.66589918e-03 -2.68083655e-03 1.29636095e-04 -3.01297082e-03 -7.52873628e-17 -5.68837852e-17] Minimization converged after 50 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.99341914e-04 2.43637575e-14 -2.10896555e-03] [ 8.99341914e-04 -6.77236045e-15 2.10896555e-03] [ 1.15137934e-14 -6.88642026e-03 2.62810607e-15] [ 1.83741911e-14 6.88642026e-03 -3.21964677e-15] [-2.10880033e-03 8.61051681e-15 -3.51622928e-02] [ 2.10880033e-03 -2.15383267e-14 3.51622928e-02] [-8.99341914e-04 -2.46721046e-15 -2.10896555e-03] [ 8.99341914e-04 1.19262239e-14 2.10896555e-03] [-1.78602792e-14 -6.88642026e-03 4.82272439e-15] [-1.53392923e-15 6.88642026e-03 -1.38828260e-14] [-2.10880033e-03 -2.75330284e-14 -3.51622928e-02] [ 2.10880033e-03 1.44648965e-14 3.51622928e-02] [-9.97170426e-03 9.14767976e-03 1.38207752e-02] [ 1.85481880e-02 4.54700403e-02 7.70261344e-03] [ 9.97170426e-03 9.14767976e-03 -1.38207752e-02] [-1.85481880e-02 4.54700403e-02 -7.70261344e-03] [-1.85481880e-02 -4.54700403e-02 -7.70261344e-03] [ 9.97170426e-03 -9.14767976e-03 -1.38207752e-02] [-9.97170426e-03 -9.14767976e-03 1.38207752e-02] [ 1.85481880e-02 -4.54700403e-02 7.70261344e-03] [-9.97170426e-03 9.14767976e-03 1.38207752e-02] [ 1.85481880e-02 4.54700403e-02 7.70261344e-03] [ 9.97170426e-03 9.14767976e-03 -1.38207752e-02] [-1.85481880e-02 4.54700403e-02 -7.70261344e-03] [-1.85481880e-02 -4.54700403e-02 -7.70261344e-03] [ 9.97170426e-03 -9.14767976e-03 -1.38207752e-02] [-9.97170426e-03 -9.14767976e-03 1.38207752e-02] [ 1.85481880e-02 -4.54700403e-02 7.70261344e-03] [ 2.49328336e-13 -3.98570066e-14 -1.84852134e-14] [-2.18598143e-13 -1.45897597e-14 -3.55155900e-14] [ 1.44189549e-02 -1.73387780e-03 9.11902083e-03] [ 1.44189549e-02 1.73387780e-03 9.11902083e-03] [-1.44189549e-02 -1.73387780e-03 -9.11902083e-03] [-1.44189549e-02 1.73387780e-03 -9.11902083e-03] [ 3.10459070e-02 -1.03028697e-13 5.14721261e-02] [-3.69039887e-02 -8.58150356e-14 3.67682689e-02] [ 3.69039887e-02 -8.00574884e-15 -3.67682689e-02] [-3.10459070e-02 -2.54709448e-14 -5.14721261e-02] [-1.46775810e-02 -1.34954377e-02 1.89105227e-02] [ 1.46775810e-02 -1.34954377e-02 -1.89105227e-02] [-1.46775810e-02 1.34954377e-02 1.89105227e-02] [ 1.46775810e-02 1.34954377e-02 -1.89105227e-02] [ 1.44189549e-02 -1.73387780e-03 9.11902083e-03] [ 1.44189549e-02 1.73387780e-03 9.11902083e-03] [-1.44189549e-02 -1.73387780e-03 -9.11902083e-03] [-1.44189549e-02 1.73387780e-03 -9.11902083e-03] [ 3.10459070e-02 2.98226420e-14 5.14721261e-02] [-3.69039887e-02 -2.04333078e-14 3.67682689e-02] [ 3.69039887e-02 -1.30298550e-13 -3.67682689e-02] [-3.10459070e-02 -2.90028418e-14 -5.14721261e-02] [-1.46775810e-02 -1.34954377e-02 1.89105227e-02] [ 1.46775810e-02 -1.34954377e-02 -1.89105227e-02] [-1.46775810e-02 1.34954377e-02 1.89105227e-02] [ 1.46775810e-02 1.34954377e-02 -1.89105227e-02]] Final stress: [-2.68083698e-03 -2.66589959e-03 1.29635806e-04 6.52490478e-17 3.01297161e-03 -2.34227351e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.99083897e-04 -1.42806773e-14 2.10923286e-03] [ 8.99083897e-04 -1.22957200e-14 -2.10923286e-03] [ 2.28038075e-14 -6.88617844e-03 -8.29978447e-15] [ 3.77475828e-15 6.88617844e-03 -3.18078897e-14] [ 2.10902412e-03 5.86726848e-15 -3.51621681e-02] [-2.10902412e-03 5.80091530e-15 3.51621681e-02] [-8.99083897e-04 -5.12749565e-14 2.10923286e-03] [ 8.99083897e-04 -4.30944343e-14 -2.10923286e-03] [-1.76260916e-14 -6.88617844e-03 -2.73176460e-14] [-2.08492078e-14 6.88617844e-03 -5.78608172e-14] [ 2.10902412e-03 6.97335036e-16 -3.51621681e-02] [-2.10902412e-03 -3.72933529e-15 3.51621681e-02] [-1.85482049e-02 -4.54697929e-02 7.70253770e-03] [ 9.97169428e-03 -9.14742405e-03 1.38206907e-02] [ 1.85482049e-02 -4.54697929e-02 -7.70253770e-03] [-9.97169428e-03 -9.14742405e-03 -1.38206907e-02] [-9.97169428e-03 9.14742405e-03 -1.38206907e-02] [ 1.85482049e-02 4.54697929e-02 -7.70253770e-03] [-1.85482049e-02 4.54697929e-02 7.70253770e-03] [ 9.97169428e-03 9.14742405e-03 1.38206907e-02] [-1.85482049e-02 -4.54697929e-02 7.70253770e-03] [ 9.97169428e-03 -9.14742405e-03 1.38206907e-02] [ 1.85482049e-02 -4.54697929e-02 -7.70253770e-03] [-9.97169428e-03 -9.14742405e-03 -1.38206907e-02] [-9.97169428e-03 9.14742405e-03 -1.38206907e-02] [ 1.85482049e-02 4.54697929e-02 -7.70253770e-03] [-1.85482049e-02 4.54697929e-02 7.70253770e-03] [ 9.97169428e-03 9.14742405e-03 1.38206907e-02] [ 8.34887715e-14 -6.20614671e-14 4.43811654e-14] [-6.55855578e-14 -1.61629580e-14 -8.19083875e-14] [-1.44190704e-02 -1.73380010e-03 9.11881479e-03] [-1.44190704e-02 1.73380010e-03 9.11881479e-03] [ 1.44190704e-02 -1.73380010e-03 -9.11881480e-03] [ 1.44190704e-02 1.73380010e-03 -9.11881480e-03] [-3.69037708e-02 -5.36237721e-14 -3.67682834e-02] [ 3.10458551e-02 -1.04090347e-13 -5.14717662e-02] [-3.10458551e-02 -4.47818865e-14 5.14717662e-02] [ 3.69037708e-02 1.02665069e-14 3.67682834e-02] [-1.46776237e-02 -1.34954797e-02 -1.89106314e-02] [ 1.46776237e-02 -1.34954797e-02 1.89106314e-02] [-1.46776237e-02 1.34954797e-02 -1.89106314e-02] [ 1.46776237e-02 1.34954797e-02 1.89106314e-02] [-1.44190704e-02 -1.73380010e-03 9.11881479e-03] [-1.44190704e-02 1.73380010e-03 9.11881479e-03] [ 1.44190704e-02 -1.73380010e-03 -9.11881479e-03] [ 1.44190704e-02 1.73380010e-03 -9.11881479e-03] [-3.69037708e-02 -1.46301040e-13 -3.67682834e-02] [ 3.10458551e-02 7.66627430e-14 -5.14717662e-02] [-3.10458551e-02 5.80742052e-15 5.14717662e-02] [ 3.69037708e-02 -2.29937597e-14 3.67682834e-02] [-1.46776237e-02 -1.34954797e-02 -1.89106314e-02] [ 1.46776237e-02 -1.34954797e-02 1.89106314e-02] [-1.46776237e-02 1.34954797e-02 -1.89106314e-02] [ 1.46776237e-02 1.34954797e-02 1.89106314e-02]] Final stress: [-2.68083556e-03 -2.66589823e-03 1.29637691e-04 1.33844201e-17 -3.01296913e-03 5.18646277e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.45420806e-03 2.23154404e-04 -7.11414434e-14] [ 2.45420806e-03 -2.23154404e-04 3.16413562e-14] [ 2.23154404e-04 -2.45420806e-03 1.83572775e-14] [-2.23154404e-04 2.45420806e-03 3.36952688e-14] [ 1.28109329e-14 -6.16737564e-15 3.03941175e-02] [ 3.80251386e-15 -1.92068583e-14 -3.03941175e-02] [-2.45420806e-03 2.23154404e-04 3.04834283e-14] [ 2.45420806e-03 -2.23154404e-04 -7.24666160e-15] [ 2.23154404e-04 -2.45420806e-03 -1.75296337e-14] [-2.23154404e-04 2.45420806e-03 -3.69248492e-14] [-4.02230332e-14 1.00210909e-14 3.03941175e-02] [-3.37889439e-14 2.82593840e-14 -3.03941175e-02] [ 8.11780259e-03 8.11780259e-03 2.15538602e-02] [-8.11780259e-03 -8.11780259e-03 2.15538602e-02] [-1.63414560e-02 1.63414560e-02 3.58691283e-02] [ 1.63414560e-02 -1.63414560e-02 3.58691283e-02] [ 8.11780259e-03 8.11780259e-03 -2.15538602e-02] [-8.11780259e-03 -8.11780259e-03 -2.15538602e-02] [ 1.63414560e-02 -1.63414560e-02 -3.58691283e-02] [-1.63414560e-02 1.63414560e-02 -3.58691283e-02] [ 8.11780259e-03 8.11780259e-03 2.15538602e-02] [-8.11780259e-03 -8.11780259e-03 2.15538602e-02] [-1.63414560e-02 1.63414560e-02 3.58691283e-02] [ 1.63414560e-02 -1.63414560e-02 3.58691283e-02] [ 8.11780259e-03 8.11780259e-03 -2.15538602e-02] [-8.11780259e-03 -8.11780259e-03 -2.15538602e-02] [ 1.63414560e-02 -1.63414560e-02 -3.58691283e-02] [-1.63414560e-02 1.63414560e-02 -3.58691283e-02] [ 2.51354493e-13 -9.21207555e-14 -7.02493619e-14] [-9.70243851e-14 5.63096661e-14 -3.23638462e-14] [ 3.55795103e-02 -6.93780921e-03 2.22277836e-02] [-3.55795103e-02 6.93780921e-03 2.22277836e-02] [ 3.55795103e-02 -6.93780921e-03 -2.22277836e-02] [-3.55795103e-02 6.93780921e-03 -2.22277836e-02] [-6.93780921e-03 3.55795103e-02 2.22277836e-02] [-6.93780921e-03 3.55795103e-02 -2.22277836e-02] [ 6.93780921e-03 -3.55795103e-02 2.22277836e-02] [ 6.93780921e-03 -3.55795103e-02 -2.22277836e-02] [ 4.15835195e-02 4.15835195e-02 2.56461519e-14] [ 5.84160798e-03 -5.84160798e-03 3.99940497e-14] [-5.84160798e-03 5.84160798e-03 1.62231339e-14] [-4.15835195e-02 -4.15835195e-02 -1.28853525e-13] [ 3.55795103e-02 -6.93780921e-03 2.22277836e-02] [-3.55795103e-02 6.93780921e-03 2.22277836e-02] [ 3.55795103e-02 -6.93780921e-03 -2.22277836e-02] [-3.55795103e-02 6.93780921e-03 -2.22277836e-02] [-6.93780921e-03 3.55795103e-02 2.22277836e-02] [-6.93780921e-03 3.55795103e-02 -2.22277836e-02] [ 6.93780921e-03 -3.55795103e-02 2.22277836e-02] [ 6.93780921e-03 -3.55795103e-02 -2.22277836e-02] [ 4.15835195e-02 4.15835195e-02 -8.03044299e-14] [ 5.84160798e-03 -5.84160798e-03 -4.20615000e-14] [-5.84160798e-03 5.84160798e-03 -1.01074450e-13] [-4.15835195e-02 -4.15835195e-02 1.63107375e-15]] Final stress: [ 2.29042571e-03 2.29042571e-03 -4.82579627e-05 -2.80885703e-17 -4.46112587e-17 2.90932152e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.45420806e-03 -2.23154405e-04 -1.20006002e-14] [ 2.45420805e-03 2.23154405e-04 -1.95121697e-14] [-2.23154405e-04 -2.45420806e-03 2.54061095e-14] [ 2.23154405e-04 2.45420806e-03 3.39450690e-14] [ 2.88744723e-14 4.25267460e-15 3.03941175e-02] [ 1.86517468e-14 1.51545443e-14 -3.03941175e-02] [-2.45420806e-03 -2.23154405e-04 9.52173583e-15] [ 2.45420806e-03 2.23154405e-04 -1.75944860e-14] [-2.23154405e-04 -2.45420806e-03 -3.62197034e-14] [ 2.23154405e-04 2.45420806e-03 -2.89177770e-14] [-2.41707696e-14 -2.21686818e-15 3.03941175e-02] [-4.02438499e-14 -6.35760907e-15 -3.03941175e-02] [ 1.63414560e-02 1.63414560e-02 -3.58691283e-02] [-1.63414560e-02 -1.63414560e-02 -3.58691283e-02] [-8.11780259e-03 8.11780259e-03 -2.15538602e-02] [ 8.11780259e-03 -8.11780259e-03 -2.15538602e-02] [ 1.63414560e-02 1.63414560e-02 3.58691283e-02] [-1.63414560e-02 -1.63414560e-02 3.58691283e-02] [ 8.11780259e-03 -8.11780259e-03 2.15538602e-02] [-8.11780259e-03 8.11780259e-03 2.15538602e-02] [ 1.63414560e-02 1.63414560e-02 -3.58691283e-02] [-1.63414560e-02 -1.63414560e-02 -3.58691283e-02] [-8.11780259e-03 8.11780259e-03 -2.15538602e-02] [ 8.11780259e-03 -8.11780259e-03 -2.15538602e-02] [ 1.63414560e-02 1.63414560e-02 3.58691283e-02] [-1.63414560e-02 -1.63414560e-02 3.58691283e-02] [ 8.11780259e-03 -8.11780259e-03 2.15538602e-02] [-8.11780259e-03 8.11780259e-03 2.15538602e-02] [ 2.97317726e-13 -3.48610030e-14 5.49837953e-14] [-5.29212091e-14 -4.49206204e-14 -1.05544988e-14] [-3.55795103e-02 -6.93780921e-03 2.22277836e-02] [ 3.55795103e-02 6.93780921e-03 2.22277836e-02] [-3.55795103e-02 -6.93780921e-03 -2.22277836e-02] [ 3.55795103e-02 6.93780921e-03 -2.22277836e-02] [-6.93780921e-03 -3.55795103e-02 2.22277836e-02] [-6.93780921e-03 -3.55795103e-02 -2.22277836e-02] [ 6.93780921e-03 3.55795103e-02 2.22277836e-02] [ 6.93780921e-03 3.55795103e-02 -2.22277836e-02] [-5.84160798e-03 -5.84160798e-03 9.54791801e-15] [-4.15835195e-02 4.15835195e-02 -4.03149736e-14] [ 4.15835195e-02 -4.15835195e-02 -9.20791221e-14] [ 5.84160798e-03 5.84160798e-03 -2.10562235e-14] [-3.55795103e-02 -6.93780921e-03 2.22277836e-02] [ 3.55795103e-02 6.93780921e-03 2.22277836e-02] [-3.55795103e-02 -6.93780921e-03 -2.22277836e-02] [ 3.55795103e-02 6.93780921e-03 -2.22277836e-02] [-6.93780921e-03 -3.55795103e-02 2.22277836e-02] [-6.93780921e-03 -3.55795103e-02 -2.22277836e-02] [ 6.93780921e-03 3.55795103e-02 2.22277836e-02] [ 6.93780921e-03 3.55795103e-02 -2.22277836e-02] [-5.84160798e-03 -5.84160798e-03 1.23990067e-13] [-4.15835195e-02 4.15835195e-02 -2.79881234e-14] [ 4.15835195e-02 -4.15835195e-02 -1.42314681e-14] [ 5.84160798e-03 5.84160798e-03 -7.13188189e-14]] Final stress: [ 2.29042571e-03 2.29042571e-03 -4.82579628e-05 1.15658819e-17 8.09611732e-17 -2.90932152e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.12197828e-03 3.66840312e-03 2.50025695e-14] [ 2.12197828e-03 -3.66840312e-03 -2.35089725e-14] [ 3.66840312e-03 -2.12197828e-03 3.06660079e-14] [-3.66840312e-03 2.12197828e-03 -1.12410081e-14] [-1.65345168e-14 -1.04538773e-15 -4.47376874e-02] [ 3.41116024e-14 -6.68909372e-15 4.47376874e-02] [-2.12197828e-03 3.66840312e-03 4.28264643e-15] [ 2.12197828e-03 -3.66840312e-03 6.50560578e-15] [ 3.66840312e-03 -2.12197828e-03 3.35191944e-15] [-3.66840312e-03 2.12197828e-03 2.20636959e-14] [ 2.15023312e-14 -1.39167852e-15 -4.47376874e-02] [ 1.44975178e-14 -1.89131886e-14 4.47376874e-02] [-1.30409100e-02 -1.30409100e-02 3.41189729e-02] [ 1.30409100e-02 1.30409100e-02 3.41189729e-02] [ 1.34550278e-02 -1.34550278e-02 1.58225084e-02] [-1.34550278e-02 1.34550278e-02 1.58225084e-02] [-1.30409100e-02 -1.30409100e-02 -3.41189729e-02] [ 1.30409100e-02 1.30409100e-02 -3.41189729e-02] [-1.34550278e-02 1.34550278e-02 -1.58225084e-02] [ 1.34550278e-02 -1.34550278e-02 -1.58225084e-02] [-1.30409100e-02 -1.30409100e-02 3.41189729e-02] [ 1.30409100e-02 1.30409100e-02 3.41189729e-02] [ 1.34550278e-02 -1.34550278e-02 1.58225084e-02] [-1.34550278e-02 1.34550278e-02 1.58225084e-02] [-1.30409100e-02 -1.30409100e-02 -3.41189729e-02] [ 1.30409100e-02 1.30409100e-02 -3.41189729e-02] [-1.34550278e-02 1.34550278e-02 -1.58225084e-02] [ 1.34550278e-02 -1.34550278e-02 -1.58225084e-02] [ 1.14297460e-13 -8.84570195e-14 4.49085213e-14] [-4.74858868e-14 -1.06481765e-14 1.88512362e-14] [ 1.52882727e-02 -3.66579930e-05 8.05326159e-03] [-1.52882727e-02 3.66579930e-05 8.05326159e-03] [ 1.52882727e-02 -3.66579930e-05 -8.05326159e-03] [-1.52882727e-02 3.66579930e-05 -8.05326159e-03] [-3.66579928e-05 1.52882727e-02 8.05326159e-03] [-3.66579931e-05 1.52882727e-02 -8.05326159e-03] [ 3.66579925e-05 -1.52882727e-02 8.05326159e-03] [ 3.66579928e-05 -1.52882727e-02 -8.05326159e-03] [ 2.38733438e-02 2.38733438e-02 -1.02806652e-13] [ 4.82283822e-02 -4.82283822e-02 -7.73912184e-14] [-4.82283822e-02 4.82283822e-02 -1.29132816e-14] [-2.38733438e-02 -2.38733438e-02 1.85042953e-14] [ 1.52882727e-02 -3.66579930e-05 8.05326159e-03] [-1.52882727e-02 3.66579929e-05 8.05326159e-03] [ 1.52882727e-02 -3.66579928e-05 -8.05326159e-03] [-1.52882727e-02 3.66579925e-05 -8.05326159e-03] [-3.66579929e-05 1.52882727e-02 8.05326159e-03] [-3.66579929e-05 1.52882727e-02 -8.05326159e-03] [ 3.66579930e-05 -1.52882727e-02 8.05326159e-03] [ 3.66579931e-05 -1.52882727e-02 -8.05326159e-03] [ 2.38733438e-02 2.38733438e-02 4.41190826e-14] [ 4.82283822e-02 -4.82283822e-02 5.91923406e-14] [-4.82283822e-02 4.82283822e-02 4.09570804e-14] [-2.38733438e-02 -2.38733438e-02 3.86817314e-14]] Final stress: [-2.50463726e-03 -2.50463726e-03 2.62275778e-04 6.69220838e-17 -6.69220838e-18 2.91115034e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.12208342e-03 -3.66849352e-03 3.32490112e-14] [ 2.12208342e-03 3.66849352e-03 2.08721929e-14] [-3.66849352e-03 -2.12208342e-03 2.60208521e-18] [ 3.66849352e-03 2.12208342e-03 2.47024623e-14] [ 4.05814705e-14 -9.44578617e-15 -4.47377313e-02] [ 5.13200593e-14 -2.17326157e-14 4.47377313e-02] [-2.12208342e-03 -3.66849352e-03 -1.76861932e-14] [ 2.12208342e-03 3.66849352e-03 -3.86484482e-14] [-3.66849352e-03 -2.12208342e-03 -1.59468955e-15] [ 3.66849352e-03 2.12208342e-03 -1.29479313e-14] [-4.62251765e-14 -9.17485082e-15 -4.47377313e-02] [-1.58254486e-14 9.96225942e-16 4.47377313e-02] [-1.34550318e-02 -1.34550318e-02 -1.58225570e-02] [ 1.34550318e-02 1.34550318e-02 -1.58225570e-02] [ 1.30408993e-02 -1.30408993e-02 -3.41190916e-02] [-1.30408993e-02 1.30408993e-02 -3.41190916e-02] [-1.34550318e-02 -1.34550318e-02 1.58225570e-02] [ 1.34550318e-02 1.34550318e-02 1.58225570e-02] [-1.30408993e-02 1.30408993e-02 3.41190916e-02] [ 1.30408993e-02 -1.30408993e-02 3.41190916e-02] [-1.34550318e-02 -1.34550318e-02 -1.58225570e-02] [ 1.34550318e-02 1.34550318e-02 -1.58225570e-02] [ 1.30408993e-02 -1.30408993e-02 -3.41190916e-02] [-1.30408993e-02 1.30408993e-02 -3.41190916e-02] [-1.34550318e-02 -1.34550318e-02 1.58225570e-02] [ 1.34550318e-02 1.34550318e-02 1.58225570e-02] [-1.30408993e-02 1.30408993e-02 3.41190916e-02] [ 1.30408993e-02 -1.30408993e-02 3.41190916e-02] [ 8.43491943e-14 -6.27276009e-15 1.16295862e-14] [-6.59329362e-14 -3.77999362e-14 -8.27336146e-14] [-1.52882182e-02 -3.67236201e-05 8.05337595e-03] [ 1.52882182e-02 3.67236203e-05 8.05337595e-03] [-1.52882182e-02 -3.67236201e-05 -8.05337595e-03] [ 1.52882182e-02 3.67236202e-05 -8.05337595e-03] [-3.67236200e-05 -1.52882182e-02 8.05337595e-03] [-3.67236201e-05 -1.52882182e-02 -8.05337595e-03] [ 3.67236201e-05 1.52882182e-02 8.05337595e-03] [ 3.67236202e-05 1.52882182e-02 -8.05337595e-03] [-4.82284297e-02 -4.82284297e-02 5.24025268e-14] [-2.38734219e-02 2.38734219e-02 -1.47624968e-14] [ 2.38734219e-02 -2.38734219e-02 -4.22231694e-15] [ 4.82284297e-02 4.82284297e-02 -1.65319147e-14] [-1.52882182e-02 -3.67236201e-05 8.05337595e-03] [ 1.52882182e-02 3.67236202e-05 8.05337595e-03] [-1.52882182e-02 -3.67236200e-05 -8.05337595e-03] [ 1.52882182e-02 3.67236201e-05 -8.05337595e-03] [-3.67236201e-05 -1.52882182e-02 8.05337595e-03] [-3.67236202e-05 -1.52882182e-02 -8.05337595e-03] [ 3.67236200e-05 1.52882182e-02 8.05337595e-03] [ 3.67236201e-05 1.52882182e-02 -8.05337595e-03] [-4.82284297e-02 -4.82284297e-02 -2.85521552e-14] [-2.38734219e-02 2.38734219e-02 2.99271241e-14] [ 2.38734219e-02 -2.38734219e-02 3.13935076e-14] [ 4.82284297e-02 4.82284297e-02 6.54992553e-14]] Final stress: [-2.50463734e-03 -2.50463734e-03 2.62275235e-04 2.50957814e-17 -2.50957814e-17 -2.91115103e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.92000902e-03 -1.09099361e-13 -4.14308345e-14] [ 1.92000902e-03 -1.24317223e-13 -1.51545443e-14] [ 1.82657708e-13 -2.88356789e-03 6.12301634e-03] [ 4.46032100e-14 2.88356789e-03 -6.12301634e-03] [-1.07656939e-14 6.12301634e-03 -2.88356789e-03] [ 1.32394096e-14 -6.12301634e-03 2.88356789e-03] [-1.92000902e-03 4.90319590e-15 -1.89843055e-14] [ 1.92000902e-03 -6.68948404e-14 9.64588178e-14] [-7.38862097e-15 -2.88356789e-03 6.12301634e-03] [ 7.38823065e-14 2.88356789e-03 -6.12301634e-03] [-6.14330635e-14 6.12301634e-03 -2.88356789e-03] [-1.46664798e-13 -6.12301634e-03 2.88356789e-03] [-2.25627542e-03 8.60335262e-03 8.60335262e-03] [ 2.16740501e-04 -1.11214464e-03 1.11214464e-03] [ 2.16740501e-04 1.11214464e-03 -1.11214464e-03] [-2.25627542e-03 -8.60335262e-03 -8.60335262e-03] [-2.16740501e-04 1.11214464e-03 -1.11214464e-03] [ 2.25627542e-03 -8.60335262e-03 -8.60335262e-03] [-2.16740501e-04 -1.11214464e-03 1.11214464e-03] [ 2.25627542e-03 8.60335262e-03 8.60335262e-03] [-2.25627542e-03 8.60335262e-03 8.60335262e-03] [ 2.16740501e-04 -1.11214464e-03 1.11214464e-03] [ 2.16740501e-04 1.11214464e-03 -1.11214464e-03] [-2.25627542e-03 -8.60335262e-03 -8.60335262e-03] [-2.16740501e-04 1.11214464e-03 -1.11214464e-03] [ 2.25627542e-03 -8.60335262e-03 -8.60335262e-03] [-2.16740501e-04 -1.11214464e-03 1.11214464e-03] [ 2.25627542e-03 8.60335262e-03 8.60335262e-03] [-2.62845301e-13 -8.58202398e-14 -3.66373598e-15] [ 1.72542969e-13 -6.75370386e-14 2.00874945e-13] [-1.33226763e-13 8.12620465e-04 8.12620469e-04] [ 1.03656667e-13 -7.56977982e-03 7.56977982e-03] [-9.97119054e-14 7.56977982e-03 -7.56977982e-03] [-1.29578639e-13 -8.12620465e-04 -8.12620468e-04] [-1.64060832e-03 3.21642704e-03 -4.65338416e-04] [-1.64060832e-03 -3.21642704e-03 4.65338416e-04] [ 1.64060832e-03 3.21642704e-03 -4.65338416e-04] [ 1.64060832e-03 -3.21642704e-03 4.65338417e-04] [-1.64060832e-03 -4.65338412e-04 3.21642704e-03] [ 1.64060832e-03 -4.65338412e-04 3.21642704e-03] [-1.64060832e-03 4.65338412e-04 -3.21642704e-03] [ 1.64060832e-03 4.65338412e-04 -3.21642704e-03] [ 1.93203092e-13 8.12620470e-04 8.12620465e-04] [-1.63665522e-13 -7.56977982e-03 7.56977982e-03] [ 1.81682794e-13 7.56977982e-03 -7.56977982e-03] [ 3.47588278e-13 -8.12620468e-04 -8.12620465e-04] [-1.64060832e-03 3.21642704e-03 -4.65338413e-04] [-1.64060832e-03 -3.21642704e-03 4.65338412e-04] [ 1.64060832e-03 3.21642704e-03 -4.65338413e-04] [ 1.64060832e-03 -3.21642704e-03 4.65338412e-04] [-1.64060832e-03 -4.65338416e-04 3.21642704e-03] [ 1.64060832e-03 -4.65338416e-04 3.21642704e-03] [-1.64060832e-03 4.65338416e-04 -3.21642704e-03] [ 1.64060832e-03 4.65338416e-04 -3.21642704e-03]] Final stress: [-4.45194208e-04 -5.80287975e-05 -5.80287975e-05 5.80470146e-03 1.46325554e-16 3.10941802e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.92093044e-03 1.88886233e-13 1.94978582e-14] [ 1.92093044e-03 1.75748305e-13 1.31811229e-13] [-2.09650006e-14 -2.88556880e-03 -6.12703173e-03] [-1.28785871e-14 2.88556880e-03 6.12703173e-03] [ 8.41375580e-14 -6.12703173e-03 -2.88556880e-03] [ 1.24261712e-13 6.12703173e-03 2.88556880e-03] [-1.92093044e-03 6.10149951e-14 6.77326508e-14] [ 1.92093044e-03 -1.02192560e-14 4.25289280e-14] [-9.02619993e-14 -2.88556880e-03 -6.12703173e-03] [-4.16715273e-14 2.88556880e-03 6.12703173e-03] [-4.85609816e-14 -6.12703173e-03 -2.88556880e-03] [ 9.66631289e-15 6.12703173e-03 2.88556880e-03] [-2.16589999e-04 1.11166309e-03 1.11166309e-03] [ 2.25484851e-03 -8.60622199e-03 8.60622199e-03] [ 2.25484851e-03 8.60622199e-03 -8.60622199e-03] [-2.16589999e-04 -1.11166309e-03 -1.11166309e-03] [-2.25484851e-03 8.60622199e-03 -8.60622199e-03] [ 2.16590000e-04 -1.11166309e-03 -1.11166309e-03] [-2.25484851e-03 -8.60622199e-03 8.60622199e-03] [ 2.16589999e-04 1.11166309e-03 1.11166309e-03] [-2.16589999e-04 1.11166309e-03 1.11166309e-03] [ 2.25484851e-03 -8.60622199e-03 8.60622199e-03] [ 2.25484851e-03 8.60622199e-03 -8.60622199e-03] [-2.16589999e-04 -1.11166309e-03 -1.11166309e-03] [-2.25484851e-03 8.60622199e-03 -8.60622199e-03] [ 2.16589999e-04 -1.11166309e-03 -1.11166309e-03] [-2.25484851e-03 -8.60622199e-03 8.60622199e-03] [ 2.16590000e-04 1.11166309e-03 1.11166309e-03] [-2.20851115e-13 3.16413562e-14 -2.04836148e-13] [ 3.34069144e-13 -4.47803490e-13 1.23110676e-13] [ 6.78346268e-14 7.57537674e-03 7.57537674e-03] [ 2.54326074e-13 -8.09539338e-04 8.09539333e-04] [ 7.44855566e-14 8.09539338e-04 -8.09539333e-04] [ 4.15237118e-13 -7.57537674e-03 -7.57537674e-03] [-1.64433158e-03 -3.21970896e-03 -4.61134119e-04] [-1.64433158e-03 3.21970896e-03 4.61134119e-04] [ 1.64433158e-03 -3.21970896e-03 -4.61134118e-04] [ 1.64433158e-03 3.21970896e-03 4.61134118e-04] [-1.64433158e-03 -4.61134124e-04 -3.21970896e-03] [ 1.64433158e-03 -4.61134124e-04 -3.21970896e-03] [-1.64433158e-03 4.61134124e-04 3.21970896e-03] [ 1.64433158e-03 4.61134124e-04 3.21970896e-03] [-1.80580377e-13 7.57537674e-03 7.57537674e-03] [-5.55597235e-14 -8.09539333e-04 8.09539339e-04] [-4.57377192e-13 8.09539332e-04 -8.09539339e-04] [-2.45389646e-13 -7.57537674e-03 -7.57537674e-03] [-1.64433158e-03 -3.21970896e-03 -4.61134124e-04] [-1.64433158e-03 3.21970896e-03 4.61134124e-04] [ 1.64433158e-03 -3.21970896e-03 -4.61134124e-04] [ 1.64433158e-03 3.21970896e-03 4.61134124e-04] [-1.64433158e-03 -4.61134118e-04 -3.21970896e-03] [ 1.64433158e-03 -4.61134120e-04 -3.21970896e-03] [-1.64433158e-03 4.61134119e-04 3.21970896e-03] [ 1.64433158e-03 4.61134119e-04 3.21970896e-03]] Final stress: [-4.45236475e-04 -5.80300986e-05 -5.80300986e-05 -5.80472706e-03 -3.17592964e-16 5.81976635e-17] Minimization converged after 52 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 54 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.88889183e-03 1.60449345e-13 6.12939461e-03] [ 2.88889183e-03 1.23512311e-14 -6.12939461e-03] [-1.13388899e-13 -1.92174337e-03 3.09214460e-15] [ 6.27276009e-14 1.92174337e-03 5.98965322e-14] [ 6.12939461e-03 5.25308963e-14 -2.88889183e-03] [-6.12939461e-03 4.44089210e-16 2.88889183e-03] [-2.88889183e-03 -1.03940294e-14 6.12939461e-03] [ 2.88889183e-03 7.59618063e-14 -6.12939461e-03] [ 5.03676961e-14 -1.92174337e-03 -4.00680465e-16] [ 1.50652060e-14 1.92174337e-03 -2.64619733e-14] [ 6.12939461e-03 5.06945260e-14 -2.88889183e-03] [-6.12939461e-03 -4.47931116e-14 2.88889183e-03] [ 8.60988793e-03 -2.25022028e-03 8.60988793e-03] [-1.11054493e-03 2.18351971e-04 1.11054493e-03] [-8.60988793e-03 -2.25022028e-03 -8.60988793e-03] [ 1.11054493e-03 2.18351971e-04 -1.11054493e-03] [ 1.11054493e-03 -2.18351972e-04 -1.11054493e-03] [-8.60988793e-03 2.25022028e-03 -8.60988793e-03] [ 8.60988793e-03 2.25022028e-03 8.60988793e-03] [-1.11054493e-03 -2.18351971e-04 1.11054493e-03] [ 8.60988793e-03 -2.25022028e-03 8.60988793e-03] [-1.11054493e-03 2.18351971e-04 1.11054493e-03] [-8.60988793e-03 -2.25022028e-03 -8.60988793e-03] [ 1.11054493e-03 2.18351971e-04 -1.11054493e-03] [ 1.11054493e-03 -2.18351971e-04 -1.11054493e-03] [-8.60988793e-03 2.25022028e-03 -8.60988793e-03] [ 8.60988793e-03 2.25022028e-03 8.60988793e-03] [-1.11054493e-03 -2.18351972e-04 1.11054493e-03] [-2.87353474e-13 1.24733557e-13 -1.11605170e-13] [ 2.48591946e-13 -1.52176700e-13 1.37773277e-13] [ 3.22388185e-03 -1.64010985e-03 -4.63925652e-04] [ 3.22388185e-03 1.64010985e-03 -4.63925652e-04] [-3.22388185e-03 -1.64010985e-03 4.63925651e-04] [-3.22388185e-03 1.64010985e-03 4.63925652e-04] [ 8.05780022e-04 -3.55271368e-15 8.05780022e-04] [ 7.58014823e-03 -2.28886354e-13 -7.58014823e-03] [-7.58014823e-03 1.69862388e-13 7.58014823e-03] [-8.05780021e-04 -2.30936797e-13 -8.05780023e-04] [-4.63925650e-04 -1.64010985e-03 3.22388185e-03] [ 4.63925650e-04 -1.64010985e-03 -3.22388185e-03] [-4.63925650e-04 1.64010985e-03 3.22388185e-03] [ 4.63925650e-04 1.64010985e-03 -3.22388185e-03] [ 3.22388185e-03 -1.64010985e-03 -4.63925651e-04] [ 3.22388185e-03 1.64010985e-03 -4.63925650e-04] [-3.22388185e-03 -1.64010985e-03 4.63925650e-04] [-3.22388185e-03 1.64010985e-03 4.63925651e-04] [ 8.05780022e-04 3.29392242e-13 8.05780021e-04] [ 7.58014823e-03 4.69947432e-14 -7.58014823e-03] [-7.58014823e-03 7.08968474e-14 7.58014823e-03] [-8.05780023e-04 5.31740450e-14 -8.05780020e-04] [-4.63925652e-04 -1.64010985e-03 3.22388185e-03] [ 4.63925651e-04 -1.64010985e-03 -3.22388185e-03] [-4.63925652e-04 1.64010985e-03 3.22388185e-03] [ 4.63925651e-04 1.64010985e-03 -3.22388185e-03]] Final stress: [-5.80357308e-05 -4.45283314e-04 -5.80357308e-05 5.48720827e-17 5.80475506e-03 7.98139385e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.88669910e-03 5.64392283e-15 -6.12731666e-03] [ 2.88669910e-03 -6.49758025e-14 6.12731666e-03] [ 4.40788898e-14 -1.92123551e-03 -2.10161749e-14] [-7.25253191e-14 1.92123551e-03 -2.22877272e-14] [-6.12731666e-03 -1.12233139e-13 -2.88669910e-03] [ 6.12731666e-03 -1.12909682e-13 2.88669910e-03] [-2.88669910e-03 1.08876883e-13 -6.12731666e-03] [ 2.88669910e-03 3.48267422e-14 6.12731666e-03] [ 1.28481861e-13 -1.92123551e-03 7.01986958e-14] [-4.46227257e-14 1.92123551e-03 -3.90861930e-14] [-6.12731666e-03 -8.32012958e-14 -2.88669910e-03] [ 6.12731666e-03 1.15978916e-13 2.88669910e-03] [ 1.11121904e-03 -2.16913514e-04 1.11121904e-03] [-8.60773041e-03 2.25362680e-03 8.60773041e-03] [-1.11121905e-03 -2.16913513e-04 -1.11121905e-03] [ 8.60773041e-03 2.25362680e-03 -8.60773041e-03] [ 8.60773041e-03 -2.25362680e-03 -8.60773041e-03] [-1.11121905e-03 2.16913513e-04 -1.11121905e-03] [ 1.11121905e-03 2.16913514e-04 1.11121904e-03] [-8.60773041e-03 -2.25362680e-03 8.60773041e-03] [ 1.11121904e-03 -2.16913514e-04 1.11121904e-03] [-8.60773041e-03 2.25362680e-03 8.60773041e-03] [-1.11121904e-03 -2.16913514e-04 -1.11121904e-03] [ 8.60773041e-03 2.25362680e-03 -8.60773041e-03] [ 8.60773041e-03 -2.25362680e-03 -8.60773041e-03] [-1.11121904e-03 2.16913514e-04 -1.11121905e-03] [ 1.11121905e-03 2.16913513e-04 1.11121905e-03] [-8.60773041e-03 -2.25362680e-03 8.60773041e-03] [-2.00423012e-13 3.63847841e-13 -5.06261699e-14] [ 4.41053010e-13 1.77907182e-13 3.07869012e-13] [-3.22095451e-03 -1.64283037e-03 -4.62206074e-04] [-3.22095451e-03 1.64283037e-03 -4.62206074e-04] [ 3.22095451e-03 -1.64283037e-03 4.62206074e-04] [ 3.22095451e-03 1.64283037e-03 4.62206074e-04] [ 7.57684666e-03 -6.06181771e-14 7.57684665e-03] [ 8.08607906e-04 1.78732029e-13 -8.08607897e-04] [-8.08607905e-04 2.12579954e-13 8.08607897e-04] [-7.57684665e-03 1.97068891e-13 -7.57684665e-03] [-4.62206081e-04 -1.64283037e-03 -3.22095451e-03] [ 4.62206082e-04 -1.64283036e-03 3.22095451e-03] [-4.62206081e-04 1.64283037e-03 -3.22095451e-03] [ 4.62206082e-04 1.64283036e-03 3.22095451e-03] [-3.22095451e-03 -1.64283037e-03 -4.62206081e-04] [-3.22095451e-03 1.64283036e-03 -4.62206082e-04] [ 3.22095451e-03 -1.64283037e-03 4.62206081e-04] [ 3.22095451e-03 1.64283037e-03 4.62206082e-04] [ 7.57684665e-03 -1.51977004e-13 7.57684666e-03] [ 8.08607897e-04 -1.15967782e-13 -8.08607906e-04] [-8.08607898e-04 3.00649262e-14 8.08607905e-04] [-7.57684665e-03 5.35344338e-14 -7.57684665e-03] [-4.62206074e-04 -1.64283037e-03 -3.22095451e-03] [ 4.62206073e-04 -1.64283037e-03 3.22095451e-03] [-4.62206074e-04 1.64283037e-03 -3.22095451e-03] [ 4.62206074e-04 1.64283037e-03 3.22095451e-03]] Final stress: [-5.80312200e-05 -4.45260554e-04 -5.80312200e-05 -1.94546475e-16 -5.80473057e-03 3.80778998e-16] Minimization converged after 53 steps. Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.88716244e-03 6.13052270e-03 2.24178315e-14] [ 2.88716244e-03 -6.13052270e-03 -1.43218770e-14] [ 6.13052270e-03 -2.88716244e-03 2.88102875e-14] [-6.13052270e-03 2.88716244e-03 4.35484981e-14] [-8.62981561e-15 1.58072340e-14 -1.92085555e-03] [ 1.14075416e-14 5.45952172e-14 1.92085556e-03] [-2.88716244e-03 6.13052270e-03 1.16127106e-13] [ 2.88716244e-03 -6.13052270e-03 8.27489233e-15] [ 6.13052270e-03 -2.88716244e-03 7.79079318e-14] [-6.13052270e-03 2.88716244e-03 -1.03408515e-13] [ 4.04771702e-14 -3.71449020e-14 -1.92085555e-03] [ 4.09394740e-15 3.52508414e-14 1.92085555e-03] [ 8.60838444e-03 8.60838444e-03 -2.25634482e-03] [-8.60838444e-03 -8.60838444e-03 -2.25634482e-03] [-1.11107807e-03 1.11107807e-03 2.14526090e-04] [ 1.11107807e-03 -1.11107807e-03 2.14526091e-04] [ 8.60838444e-03 8.60838444e-03 2.25634482e-03] [-8.60838444e-03 -8.60838444e-03 2.25634482e-03] [ 1.11107807e-03 -1.11107807e-03 -2.14526091e-04] [-1.11107807e-03 1.11107807e-03 -2.14526090e-04] [ 8.60838444e-03 8.60838444e-03 -2.25634482e-03] [-8.60838444e-03 -8.60838444e-03 -2.25634482e-03] [-1.11107807e-03 1.11107807e-03 2.14526091e-04] [ 1.11107807e-03 -1.11107807e-03 2.14526090e-04] [ 8.60838444e-03 8.60838444e-03 2.25634482e-03] [-8.60838444e-03 -8.60838444e-03 2.25634482e-03] [ 1.11107807e-03 -1.11107807e-03 -2.14526091e-04] [-1.11107807e-03 1.11107807e-03 -2.14526091e-04] [-1.71890280e-13 2.00672812e-13 -1.86739513e-13] [ 5.75705282e-13 -1.94314806e-13 4.86842497e-13] [ 3.22077892e-03 -4.58723750e-04 -1.64657934e-03] [-3.22077892e-03 4.58723749e-04 -1.64657934e-03] [ 3.22077892e-03 -4.58723749e-04 1.64657934e-03] [-3.22077892e-03 4.58723748e-04 1.64657934e-03] [-4.58723750e-04 3.22077892e-03 -1.64657934e-03] [-4.58723749e-04 3.22077892e-03 1.64657934e-03] [ 4.58723750e-04 -3.22077892e-03 -1.64657934e-03] [ 4.58723750e-04 -3.22077892e-03 1.64657934e-03] [ 8.08248437e-04 8.08248435e-04 6.96664948e-13] [-7.57919236e-03 7.57919236e-03 2.14373658e-13] [ 7.57919236e-03 -7.57919236e-03 2.28494307e-13] [-8.08248435e-04 -8.08248437e-04 3.06143999e-13] [ 3.22077892e-03 -4.58723749e-04 -1.64657934e-03] [-3.22077892e-03 4.58723749e-04 -1.64657934e-03] [ 3.22077892e-03 -4.58723750e-04 1.64657934e-03] [-3.22077892e-03 4.58723750e-04 1.64657934e-03] [-4.58723749e-04 3.22077892e-03 -1.64657934e-03] [-4.58723750e-04 3.22077892e-03 1.64657934e-03] [ 4.58723748e-04 -3.22077892e-03 -1.64657934e-03] [ 4.58723749e-04 -3.22077892e-03 1.64657934e-03] [ 8.08248435e-04 8.08248437e-04 -4.61954444e-13] [-7.57919236e-03 7.57919236e-03 -4.40648274e-13] [ 7.57919236e-03 -7.57919236e-03 -3.14861015e-13] [-8.08248437e-04 -8.08248436e-04 -5.14839907e-13]] Final stress: [-5.80199574e-05 -5.80199574e-05 -4.45294474e-04 -1.61290667e-16 1.06418585e-16 5.80473403e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.88838973e-03 -6.12679237e-03 -4.03149736e-15] [ 2.88838973e-03 6.12679237e-03 -3.16968674e-14] [-6.12679237e-03 -2.88838973e-03 3.06091957e-15] [ 6.12679237e-03 2.88838973e-03 -1.89820382e-13] [ 4.68180182e-14 4.40827930e-14 -1.92159547e-03] [ 4.18554080e-14 9.22595333e-14 1.92159547e-03] [-2.88838973e-03 -6.12679237e-03 -5.32324064e-14] [ 2.88838973e-03 6.12679237e-03 1.37540472e-13] [-6.12679237e-03 -2.88838973e-03 -4.40931212e-14] [ 6.12679237e-03 2.88838973e-03 -3.06738904e-14] [ 9.59054884e-14 7.87635948e-14 -1.92159547e-03] [ 9.63899099e-14 5.75188226e-14 1.92159547e-03] [ 1.11072764e-03 1.11072764e-03 -2.21123086e-04] [-1.11072764e-03 -1.11072764e-03 -2.21123086e-04] [-8.60822802e-03 8.60822802e-03 2.24715122e-03] [ 8.60822802e-03 -8.60822802e-03 2.24715122e-03] [ 1.11072764e-03 1.11072764e-03 2.21123086e-04] [-1.11072764e-03 -1.11072764e-03 2.21123086e-04] [ 8.60822802e-03 -8.60822802e-03 -2.24715122e-03] [-8.60822802e-03 8.60822802e-03 -2.24715122e-03] [ 1.11072764e-03 1.11072764e-03 -2.21123086e-04] [-1.11072764e-03 -1.11072764e-03 -2.21123086e-04] [-8.60822802e-03 8.60822802e-03 2.24715122e-03] [ 8.60822802e-03 -8.60822802e-03 2.24715122e-03] [ 1.11072764e-03 1.11072764e-03 2.21123086e-04] [-1.11072764e-03 -1.11072764e-03 2.21123086e-04] [ 8.60822802e-03 -8.60822802e-03 -2.24715122e-03] [-8.60822802e-03 8.60822802e-03 -2.24715122e-03] [-3.76532139e-13 -1.22207799e-13 5.05151476e-15] [-2.44162329e-15 1.95318520e-13 -3.06564825e-14] [-3.22364549e-03 -4.69312032e-04 -1.63427719e-03] [ 3.22364549e-03 4.69312033e-04 -1.63427719e-03] [-3.22364549e-03 -4.69312032e-04 1.63427719e-03] [ 3.22364549e-03 4.69312032e-04 1.63427719e-03] [-4.69312027e-04 -3.22364549e-03 -1.63427720e-03] [-4.69312027e-04 -3.22364549e-03 1.63427719e-03] [ 4.69312028e-04 3.22364549e-03 -1.63427719e-03] [ 4.69312028e-04 3.22364549e-03 1.63427719e-03] [ 7.57702272e-03 7.57702272e-03 -6.85007606e-14] [-8.05955026e-04 8.05955031e-04 7.02510966e-14] [ 8.05955026e-04 -8.05955031e-04 1.20764510e-13] [-7.57702272e-03 -7.57702272e-03 2.13646697e-14] [-3.22364549e-03 -4.69312028e-04 -1.63427719e-03] [ 3.22364549e-03 4.69312028e-04 -1.63427719e-03] [-3.22364549e-03 -4.69312028e-04 1.63427719e-03] [ 3.22364549e-03 4.69312027e-04 1.63427719e-03] [-4.69312032e-04 -3.22364549e-03 -1.63427719e-03] [-4.69312033e-04 -3.22364549e-03 1.63427719e-03] [ 4.69312032e-04 3.22364549e-03 -1.63427719e-03] [ 4.69312032e-04 3.22364549e-03 1.63427719e-03] [ 7.57702272e-03 7.57702272e-03 4.65527601e-14] [-8.05955031e-04 8.05955026e-04 -1.44926389e-14] [ 8.05955031e-04 -8.05955027e-04 -1.58057703e-14] [-7.57702272e-03 -7.57702272e-03 1.20041563e-13]] Final stress: [-5.80456671e-05 -5.80456671e-05 -4.45231332e-04 1.87895314e-16 -1.49651135e-16 -5.80475939e-03] Minimization converged after 23 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.08386846e-02 1.02025593e-13 -2.99836544e-13] [-7.08386846e-02 -4.72677453e-14 3.69426711e-13] [ 8.04458063e-13 7.08386846e-02 2.85308626e-12] [-3.56298324e-13 -7.08386846e-02 1.07486242e-12] [ 1.80555142e-13 -2.91026979e-12 -2.69824945e-01] [-2.10415019e-13 -1.14991350e-13 2.69824945e-01] [ 7.08386846e-02 4.85137104e-13 -9.94076162e-13] [-7.08386846e-02 -8.11491281e-13 -4.15967802e-13] [-4.91660532e-13 7.08386846e-02 -6.26163394e-13] [ 1.44120393e-13 -7.08386846e-02 -7.36436035e-13] [ 4.48312828e-13 2.97189168e-13 -2.69824945e-01] [-3.23931420e-13 6.03008198e-13 2.69824945e-01] [-2.91378940e-02 -2.91378940e-02 -6.81100492e-03] [ 2.91378940e-02 2.91378940e-02 -6.81100492e-03] [ 2.91378940e-02 -2.91378940e-02 6.81100492e-03] [-2.91378940e-02 2.91378940e-02 6.81100492e-03] [-2.91378940e-02 -2.91378940e-02 6.81100492e-03] [ 2.91378940e-02 2.91378940e-02 6.81100492e-03] [-2.91378940e-02 2.91378940e-02 -6.81100492e-03] [ 2.91378940e-02 -2.91378940e-02 -6.81100492e-03] [-2.91378940e-02 -2.91378940e-02 -6.81100493e-03] [ 2.91378940e-02 2.91378940e-02 -6.81100493e-03] [ 2.91378940e-02 -2.91378940e-02 6.81100492e-03] [-2.91378940e-02 2.91378940e-02 6.81100492e-03] [-2.91378940e-02 -2.91378940e-02 6.81100492e-03] [ 2.91378940e-02 2.91378940e-02 6.81100492e-03] [-2.91378940e-02 2.91378940e-02 -6.81100493e-03] [ 2.91378940e-02 -2.91378940e-02 -6.81100493e-03] [ 1.36621270e-12 -4.61769512e-12 7.26899096e-12] [-1.89664170e-12 -3.54820169e-12 -3.36988145e-12] [-6.71684930e-13 -1.20089689e-01 5.97033902e-02] [ 2.97925053e-12 1.20089689e-01 5.97033902e-02] [-2.99515794e-12 -1.20089689e-01 -5.97033902e-02] [ 1.16762448e-12 1.20089689e-01 -5.97033902e-02] [-1.20089689e-01 5.24358335e-13 5.97033902e-02] [-1.20089689e-01 2.07794719e-12 -5.97033902e-02] [ 1.20089689e-01 -4.40029610e-12 5.97033902e-02] [ 1.20089689e-01 -3.31830144e-12 -5.97033902e-02] [-2.62205273e-02 -2.62205273e-02 -5.19673193e-12] [ 2.62205273e-02 -2.62205273e-02 2.69596845e-13] [-2.62205273e-02 2.62205273e-02 -4.97983946e-12] [ 2.62205273e-02 2.62205273e-02 -3.40895021e-12] [-1.31736635e-12 -1.20089689e-01 5.97033902e-02] [-4.32597491e-12 1.20089689e-01 5.97033902e-02] [-3.50294013e-13 -1.20089689e-01 -5.97033902e-02] [-1.57067328e-12 1.20089689e-01 -5.97033902e-02] [-1.20089689e-01 -5.29097946e-12 5.97033902e-02] [-1.20089689e-01 -6.91887872e-13 -5.97033902e-02] [ 1.20089689e-01 -4.89711266e-12 5.97033902e-02] [ 1.20089689e-01 1.05767044e-12 -5.97033902e-02] [-2.62205273e-02 -2.62205273e-02 4.99845190e-12] [ 2.62205273e-02 -2.62205273e-02 3.92115903e-12] [-2.62205273e-02 2.62205273e-02 -6.77713779e-13] [ 2.62205273e-02 2.62205273e-02 -1.83671828e-12]] Final stress: [ 1.69077437e-03 1.69077437e-03 2.19879728e-03 -3.94258646e-16 -2.44143429e-16 2.93631962e-16] Minimization converged after 33 steps. Minimization converged after 33 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.41503519e-02 -1.38513333e-14 -9.64445537e-14] [ 6.41503519e-02 -9.18987109e-14 -1.11854970e-14] [-4.96829140e-14 -6.41503519e-02 -6.49621416e-14] [ 5.30131494e-15 6.41503519e-02 -4.41313652e-14] [ 4.80344930e-15 8.42832748e-14 1.59635979e-02] [ 5.46784840e-15 6.35602682e-14 -1.59635979e-02] [-6.41503519e-02 -3.83599402e-14 -2.24830639e-14] [ 6.41503519e-02 -1.80484967e-14 -7.41954366e-14] [ 1.47512211e-14 -6.41503519e-02 -7.12494508e-14] [-2.74173045e-14 6.41503519e-02 -6.69931381e-14] [-8.04946387e-14 8.90207612e-15 1.59635979e-02] [-1.25155962e-14 1.57832905e-14 -1.59635979e-02] [-2.09640703e-03 -2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 -2.09640703e-03 3.09121313e-02] [-2.09640703e-03 2.09640703e-03 3.09121313e-02] [-2.09640703e-03 -2.09640703e-03 3.09121313e-02] [ 2.09640703e-03 2.09640703e-03 3.09121313e-02] [-2.09640703e-03 2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 -2.09640703e-03 -3.09121313e-02] [-2.09640703e-03 -2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 -2.09640703e-03 3.09121313e-02] [-2.09640703e-03 2.09640703e-03 3.09121313e-02] [-2.09640703e-03 -2.09640703e-03 3.09121313e-02] [ 2.09640703e-03 2.09640703e-03 3.09121313e-02] [-2.09640703e-03 2.09640703e-03 -3.09121313e-02] [ 2.09640703e-03 -2.09640703e-03 -3.09121313e-02] [-4.71844785e-16 -9.12048215e-14 3.09252624e-13] [-4.70313892e-14 -1.93912952e-13 -1.88296148e-13] [-1.12243548e-13 -9.32327417e-04 -1.75606492e-02] [-1.16504029e-13 9.32327417e-04 -1.75606492e-02] [ 7.90530835e-14 -9.32327418e-04 1.75606492e-02] [-1.14889001e-13 9.32327418e-04 1.75606492e-02] [-9.32327417e-04 -1.66866521e-13 -1.75606492e-02] [-9.32327418e-04 -2.24171376e-13 1.75606492e-02] [ 9.32327417e-04 -1.08999615e-13 -1.75606492e-02] [ 9.32327418e-04 5.36237721e-14 1.75606492e-02] [ 2.29151975e-02 2.29151975e-02 -1.95177208e-13] [-2.29151975e-02 2.29151975e-02 -4.62860653e-13] [ 2.29151975e-02 -2.29151975e-02 -3.10118251e-13] [-2.29151975e-02 -2.29151975e-02 -3.47739131e-13] [ 4.25952676e-14 -9.32327418e-04 -1.75606492e-02] [ 2.78054923e-13 9.32327418e-04 -1.75606492e-02] [ 1.73038667e-14 -9.32327417e-04 1.75606492e-02] [-7.27339196e-14 9.32327417e-04 1.75606492e-02] [-9.32327418e-04 -3.71630908e-15 -1.75606492e-02] [-9.32327417e-04 1.50296442e-14 1.75606492e-02] [ 9.32327418e-04 2.73305684e-14 -1.75606492e-02] [ 9.32327417e-04 3.98951705e-14 1.75606492e-02] [ 2.29151975e-02 2.29151975e-02 3.77389190e-13] [-2.29151975e-02 2.29151975e-02 4.48685658e-13] [ 2.29151975e-02 -2.29151975e-02 3.06676071e-13] [-2.29151975e-02 -2.29151975e-02 4.46949335e-13]] Final stress: [-1.29728337e-03 -1.29728337e-03 -3.66567874e-03 -5.19434635e-17 -1.70910751e-16 3.01607208e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.08386847e-02 -1.23615961e-13 -1.77192028e-13] [-7.08386847e-02 1.91013871e-12 1.25471855e-12] [-5.84859445e-13 -2.69824945e-01 -2.04137922e-14] [-7.44487805e-13 2.69824945e-01 -2.29427588e-13] [-1.46984334e-12 -1.31061047e-12 7.08386847e-02] [-2.52220467e-12 -1.09640075e-12 -7.08386847e-02] [ 7.08386847e-02 1.97544238e-13 2.63278721e-13] [-7.08386847e-02 -6.05386928e-13 -1.25493859e-12] [-6.01595163e-13 -2.69824945e-01 9.79278813e-13] [-1.00438711e-12 2.69824945e-01 3.34506770e-13] [ 7.44916281e-14 2.50274271e-13 7.08386847e-02] [ 1.51601995e-12 1.02723700e-12 -7.08386847e-02] [-2.91378940e-02 -6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 -6.81100494e-03 2.91378940e-02] [-2.91378940e-02 6.81100494e-03 2.91378940e-02] [-2.91378940e-02 -6.81100494e-03 2.91378940e-02] [ 2.91378940e-02 6.81100494e-03 2.91378940e-02] [-2.91378940e-02 6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 -6.81100494e-03 -2.91378940e-02] [-2.91378940e-02 -6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 -6.81100494e-03 2.91378940e-02] [-2.91378940e-02 6.81100494e-03 2.91378940e-02] [-2.91378940e-02 -6.81100494e-03 2.91378940e-02] [ 2.91378940e-02 6.81100494e-03 2.91378940e-02] [-2.91378940e-02 6.81100494e-03 -2.91378940e-02] [ 2.91378940e-02 -6.81100494e-03 -2.91378940e-02] [-1.48170365e-12 -2.20601315e-12 -1.35699785e-12] [-3.25440803e-12 3.77695672e-12 1.94999022e-13] [-6.17772500e-12 5.97033902e-02 -1.20089689e-01] [-3.53680106e-12 -5.97033902e-02 -1.20089689e-01] [-6.41882381e-13 5.97033902e-02 1.20089689e-01] [ 6.54213473e-13 -5.97033902e-02 1.20089689e-01] [-2.62205273e-02 -3.06044079e-12 -2.62205272e-02] [-2.62205273e-02 1.91059148e-12 2.62205272e-02] [ 2.62205273e-02 2.72651693e-13 -2.62205272e-02] [ 2.62205273e-02 1.67052830e-12 2.62205273e-02] [-1.20089689e-01 5.97033902e-02 7.12407910e-12] [ 1.20089689e-01 5.97033902e-02 1.97063026e-12] [-1.20089689e-01 -5.97033902e-02 4.25452035e-12] [ 1.20089689e-01 -5.97033902e-02 1.71649977e-12] [-8.17922119e-16 5.97033902e-02 -1.20089689e-01] [-3.61404092e-12 -5.97033902e-02 -1.20089689e-01] [-7.66026131e-13 5.97033902e-02 1.20089689e-01] [-1.66361716e-12 -5.97033902e-02 1.20089689e-01] [-2.62205273e-02 -4.59276688e-12 -2.62205273e-02] [-2.62205273e-02 -5.09787742e-13 2.62205273e-02] [ 2.62205272e-02 -1.59533064e-12 -2.62205273e-02] [ 2.62205273e-02 9.54724581e-13 2.62205273e-02] [-1.20089689e-01 5.97033902e-02 -1.07444788e-12] [ 1.20089689e-01 5.97033902e-02 -4.13023972e-13] [-1.20089689e-01 -5.97033902e-02 -2.92699639e-12] [ 1.20089689e-01 -5.97033902e-02 -1.26476260e-12]] Final stress: [ 1.69077437e-03 2.19879728e-03 1.69077437e-03 -3.98547652e-15 -1.25370950e-16 -2.50247015e-15] Minimization converged after 33 steps. Minimization converged after 33 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.41442374e-02 -1.39716797e-14 4.21743803e-14] [ 6.41442374e-02 6.96664948e-15 3.74422715e-14] [ 1.74985894e-14 1.59668709e-02 -1.62543590e-14] [ 1.90680804e-14 -1.59668709e-02 -2.55628851e-14] [ 3.32091125e-14 3.12189510e-14 -6.41442374e-02] [ 6.08124662e-14 3.02535774e-15 6.41442374e-02] [-6.41442374e-02 3.36497323e-14 -2.91416447e-14] [ 6.41442374e-02 2.64042260e-14 -6.01617430e-14] [-9.26021412e-14 1.59668709e-02 2.51109855e-14] [-5.60471808e-14 -1.59668709e-02 -6.17608911e-15] [ 2.01622573e-14 -1.20633127e-14 -6.41442374e-02] [-2.53239270e-14 1.77586151e-14 6.41442374e-02] [-2.09726567e-03 -3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 -3.09116742e-02 2.09726567e-03] [-2.09726567e-03 3.09116742e-02 2.09726567e-03] [-2.09726567e-03 -3.09116742e-02 2.09726567e-03] [ 2.09726567e-03 3.09116742e-02 2.09726567e-03] [-2.09726567e-03 3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 -3.09116742e-02 -2.09726567e-03] [-2.09726567e-03 -3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 -3.09116742e-02 2.09726567e-03] [-2.09726567e-03 3.09116742e-02 2.09726567e-03] [-2.09726567e-03 -3.09116742e-02 2.09726567e-03] [ 2.09726567e-03 3.09116742e-02 2.09726567e-03] [-2.09726567e-03 3.09116742e-02 -2.09726567e-03] [ 2.09726567e-03 -3.09116742e-02 -2.09726567e-03] [ 6.10900219e-14 1.14908083e-14 2.01644257e-13] [-1.22214305e-13 -1.88362936e-14 -1.16579923e-13] [-4.72955008e-14 -1.75679373e-02 -9.29721188e-04] [-5.83907922e-14 1.75679373e-02 -9.29721188e-04] [ 7.02094632e-14 -1.75679373e-02 9.29721188e-04] [ 5.33600941e-15 1.75679373e-02 9.29721188e-04] [ 2.29128451e-02 -3.15192317e-13 2.29128451e-02] [ 2.29128451e-02 -1.55930824e-13 -2.29128451e-02] [-2.29128451e-02 -2.05451975e-13 2.29128451e-02] [-2.29128451e-02 -1.52854813e-13 -2.29128451e-02] [-9.29721188e-04 -1.75679373e-02 6.43929354e-14] [ 9.29721188e-04 -1.75679373e-02 1.27398092e-14] [-9.29721188e-04 1.75679373e-02 -7.19702076e-14] [ 9.29721188e-04 1.75679373e-02 -1.32003783e-13] [ 5.38609955e-14 -1.75679373e-02 -9.29721188e-04] [-2.38082123e-14 1.75679373e-02 -9.29721188e-04] [ 3.86639505e-14 -1.75679373e-02 9.29721188e-04] [-7.25036350e-14 1.75679373e-02 9.29721188e-04] [ 2.29128451e-02 5.05987333e-15 2.29128451e-02] [ 2.29128451e-02 -2.45646602e-14 -2.29128451e-02] [-2.29128451e-02 1.71503003e-13 2.29128451e-02] [-2.29128451e-02 7.02294126e-14 -2.29128451e-02] [-9.29721188e-04 -1.75679373e-02 2.53621764e-13] [ 9.29721188e-04 -1.75679373e-02 1.01448336e-13] [-9.29721188e-04 1.75679373e-02 1.35969076e-13] [ 9.29721188e-04 1.75679373e-02 2.88049532e-13]] Final stress: [-1.29725306e-03 -3.66558296e-03 -1.29725306e-03 1.00535736e-16 1.45776817e-16 -1.17291692e-16] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.36426856e-02 2.30804958e-15 -9.57013452e-03] [-1.36426856e-02 -6.43929354e-15 9.57013452e-03] [ 2.22283129e-14 -2.14608806e-03 -1.29696601e-14] [ 6.71684930e-15 2.14608806e-03 4.08006962e-15] [-6.76063852e-03 -7.53997559e-15 -3.40929796e-04] [ 6.76063852e-03 -1.37945211e-14 3.40929796e-04] [ 1.36426856e-02 9.23913723e-15 -9.57013452e-03] [-1.36426856e-02 3.46597751e-15 9.57013452e-03] [-4.97518693e-15 -2.14608806e-03 1.98182738e-14] [ 1.01316525e-14 2.14608806e-03 -4.22395510e-15] [-6.76063852e-03 7.65620206e-15 -3.40929796e-04] [ 6.76063852e-03 1.85779302e-14 3.40929796e-04] [-1.50749616e-03 1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 2.50992072e-03 2.76553428e-03] [ 1.50749616e-03 1.02218894e-02 -6.42699978e-03] [-3.90989937e-03 2.50992072e-03 -2.76553428e-03] [-3.90989937e-03 -2.50992072e-03 -2.76553428e-03] [ 1.50749616e-03 -1.02218894e-02 -6.42699978e-03] [-1.50749616e-03 -1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 -2.50992072e-03 2.76553428e-03] [-1.50749616e-03 1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 2.50992072e-03 2.76553428e-03] [ 1.50749616e-03 1.02218894e-02 -6.42699978e-03] [-3.90989937e-03 2.50992072e-03 -2.76553428e-03] [-3.90989937e-03 -2.50992072e-03 -2.76553428e-03] [ 1.50749616e-03 -1.02218894e-02 -6.42699978e-03] [-1.50749616e-03 -1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 -2.50992072e-03 2.76553428e-03] [-7.04991621e-15 -6.29774011e-14 -1.50157664e-14] [-6.79699352e-14 -3.43088302e-14 3.75202595e-14] [ 7.35333972e-03 7.10092286e-03 6.97151575e-03] [ 7.35333972e-03 -7.10092286e-03 6.97151575e-03] [-7.35333972e-03 7.10092286e-03 -6.97151575e-03] [-7.35333972e-03 -7.10092286e-03 -6.97151575e-03] [ 1.48835606e-02 -1.70974346e-14 9.20120189e-03] [-5.87693069e-03 5.74436332e-14 1.39663451e-02] [ 5.87693069e-03 -1.44502466e-14 -1.39663451e-02] [-1.48835606e-02 -9.16801357e-15 -9.20120189e-03] [ 4.38700785e-03 -2.55401913e-03 1.01551266e-02] [-4.38700785e-03 -2.55401913e-03 -1.01551266e-02] [ 4.38700785e-03 2.55401913e-03 1.01551266e-02] [-4.38700785e-03 2.55401913e-03 -1.01551266e-02] [ 7.35333972e-03 7.10092286e-03 6.97151575e-03] [ 7.35333972e-03 -7.10092286e-03 6.97151575e-03] [-7.35333972e-03 7.10092286e-03 -6.97151575e-03] [-7.35333972e-03 -7.10092286e-03 -6.97151575e-03] [ 1.48835606e-02 -1.83979429e-14 9.20120189e-03] [-5.87693069e-03 -3.84620721e-14 1.39663451e-02] [ 5.87693069e-03 -2.07689768e-15 -1.39663451e-02] [-1.48835606e-02 6.54337695e-15 -9.20120189e-03] [ 4.38700785e-03 -2.55401913e-03 1.01551266e-02] [-4.38700785e-03 -2.55401913e-03 -1.01551266e-02] [ 4.38700785e-03 2.55401913e-03 1.01551266e-02] [-4.38700785e-03 2.55401913e-03 -1.01551266e-02]] Final stress: [7.88666425e-05 1.39604230e-03 1.41139622e-03 2.48413013e-17 1.71587777e-03 1.15926073e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.36426855e-02 -6.46141127e-15 9.57013452e-03] [-1.36426855e-02 -1.47104551e-15 -9.57013452e-03] [-2.03830008e-17 -2.14608805e-03 2.21350716e-15] [ 3.35842465e-15 2.14608805e-03 6.74460487e-15] [ 6.76063852e-03 -5.63264713e-15 -3.40929796e-04] [-6.76063852e-03 -7.63278329e-15 3.40929796e-04] [ 1.36426855e-02 2.73522524e-15 9.57013452e-03] [-1.36426855e-02 6.80054971e-15 -9.57013452e-03] [ 1.37259995e-15 -2.14608805e-03 2.65209743e-15] [-3.93131708e-15 2.14608805e-03 -1.11484444e-15] [ 6.76063852e-03 8.88226331e-15 -3.40929796e-04] [-6.76063852e-03 8.96468862e-15 3.40929796e-04] [-3.90989937e-03 -2.50992071e-03 2.76553428e-03] [ 1.50749616e-03 -1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 -2.50992071e-03 -2.76553428e-03] [-1.50749616e-03 -1.02218894e-02 -6.42699978e-03] [-1.50749616e-03 1.02218894e-02 -6.42699978e-03] [ 3.90989937e-03 2.50992071e-03 -2.76553428e-03] [-3.90989937e-03 2.50992071e-03 2.76553428e-03] [ 1.50749616e-03 1.02218894e-02 6.42699978e-03] [-3.90989937e-03 -2.50992071e-03 2.76553428e-03] [ 1.50749616e-03 -1.02218894e-02 6.42699978e-03] [ 3.90989937e-03 -2.50992071e-03 -2.76553428e-03] [-1.50749616e-03 -1.02218894e-02 -6.42699978e-03] [-1.50749616e-03 1.02218894e-02 -6.42699978e-03] [ 3.90989937e-03 2.50992071e-03 -2.76553428e-03] [-3.90989937e-03 2.50992071e-03 2.76553428e-03] [ 1.50749616e-03 1.02218894e-02 6.42699978e-03] [ 2.91988655e-14 -6.70574707e-14 8.35720382e-14] [-4.85830993e-14 -5.13400079e-14 -7.12423572e-14] [-7.35333971e-03 7.10092286e-03 6.97151575e-03] [-7.35333971e-03 -7.10092286e-03 6.97151575e-03] [ 7.35333971e-03 7.10092286e-03 -6.97151575e-03] [ 7.35333971e-03 -7.10092286e-03 -6.97151575e-03] [-5.87693069e-03 -6.69464484e-14 -1.39663451e-02] [ 1.48835606e-02 -5.20347654e-14 -9.20120189e-03] [-1.48835606e-02 -5.66508646e-14 9.20120189e-03] [ 5.87693069e-03 -1.88477706e-14 1.39663451e-02] [ 4.38700785e-03 -2.55401913e-03 -1.01551266e-02] [-4.38700785e-03 -2.55401913e-03 1.01551266e-02] [ 4.38700785e-03 2.55401913e-03 -1.01551266e-02] [-4.38700785e-03 2.55401913e-03 1.01551266e-02] [-7.35333971e-03 7.10092286e-03 6.97151575e-03] [-7.35333971e-03 -7.10092286e-03 6.97151575e-03] [ 7.35333971e-03 7.10092286e-03 -6.97151575e-03] [ 7.35333971e-03 -7.10092286e-03 -6.97151575e-03] [-5.87693069e-03 -5.92091149e-15 -1.39663451e-02] [ 1.48835606e-02 6.43864302e-15 -9.20120189e-03] [-1.48835606e-02 -1.62370117e-14 9.20120189e-03] [ 5.87693069e-03 1.53470986e-14 1.39663451e-02] [ 4.38700785e-03 -2.55401913e-03 -1.01551266e-02] [-4.38700785e-03 -2.55401913e-03 1.01551266e-02] [ 4.38700785e-03 2.55401913e-03 -1.01551266e-02] [-4.38700785e-03 2.55401913e-03 1.01551266e-02]] Final stress: [ 7.88666427e-05 1.39604230e-03 1.41139622e-03 -4.96826027e-18 -1.71587777e-03 1.15926073e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[ 6.27938340e-04 -2.35156079e-12 1.65428031e-01] [-6.27938343e-04 2.44915199e-13 -1.65428031e-01] [ 1.39738655e-12 -1.55635539e-01 -2.15458294e-13] [-1.06883946e-12 1.55635539e-01 -7.14428516e-13] [-4.01098883e-02 -1.00200490e-12 -9.92925803e-02] [ 4.01098883e-02 -4.68902694e-13 9.92925803e-02] [ 6.27938345e-04 2.04031583e-12 1.65428031e-01] [-6.27938343e-04 1.39923229e-13 -1.65428031e-01] [-9.60523761e-13 -1.55635539e-01 -3.80077792e-13] [ 9.51601645e-13 1.55635539e-01 -4.12101146e-13] [-4.01098883e-02 8.25994502e-13 -9.92925803e-02] [ 4.01098883e-02 5.29067816e-13 9.92925803e-02] [-5.71777707e-02 -1.30404859e-01 1.90781173e-02] [-4.71734836e-02 -2.61974737e-02 7.29250034e-02] [ 5.71777707e-02 -1.30404859e-01 -1.90781173e-02] [ 4.71734836e-02 -2.61974737e-02 -7.29250034e-02] [ 4.71734836e-02 2.61974737e-02 -7.29250034e-02] [ 5.71777707e-02 1.30404859e-01 -1.90781173e-02] [-5.71777707e-02 1.30404859e-01 1.90781173e-02] [-4.71734836e-02 2.61974737e-02 7.29250034e-02] [-5.71777707e-02 -1.30404859e-01 1.90781173e-02] [-4.71734836e-02 -2.61974738e-02 7.29250034e-02] [ 5.71777707e-02 -1.30404859e-01 -1.90781173e-02] [ 4.71734836e-02 -2.61974738e-02 -7.29250034e-02] [ 4.71734836e-02 2.61974738e-02 -7.29250034e-02] [ 5.71777707e-02 1.30404859e-01 -1.90781173e-02] [-5.71777707e-02 1.30404859e-01 1.90781173e-02] [-4.71734836e-02 2.61974738e-02 7.29250034e-02] [ 1.84074977e-12 -1.50562895e-12 2.53685961e-13] [-1.59189242e-12 2.26387376e-12 5.85327542e-13] [ 2.80198306e-02 -1.19217139e-02 -5.56524875e-02] [ 2.80198306e-02 1.19217140e-02 -5.56524875e-02] [-2.80198306e-02 -1.19217139e-02 5.56524875e-02] [-2.80198306e-02 1.19217139e-02 5.56524875e-02] [ 5.18966464e-02 8.28237479e-12 8.12670684e-02] [-1.22560070e-02 8.56210328e-12 9.77496358e-02] [ 1.22560069e-02 1.19604587e-12 -9.77496358e-02] [-5.18966463e-02 1.12903306e-12 -8.12670684e-02] [-5.45619182e-02 -8.38768620e-02 7.88391692e-02] [ 5.45619182e-02 -8.38768620e-02 -7.88391692e-02] [-5.45619182e-02 8.38768620e-02 7.88391692e-02] [ 5.45619182e-02 8.38768620e-02 -7.88391692e-02] [ 2.80198307e-02 -1.19217133e-02 -5.56524881e-02] [ 2.80198307e-02 1.19217133e-02 -5.56524881e-02] [-2.80198307e-02 -1.19217133e-02 5.56524881e-02] [-2.80198307e-02 1.19217133e-02 5.56524881e-02] [ 5.18966459e-02 -9.49495168e-12 8.12670688e-02] [-1.22560074e-02 -9.44597569e-12 9.77496353e-02] [ 1.22560074e-02 -1.31450883e-12 -9.77496353e-02] [-5.18966459e-02 -1.55219067e-12 -8.12670688e-02] [-5.45619178e-02 -8.38768624e-02 7.88391692e-02] [ 5.45619178e-02 -8.38768624e-02 -7.88391692e-02] [-5.45619178e-02 8.38768624e-02 7.88391692e-02] [ 5.45619178e-02 8.38768624e-02 -7.88391692e-02]] Final stress: [-1.04186876e-03 -3.10727957e-03 -4.40499906e-03 1.58228393e-15 1.51400677e-03 -1.38366390e-15] Minimization converged after 62 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.36426856e-02 -9.57013452e-03 6.46097759e-15] [-1.36426856e-02 9.57013452e-03 1.77635684e-15] [-6.76063852e-03 -3.40929796e-04 2.25600788e-15] [ 6.76063852e-03 3.40929796e-04 6.46704912e-15] [ 1.47017815e-15 -5.09228076e-15 -2.14608806e-03] [ 1.77913240e-14 5.16253706e-15 2.14608806e-03] [ 1.36426856e-02 -9.57013452e-03 -9.12759127e-15] [-1.36426856e-02 9.57013452e-03 -1.36951771e-14] [-6.76063852e-03 -3.40929796e-04 -1.82521456e-14] [ 6.76063852e-03 3.40929796e-04 -2.22155433e-15] [-8.67361738e-16 -4.13109149e-15 -2.14608806e-03] [-1.18178037e-14 -5.63759549e-15 2.14608806e-03] [-1.50749616e-03 6.42699978e-03 1.02218894e-02] [ 1.50749616e-03 -6.42699978e-03 1.02218894e-02] [ 3.90989937e-03 2.76553428e-03 2.50992072e-03] [-3.90989937e-03 -2.76553428e-03 2.50992072e-03] [-1.50749616e-03 6.42699978e-03 -1.02218894e-02] [ 1.50749616e-03 -6.42699978e-03 -1.02218894e-02] [-3.90989937e-03 -2.76553428e-03 -2.50992072e-03] [ 3.90989937e-03 2.76553428e-03 -2.50992072e-03] [-1.50749616e-03 6.42699978e-03 1.02218894e-02] [ 1.50749616e-03 -6.42699978e-03 1.02218894e-02] [ 3.90989937e-03 2.76553428e-03 2.50992072e-03] [-3.90989937e-03 -2.76553428e-03 2.50992072e-03] [-1.50749616e-03 6.42699978e-03 -1.02218894e-02] [ 1.50749616e-03 -6.42699978e-03 -1.02218894e-02] [-3.90989937e-03 -2.76553428e-03 -2.50992072e-03] [ 3.90989937e-03 2.76553428e-03 -2.50992072e-03] [ 1.20736754e-14 -5.28743715e-14 3.48332474e-14] [-3.87342068e-14 -1.54658560e-14 -1.14312161e-14] [ 7.35333972e-03 6.97151575e-03 7.10092286e-03] [-7.35333972e-03 -6.97151575e-03 7.10092286e-03] [ 7.35333972e-03 6.97151575e-03 -7.10092286e-03] [-7.35333972e-03 -6.97151575e-03 -7.10092286e-03] [ 4.38700785e-03 1.01551266e-02 -2.55401913e-03] [ 4.38700785e-03 1.01551266e-02 2.55401913e-03] [-4.38700785e-03 -1.01551266e-02 -2.55401913e-03] [-4.38700785e-03 -1.01551266e-02 2.55401913e-03] [ 1.48835606e-02 9.20120189e-03 4.94049246e-14] [ 5.87693069e-03 -1.39663451e-02 3.37230244e-14] [-5.87693069e-03 1.39663451e-02 4.13731549e-14] [-1.48835606e-02 -9.20120189e-03 2.21697660e-14] [ 7.35333972e-03 6.97151575e-03 7.10092286e-03] [-7.35333972e-03 -6.97151575e-03 7.10092286e-03] [ 7.35333972e-03 6.97151575e-03 -7.10092286e-03] [-7.35333972e-03 -6.97151575e-03 -7.10092286e-03] [ 4.38700785e-03 1.01551266e-02 -2.55401913e-03] [ 4.38700785e-03 1.01551266e-02 2.55401913e-03] [-4.38700785e-03 -1.01551266e-02 -2.55401913e-03] [-4.38700785e-03 -1.01551266e-02 2.55401913e-03] [ 1.48835606e-02 9.20120189e-03 7.65715772e-14] [ 5.87693069e-03 -1.39663451e-02 3.31585087e-14] [-5.87693069e-03 1.39663451e-02 4.63356851e-14] [-1.48835606e-02 -9.20120189e-03 -8.69616879e-15]] Final stress: [ 7.88666425e-05 1.41139622e-03 1.39604230e-03 -2.31852146e-17 2.48413013e-17 1.71587777e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.36426856e-02 9.57013453e-03 -2.90132501e-15] [-1.36426856e-02 -9.57013453e-03 2.85882429e-15] [ 6.76063852e-03 -3.40929798e-04 -1.34428059e-14] [-6.76063852e-03 3.40929798e-04 6.24500451e-15] [-8.38218384e-15 6.58674504e-15 -2.14608806e-03] [ 7.35522754e-15 -7.99360578e-15 2.14608806e-03] [ 1.36426856e-02 9.57013453e-03 -1.23448092e-15] [-1.36426856e-02 -9.57013453e-03 -1.79699341e-15] [ 6.76063852e-03 -3.40929798e-04 1.90946052e-14] [-6.76063852e-03 3.40929798e-04 -1.21841547e-14] [-4.67551345e-15 -1.33761647e-14 -2.14608806e-03] [-8.58427912e-15 1.16803370e-14 2.14608806e-03] [-3.90989937e-03 2.76553428e-03 -2.50992072e-03] [ 3.90989937e-03 -2.76553428e-03 -2.50992072e-03] [ 1.50749616e-03 6.42699978e-03 -1.02218894e-02] [-1.50749616e-03 -6.42699978e-03 -1.02218894e-02] [-3.90989937e-03 2.76553428e-03 2.50992072e-03] [ 3.90989937e-03 -2.76553428e-03 2.50992072e-03] [-1.50749616e-03 -6.42699978e-03 1.02218894e-02] [ 1.50749616e-03 6.42699978e-03 1.02218894e-02] [-3.90989937e-03 2.76553428e-03 -2.50992072e-03] [ 3.90989937e-03 -2.76553428e-03 -2.50992072e-03] [ 1.50749616e-03 6.42699978e-03 -1.02218894e-02] [-1.50749616e-03 -6.42699978e-03 -1.02218894e-02] [-3.90989937e-03 2.76553428e-03 2.50992072e-03] [ 3.90989937e-03 -2.76553428e-03 2.50992072e-03] [-1.50749616e-03 -6.42699978e-03 1.02218894e-02] [ 1.50749616e-03 6.42699978e-03 1.02218894e-02] [ 5.84532422e-14 -2.65620859e-14 -4.38538095e-15] [-4.06506426e-14 -3.77993111e-14 1.07603321e-13] [-7.35333972e-03 6.97151575e-03 7.10092286e-03] [ 7.35333972e-03 -6.97151575e-03 7.10092286e-03] [-7.35333972e-03 6.97151575e-03 -7.10092286e-03] [ 7.35333972e-03 -6.97151575e-03 -7.10092286e-03] [ 4.38700785e-03 -1.01551266e-02 -2.55401913e-03] [ 4.38700785e-03 -1.01551266e-02 2.55401913e-03] [-4.38700785e-03 1.01551266e-02 -2.55401913e-03] [-4.38700785e-03 1.01551266e-02 2.55401913e-03] [-5.87693069e-03 -1.39663451e-02 1.27120536e-13] [-1.48835606e-02 9.20120190e-03 7.39928951e-14] [ 1.48835606e-02 -9.20120190e-03 -8.95637731e-15] [ 5.87693069e-03 1.39663451e-02 1.72726417e-14] [-7.35333972e-03 6.97151575e-03 7.10092286e-03] [ 7.35333972e-03 -6.97151575e-03 7.10092286e-03] [-7.35333972e-03 6.97151575e-03 -7.10092286e-03] [ 7.35333972e-03 -6.97151575e-03 -7.10092286e-03] [ 4.38700785e-03 -1.01551266e-02 -2.55401913e-03] [ 4.38700785e-03 -1.01551266e-02 2.55401913e-03] [-4.38700785e-03 1.01551266e-02 -2.55401913e-03] [-4.38700785e-03 1.01551266e-02 2.55401913e-03] [-5.87693069e-03 -1.39663451e-02 -2.49503109e-14] [-1.48835606e-02 9.20120190e-03 -4.41539979e-14] [ 1.48835606e-02 -9.20120190e-03 4.65341199e-14] [ 5.87693069e-03 1.39663451e-02 -2.16059809e-14]] Final stress: [ 7.88666424e-05 1.41139622e-03 1.39604230e-03 -1.49047808e-17 -1.32486941e-17 -1.71587777e-03] Minimization converged after 74 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[ 8.83136417e-04 -1.31650412e-01 -1.60036697e-12] [-8.83136414e-04 1.31650412e-01 -9.28646049e-13] [ 2.77951119e-02 -1.00036793e-01 -1.50573174e-12] [-2.77951119e-02 1.00036793e-01 -1.50243706e-12] [ 1.69237020e-13 3.64893012e-13 -8.67292435e-02] [-6.52172760e-13 7.04991621e-14 8.67292435e-02] [ 8.83136409e-04 -1.31650412e-01 2.13527206e-12] [-8.83136411e-04 1.31650412e-01 2.10086424e-12] [ 2.77951118e-02 -1.00036793e-01 8.39740520e-13] [-2.77951118e-02 1.00036793e-01 1.00307069e-13] [ 4.55952550e-13 -2.63521410e-13 -8.67292435e-02] [ 4.26472659e-13 5.04328906e-14 8.67292435e-02] [ 3.87594999e-02 6.05493278e-02 1.77348389e-02] [-3.87594999e-02 -6.05493278e-02 1.77348389e-02] [ 3.80408141e-02 1.65935586e-02 1.07073073e-01] [-3.80408141e-02 -1.65935586e-02 1.07073073e-01] [ 3.87594999e-02 6.05493278e-02 -1.77348389e-02] [-3.87594999e-02 -6.05493278e-02 -1.77348389e-02] [-3.80408141e-02 -1.65935586e-02 -1.07073073e-01] [ 3.80408141e-02 1.65935586e-02 -1.07073073e-01] [ 3.87594999e-02 6.05493278e-02 1.77348389e-02] [-3.87594999e-02 -6.05493278e-02 1.77348389e-02] [ 3.80408142e-02 1.65935587e-02 1.07073073e-01] [-3.80408142e-02 -1.65935587e-02 1.07073073e-01] [ 3.87594999e-02 6.05493278e-02 -1.77348389e-02] [-3.87594999e-02 -6.05493278e-02 -1.77348389e-02] [-3.80408142e-02 -1.65935587e-02 -1.07073073e-01] [ 3.80408142e-02 1.65935587e-02 -1.07073073e-01] [-1.04738440e-12 1.01729736e-12 -3.22714078e-12] [ 9.71973153e-13 -8.64459454e-13 -5.32023668e-13] [-3.08418632e-02 -4.56544340e-02 -1.11245764e-02] [ 3.08418633e-02 4.56544340e-02 -1.11245764e-02] [-3.08418632e-02 -4.56544340e-02 1.11245765e-02] [ 3.08418633e-02 4.56544340e-02 1.11245765e-02] [-3.55209538e-02 -5.94650542e-02 -6.57163195e-02] [-3.55209538e-02 -5.94650542e-02 6.57163195e-02] [ 3.55209538e-02 5.94650542e-02 -6.57163195e-02] [ 3.55209538e-02 5.94650542e-02 6.57163195e-02] [-1.10828843e-02 -6.38811389e-02 7.63722419e-12] [-4.12300203e-02 6.90032620e-02 6.26413331e-12] [ 4.12300203e-02 -6.90032620e-02 6.46440020e-12] [ 1.10828843e-02 6.38811389e-02 5.69358775e-12] [-3.08418632e-02 -4.56544323e-02 -1.11245782e-02] [ 3.08418632e-02 4.56544323e-02 -1.11245782e-02] [-3.08418632e-02 -4.56544324e-02 1.11245782e-02] [ 3.08418632e-02 4.56544324e-02 1.11245782e-02] [-3.55209549e-02 -5.94650542e-02 -6.57163184e-02] [-3.55209549e-02 -5.94650542e-02 6.57163183e-02] [ 3.55209549e-02 5.94650542e-02 -6.57163184e-02] [ 3.55209549e-02 5.94650542e-02 6.57163183e-02] [-1.10828831e-02 -6.38811401e-02 -9.57185943e-12] [-4.12300216e-02 6.90032608e-02 -8.17389906e-12] [ 4.12300216e-02 -6.90032608e-02 -9.13880880e-12] [ 1.10828831e-02 6.38811401e-02 -6.52183212e-12]] Final stress: [-1.57883234e-03 -4.08262336e-03 -3.13824281e-03 -1.21508723e-15 -1.11327361e-15 -1.53634140e-03] Minimization converged after 23 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.69824945e-01 3.80475897e-13 -5.03979183e-13] [ 2.69824945e-01 5.13089571e-13 -6.92140789e-13] [-1.99258145e-13 7.08386847e-02 -3.41619094e-14] [-1.48026036e-12 -7.08386847e-02 -1.03844711e-12] [ 4.89122198e-13 1.21700957e-12 7.08386847e-02] [ 1.71751502e-13 2.69667622e-12 -7.08386847e-02] [-2.69824945e-01 -1.71879004e-13 -7.11801595e-13] [ 2.69824945e-01 -5.63377470e-14 -1.82290559e-13] [-6.39327567e-13 7.08386847e-02 3.52675573e-13] [ 2.89269476e-13 -7.08386847e-02 -6.48438899e-13] [ 1.14058936e-13 7.84653650e-13 7.08386847e-02] [-8.25338062e-13 1.38505091e-13 -7.08386847e-02] [-6.81100493e-03 -2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 -2.91378940e-02 2.91378940e-02] [-6.81100493e-03 2.91378940e-02 2.91378940e-02] [-6.81100493e-03 -2.91378940e-02 2.91378940e-02] [ 6.81100493e-03 2.91378940e-02 2.91378940e-02] [-6.81100493e-03 2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 -2.91378940e-02 -2.91378940e-02] [-6.81100493e-03 -2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 -2.91378940e-02 2.91378940e-02] [-6.81100493e-03 2.91378940e-02 2.91378940e-02] [-6.81100493e-03 -2.91378940e-02 2.91378940e-02] [ 6.81100493e-03 2.91378940e-02 2.91378940e-02] [-6.81100493e-03 2.91378940e-02 -2.91378940e-02] [ 6.81100493e-03 -2.91378940e-02 -2.91378940e-02] [ 9.02194985e-13 -3.96044308e-13 -1.63993819e-12] [-1.55740351e-12 -4.22843422e-12 -1.19493410e-13] [ 4.52082816e-13 -2.62205273e-02 -2.62205273e-02] [ 1.48037138e-12 2.62205273e-02 -2.62205273e-02] [-1.71572825e-12 -2.62205273e-02 2.62205273e-02] [-3.93173341e-13 2.62205273e-02 2.62205273e-02] [ 5.97033902e-02 -2.18480789e-12 -1.20089689e-01] [ 5.97033902e-02 -1.98183484e-13 1.20089689e-01] [-5.97033902e-02 -2.94188285e-12 -1.20089689e-01] [-5.97033902e-02 2.07397955e-13 1.20089689e-01] [ 5.97033902e-02 -1.20089689e-01 -3.91786603e-12] [-5.97033902e-02 -1.20089689e-01 -3.93057115e-13] [ 5.97033902e-02 1.20089689e-01 -5.80289809e-12] [-5.97033902e-02 1.20089689e-01 -1.62286702e-12] [-5.58041330e-12 -2.62205273e-02 -2.62205273e-02] [-4.59041399e-12 2.62205273e-02 -2.62205273e-02] [-3.79859035e-12 -2.62205273e-02 2.62205273e-02] [-3.75559089e-12 2.62205273e-02 2.62205273e-02] [ 5.97033902e-02 -3.64025010e-12 -1.20089689e-01] [ 5.97033902e-02 -1.29793263e-12 1.20089689e-01] [-5.97033902e-02 -1.27864603e-12 -1.20089689e-01] [-5.97033902e-02 2.90208396e-12 1.20089689e-01] [ 5.97033902e-02 -1.20089689e-01 1.86593031e-13] [-5.97033902e-02 -1.20089689e-01 2.00584562e-12] [ 5.97033902e-02 1.20089689e-01 -1.02521187e-12] [-5.97033902e-02 1.20089689e-01 -1.72409222e-12]] Final stress: [ 2.19879728e-03 1.69077437e-03 1.69077437e-03 -2.24348016e-16 9.51829451e-16 -1.58528267e-15] Minimization converged after 33 steps. Minimization converged after 33 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.59656173e-02 3.95889918e-14 2.10283180e-14] [-1.59656173e-02 3.10029780e-14 6.25610674e-14] [ 5.04665754e-14 -6.41473175e-02 -2.71982957e-15] [ 8.44047054e-14 6.41473175e-02 2.77278200e-14] [ 2.81829681e-14 -9.76866157e-15 -6.41473175e-02] [-1.87627691e-14 -2.42583731e-14 6.41473175e-02] [ 1.59656173e-02 -1.87536618e-14 2.11335378e-14] [-1.59656173e-02 -1.62417822e-14 2.61325654e-14] [ 1.15515236e-14 -6.41473175e-02 -6.20119625e-14] [ 1.13884596e-15 6.41473175e-02 -5.83703039e-14] [-3.05328679e-14 -3.25912073e-14 -6.41473175e-02] [ 3.26648431e-15 2.85974402e-14 6.41473175e-02] [-3.09120030e-02 -2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 -2.09688275e-03 2.09688275e-03] [-3.09120030e-02 2.09688275e-03 2.09688275e-03] [-3.09120030e-02 -2.09688275e-03 2.09688275e-03] [ 3.09120030e-02 2.09688275e-03 2.09688275e-03] [-3.09120030e-02 2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 -2.09688275e-03 -2.09688275e-03] [-3.09120030e-02 -2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 -2.09688275e-03 2.09688275e-03] [-3.09120030e-02 2.09688275e-03 2.09688275e-03] [-3.09120030e-02 -2.09688275e-03 2.09688275e-03] [ 3.09120030e-02 2.09688275e-03 2.09688275e-03] [-3.09120030e-02 2.09688275e-03 -2.09688275e-03] [ 3.09120030e-02 -2.09688275e-03 -2.09688275e-03] [ 2.51687560e-13 1.59872116e-14 2.11164419e-13] [-1.04677985e-13 1.11242611e-13 3.69749195e-14] [-3.03423953e-13 2.29140705e-02 2.29140705e-02] [-1.45628301e-13 -2.29140705e-02 2.29140705e-02] [-1.51684221e-14 2.29140705e-02 -2.29140705e-02] [-5.83969620e-14 -2.29140705e-02 -2.29140705e-02] [-1.75631680e-02 4.32986980e-14 -9.31966827e-04] [-1.75631680e-02 2.88373492e-13 9.31966827e-04] [ 1.75631680e-02 8.40820469e-14 -9.31966828e-04] [ 1.75631680e-02 -1.74513182e-15 9.31966827e-04] [-1.75631680e-02 -9.31966827e-04 1.40887302e-13] [ 1.75631680e-02 -9.31966827e-04 4.70890688e-14] [-1.75631680e-02 9.31966827e-04 4.78939804e-14] [ 1.75631680e-02 9.31966827e-04 -2.43166598e-13] [ 2.77316798e-13 2.29140705e-02 2.29140705e-02] [ 2.50173146e-14 -2.29140705e-02 2.29140705e-02] [ 4.26950142e-14 2.29140705e-02 -2.29140705e-02] [ 1.76080504e-13 -2.29140705e-02 -2.29140705e-02] [-1.75631680e-02 2.09122123e-13 -9.31966827e-04] [-1.75631680e-02 -5.00975129e-14 9.31966827e-04] [ 1.75631680e-02 9.46707990e-14 -9.31966827e-04] [ 1.75631680e-02 4.14885140e-14 9.31966827e-04] [-1.75631680e-02 -9.31966827e-04 1.97616531e-13] [ 1.75631680e-02 -9.31966827e-04 6.73135321e-14] [-1.75631680e-02 9.31966828e-04 1.22331114e-13] [ 1.75631680e-02 9.31966827e-04 3.15017110e-13]] Final stress: [-3.66563901e-03 -1.29726722e-03 -1.29726722e-03 -1.05562523e-16 -8.37797799e-18 -8.37797799e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.14608806e-03 -1.25181983e-14 -1.49394386e-14] [ 2.14608806e-03 1.40165657e-14 7.46624984e-15] [ 1.28937659e-14 1.36426856e-02 -9.57013453e-03] [-4.96824804e-15 -1.36426856e-02 9.57013453e-03] [ 9.65677191e-15 -6.76063852e-03 -3.40929797e-04] [ 7.57727214e-15 6.76063852e-03 3.40929797e-04] [-2.14608806e-03 1.07808727e-14 8.60234125e-15] [ 2.14608806e-03 -1.52967916e-14 -1.74086785e-15] [ 1.19479079e-15 1.36426856e-02 -9.57013453e-03] [ 1.84054161e-14 -1.36426856e-02 9.57013453e-03] [-2.35575448e-14 -6.76063852e-03 -3.40929797e-04] [-5.27355937e-15 6.76063852e-03 3.40929797e-04] [ 1.02218894e-02 -1.50749616e-03 6.42699978e-03] [ 2.50992072e-03 3.90989937e-03 2.76553428e-03] [ 2.50992072e-03 -3.90989937e-03 -2.76553428e-03] [ 1.02218894e-02 1.50749616e-03 -6.42699978e-03] [-2.50992072e-03 -3.90989937e-03 -2.76553428e-03] [-1.02218894e-02 1.50749616e-03 -6.42699978e-03] [-2.50992072e-03 3.90989937e-03 2.76553428e-03] [-1.02218894e-02 -1.50749616e-03 6.42699978e-03] [ 1.02218894e-02 -1.50749616e-03 6.42699978e-03] [ 2.50992072e-03 3.90989937e-03 2.76553428e-03] [ 2.50992072e-03 -3.90989937e-03 -2.76553428e-03] [ 1.02218894e-02 1.50749616e-03 -6.42699978e-03] [-2.50992072e-03 -3.90989937e-03 -2.76553428e-03] [-1.02218894e-02 1.50749616e-03 -6.42699978e-03] [-2.50992072e-03 3.90989937e-03 2.76553428e-03] [-1.02218894e-02 -1.50749616e-03 6.42699978e-03] [ 6.14508444e-14 -7.57172103e-14 1.45439216e-14] [-5.14497299e-14 -1.85774217e-14 3.59016494e-15] [-1.36002321e-13 1.48835606e-02 9.20120190e-03] [-1.68302872e-14 5.87693069e-03 -1.39663451e-02] [-5.31935607e-14 -5.87693069e-03 1.39663451e-02] [-6.39245601e-15 -1.48835606e-02 -9.20120190e-03] [ 7.10092286e-03 7.35333972e-03 6.97151576e-03] [ 7.10092286e-03 -7.35333972e-03 -6.97151576e-03] [-7.10092286e-03 7.35333972e-03 6.97151576e-03] [-7.10092286e-03 -7.35333972e-03 -6.97151576e-03] [-2.55401913e-03 4.38700785e-03 1.01551266e-02] [ 2.55401913e-03 4.38700785e-03 1.01551266e-02] [-2.55401913e-03 -4.38700785e-03 -1.01551266e-02] [ 2.55401913e-03 -4.38700785e-03 -1.01551266e-02] [ 7.64288806e-14 1.48835606e-02 9.20120190e-03] [ 5.79024675e-14 5.87693069e-03 -1.39663451e-02] [ 5.27598798e-14 -5.87693069e-03 1.39663451e-02] [-6.09451725e-15 -1.48835606e-02 -9.20120190e-03] [ 7.10092287e-03 7.35333972e-03 6.97151576e-03] [ 7.10092287e-03 -7.35333972e-03 -6.97151576e-03] [-7.10092287e-03 7.35333972e-03 6.97151576e-03] [-7.10092286e-03 -7.35333972e-03 -6.97151576e-03] [-2.55401913e-03 4.38700785e-03 1.01551266e-02] [ 2.55401913e-03 4.38700785e-03 1.01551266e-02] [-2.55401913e-03 -4.38700785e-03 -1.01551266e-02] [ 2.55401913e-03 -4.38700785e-03 -1.01551266e-02]] Final stress: [ 1.39604230e-03 7.88666423e-05 1.41139622e-03 1.71587777e-03 -2.98095616e-17 -8.28043378e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.14608806e-03 7.29234381e-15 -1.82492910e-15] [ 2.14608806e-03 -6.13398221e-15 6.38378239e-15] [ 5.90196295e-15 1.36426856e-02 9.57013453e-03] [ 1.11854970e-14 -1.36426856e-02 -9.57013453e-03] [ 7.80625564e-16 6.76063853e-03 -3.40929797e-04] [-1.02695630e-15 -6.76063853e-03 3.40929797e-04] [-2.14608806e-03 -2.34794822e-15 -1.30771502e-14] [ 2.14608806e-03 1.24041402e-14 -2.82257805e-15] [ 8.53830895e-15 1.36426856e-02 9.57013453e-03] [-4.51982202e-15 -1.36426856e-02 -9.57013453e-03] [-7.76071915e-15 6.76063853e-03 -3.40929797e-04] [-1.19218871e-14 -6.76063853e-03 3.40929797e-04] [-2.50992072e-03 -3.90989937e-03 2.76553429e-03] [-1.02218894e-02 1.50749615e-03 6.42699979e-03] [-1.02218894e-02 -1.50749615e-03 -6.42699979e-03] [-2.50992072e-03 3.90989937e-03 -2.76553429e-03] [ 1.02218894e-02 -1.50749615e-03 -6.42699979e-03] [ 2.50992072e-03 3.90989937e-03 -2.76553429e-03] [ 1.02218894e-02 1.50749615e-03 6.42699979e-03] [ 2.50992072e-03 -3.90989937e-03 2.76553429e-03] [-2.50992072e-03 -3.90989937e-03 2.76553429e-03] [-1.02218894e-02 1.50749615e-03 6.42699979e-03] [-1.02218894e-02 -1.50749615e-03 -6.42699979e-03] [-2.50992072e-03 3.90989937e-03 -2.76553429e-03] [ 1.02218894e-02 -1.50749615e-03 -6.42699979e-03] [ 2.50992072e-03 3.90989937e-03 -2.76553429e-03] [ 1.02218894e-02 1.50749615e-03 6.42699979e-03] [ 2.50992072e-03 -3.90989937e-03 2.76553429e-03] [ 6.94999613e-14 -1.47382107e-14 3.58602037e-14] [-6.26447678e-14 -3.60522463e-14 -2.45278013e-14] [ 1.92068583e-14 -5.87693069e-03 -1.39663451e-02] [-1.11126386e-14 -1.48835606e-02 9.20120190e-03] [ 3.67379738e-14 1.48835606e-02 -9.20120190e-03] [-1.22107185e-14 5.87693069e-03 1.39663451e-02] [ 7.10092287e-03 -7.35333973e-03 6.97151576e-03] [ 7.10092287e-03 7.35333973e-03 -6.97151576e-03] [-7.10092287e-03 -7.35333973e-03 6.97151576e-03] [-7.10092287e-03 7.35333973e-03 -6.97151576e-03] [-2.55401913e-03 4.38700786e-03 -1.01551266e-02] [ 2.55401913e-03 4.38700786e-03 -1.01551266e-02] [-2.55401913e-03 -4.38700786e-03 1.01551266e-02] [ 2.55401913e-03 -4.38700786e-03 1.01551266e-02] [-2.46699362e-14 -5.87693069e-03 -1.39663451e-02] [ 3.68025922e-14 -1.48835606e-02 9.20120190e-03] [ 9.76302372e-15 1.48835606e-02 -9.20120190e-03] [ 2.23254575e-14 5.87693069e-03 1.39663451e-02] [ 7.10092287e-03 -7.35333973e-03 6.97151576e-03] [ 7.10092287e-03 7.35333973e-03 -6.97151576e-03] [-7.10092287e-03 -7.35333973e-03 6.97151576e-03] [-7.10092287e-03 7.35333973e-03 -6.97151576e-03] [-2.55401913e-03 4.38700786e-03 -1.01551266e-02] [ 2.55401913e-03 4.38700786e-03 -1.01551266e-02] [-2.55401913e-03 -4.38700786e-03 1.01551266e-02] [ 2.55401913e-03 -4.38700786e-03 1.01551266e-02]] Final stress: [ 1.39604230e-03 7.88666422e-05 1.41139622e-03 -1.71587777e-03 -1.32486941e-17 1.49047808e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[-1.21178646e-01 3.60674164e-13 3.92201462e-13] [ 1.21178646e-01 -1.46771484e-13 -9.44577749e-13] [-1.18461664e-13 1.32977699e-03 1.49895783e-01] [ 1.97342143e-13 -1.32977699e-03 -1.49895783e-01] [-1.24782216e-12 -3.42403749e-02 -1.00749043e-01] [ 5.35738121e-13 3.42403749e-02 1.00749043e-01] [-1.21178646e-01 -1.42358347e-13 -1.00308352e-13] [ 1.21178646e-01 1.51462124e-13 1.59877667e-12] [ 5.94432923e-13 1.32977699e-03 1.49895783e-01] [-6.11828296e-14 -1.32977699e-03 -1.49895783e-01] [ 3.92580933e-13 -3.42403750e-02 -1.00749043e-01] [-1.08897726e-12 3.42403750e-02 1.00749043e-01] [-1.20236440e-01 -4.87274951e-02 1.90337363e-02] [-2.18848684e-02 -4.30543869e-02 6.73420540e-02] [-2.18848684e-02 4.30543869e-02 -6.73420540e-02] [-1.20236440e-01 4.87274951e-02 -1.90337363e-02] [ 2.18848684e-02 4.30543869e-02 -6.73420540e-02] [ 1.20236440e-01 4.87274951e-02 -1.90337363e-02] [ 2.18848684e-02 -4.30543869e-02 6.73420540e-02] [ 1.20236440e-01 -4.87274951e-02 1.90337363e-02] [-1.20236440e-01 -4.87274950e-02 1.90337363e-02] [-2.18848684e-02 -4.30543869e-02 6.73420540e-02] [-2.18848684e-02 4.30543869e-02 -6.73420540e-02] [-1.20236440e-01 4.87274950e-02 -1.90337363e-02] [ 2.18848684e-02 4.30543869e-02 -6.73420540e-02] [ 1.20236440e-01 4.87274950e-02 -1.90337363e-02] [ 2.18848684e-02 -4.30543869e-02 6.73420540e-02] [ 1.20236440e-01 -4.87274950e-02 1.90337363e-02] [-5.06567011e-13 9.05497899e-13 6.76764200e-13] [-1.41112816e-13 -4.52494402e-13 3.16032638e-12] [ 9.27591337e-13 4.68989220e-02 7.57687437e-02] [ 4.14897283e-13 1.13718839e-02 -8.17203770e-02] [-1.64948220e-12 -1.13718839e-02 8.17203770e-02] [-3.36453966e-12 -4.68989220e-02 -7.57687436e-02] [-1.20805019e-02 2.95005726e-02 -5.11712596e-02] [-1.20805019e-02 -2.95005726e-02 5.11712596e-02] [ 1.20805019e-02 2.95005726e-02 -5.11712596e-02] [ 1.20805019e-02 -2.95005726e-02 5.11712596e-02] [-7.57833706e-02 -4.53517040e-02 7.15280970e-02] [ 7.57833706e-02 -4.53517040e-02 7.15280970e-02] [-7.57833706e-02 4.53517040e-02 -7.15280970e-02] [ 7.57833706e-02 4.53517040e-02 -7.15280970e-02] [-3.44216235e-12 4.68989211e-02 7.57687445e-02] [-2.52310369e-12 1.13718848e-02 -8.17203761e-02] [-1.27246737e-13 -1.13718848e-02 8.17203761e-02] [ 1.09475276e-12 -4.68989211e-02 -7.57687445e-02] [-1.20805006e-02 2.95005727e-02 -5.11712608e-02] [-1.20805006e-02 -2.95005727e-02 5.11712608e-02] [ 1.20805006e-02 2.95005727e-02 -5.11712608e-02] [ 1.20805006e-02 -2.95005727e-02 5.11712608e-02] [-7.57833715e-02 -4.53517031e-02 7.15280970e-02] [ 7.57833715e-02 -4.53517032e-02 7.15280970e-02] [-7.57833715e-02 4.53517031e-02 -7.15280970e-02] [ 7.57833715e-02 4.53517032e-02 -7.15280970e-02]] Final stress: [-3.12485613e-03 -1.28995746e-03 -4.29765662e-03 1.52466262e-03 -1.18504387e-15 9.56380474e-16] Minimization converged after 62 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.40929797e-04 -6.76063852e-03 1.61329283e-14] [ 3.40929797e-04 6.76063852e-03 9.13158438e-15] [-9.57013452e-03 1.36426856e-02 1.04282902e-14] [ 9.57013452e-03 -1.36426856e-02 -3.69149156e-15] [ 1.44957830e-14 -2.37015269e-14 -2.14608806e-03] [ 1.62647673e-14 -8.60422844e-16 2.14608806e-03] [-3.40929797e-04 -6.76063852e-03 -1.44150923e-14] [ 3.40929797e-04 6.76063852e-03 -4.24645959e-16] [-9.57013452e-03 1.36426856e-02 -9.36015042e-15] [ 9.57013452e-03 -1.36426856e-02 -1.10009176e-14] [-1.71338638e-14 1.33947232e-14 -2.14608806e-03] [-2.26303351e-14 9.70157656e-15 2.14608806e-03] [ 6.42699978e-03 -1.50749616e-03 1.02218894e-02] [-6.42699978e-03 1.50749616e-03 1.02218894e-02] [-2.76553428e-03 -3.90989937e-03 2.50992072e-03] [ 2.76553428e-03 3.90989937e-03 2.50992072e-03] [ 6.42699978e-03 -1.50749616e-03 -1.02218894e-02] [-6.42699978e-03 1.50749616e-03 -1.02218894e-02] [ 2.76553428e-03 3.90989937e-03 -2.50992072e-03] [-2.76553428e-03 -3.90989937e-03 -2.50992072e-03] [ 6.42699978e-03 -1.50749616e-03 1.02218894e-02] [-6.42699978e-03 1.50749616e-03 1.02218894e-02] [-2.76553428e-03 -3.90989937e-03 2.50992072e-03] [ 2.76553428e-03 3.90989937e-03 2.50992072e-03] [ 6.42699978e-03 -1.50749616e-03 -1.02218894e-02] [-6.42699978e-03 1.50749616e-03 -1.02218894e-02] [ 2.76553428e-03 3.90989937e-03 -2.50992072e-03] [-2.76553428e-03 -3.90989937e-03 -2.50992072e-03] [ 5.68434189e-14 -9.91429161e-14 3.73312492e-14] [-6.48704181e-14 7.20825208e-15 7.21498950e-14] [ 1.01551266e-02 4.38700785e-03 -2.55401913e-03] [-1.01551266e-02 -4.38700785e-03 -2.55401913e-03] [ 1.01551266e-02 4.38700785e-03 2.55401913e-03] [-1.01551266e-02 -4.38700785e-03 2.55401913e-03] [ 6.97151575e-03 7.35333972e-03 7.10092286e-03] [ 6.97151575e-03 7.35333972e-03 -7.10092286e-03] [-6.97151575e-03 -7.35333972e-03 7.10092286e-03] [-6.97151575e-03 -7.35333972e-03 -7.10092286e-03] [ 9.20120190e-03 1.48835606e-02 -5.99520433e-15] [ 1.39663451e-02 -5.87693069e-03 3.89237254e-14] [-1.39663451e-02 5.87693069e-03 -2.43156190e-14] [-9.20120190e-03 -1.48835606e-02 2.79967022e-14] [ 1.01551266e-02 4.38700785e-03 -2.55401913e-03] [-1.01551266e-02 -4.38700785e-03 -2.55401913e-03] [ 1.01551266e-02 4.38700785e-03 2.55401913e-03] [-1.01551266e-02 -4.38700785e-03 2.55401913e-03] [ 6.97151575e-03 7.35333972e-03 7.10092286e-03] [ 6.97151575e-03 7.35333972e-03 -7.10092286e-03] [-6.97151575e-03 -7.35333972e-03 7.10092286e-03] [-6.97151575e-03 -7.35333972e-03 -7.10092286e-03] [ 9.20120190e-03 1.48835606e-02 6.53285062e-14] [ 1.39663451e-02 -5.87693069e-03 3.81404540e-14] [-1.39663451e-02 5.87693069e-03 -3.55651389e-15] [-9.20120190e-03 -1.48835606e-02 -4.43152459e-14]] Final stress: [ 1.41139622e-03 7.88666424e-05 1.39604230e-03 4.96826027e-18 -1.15926073e-17 1.71587777e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.40929797e-04 6.76063852e-03 4.93919142e-15] [ 3.40929797e-04 -6.76063852e-03 -5.30131494e-15] [ 9.57013453e-03 1.36426856e-02 1.59017764e-14] [-9.57013453e-03 -1.36426856e-02 8.04911693e-15] [-1.13264433e-14 -1.35911248e-14 -2.14608806e-03] [ 8.16013923e-15 5.27355937e-16 2.14608806e-03] [-3.40929797e-04 6.76063852e-03 -1.32137770e-14] [ 3.40929797e-04 -6.76063852e-03 8.14147642e-15] [ 9.57013453e-03 1.36426856e-02 -1.66261419e-14] [-9.57013453e-03 -1.36426856e-02 -1.05324871e-14] [ 1.59681296e-15 7.56537980e-15 -2.14608806e-03] [-1.47915534e-14 6.64024025e-15 2.14608806e-03] [ 2.76553428e-03 -3.90989937e-03 -2.50992072e-03] [-2.76553428e-03 3.90989937e-03 -2.50992072e-03] [-6.42699978e-03 -1.50749615e-03 -1.02218894e-02] [ 6.42699978e-03 1.50749615e-03 -1.02218894e-02] [ 2.76553428e-03 -3.90989937e-03 2.50992072e-03] [-2.76553428e-03 3.90989937e-03 2.50992072e-03] [ 6.42699978e-03 1.50749615e-03 1.02218894e-02] [-6.42699978e-03 -1.50749615e-03 1.02218894e-02] [ 2.76553428e-03 -3.90989937e-03 -2.50992072e-03] [-2.76553428e-03 3.90989937e-03 -2.50992072e-03] [-6.42699978e-03 -1.50749615e-03 -1.02218894e-02] [ 6.42699978e-03 1.50749615e-03 -1.02218894e-02] [ 2.76553428e-03 -3.90989937e-03 2.50992072e-03] [-2.76553428e-03 3.90989937e-03 2.50992072e-03] [ 6.42699978e-03 1.50749615e-03 1.02218894e-02] [-6.42699978e-03 -1.50749615e-03 1.02218894e-02] [ 7.89091015e-14 -1.13797860e-14 5.70377079e-14] [-3.42538498e-14 1.22539579e-15 2.97736956e-14] [-1.01551266e-02 4.38700785e-03 -2.55401913e-03] [ 1.01551266e-02 -4.38700785e-03 -2.55401913e-03] [-1.01551266e-02 4.38700785e-03 2.55401913e-03] [ 1.01551266e-02 -4.38700785e-03 2.55401913e-03] [ 6.97151576e-03 -7.35333972e-03 7.10092286e-03] [ 6.97151576e-03 -7.35333972e-03 -7.10092286e-03] [-6.97151576e-03 7.35333972e-03 7.10092286e-03] [-6.97151576e-03 7.35333972e-03 -7.10092286e-03] [-1.39663451e-02 -5.87693069e-03 -1.22124533e-15] [-9.20120190e-03 1.48835606e-02 4.68132477e-14] [ 9.20120190e-03 -1.48835606e-02 1.33400235e-15] [ 1.39663451e-02 5.87693069e-03 1.08645731e-14] [-1.01551266e-02 4.38700785e-03 -2.55401913e-03] [ 1.01551266e-02 -4.38700785e-03 -2.55401913e-03] [-1.01551266e-02 4.38700785e-03 2.55401913e-03] [ 1.01551266e-02 -4.38700785e-03 2.55401913e-03] [ 6.97151576e-03 -7.35333972e-03 7.10092286e-03] [ 6.97151576e-03 -7.35333972e-03 -7.10092286e-03] [-6.97151576e-03 7.35333972e-03 7.10092286e-03] [-6.97151576e-03 7.35333972e-03 -7.10092286e-03] [-1.39663451e-02 -5.87693069e-03 6.61859807e-14] [-9.20120190e-03 1.48835606e-02 4.26778635e-14] [ 9.20120190e-03 -1.48835606e-02 7.04995957e-14] [ 1.39663451e-02 5.87693069e-03 -1.42663659e-14]] Final stress: [ 1.41139622e-03 7.88666424e-05 1.39604230e-03 -4.96826027e-18 -9.93652054e-18 -1.71587777e-03] Minimization converged after 64 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-9.68025154e-02 2.30555671e-02 5.07957391e-14] [ 9.68025154e-02 -2.30555671e-02 9.53959134e-13] [-1.17317499e-01 5.31722849e-04 4.41286981e-13] [ 1.17317499e-01 -5.31722845e-04 8.03440647e-13] [ 1.69254801e-13 -5.14636077e-14 -6.37290608e-02] [-9.35890254e-13 -6.37379038e-13 6.37290608e-02] [-9.68025154e-02 2.30555671e-02 3.15463264e-13] [ 9.68025154e-02 -2.30555671e-02 -8.80744179e-13] [-1.17317499e-01 5.31722845e-04 -2.34554944e-13] [ 1.17317499e-01 -5.31722849e-04 -1.03204387e-12] [ 2.36873021e-13 1.59592507e-13 -6.37290608e-02] [ 9.61079523e-13 8.57423140e-13 6.37290608e-02] [ 5.53429232e-02 3.61124693e-02 1.46912117e-02] [-5.53429232e-02 -3.61124693e-02 1.46912117e-02] [-1.34698309e-02 -3.02509636e-02 9.65239504e-02] [ 1.34698309e-02 3.02509636e-02 9.65239504e-02] [ 5.53429232e-02 3.61124693e-02 -1.46912117e-02] [-5.53429232e-02 -3.61124693e-02 -1.46912117e-02] [ 1.34698309e-02 3.02509636e-02 -9.65239504e-02] [-1.34698309e-02 -3.02509636e-02 -9.65239504e-02] [ 5.53429232e-02 3.61124693e-02 1.46912117e-02] [-5.53429232e-02 -3.61124693e-02 1.46912117e-02] [-1.34698309e-02 -3.02509636e-02 9.65239504e-02] [ 1.34698309e-02 3.02509636e-02 9.65239504e-02] [ 5.53429232e-02 3.61124693e-02 -1.46912117e-02] [-5.53429232e-02 -3.61124693e-02 -1.46912117e-02] [ 1.34698309e-02 3.02509636e-02 -9.65239504e-02] [-1.34698309e-02 -3.02509636e-02 -9.65239504e-02] [-8.50958193e-13 -2.15674700e-12 1.51795243e-12] [ 9.27145513e-13 2.31263896e-12 -9.11981430e-13] [-4.97646513e-02 -2.93885347e-02 -5.78201394e-02] [ 4.97646513e-02 2.93885347e-02 -5.78201394e-02] [-4.97646513e-02 -2.93885347e-02 5.78201394e-02] [ 4.97646513e-02 2.93885347e-02 5.78201394e-02] [-4.17603188e-02 -3.17020308e-02 -9.43530091e-03] [-4.17603188e-02 -3.17020308e-02 9.43530091e-03] [ 4.17603188e-02 3.17020308e-02 -9.43530090e-03] [ 4.17603188e-02 3.17020308e-02 9.43530090e-03] [-5.11727258e-02 -1.11595811e-02 -4.19220214e-13] [-6.38394076e-02 3.81621867e-02 -2.82346542e-12] [ 6.38394076e-02 -3.81621867e-02 -2.36025609e-12] [ 5.11727258e-02 1.11595811e-02 -4.47257932e-12] [-4.97646513e-02 -2.93885349e-02 -5.78201392e-02] [ 4.97646513e-02 2.93885349e-02 -5.78201392e-02] [-4.97646513e-02 -2.93885349e-02 5.78201392e-02] [ 4.97646513e-02 2.93885349e-02 5.78201392e-02] [-4.17603185e-02 -3.17020308e-02 -9.43530121e-03] [-4.17603185e-02 -3.17020308e-02 9.43530121e-03] [ 4.17603185e-02 3.17020308e-02 -9.43530122e-03] [ 4.17603185e-02 3.17020308e-02 9.43530123e-03] [-5.11727260e-02 -1.11595809e-02 1.32768329e-12] [-6.38394074e-02 3.81621869e-02 3.31129324e-12] [ 6.38394074e-02 -3.81621869e-02 2.50520243e-12] [ 5.11727260e-02 1.11595809e-02 4.56059539e-12]] Final stress: [-3.87424131e-03 -1.76178875e-03 -3.15434624e-03 8.21185329e-16 5.74162100e-16 -1.54628968e-03] Minimization converged after 23 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.14608806e-03 -4.92965044e-15 -3.65289396e-15] [ 2.14608806e-03 2.05391260e-15 -1.51822999e-14] [-4.95567129e-15 -3.40929797e-04 -6.76063852e-03] [ 1.39888101e-14 3.40929797e-04 6.76063852e-03] [ 2.06518830e-15 -9.57013452e-03 1.36426856e-02] [-2.58126853e-15 9.57013452e-03 -1.36426856e-02] [-2.14608806e-03 1.01680817e-14 5.07567553e-16] [ 2.14608806e-03 1.30841518e-15 -2.87254283e-15] [-5.67991834e-15 -3.40929797e-04 -6.76063852e-03] [ 4.41703965e-15 3.40929797e-04 6.76063852e-03] [-1.22241627e-14 -9.57013452e-03 1.36426856e-02] [-7.80191883e-15 9.57013452e-03 -1.36426856e-02] [ 1.02218894e-02 6.42699978e-03 -1.50749616e-03] [ 2.50992072e-03 -2.76553428e-03 -3.90989937e-03] [ 2.50992072e-03 2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 -6.42699978e-03 1.50749616e-03] [-2.50992072e-03 2.76553428e-03 3.90989937e-03] [-1.02218894e-02 -6.42699978e-03 1.50749616e-03] [-2.50992072e-03 -2.76553428e-03 -3.90989937e-03] [-1.02218894e-02 6.42699978e-03 -1.50749616e-03] [ 1.02218894e-02 6.42699978e-03 -1.50749616e-03] [ 2.50992072e-03 -2.76553428e-03 -3.90989937e-03] [ 2.50992072e-03 2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 -6.42699978e-03 1.50749616e-03] [-2.50992072e-03 2.76553428e-03 3.90989937e-03] [-1.02218894e-02 -6.42699978e-03 1.50749616e-03] [-2.50992072e-03 -2.76553428e-03 -3.90989937e-03] [-1.02218894e-02 6.42699978e-03 -1.50749616e-03] [ 4.96824804e-14 -1.22540866e-13 -2.98372438e-14] [-1.29680988e-13 -8.78839711e-14 3.37959121e-14] [-1.17683641e-14 9.20120190e-03 1.48835606e-02] [ 2.65430039e-14 1.39663451e-02 -5.87693069e-03] [ 4.19698998e-14 -1.39663451e-02 5.87693069e-03] [ 2.46989929e-14 -9.20120190e-03 -1.48835606e-02] [-2.55401913e-03 1.01551266e-02 4.38700785e-03] [-2.55401913e-03 -1.01551266e-02 -4.38700785e-03] [ 2.55401913e-03 1.01551266e-02 4.38700785e-03] [ 2.55401913e-03 -1.01551266e-02 -4.38700785e-03] [ 7.10092286e-03 6.97151576e-03 7.35333972e-03] [-7.10092286e-03 6.97151576e-03 7.35333972e-03] [ 7.10092286e-03 -6.97151576e-03 -7.35333972e-03] [-7.10092286e-03 -6.97151576e-03 -7.35333972e-03] [-1.52443162e-14 9.20120190e-03 1.48835606e-02] [-1.19496427e-14 1.39663451e-02 -5.87693069e-03] [ 3.22766987e-14 -1.39663451e-02 5.87693069e-03] [-2.13219199e-14 -9.20120190e-03 -1.48835606e-02] [-2.55401913e-03 1.01551266e-02 4.38700785e-03] [-2.55401913e-03 -1.01551266e-02 -4.38700785e-03] [ 2.55401913e-03 1.01551266e-02 4.38700785e-03] [ 2.55401913e-03 -1.01551266e-02 -4.38700785e-03] [ 7.10092286e-03 6.97151575e-03 7.35333972e-03] [-7.10092286e-03 6.97151575e-03 7.35333972e-03] [ 7.10092286e-03 -6.97151575e-03 -7.35333972e-03] [-7.10092286e-03 -6.97151575e-03 -7.35333972e-03]] Final stress: [ 1.39604230e-03 1.41139622e-03 7.88666424e-05 1.71587777e-03 1.32486941e-17 -2.31852146e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.14608806e-03 -1.06420948e-14 6.04247555e-15] [ 2.14608806e-03 4.27435864e-15 -1.12965193e-14] [ 4.33464029e-15 -3.40929795e-04 6.76063852e-03] [-2.05391260e-15 3.40929796e-04 -6.76063852e-03] [-1.28499641e-14 9.57013453e-03 1.36426856e-02] [-6.66133815e-15 -9.57013453e-03 -1.36426856e-02] [-2.14608806e-03 1.39319979e-14 -5.62389897e-15] [ 2.14608806e-03 1.53011284e-14 5.33488625e-15] [-1.17614252e-15 -3.40929795e-04 6.76063852e-03] [-9.00885269e-15 3.40929795e-04 -6.76063852e-03] [ 6.95840954e-15 9.57013453e-03 1.36426856e-02] [-6.20163643e-15 -9.57013453e-03 -1.36426856e-02] [-2.50992072e-03 2.76553428e-03 -3.90989937e-03] [-1.02218894e-02 -6.42699979e-03 -1.50749615e-03] [-1.02218894e-02 6.42699979e-03 1.50749615e-03] [-2.50992072e-03 -2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 6.42699979e-03 1.50749615e-03] [ 2.50992072e-03 -2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 -6.42699979e-03 -1.50749615e-03] [ 2.50992072e-03 2.76553428e-03 -3.90989937e-03] [-2.50992072e-03 2.76553428e-03 -3.90989937e-03] [-1.02218894e-02 -6.42699979e-03 -1.50749615e-03] [-1.02218894e-02 6.42699979e-03 1.50749615e-03] [-2.50992072e-03 -2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 6.42699979e-03 1.50749615e-03] [ 2.50992072e-03 -2.76553428e-03 3.90989937e-03] [ 1.02218894e-02 -6.42699979e-03 -1.50749615e-03] [ 2.50992072e-03 2.76553428e-03 -3.90989937e-03] [-1.97064587e-15 -8.60145288e-14 6.25055563e-14] [ 6.85215773e-17 -3.07437343e-14 -1.14785030e-14] [ 2.96429548e-14 -1.39663451e-02 -5.87693069e-03] [ 4.15761175e-14 -9.20120190e-03 1.48835606e-02] [ 3.76088050e-14 9.20120190e-03 -1.48835606e-02] [ 2.01852424e-14 1.39663451e-02 5.87693069e-03] [-2.55401913e-03 -1.01551266e-02 4.38700785e-03] [-2.55401913e-03 1.01551266e-02 -4.38700785e-03] [ 2.55401913e-03 -1.01551266e-02 4.38700785e-03] [ 2.55401913e-03 1.01551266e-02 -4.38700785e-03] [ 7.10092287e-03 6.97151576e-03 -7.35333972e-03] [-7.10092287e-03 6.97151576e-03 -7.35333972e-03] [ 7.10092287e-03 -6.97151576e-03 7.35333972e-03] [-7.10092287e-03 -6.97151576e-03 7.35333972e-03] [ 2.45571792e-14 -1.39663451e-02 -5.87693069e-03] [-4.24495508e-14 -9.20120190e-03 1.48835606e-02] [ 7.76340797e-14 9.20120190e-03 -1.48835606e-02] [ 1.93890043e-14 1.39663451e-02 5.87693069e-03] [-2.55401913e-03 -1.01551266e-02 4.38700785e-03] [-2.55401913e-03 1.01551266e-02 -4.38700785e-03] [ 2.55401913e-03 -1.01551266e-02 4.38700785e-03] [ 2.55401913e-03 1.01551266e-02 -4.38700785e-03] [ 7.10092287e-03 6.97151576e-03 -7.35333972e-03] [-7.10092287e-03 6.97151576e-03 -7.35333972e-03] [ 7.10092287e-03 -6.97151576e-03 7.35333972e-03] [-7.10092287e-03 -6.97151576e-03 7.35333972e-03]] Final stress: [ 1.39604230e-03 1.41139622e-03 7.88666423e-05 -1.71587777e-03 -0.00000000e+00 -1.65608676e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 29 steps. Final forces: [[-1.49976039e-01 1.36714121e-12 3.38240720e-13] [ 1.49976039e-01 1.43235424e-12 -9.25259869e-13] [-1.53990752e-13 -9.98245435e-02 -3.91636890e-02] [ 1.89126492e-13 9.98245435e-02 3.91636890e-02] [ 1.47609138e-13 1.62878382e-01 6.94013064e-04] [ 1.26740285e-12 -1.62878382e-01 -6.94013063e-04] [-1.49976039e-01 8.88690163e-14 -9.52868698e-13] [ 1.49976039e-01 7.02044054e-13 3.34240339e-13] [-4.46515221e-13 -9.98245435e-02 -3.91636891e-02] [-1.44987282e-12 9.98245435e-02 3.91636891e-02] [ 1.47561390e-12 1.62878382e-01 6.94013070e-04] [ 2.52489002e-14 -1.62878382e-01 -6.94013070e-04] [-1.28708915e-01 1.93140272e-02 -5.57272718e-02] [-2.54843597e-02 -7.20086794e-02 4.64370679e-02] [-2.54843597e-02 7.20086794e-02 -4.64370679e-02] [-1.28708915e-01 -1.93140272e-02 5.57272718e-02] [ 2.54843597e-02 7.20086794e-02 -4.64370679e-02] [ 1.28708915e-01 -1.93140272e-02 5.57272718e-02] [ 2.54843597e-02 -7.20086794e-02 4.64370679e-02] [ 1.28708915e-01 1.93140272e-02 -5.57272718e-02] [-1.28708915e-01 1.93140272e-02 -5.57272718e-02] [-2.54843597e-02 -7.20086794e-02 4.64370679e-02] [-2.54843597e-02 7.20086794e-02 -4.64370679e-02] [-1.28708915e-01 -1.93140272e-02 5.57272718e-02] [ 2.54843597e-02 7.20086794e-02 -4.64370679e-02] [ 1.28708915e-01 -1.93140272e-02 5.57272718e-02] [ 2.54843597e-02 -7.20086794e-02 4.64370679e-02] [ 1.28708915e-01 1.93140272e-02 -5.57272718e-02] [ 4.89275287e-13 1.25857658e-12 -7.00162150e-13] [-9.77437749e-13 -1.41268630e-12 -2.40084714e-13] [-2.98094882e-13 8.03671158e-02 5.09443413e-02] [-1.04900333e-12 9.50736424e-02 -1.21116368e-02] [-4.95932202e-12 -9.50736424e-02 1.21116368e-02] [-5.77384375e-12 -8.03671158e-02 -5.09443413e-02] [-8.25334145e-02 7.77784885e-02 -5.29093490e-02] [-8.25334145e-02 -7.77784885e-02 5.29093490e-02] [ 8.25334145e-02 7.77784885e-02 -5.29093490e-02] [ 8.25334145e-02 -7.77784885e-02 5.29093490e-02] [-1.19708040e-02 -5.48578111e-02 2.82822864e-02] [ 1.19708040e-02 -5.48578111e-02 2.82822864e-02] [-1.19708040e-02 5.48578111e-02 -2.82822864e-02] [ 1.19708040e-02 5.48578111e-02 -2.82822864e-02] [-4.52748082e-12 8.03671169e-02 5.09443401e-02] [-3.81581789e-12 9.50736413e-02 -1.21116378e-02] [ 7.44169483e-13 -9.50736413e-02 1.21116378e-02] [ 4.20993101e-13 -8.03671168e-02 -5.09443402e-02] [-8.25334155e-02 7.77784885e-02 -5.29093480e-02] [-8.25334155e-02 -7.77784885e-02 5.29093480e-02] [ 8.25334155e-02 7.77784885e-02 -5.29093480e-02] [ 8.25334155e-02 -7.77784885e-02 5.29093480e-02] [-1.19708024e-02 -5.48578126e-02 2.82822865e-02] [ 1.19708024e-02 -5.48578125e-02 2.82822865e-02] [-1.19708024e-02 5.48578126e-02 -2.82822865e-02] [ 1.19708025e-02 5.48578125e-02 -2.82822865e-02]] Final stress: [-3.11033769e-03 -4.39404757e-03 -1.08632157e-03 1.51556485e-03 4.97384610e-16 -2.65383063e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-8.34409389e-02 -3.79513695e-13 -4.30085221e-13] [ 8.34409389e-02 2.26207941e-13 4.41618964e-13] [-1.16353975e-13 -9.97638395e-02 2.71242992e-02] [-1.16601173e-12 9.97638395e-02 -2.71242992e-02] [-1.72899455e-13 -1.29690491e-01 7.81907288e-04] [-1.36629597e-12 1.29690491e-01 -7.81907287e-04] [-8.34409389e-02 1.03412374e-12 5.43429390e-13] [ 8.34409389e-02 9.17909954e-14 -5.65706366e-13] [-8.00106509e-14 -9.97638395e-02 2.71242992e-02] [ 8.98352979e-13 9.97638395e-02 -2.71242992e-02] [ 6.81704259e-13 -1.29690491e-01 7.81907284e-04] [ 1.92543551e-12 1.29690491e-01 -7.81907285e-04] [ 1.73436564e-02 5.98198267e-02 3.83742617e-02] [ 1.05625164e-01 -1.62277442e-02 -3.68886783e-02] [ 1.05625164e-01 1.62277442e-02 3.68886783e-02] [ 1.73436564e-02 -5.98198267e-02 -3.83742617e-02] [-1.05625164e-01 1.62277442e-02 3.68886783e-02] [-1.73436564e-02 -5.98198267e-02 -3.83742617e-02] [-1.05625164e-01 -1.62277442e-02 -3.68886783e-02] [-1.73436564e-02 5.98198267e-02 3.83742617e-02] [ 1.73436563e-02 5.98198267e-02 3.83742617e-02] [ 1.05625164e-01 -1.62277442e-02 -3.68886783e-02] [ 1.05625164e-01 1.62277442e-02 3.68886783e-02] [ 1.73436563e-02 -5.98198267e-02 -3.83742617e-02] [-1.05625164e-01 1.62277442e-02 3.68886783e-02] [-1.73436563e-02 -5.98198267e-02 -3.83742617e-02] [-1.05625164e-01 -1.62277442e-02 -3.68886783e-02] [-1.73436563e-02 5.98198267e-02 3.83742617e-02] [-1.58714708e-12 -4.06813472e-13 -2.82357471e-13] [ 1.17335221e-12 2.91556582e-13 2.25293177e-14] [ 1.29940503e-12 -6.20443172e-02 -1.11256167e-02] [ 2.69772746e-12 -6.82765594e-02 4.06959106e-02] [ 4.22326236e-12 6.82765594e-02 -4.06959106e-02] [ 6.41603784e-12 6.20443172e-02 1.11256167e-02] [-6.45993964e-02 -5.80548286e-02 -3.45993160e-02] [-6.45993964e-02 5.80548286e-02 3.45993160e-02] [ 6.45993964e-02 -5.80548286e-02 -3.45993160e-02] [ 6.45993964e-02 5.80548286e-02 3.45993160e-02] [-1.09192800e-02 -4.50817138e-02 -3.09579718e-02] [ 1.09192800e-02 -4.50817138e-02 -3.09579718e-02] [-1.09192800e-02 4.50817138e-02 3.09579718e-02] [ 1.09192800e-02 4.50817138e-02 3.09579718e-02] [-2.57379404e-12 -6.20443177e-02 -1.11256162e-02] [-4.53494360e-12 -6.82765589e-02 4.06959112e-02] [-5.89828967e-12 6.82765589e-02 -4.06959112e-02] [-7.87161829e-12 6.20443177e-02 1.11256162e-02] [-6.45993959e-02 -5.80548287e-02 -3.45993165e-02] [-6.45993959e-02 5.80548286e-02 3.45993165e-02] [ 6.45993959e-02 -5.80548287e-02 -3.45993165e-02] [ 6.45993959e-02 5.80548286e-02 3.45993165e-02] [-1.09192807e-02 -4.50817131e-02 -3.09579717e-02] [ 1.09192807e-02 -4.50817131e-02 -3.09579717e-02] [-1.09192807e-02 4.50817131e-02 3.09579717e-02] [ 1.09192807e-02 4.50817131e-02 3.09579717e-02]] Final stress: [-3.13993844e-03 -4.05572085e-03 -1.60756076e-03 -1.53750001e-03 -5.47456886e-16 5.47456886e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.40929797e-04 2.79637424e-15 -6.76063852e-03] [ 3.40929797e-04 5.66213743e-15 6.76063852e-03] [ 3.12467066e-15 -2.14608806e-03 2.00820263e-14] [-8.57647287e-15 2.14608806e-03 -3.08086889e-15] [-9.57013453e-03 -2.47466977e-14 1.36426856e-02] [ 9.57013453e-03 7.13318293e-15 -1.36426856e-02] [-3.40929797e-04 -4.90232854e-15 -6.76063852e-03] [ 3.40929797e-04 -2.62767239e-15 6.76063852e-03] [-3.12033385e-15 -2.14608806e-03 -1.36176403e-14] [ 1.57599628e-15 2.14608806e-03 -1.07579808e-14] [-9.57013453e-03 1.82023185e-14 1.36426856e-02] [ 9.57013453e-03 2.89553541e-15 -1.36426856e-02] [ 6.42699978e-03 1.02218894e-02 -1.50749616e-03] [-2.76553428e-03 2.50992072e-03 -3.90989937e-03] [-6.42699978e-03 1.02218894e-02 1.50749616e-03] [ 2.76553428e-03 2.50992072e-03 3.90989937e-03] [ 2.76553428e-03 -2.50992072e-03 3.90989937e-03] [-6.42699978e-03 -1.02218894e-02 1.50749616e-03] [ 6.42699978e-03 -1.02218894e-02 -1.50749615e-03] [-2.76553428e-03 -2.50992072e-03 -3.90989937e-03] [ 6.42699978e-03 1.02218894e-02 -1.50749616e-03] [-2.76553428e-03 2.50992072e-03 -3.90989937e-03] [-6.42699978e-03 1.02218894e-02 1.50749616e-03] [ 2.76553428e-03 2.50992072e-03 3.90989937e-03] [ 2.76553428e-03 -2.50992072e-03 3.90989937e-03] [-6.42699978e-03 -1.02218894e-02 1.50749616e-03] [ 6.42699978e-03 -1.02218894e-02 -1.50749616e-03] [-2.76553428e-03 -2.50992072e-03 -3.90989937e-03] [ 3.07531778e-14 -2.34812170e-14 -1.68753900e-14] [-1.34881255e-13 -9.06137254e-16 -2.70687556e-14] [ 1.01551266e-02 -2.55401913e-03 4.38700785e-03] [ 1.01551266e-02 2.55401913e-03 4.38700785e-03] [-1.01551266e-02 -2.55401913e-03 -4.38700785e-03] [-1.01551266e-02 2.55401913e-03 -4.38700785e-03] [ 9.20120190e-03 -6.10622664e-15 1.48835606e-02] [-1.39663451e-02 -8.36310188e-15 5.87693069e-03] [ 1.39663451e-02 9.65026670e-15 -5.87693069e-03] [-9.20120190e-03 -3.49841683e-14 -1.48835606e-02] [ 6.97151575e-03 7.10092286e-03 7.35333972e-03] [-6.97151575e-03 7.10092286e-03 -7.35333972e-03] [ 6.97151575e-03 -7.10092286e-03 7.35333972e-03] [-6.97151575e-03 -7.10092286e-03 -7.35333972e-03] [ 1.01551266e-02 -2.55401913e-03 4.38700785e-03] [ 1.01551266e-02 2.55401913e-03 4.38700785e-03] [-1.01551266e-02 -2.55401913e-03 -4.38700785e-03] [-1.01551266e-02 2.55401913e-03 -4.38700785e-03] [ 9.20120190e-03 -1.02585876e-13 1.48835606e-02] [-1.39663451e-02 -1.67674034e-14 5.87693069e-03] [ 1.39663451e-02 -6.91434757e-14 -5.87693069e-03] [-9.20120190e-03 1.82792149e-14 -1.48835606e-02] [ 6.97151575e-03 7.10092286e-03 7.35333972e-03] [-6.97151575e-03 7.10092286e-03 -7.35333972e-03] [ 6.97151575e-03 -7.10092286e-03 7.35333972e-03] [-6.97151575e-03 -7.10092286e-03 -7.35333972e-03]] Final stress: [ 1.41139622e-03 1.39604230e-03 7.88666424e-05 9.93652054e-18 1.71587777e-03 -3.31217351e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.40929796e-04 9.79077930e-15 6.76063852e-03] [ 3.40929796e-04 -1.07691633e-14 -6.76063852e-03] [-4.96261018e-15 -2.14608806e-03 -3.15416096e-15] [ 1.30728761e-14 2.14608806e-03 6.93889390e-16] [ 9.57013452e-03 -3.08780779e-16 1.36426855e-02] [-9.57013452e-03 -2.04558592e-14 -1.36426855e-02] [-3.40929796e-04 -2.43338336e-15 6.76063852e-03] [ 3.40929796e-04 8.05128533e-15 -6.76063852e-03] [ 2.69315820e-15 -2.14608806e-03 1.70028430e-14] [-9.94300128e-15 2.14608806e-03 -4.69663506e-15] [ 9.57013452e-03 -1.19969638e-15 1.36426855e-02] [-9.57013452e-03 1.53088285e-14 -1.36426855e-02] [ 2.76553428e-03 -2.50992071e-03 -3.90989937e-03] [-6.42699978e-03 -1.02218894e-02 -1.50749616e-03] [-2.76553428e-03 -2.50992071e-03 3.90989937e-03] [ 6.42699978e-03 -1.02218894e-02 1.50749616e-03] [ 6.42699978e-03 1.02218894e-02 1.50749616e-03] [-2.76553428e-03 2.50992071e-03 3.90989937e-03] [ 2.76553428e-03 2.50992071e-03 -3.90989937e-03] [-6.42699978e-03 1.02218894e-02 -1.50749616e-03] [ 2.76553428e-03 -2.50992071e-03 -3.90989937e-03] [-6.42699978e-03 -1.02218894e-02 -1.50749616e-03] [-2.76553428e-03 -2.50992071e-03 3.90989937e-03] [ 6.42699978e-03 -1.02218894e-02 1.50749616e-03] [ 6.42699978e-03 1.02218894e-02 1.50749616e-03] [-2.76553428e-03 2.50992071e-03 3.90989937e-03] [ 2.76553428e-03 2.50992071e-03 -3.90989937e-03] [-6.42699978e-03 1.02218894e-02 -1.50749616e-03] [ 8.55704396e-14 -9.08717546e-14 5.33184608e-14] [-4.08457990e-14 -4.64672371e-15 -4.42295533e-14] [-1.01551266e-02 -2.55401913e-03 4.38700785e-03] [-1.01551266e-02 2.55401913e-03 4.38700785e-03] [ 1.01551266e-02 -2.55401913e-03 -4.38700785e-03] [ 1.01551266e-02 2.55401913e-03 -4.38700785e-03] [-1.39663451e-02 -6.45039577e-14 -5.87693069e-03] [ 9.20120189e-03 1.36383960e-14 -1.48835606e-02] [-9.20120189e-03 -3.94528160e-14 1.48835606e-02] [ 1.39663451e-02 6.72552292e-15 5.87693069e-03] [ 6.97151575e-03 7.10092286e-03 -7.35333971e-03] [-6.97151575e-03 7.10092286e-03 7.35333971e-03] [ 6.97151575e-03 -7.10092286e-03 -7.35333971e-03] [-6.97151575e-03 -7.10092286e-03 7.35333971e-03] [-1.01551266e-02 -2.55401913e-03 4.38700785e-03] [-1.01551266e-02 2.55401913e-03 4.38700785e-03] [ 1.01551266e-02 -2.55401913e-03 -4.38700785e-03] [ 1.01551266e-02 2.55401913e-03 -4.38700785e-03] [-1.39663451e-02 -1.91261478e-14 -5.87693069e-03] [ 9.20120189e-03 -2.45250868e-14 -1.48835606e-02] [-9.20120189e-03 -6.24101465e-14 1.48835606e-02] [ 1.39663451e-02 -3.73681121e-14 5.87693069e-03] [ 6.97151575e-03 7.10092286e-03 -7.35333971e-03] [-6.97151575e-03 7.10092286e-03 7.35333971e-03] [ 6.97151575e-03 -7.10092286e-03 -7.35333971e-03] [-6.97151575e-03 -7.10092286e-03 7.35333971e-03]] Final stress: [ 1.41139622e-03 1.39604230e-03 7.88666426e-05 2.98095616e-17 -1.71587777e-03 -1.32486941e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 28 steps. Final forces: [[-1.00455402e-01 -2.99313525e-14 -2.91963534e-02] [ 1.00455402e-01 -2.76195733e-13 2.91963534e-02] [ 6.63955436e-13 -9.37609645e-02 1.78676518e-14] [ 6.81343870e-13 9.37609645e-02 -5.70377079e-13] [ 1.35718623e-01 1.35163148e-13 1.09419967e-03] [-1.35718623e-01 1.26010313e-13 -1.09419967e-03] [-1.00455402e-01 -2.13847603e-13 -2.91963534e-02] [ 1.00455402e-01 -4.22634360e-13 2.91963534e-02] [-6.33061312e-14 -9.37609646e-02 9.10058704e-14] [-1.35567664e-13 9.37609646e-02 9.99165005e-13] [ 1.35718623e-01 7.82674563e-13 1.09419967e-03] [-1.35718623e-01 -1.97689760e-13 -1.09419968e-03] [ 1.72888474e-02 -1.10067630e-01 -4.04541923e-02] [-6.20760163e-02 -1.85751251e-02 3.96124649e-02] [-1.72888474e-02 -1.10067630e-01 4.04541923e-02] [ 6.20760163e-02 -1.85751251e-02 -3.96124649e-02] [ 6.20760163e-02 1.85751251e-02 -3.96124649e-02] [-1.72888474e-02 1.10067630e-01 4.04541923e-02] [ 1.72888474e-02 1.10067630e-01 -4.04541923e-02] [-6.20760163e-02 1.85751251e-02 3.96124649e-02] [ 1.72888474e-02 -1.10067630e-01 -4.04541923e-02] [-6.20760163e-02 -1.85751251e-02 3.96124649e-02] [-1.72888474e-02 -1.10067630e-01 4.04541923e-02] [ 6.20760163e-02 -1.85751251e-02 -3.96124649e-02] [ 6.20760163e-02 1.85751251e-02 -3.96124649e-02] [-1.72888474e-02 1.10067630e-01 4.04541923e-02] [ 1.72888474e-02 1.10067630e-01 -4.04541923e-02] [-6.20760163e-02 1.85751251e-02 3.96124649e-02] [ 1.95812810e-12 -1.11441412e-12 -2.84380852e-12] [ 1.15394239e-12 -1.64924676e-12 2.68990377e-12] [ 6.23725711e-02 -6.80199829e-02 -3.75239408e-02] [ 6.23725711e-02 6.80199829e-02 -3.75239408e-02] [-6.23725711e-02 -6.80199829e-02 3.75239408e-02] [-6.23725711e-02 6.80199829e-02 3.75239408e-02] [ 7.05303878e-02 2.89657187e-13 4.23888338e-02] [-6.77444520e-02 -1.35934406e-12 1.10207512e-02] [ 6.77444520e-02 1.14546784e-12 -1.10207512e-02] [-7.05303878e-02 -1.91403610e-12 -4.23888338e-02] [-4.68438670e-02 -1.14913710e-02 3.05803891e-02] [ 4.68438669e-02 -1.14913710e-02 -3.05803891e-02] [-4.68438669e-02 1.14913710e-02 3.05803891e-02] [ 4.68438669e-02 1.14913710e-02 -3.05803891e-02] [ 6.23725711e-02 -6.80199838e-02 -3.75239399e-02] [ 6.23725711e-02 6.80199838e-02 -3.75239399e-02] [-6.23725711e-02 -6.80199838e-02 3.75239399e-02] [-6.23725711e-02 6.80199838e-02 3.75239399e-02] [ 7.05303887e-02 -1.63160046e-12 4.23888328e-02] [-6.77444511e-02 -4.49504258e-14 1.10207520e-02] [ 6.77444511e-02 -1.36419868e-12 -1.10207520e-02] [-7.05303887e-02 3.31337388e-13 -4.23888329e-02] [-4.68438682e-02 -1.14913697e-02 3.05803892e-02] [ 4.68438682e-02 -1.14913697e-02 -3.05803892e-02] [-4.68438682e-02 1.14913697e-02 3.05803892e-02] [ 4.68438682e-02 1.14913697e-02 -3.05803892e-02]] Final stress: [-4.13647740e-03 -3.13505859e-03 -1.51697471e-03 1.82763808e-15 1.53396449e-03 -1.69578108e-15] Minimization converged after 63 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-4.21801577e-04 -4.26572840e-14 -1.16070348e-14] [ 4.21801577e-04 4.54081217e-14 -7.02771175e-14] [-1.62508895e-14 1.09062803e-05 5.84946439e-04] [ 1.66811009e-14 -1.09062803e-05 -5.84946439e-04] [-6.18255447e-15 5.84946439e-04 1.09062803e-05] [ 4.87943019e-14 -5.84946439e-04 -1.09062803e-05] [-4.21801577e-04 -1.26240164e-14 -2.04784377e-14] [ 4.21801577e-04 1.04300249e-15 8.53133617e-15] [ 2.78843788e-14 1.09062802e-05 5.84946439e-04] [ 5.30044758e-15 -1.09062803e-05 -5.84946439e-04] [-1.72591975e-14 5.84946439e-04 1.09062803e-05] [-1.55223057e-14 -5.84946439e-04 -1.09062803e-05] [-6.04892114e-04 9.96122211e-04 9.96122211e-04] [ 3.26013940e-04 -5.45943580e-04 5.45943580e-04] [ 3.26013940e-04 5.45943580e-04 -5.45943580e-04] [-6.04892114e-04 -9.96122211e-04 -9.96122211e-04] [-3.26013940e-04 5.45943580e-04 -5.45943580e-04] [ 6.04892114e-04 -9.96122211e-04 -9.96122211e-04] [-3.26013940e-04 -5.45943580e-04 5.45943580e-04] [ 6.04892114e-04 9.96122211e-04 9.96122211e-04] [-6.04892114e-04 9.96122211e-04 9.96122211e-04] [ 3.26013940e-04 -5.45943580e-04 5.45943580e-04] [ 3.26013940e-04 5.45943580e-04 -5.45943580e-04] [-6.04892114e-04 -9.96122211e-04 -9.96122211e-04] [-3.26013940e-04 5.45943580e-04 -5.45943580e-04] [ 6.04892114e-04 -9.96122211e-04 -9.96122211e-04] [-3.26013940e-04 -5.45943580e-04 5.45943580e-04] [ 6.04892114e-04 9.96122211e-04 9.96122211e-04] [-1.87322380e-13 8.00193245e-14 4.53248550e-14] [ 1.10295020e-13 2.02643795e-13 5.81907299e-14] [ 4.05231404e-13 2.78127052e-04 2.78127049e-04] [ 3.34598668e-13 -8.70152172e-04 8.70152169e-04] [ 2.30020863e-13 8.70152172e-04 -8.70152169e-04] [ 1.25694594e-13 -2.78127051e-04 -2.78127049e-04] [-3.44115589e-04 1.02885228e-04 -2.98285153e-04] [-3.44115589e-04 -1.02885228e-04 2.98285153e-04] [ 3.44115590e-04 1.02885228e-04 -2.98285152e-04] [ 3.44115590e-04 -1.02885228e-04 2.98285152e-04] [-3.44115586e-04 -2.98285155e-04 1.02885228e-04] [ 3.44115587e-04 -2.98285155e-04 1.02885228e-04] [-3.44115587e-04 2.98285155e-04 -1.02885228e-04] [ 3.44115587e-04 2.98285155e-04 -1.02885228e-04] [-1.16092466e-13 2.78127049e-04 2.78127052e-04] [-3.01409505e-13 -8.70152169e-04 8.70152172e-04] [-1.30877514e-13 8.70152170e-04 -8.70152172e-04] [-3.42296504e-13 -2.78127049e-04 -2.78127052e-04] [-3.44115587e-04 1.02885228e-04 -2.98285155e-04] [-3.44115587e-04 -1.02885228e-04 2.98285155e-04] [ 3.44115587e-04 1.02885228e-04 -2.98285155e-04] [ 3.44115586e-04 -1.02885228e-04 2.98285156e-04] [-3.44115589e-04 -2.98285152e-04 1.02885228e-04] [ 3.44115589e-04 -2.98285153e-04 1.02885228e-04] [-3.44115590e-04 2.98285152e-04 -1.02885228e-04] [ 3.44115589e-04 2.98285153e-04 -1.02885228e-04]] Final stress: [-1.03332074e-04 -3.87914452e-05 -3.87914452e-05 3.62157987e-03 -2.82647449e-17 -1.09733716e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-4.24119436e-04 8.85966647e-15 3.21262114e-14] [ 4.24119436e-04 2.95874436e-14 -3.28626015e-14] [-3.29857669e-15 1.24933995e-05 -5.87973452e-04] [ 3.14748227e-14 -1.24933995e-05 5.87973452e-04] [-4.68761314e-14 -5.87973452e-04 1.24933995e-05] [ 4.08284517e-14 5.87973452e-04 -1.24933994e-05] [-4.24119436e-04 -1.35503588e-14 4.37671072e-14] [ 4.24119436e-04 5.27832986e-15 4.21662149e-14] [ 2.47107022e-14 1.24933995e-05 -5.87973452e-04] [ 1.89301699e-15 -1.24933995e-05 5.87973452e-04] [-2.41300036e-15 -5.87973452e-04 1.24933995e-05] [-3.53900936e-14 5.87973452e-04 -1.24933995e-05] [-3.25560595e-04 5.48399174e-04 5.48399174e-04] [ 6.07408470e-04 -9.97404661e-04 9.97404661e-04] [ 6.07408470e-04 9.97404661e-04 -9.97404661e-04] [-3.25560595e-04 -5.48399174e-04 -5.48399174e-04] [-6.07408470e-04 9.97404661e-04 -9.97404661e-04] [ 3.25560595e-04 -5.48399174e-04 -5.48399174e-04] [-6.07408470e-04 -9.97404661e-04 9.97404661e-04] [ 3.25560595e-04 5.48399174e-04 5.48399174e-04] [-3.25560595e-04 5.48399174e-04 5.48399174e-04] [ 6.07408470e-04 -9.97404661e-04 9.97404661e-04] [ 6.07408470e-04 9.97404661e-04 -9.97404661e-04] [-3.25560595e-04 -5.48399174e-04 -5.48399174e-04] [-6.07408470e-04 9.97404661e-04 -9.97404661e-04] [ 3.25560595e-04 -5.48399174e-04 -5.48399174e-04] [-6.07408470e-04 -9.97404661e-04 9.97404661e-04] [ 3.25560595e-04 5.48399174e-04 5.48399174e-04] [-1.88682403e-13 -2.56461519e-14 -1.12909682e-13] [ 2.79900669e-13 4.38705105e-14 6.09777503e-14] [ 3.13304938e-13 8.71617182e-04 8.71617179e-04] [ 2.85705487e-13 -2.78608674e-04 2.78608672e-04] [ 1.35707418e-13 2.78608674e-04 -2.78608671e-04] [ 3.21360074e-13 -8.71617182e-04 -8.71617179e-04] [-3.45699650e-04 -1.02658620e-04 -2.98067337e-04] [-3.45699650e-04 1.02658620e-04 2.98067337e-04] [ 3.45699651e-04 -1.02658620e-04 -2.98067336e-04] [ 3.45699651e-04 1.02658620e-04 2.98067336e-04] [-3.45699648e-04 -2.98067339e-04 -1.02658620e-04] [ 3.45699648e-04 -2.98067339e-04 -1.02658620e-04] [-3.45699648e-04 2.98067339e-04 1.02658620e-04] [ 3.45699648e-04 2.98067339e-04 1.02658620e-04] [-3.47645957e-13 8.71617179e-04 8.71617181e-04] [-2.47764916e-13 -2.78608672e-04 2.78608674e-04] [-1.06568834e-13 2.78608672e-04 -2.78608674e-04] [-2.25503644e-13 -8.71617179e-04 -8.71617181e-04] [-3.45699648e-04 -1.02658620e-04 -2.98067339e-04] [-3.45699648e-04 1.02658620e-04 2.98067339e-04] [ 3.45699648e-04 -1.02658620e-04 -2.98067339e-04] [ 3.45699648e-04 1.02658620e-04 2.98067339e-04] [-3.45699651e-04 -2.98067336e-04 -1.02658620e-04] [ 3.45699650e-04 -2.98067337e-04 -1.02658620e-04] [-3.45699651e-04 2.98067336e-04 1.02658620e-04] [ 3.45699651e-04 2.98067337e-04 1.02658620e-04]] Final stress: [-1.03410576e-04 -3.87596337e-05 -3.87596337e-05 -3.62158690e-03 -3.32526411e-18 -1.33010564e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.67236014e-04 9.82161855e-04 7.56665306e-04] [-1.67236014e-04 -9.82161855e-04 -7.56665306e-04] [ 9.82161855e-04 1.67236014e-04 7.56665306e-04] [-9.82161855e-04 -1.67236014e-04 -7.56665306e-04] [-2.52497507e-04 -2.52497507e-04 6.40533573e-05] [ 2.52497507e-04 2.52497507e-04 -6.40533574e-05] [ 1.67236014e-04 9.82161855e-04 7.56665306e-04] [-1.67236014e-04 -9.82161855e-04 -7.56665306e-04] [ 9.82161855e-04 1.67236014e-04 7.56665306e-04] [-9.82161855e-04 -1.67236014e-04 -7.56665306e-04] [-2.52497507e-04 -2.52497507e-04 6.40533575e-05] [ 2.52497507e-04 2.52497507e-04 -6.40533574e-05] [ 1.88925752e-04 1.88925752e-04 -6.33118025e-04] [ 3.47693482e-05 3.47693481e-05 8.48356971e-04] [ 2.52525530e-05 -1.29994570e-04 -9.24203320e-04] [-1.29994570e-04 2.52525530e-05 -9.24203320e-04] [-3.47693482e-05 -3.47693482e-05 -8.48356971e-04] [-1.88925752e-04 -1.88925752e-04 6.33118025e-04] [-2.52525530e-05 1.29994570e-04 9.24203320e-04] [ 1.29994570e-04 -2.52525529e-05 9.24203320e-04] [ 1.88925752e-04 1.88925752e-04 -6.33118025e-04] [ 3.47693482e-05 3.47693481e-05 8.48356971e-04] [ 2.52525529e-05 -1.29994570e-04 -9.24203320e-04] [-1.29994570e-04 2.52525531e-05 -9.24203320e-04] [-3.47693482e-05 -3.47693482e-05 -8.48356971e-04] [-1.88925752e-04 -1.88925752e-04 6.33118025e-04] [-2.52525530e-05 1.29994570e-04 9.24203320e-04] [ 1.29994570e-04 -2.52525529e-05 9.24203320e-04] [ 1.68476344e-13 -7.67164110e-14 7.65776331e-14] [-1.37202315e-13 6.49861178e-14 -3.70339948e-14] [ 3.05162215e-04 1.96475445e-05 5.15058738e-04] [ 1.16828810e-04 -2.90339169e-04 -2.79454789e-04] [-1.16828811e-04 2.90339169e-04 2.79454789e-04] [-3.05162215e-04 -1.96475438e-05 -5.15058739e-04] [ 1.96475438e-05 3.05162215e-04 5.15058739e-04] [ 2.90339168e-04 -1.16828810e-04 2.79454788e-04] [-2.90339169e-04 1.16828811e-04 -2.79454789e-04] [-1.96475439e-05 -3.05162215e-04 -5.15058738e-04] [-1.38313001e-03 -1.38313001e-03 -1.36185426e-03] [-8.86167040e-04 8.86167040e-04 -1.52393723e-13] [ 8.86167040e-04 -8.86167040e-04 -1.70374131e-13] [ 1.38313001e-03 1.38313001e-03 1.36185426e-03] [ 3.05162215e-04 1.96475435e-05 5.15058739e-04] [ 1.16828811e-04 -2.90339169e-04 -2.79454789e-04] [-1.16828810e-04 2.90339169e-04 2.79454788e-04] [-3.05162215e-04 -1.96475442e-05 -5.15058738e-04] [ 1.96475441e-05 3.05162215e-04 5.15058738e-04] [ 2.90339169e-04 -1.16828811e-04 2.79454789e-04] [-2.90339169e-04 1.16828810e-04 -2.79454789e-04] [-1.96475442e-05 -3.05162215e-04 -5.15058738e-04] [-1.38313001e-03 -1.38313001e-03 -1.36185426e-03] [-8.86167040e-04 8.86167040e-04 1.53167409e-13] [ 8.86167040e-04 -8.86167040e-04 2.27726258e-13] [ 1.38313001e-03 1.38313001e-03 1.36185426e-03]] Final stress: [-4.01371167e-05 -4.01371167e-05 -1.24414647e-05 1.81266551e-03 1.81266551e-03 -1.33802629e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.64670101e-04 -9.69037949e-04 -7.51514437e-04] [-1.64670101e-04 9.69037949e-04 7.51514437e-04] [-9.69037949e-04 1.64670102e-04 7.51514437e-04] [ 9.69037949e-04 -1.64670101e-04 -7.51514437e-04] [ 2.55062169e-04 -2.55062169e-04 5.59068938e-05] [-2.55062169e-04 2.55062169e-04 -5.59068940e-05] [ 1.64670101e-04 -9.69037949e-04 -7.51514437e-04] [-1.64670101e-04 9.69037949e-04 7.51514437e-04] [-9.69037949e-04 1.64670101e-04 7.51514437e-04] [ 9.69037949e-04 -1.64670102e-04 -7.51514437e-04] [ 2.55062169e-04 -2.55062169e-04 5.59068939e-05] [-2.55062169e-04 2.55062169e-04 -5.59068939e-05] [-1.20849786e-04 -3.54474181e-05 9.21045522e-04] [ 3.54474180e-05 1.20849786e-04 9.21045522e-04] [ 6.03559491e-05 -6.03559493e-05 -8.28451281e-04] [ 2.17421590e-04 -2.17421590e-04 6.14933694e-04] [-3.54474182e-05 -1.20849786e-04 -9.21045522e-04] [ 1.20849786e-04 3.54474181e-05 -9.21045522e-04] [-6.03559491e-05 6.03559491e-05 8.28451281e-04] [-2.17421590e-04 2.17421590e-04 -6.14933694e-04] [-1.20849786e-04 -3.54474182e-05 9.21045523e-04] [ 3.54474182e-05 1.20849786e-04 9.21045522e-04] [ 6.03559491e-05 -6.03559491e-05 -8.28451281e-04] [ 2.17421590e-04 -2.17421590e-04 6.14933694e-04] [-3.54474181e-05 -1.20849786e-04 -9.21045522e-04] [ 1.20849786e-04 3.54474181e-05 -9.21045522e-04] [-6.03559493e-05 6.03559492e-05 8.28451281e-04] [-2.17421590e-04 2.17421590e-04 -6.14933694e-04] [ 4.24382751e-14 -1.97369898e-13 1.08135723e-13] [-2.73288336e-14 9.76899414e-14 -1.54747392e-13] [-2.95673829e-04 5.04918151e-05 5.35222881e-04] [-1.06699279e-04 -2.70861260e-04 -3.14918026e-04] [ 1.06699279e-04 2.70861260e-04 3.14918026e-04] [ 2.95673829e-04 -5.04918141e-05 -5.35222882e-04] [ 2.70861253e-04 1.06699279e-04 -3.14918020e-04] [ 5.04918071e-05 -2.95673829e-04 -5.35222889e-04] [-5.04918077e-05 2.95673829e-04 5.35222889e-04] [-2.70861253e-04 -1.06699278e-04 3.14918019e-04] [ 8.77684819e-04 8.77684813e-04 -4.76285678e-14] [ 1.37375816e-03 -1.37375816e-03 -1.37188360e-03] [-1.37375815e-03 1.37375816e-03 1.37188360e-03] [-8.77684820e-04 -8.77684812e-04 -4.44465645e-13] [-2.95673829e-04 5.04918070e-05 5.35222889e-04] [-1.06699279e-04 -2.70861253e-04 -3.14918020e-04] [ 1.06699279e-04 2.70861253e-04 3.14918020e-04] [ 2.95673829e-04 -5.04918079e-05 -5.35222888e-04] [ 2.70861260e-04 1.06699279e-04 -3.14918026e-04] [ 5.04918149e-05 -2.95673829e-04 -5.35222881e-04] [-5.04918143e-05 2.95673829e-04 5.35222882e-04] [-2.70861260e-04 -1.06699279e-04 3.14918027e-04] [ 8.77684813e-04 8.77684819e-04 4.08209635e-14] [ 1.37375816e-03 -1.37375815e-03 -1.37188360e-03] [-1.37375816e-03 1.37375815e-03 1.37188360e-03] [-8.77684812e-04 -8.77684820e-04 4.87687148e-13]] Final stress: [-4.01307970e-05 -4.01307970e-05 -1.24592430e-05 1.81257853e-03 -1.81257853e-03 1.34854099e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.73456404e-04 -1.01681841e-03 7.75119775e-04] [-1.73456404e-04 1.01681841e-03 -7.75119775e-04] [-1.01681841e-03 1.73456404e-04 -7.75119775e-04] [ 1.01681841e-03 -1.73456404e-04 7.75119775e-04] [-2.41905627e-04 2.41905627e-04 8.01026662e-05] [ 2.41905627e-04 -2.41905627e-04 -8.01026663e-05] [ 1.73456404e-04 -1.01681841e-03 7.75119775e-04] [-1.73456404e-04 1.01681841e-03 -7.75119775e-04] [-1.01681841e-03 1.73456404e-04 -7.75119775e-04] [ 1.01681841e-03 -1.73456404e-04 7.75119775e-04] [-2.41905627e-04 2.41905627e-04 8.01026663e-05] [ 2.41905627e-04 -2.41905627e-04 -8.01026663e-05] [ 8.86784601e-06 -1.58106220e-04 9.37978666e-04] [ 1.58106221e-04 -8.86784591e-06 9.37978665e-04] [-1.16291625e-04 1.16291625e-04 6.76141992e-04] [ 2.96806073e-05 -2.96806073e-05 -8.91071042e-04] [-1.58106221e-04 8.86784602e-06 -9.37978666e-04] [-8.86784600e-06 1.58106221e-04 -9.37978665e-04] [ 1.16291625e-04 -1.16291625e-04 -6.76141992e-04] [-2.96806073e-05 2.96806072e-05 8.91071042e-04] [ 8.86784597e-06 -1.58106221e-04 9.37978666e-04] [ 1.58106220e-04 -8.86784598e-06 9.37978666e-04] [-1.16291625e-04 1.16291625e-04 6.76141992e-04] [ 2.96806073e-05 -2.96806073e-05 -8.91071042e-04] [-1.58106221e-04 8.86784600e-06 -9.37978666e-04] [-8.86784602e-06 1.58106221e-04 -9.37978666e-04] [ 1.16291625e-04 -1.16291625e-04 -6.76141992e-04] [-2.96806073e-05 2.96806074e-05 8.91071042e-04] [ 1.31089584e-13 -1.04111164e-13 3.21964677e-14] [-1.65616219e-13 8.11625991e-14 -5.25211995e-14] [ 1.42876648e-04 3.69716056e-04 -2.05312309e-04] [ 3.32660376e-04 4.08499175e-05 4.32127930e-04] [-3.32660377e-04 -4.08499172e-05 -4.32127930e-04] [-1.42876649e-04 -3.69716056e-04 2.05312309e-04] [-4.08499159e-05 -3.32660377e-04 4.32127929e-04] [ 3.69716057e-04 1.42876648e-04 2.05312310e-04] [-3.69716058e-04 -1.42876648e-04 -2.05312311e-04] [ 4.08499153e-05 3.32660377e-04 -4.32127928e-04] [ 9.13937555e-04 9.13937557e-04 4.64073224e-14] [ 1.40988197e-03 -1.40988197e-03 1.33723106e-03] [-1.40988197e-03 1.40988197e-03 -1.33723106e-03] [-9.13937556e-04 -9.13937557e-04 2.85899776e-14] [ 1.42876649e-04 3.69716058e-04 -2.05312310e-04] [ 3.32660377e-04 4.08499155e-05 4.32127928e-04] [-3.32660376e-04 -4.08499156e-05 -4.32127928e-04] [-1.42876648e-04 -3.69716058e-04 2.05312311e-04] [-4.08499172e-05 -3.32660377e-04 4.32127930e-04] [ 3.69716056e-04 1.42876648e-04 2.05312309e-04] [-3.69716056e-04 -1.42876648e-04 -2.05312309e-04] [ 4.08499176e-05 3.32660377e-04 -4.32127930e-04] [ 9.13937557e-04 9.13937555e-04 -2.80520061e-14] [ 1.40988197e-03 -1.40988197e-03 1.33723106e-03] [-1.40988197e-03 1.40988197e-03 -1.33723106e-03] [-9.13937557e-04 -9.13937556e-04 7.05598774e-15]] Final stress: [-4.02251125e-05 -4.02251125e-05 -1.22950456e-05 -1.81290066e-03 1.81290066e-03 1.31024657e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.64709506e-04 9.69031201e-04 -7.51523821e-04] [-1.64709506e-04 -9.69031201e-04 7.51523821e-04] [ 9.69031201e-04 1.64709506e-04 -7.51523821e-04] [-9.69031201e-04 -1.64709506e-04 7.51523821e-04] [ 2.55049386e-04 2.55049386e-04 5.58526717e-05] [-2.55049386e-04 -2.55049386e-04 -5.58526717e-05] [ 1.64709506e-04 9.69031201e-04 -7.51523821e-04] [-1.64709506e-04 -9.69031201e-04 7.51523821e-04] [ 9.69031201e-04 1.64709506e-04 -7.51523821e-04] [-9.69031201e-04 -1.64709506e-04 7.51523821e-04] [ 2.55049386e-04 2.55049386e-04 5.58526717e-05] [-2.55049386e-04 -2.55049386e-04 -5.58526717e-05] [-6.03410761e-05 -6.03410761e-05 8.28501264e-04] [-2.17367949e-04 -2.17367949e-04 -6.14944161e-04] [ 1.20859457e-04 -3.54616440e-05 -9.21024818e-04] [-3.54616439e-05 1.20859457e-04 -9.21024818e-04] [ 2.17367949e-04 2.17367949e-04 6.14944161e-04] [ 6.03410760e-05 6.03410761e-05 -8.28501264e-04] [-1.20859457e-04 3.54616440e-05 9.21024818e-04] [ 3.54616440e-05 -1.20859457e-04 9.21024818e-04] [-6.03410760e-05 -6.03410760e-05 8.28501264e-04] [-2.17367949e-04 -2.17367949e-04 -6.14944161e-04] [ 1.20859457e-04 -3.54616439e-05 -9.21024818e-04] [-3.54616439e-05 1.20859457e-04 -9.21024818e-04] [ 2.17367949e-04 2.17367949e-04 6.14944161e-04] [ 6.03410761e-05 6.03410760e-05 -8.28501264e-04] [-1.20859457e-04 3.54616441e-05 9.21024818e-04] [ 3.54616440e-05 -1.20859457e-04 9.21024818e-04] [ 1.64507297e-13 -3.14470672e-14 -2.44249065e-15] [-3.85208358e-14 1.08823838e-13 5.38066363e-14] [-1.06654598e-04 2.71370883e-04 -3.15520071e-04] [-2.95574418e-04 -5.11031609e-05 5.34636526e-04] [ 2.95574418e-04 5.11031613e-05 -5.34636525e-04] [ 1.06654598e-04 -2.71370883e-04 3.15520071e-04] [ 2.71370882e-04 -1.06654598e-04 -3.15520070e-04] [ 5.11031603e-05 2.95574418e-04 -5.34636527e-04] [-5.11031603e-05 -2.95574417e-04 5.34636526e-04] [-2.71370883e-04 1.06654598e-04 3.15520071e-04] [-1.37369129e-03 -1.37369129e-03 1.37205866e-03] [-8.77685075e-04 8.77685074e-04 6.23980034e-14] [ 8.77685075e-04 -8.77685074e-04 8.85246737e-14] [ 1.37369129e-03 1.37369129e-03 -1.37205866e-03] [-1.06654598e-04 2.71370883e-04 -3.15520070e-04] [-2.95574417e-04 -5.11031605e-05 5.34636526e-04] [ 2.95574418e-04 5.11031600e-05 -5.34636527e-04] [ 1.06654598e-04 -2.71370883e-04 3.15520071e-04] [ 2.71370884e-04 -1.06654598e-04 -3.15520072e-04] [ 5.11031614e-05 2.95574418e-04 -5.34636526e-04] [-5.11031610e-05 -2.95574418e-04 5.34636526e-04] [-2.71370883e-04 1.06654598e-04 3.15520071e-04] [-1.37369129e-03 -1.37369129e-03 1.37205866e-03] [-8.77685075e-04 8.77685075e-04 5.27893701e-14] [ 8.77685074e-04 -8.77685075e-04 -1.17570016e-13] [ 1.37369129e-03 1.37369129e-03 -1.37205866e-03]] Final stress: [-4.01317754e-05 -4.01317754e-05 -1.24569460e-05 -1.81257856e-03 -1.81257856e-03 -1.34853899e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.65212496e-04 7.50859627e-04 9.65895938e-04] [-1.65212496e-04 -7.50859627e-04 -9.65895938e-04] [-2.54094520e-04 5.41155292e-05 -2.54094520e-04] [ 2.54094520e-04 -5.41155290e-05 2.54094520e-04] [ 9.65895938e-04 7.50859627e-04 1.65212496e-04] [-9.65895938e-04 -7.50859627e-04 -1.65212496e-04] [ 1.65212496e-04 7.50859627e-04 9.65895938e-04] [-1.65212496e-04 -7.50859627e-04 -9.65895938e-04] [-2.54094520e-04 5.41155289e-05 -2.54094520e-04] [ 2.54094520e-04 -5.41155291e-05 2.54094520e-04] [ 9.65895938e-04 7.50859627e-04 1.65212496e-04] [-9.65895938e-04 -7.50859627e-04 -1.65212496e-04] [ 2.15914110e-04 -6.13412334e-04 2.15914110e-04] [ 3.48015725e-05 -9.16863501e-04 -1.20353902e-04] [ 6.23157761e-05 8.26850229e-04 6.23157761e-05] [-1.20353902e-04 -9.16863501e-04 3.48015724e-05] [-3.48015725e-05 9.16863501e-04 1.20353902e-04] [-2.15914110e-04 6.13412334e-04 -2.15914110e-04] [-6.23157758e-05 -8.26850229e-04 -6.23157758e-05] [ 1.20353902e-04 9.16863501e-04 -3.48015725e-05] [ 2.15914110e-04 -6.13412334e-04 2.15914110e-04] [ 3.48015725e-05 -9.16863501e-04 -1.20353902e-04] [ 6.23157758e-05 8.26850229e-04 6.23157758e-05] [-1.20353902e-04 -9.16863501e-04 3.48015725e-05] [-3.48015723e-05 9.16863501e-04 1.20353902e-04] [-2.15914110e-04 6.13412334e-04 -2.15914110e-04] [-6.23157761e-05 -8.26850229e-04 -6.23157760e-05] [ 1.20353902e-04 9.16863501e-04 -3.48015724e-05] [ 1.82243109e-13 -1.94039229e-13 1.75109927e-13] [-1.82218390e-13 1.22382234e-13 -1.72327296e-13] [ 2.94123784e-04 5.35341317e-04 4.84359078e-05] [-1.05324199e-04 3.14270198e-04 2.72044082e-04] [ 1.05324198e-04 -3.14270198e-04 -2.72044082e-04] [-2.94123784e-04 -5.35341316e-04 -4.84359090e-05] [-1.36833030e-03 -1.36861603e-03 -1.36833029e-03] [ 8.73636470e-04 5.11403420e-13 -8.73636479e-04] [-8.73636471e-04 1.54445901e-13 8.73636478e-04] [ 1.36833030e-03 1.36861603e-03 1.36833029e-03] [ 4.84359164e-05 5.35341309e-04 2.94123784e-04] [-2.72044090e-04 -3.14270207e-04 1.05324198e-04] [ 2.72044090e-04 3.14270206e-04 -1.05324199e-04] [-4.84359177e-05 -5.35341308e-04 -2.94123785e-04] [ 2.94123785e-04 5.35341308e-04 4.84359176e-05] [-1.05324198e-04 3.14270207e-04 2.72044090e-04] [ 1.05324199e-04 -3.14270207e-04 -2.72044090e-04] [-2.94123784e-04 -5.35341309e-04 -4.84359165e-05] [-1.36833029e-03 -1.36861603e-03 -1.36833030e-03] [ 8.73636479e-04 -4.95554119e-13 -8.73636470e-04] [-8.73636478e-04 -1.62344964e-13 8.73636471e-04] [ 1.36833029e-03 1.36861603e-03 1.36833030e-03] [ 4.84359090e-05 5.35341316e-04 2.94123784e-04] [-2.72044082e-04 -3.14270198e-04 1.05324199e-04] [ 2.72044082e-04 3.14270199e-04 -1.05324198e-04] [-4.84359078e-05 -5.35341317e-04 -2.94123784e-04]] Final stress: [-4.01081568e-05 -1.24818889e-05 -4.01081568e-05 1.81258074e-03 -1.35024181e-05 1.81258074e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.64570062e-04 -7.51899363e-04 -9.68699281e-04] [-1.64570062e-04 7.51899363e-04 9.68699281e-04] [ 2.54728141e-04 5.50060084e-05 -2.54728142e-04] [-2.54728142e-04 -5.50060083e-05 2.54728141e-04] [-9.68699281e-04 7.51899363e-04 1.64570062e-04] [ 9.68699281e-04 -7.51899363e-04 -1.64570062e-04] [ 1.64570062e-04 -7.51899363e-04 -9.68699280e-04] [-1.64570062e-04 7.51899363e-04 9.68699281e-04] [ 2.54728141e-04 5.50060083e-05 -2.54728142e-04] [-2.54728141e-04 -5.50060084e-05 2.54728141e-04] [-9.68699281e-04 7.51899363e-04 1.64570062e-04] [ 9.68699281e-04 -7.51899363e-04 -1.64570062e-04] [-1.21251918e-04 9.21549478e-04 -3.46076839e-05] [ 6.12791297e-05 -8.26756627e-04 -6.12791297e-05] [ 3.46076840e-05 9.21549477e-04 1.21251918e-04] [ 2.18204501e-04 6.13831049e-04 -2.18204501e-04] [-6.12791297e-05 8.26756627e-04 6.12791296e-05] [ 1.21251918e-04 -9.21549477e-04 3.46076841e-05] [-3.46076839e-05 -9.21549477e-04 -1.21251918e-04] [-2.18204501e-04 -6.13831049e-04 2.18204501e-04] [-1.21251918e-04 9.21549477e-04 -3.46076840e-05] [ 6.12791296e-05 -8.26756627e-04 -6.12791297e-05] [ 3.46076839e-05 9.21549477e-04 1.21251918e-04] [ 2.18204501e-04 6.13831049e-04 -2.18204501e-04] [-6.12791295e-05 8.26756627e-04 6.12791296e-05] [ 1.21251918e-04 -9.21549477e-04 3.46076840e-05] [-3.46076839e-05 -9.21549477e-04 -1.21251918e-04] [-2.18204501e-04 -6.13831049e-04 2.18204501e-04] [ 6.31994457e-14 -7.99083022e-14 5.44286838e-14] [-1.33622280e-13 7.09647862e-14 -4.92821417e-14] [-2.96217744e-04 5.31654995e-04 5.36998944e-05] [ 1.06676377e-04 3.18093325e-04 2.74275148e-04] [-1.06676378e-04 -3.18093325e-04 -2.74275148e-04] [ 2.96217743e-04 -5.31654994e-04 -5.36998949e-05] [ 8.78118164e-04 -2.22044605e-14 8.78118170e-04] [-1.37368803e-03 1.37144751e-03 1.37368802e-03] [ 1.37368803e-03 -1.37144751e-03 -1.37368802e-03] [-8.78118164e-04 1.91711230e-13 -8.78118170e-04] [ 2.74275154e-04 -3.18093331e-04 1.06676377e-04] [-5.36999010e-05 5.31654988e-04 2.96217743e-04] [ 5.36999010e-05 -5.31654988e-04 -2.96217744e-04] [-2.74275154e-04 3.18093332e-04 -1.06676378e-04] [-2.96217743e-04 5.31654988e-04 5.36999014e-05] [ 1.06676378e-04 3.18093332e-04 2.74275154e-04] [-1.06676377e-04 -3.18093331e-04 -2.74275154e-04] [ 2.96217744e-04 -5.31654988e-04 -5.36999007e-05] [ 8.78118170e-04 4.45609117e-14 8.78118164e-04] [-1.37368802e-03 1.37144751e-03 1.37368803e-03] [ 1.37368802e-03 -1.37144751e-03 -1.37368803e-03] [-8.78118170e-04 -2.45017982e-13 -8.78118164e-04] [ 2.74275148e-04 -3.18093326e-04 1.06676378e-04] [-5.36998945e-05 5.31654994e-04 2.96217744e-04] [ 5.36998948e-05 -5.31654994e-04 -2.96217743e-04] [-2.74275148e-04 3.18093325e-04 -1.06676377e-04]] Final stress: [-4.01395480e-05 -1.24473032e-05 -4.01395480e-05 1.81257628e-03 1.34878455e-05 -1.81257628e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.65242984e-04 7.49378608e-04 -9.70120005e-04] [-1.65242984e-04 -7.49378608e-04 9.70120005e-04] [-2.57013818e-04 5.89773315e-05 2.57013818e-04] [ 2.57013818e-04 -5.89773312e-05 -2.57013818e-04] [-9.70120005e-04 -7.49378608e-04 1.65242984e-04] [ 9.70120005e-04 7.49378608e-04 -1.65242984e-04] [ 1.65242984e-04 7.49378608e-04 -9.70120005e-04] [-1.65242984e-04 -7.49378608e-04 9.70120005e-04] [-2.57013818e-04 5.89773313e-05 2.57013818e-04] [ 2.57013818e-04 -5.89773315e-05 -2.57013818e-04] [-9.70120005e-04 -7.49378608e-04 1.65242984e-04] [ 9.70120005e-04 7.49378608e-04 -1.65242984e-04] [-3.87336177e-05 9.18978741e-04 -1.19454153e-04] [-2.14579469e-04 6.18594356e-04 2.14579468e-04] [ 1.19454153e-04 9.18978741e-04 3.87336178e-05] [-5.71232874e-05 -8.34945470e-04 5.71232874e-05] [ 2.14579468e-04 -6.18594356e-04 -2.14579469e-04] [ 3.87336178e-05 -9.18978741e-04 1.19454153e-04] [-1.19454153e-04 -9.18978741e-04 -3.87336176e-05] [ 5.71232876e-05 8.34945470e-04 -5.71232876e-05] [-3.87336177e-05 9.18978741e-04 -1.19454153e-04] [-2.14579468e-04 6.18594356e-04 2.14579469e-04] [ 1.19454153e-04 9.18978741e-04 3.87336177e-05] [-5.71232875e-05 -8.34945470e-04 5.71232875e-05] [ 2.14579468e-04 -6.18594356e-04 -2.14579469e-04] [ 3.87336177e-05 -9.18978741e-04 1.19454153e-04] [-1.19454153e-04 -9.18978741e-04 -3.87336178e-05] [ 5.71232875e-05 8.34945470e-04 -5.71232873e-05] [ 1.64313008e-13 -1.65506497e-13 6.63080701e-14] [-7.76895909e-14 2.34704744e-13 -4.13400931e-15] [ 1.07688928e-04 -3.07420778e-04 2.61181842e-04] [-2.94841857e-04 -5.45012911e-04 4.27875557e-05] [ 2.94841856e-04 5.45012911e-04 -4.27875552e-05] [-1.07688929e-04 3.07420779e-04 -2.61181843e-04] [ 8.76052279e-04 2.07278639e-13 8.76052275e-04] [-1.37359806e-03 -1.37150890e-03 1.37359806e-03] [ 1.37359806e-03 1.37150890e-03 -1.37359806e-03] [-8.76052279e-04 4.71392023e-13 -8.76052275e-04] [ 4.27875506e-05 5.45012916e-04 -2.94841857e-04] [-2.61181839e-04 -3.07420775e-04 -1.07688929e-04] [ 2.61181839e-04 3.07420775e-04 1.07688928e-04] [-4.27875518e-05 -5.45012915e-04 2.94841856e-04] [ 1.07688929e-04 -3.07420775e-04 2.61181839e-04] [-2.94841856e-04 -5.45012915e-04 4.27875508e-05] [ 2.94841857e-04 5.45012915e-04 -4.27875514e-05] [-1.07688928e-04 3.07420774e-04 -2.61181838e-04] [ 8.76052275e-04 -2.27322573e-13 8.76052279e-04] [-1.37359806e-03 -1.37150890e-03 1.37359806e-03] [ 1.37359806e-03 1.37150890e-03 -1.37359806e-03] [-8.76052275e-04 -3.87110049e-13 -8.76052279e-04] [ 4.27875561e-05 5.45012910e-04 -2.94841856e-04] [-2.61181843e-04 -3.07420779e-04 -1.07688928e-04] [ 2.61181843e-04 3.07420779e-04 1.07688929e-04] [-4.27875551e-05 -5.45012912e-04 2.94841857e-04]] Final stress: [-4.01053742e-05 -1.24896704e-05 -4.01053742e-05 -1.81257954e-03 1.34776816e-05 1.81257954e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.65775459e-04 -7.51258329e-04 9.73481419e-04] [-1.65775460e-04 7.51258329e-04 -9.73481419e-04] [ 2.55875932e-04 6.06285391e-05 2.55875932e-04] [-2.55875932e-04 -6.06285391e-05 -2.55875932e-04] [ 9.73481419e-04 -7.51258329e-04 1.65775460e-04] [-9.73481419e-04 7.51258329e-04 -1.65775460e-04] [ 1.65775460e-04 -7.51258329e-04 9.73481419e-04] [-1.65775460e-04 7.51258329e-04 -9.73481419e-04] [ 2.55875932e-04 6.06285391e-05 2.55875932e-04] [-2.55875932e-04 -6.06285391e-05 -2.55875932e-04] [ 9.73481419e-04 -7.51258329e-04 1.65775460e-04] [-9.73481419e-04 7.51258329e-04 -1.65775460e-04] [-5.08191454e-05 8.38965686e-04 -5.08191454e-05] [ 1.22225729e-04 -9.20284540e-04 -3.52437676e-05] [-2.07435635e-04 -6.22805988e-04 -2.07435635e-04] [-3.52437676e-05 -9.20284540e-04 1.22225729e-04] [-1.22225729e-04 9.20284540e-04 3.52437677e-05] [ 5.08191455e-05 -8.38965686e-04 5.08191455e-05] [ 2.07435635e-04 6.22805988e-04 2.07435635e-04] [ 3.52437677e-05 9.20284540e-04 -1.22225729e-04] [-5.08191454e-05 8.38965686e-04 -5.08191454e-05] [ 1.22225729e-04 -9.20284540e-04 -3.52437675e-05] [-2.07435635e-04 -6.22805988e-04 -2.07435635e-04] [-3.52437676e-05 -9.20284540e-04 1.22225729e-04] [-1.22225729e-04 9.20284541e-04 3.52437676e-05] [ 5.08191454e-05 -8.38965686e-04 5.08191454e-05] [ 2.07435635e-04 6.22805988e-04 2.07435635e-04] [ 3.52437677e-05 9.20284540e-04 -1.22225729e-04] [ 1.06137321e-13 -6.37545572e-14 1.04333209e-13] [-7.16748709e-14 -8.73414297e-15 9.74971713e-15] [-1.10231839e-04 -2.98456838e-04 2.67811097e-04] [ 2.97619421e-04 -5.38279824e-04 3.51171365e-05] [-2.97619421e-04 5.38279824e-04 -3.51171366e-05] [ 1.10231838e-04 2.98456838e-04 -2.67811097e-04] [-1.37626047e-03 1.36879446e-03 -1.37626048e-03] [ 8.78689796e-04 3.48405332e-13 -8.78689787e-04] [-8.78689797e-04 -2.51906135e-13 8.78689786e-04] [ 1.37626047e-03 -1.36879446e-03 1.37626048e-03] [ 2.67811087e-04 -2.98456828e-04 -1.10231838e-04] [-3.51171266e-05 5.38279834e-04 -2.97619421e-04] [ 3.51171265e-05 -5.38279834e-04 2.97619421e-04] [-2.67811088e-04 2.98456828e-04 1.10231838e-04] [-1.10231838e-04 -2.98456828e-04 2.67811088e-04] [ 2.97619421e-04 -5.38279834e-04 3.51171266e-05] [-2.97619421e-04 5.38279834e-04 -3.51171265e-05] [ 1.10231838e-04 2.98456828e-04 -2.67811087e-04] [-1.37626048e-03 1.36879446e-03 -1.37626047e-03] [ 8.78689787e-04 -3.04483001e-13 -8.78689796e-04] [-8.78689786e-04 2.02303018e-13 8.78689797e-04] [ 1.37626048e-03 -1.36879446e-03 1.37626047e-03] [ 2.67811097e-04 -2.98456838e-04 -1.10231838e-04] [-3.51171366e-05 5.38279824e-04 -2.97619421e-04] [ 3.51171368e-05 -5.38279824e-04 2.97619421e-04] [-2.67811097e-04 2.98456837e-04 1.10231839e-04]] Final stress: [-4.01108946e-05 -1.24816706e-05 -4.01108946e-05 -1.81260341e-03 -1.34505940e-05 -1.81260341e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.04471066e-05 -2.21125201e-14 5.84073541e-04] [-1.04471065e-05 3.08364445e-14 -5.84073541e-04] [-5.56932972e-14 -4.21124815e-04 -8.92688701e-15] [-6.18394225e-14 4.21124815e-04 1.72917236e-14] [ 5.84073541e-04 6.31352609e-15 1.04471066e-05] [-5.84073541e-04 -3.68871600e-14 -1.04471065e-05] [ 1.04471066e-05 1.40850873e-14 5.84073541e-04] [-1.04471067e-05 -7.19433194e-15 -5.84073541e-04] [-1.31361935e-15 -4.21124815e-04 -4.60257036e-15] [ 6.32697020e-15 4.21124814e-04 -2.72576422e-14] [ 5.84073541e-04 -5.39803929e-14 1.04471064e-05] [-5.84073541e-04 2.17089577e-15 -1.04471066e-05] [ 9.95741548e-04 -6.04170296e-04 9.95741548e-04] [-5.45231160e-04 3.26139050e-04 5.45231160e-04] [-9.95741548e-04 -6.04170296e-04 -9.95741548e-04] [ 5.45231160e-04 3.26139050e-04 -5.45231160e-04] [ 5.45231160e-04 -3.26139050e-04 -5.45231160e-04] [-9.95741548e-04 6.04170296e-04 -9.95741548e-04] [ 9.95741548e-04 6.04170296e-04 9.95741548e-04] [-5.45231160e-04 -3.26139050e-04 5.45231160e-04] [ 9.95741548e-04 -6.04170296e-04 9.95741548e-04] [-5.45231160e-04 3.26139050e-04 5.45231160e-04] [-9.95741548e-04 -6.04170296e-04 -9.95741548e-04] [ 5.45231160e-04 3.26139050e-04 -5.45231160e-04] [ 5.45231160e-04 -3.26139050e-04 -5.45231160e-04] [-9.95741548e-04 6.04170296e-04 -9.95741548e-04] [ 9.95741548e-04 6.04170296e-04 9.95741548e-04] [-5.45231160e-04 -3.26139050e-04 5.45231160e-04] [ 3.43336470e-14 6.28386232e-14 -9.04831765e-15] [ 1.15261533e-13 2.56853523e-13 1.73126589e-13] [ 1.02949562e-04 -3.43662655e-04 -2.98342018e-04] [ 1.02949562e-04 3.43662655e-04 -2.98342018e-04] [-1.02949562e-04 -3.43662655e-04 2.98342018e-04] [-1.02949562e-04 3.43662655e-04 2.98342018e-04] [ 2.77992844e-04 5.70654635e-14 2.77992844e-04] [ 8.69718882e-04 9.53473411e-14 -8.69718882e-04] [-8.69718882e-04 7.68586583e-14 8.69718882e-04] [-2.77992844e-04 4.08995754e-14 -2.77992844e-04] [-2.98342018e-04 -3.43662655e-04 1.02949562e-04] [ 2.98342018e-04 -3.43662655e-04 -1.02949562e-04] [-2.98342018e-04 3.43662655e-04 1.02949562e-04] [ 2.98342018e-04 3.43662655e-04 -1.02949562e-04] [ 1.02949562e-04 -3.43662655e-04 -2.98342018e-04] [ 1.02949562e-04 3.43662655e-04 -2.98342018e-04] [-1.02949562e-04 -3.43662655e-04 2.98342018e-04] [-1.02949562e-04 3.43662655e-04 2.98342018e-04] [ 2.77992844e-04 5.24782913e-14 2.77992844e-04] [ 8.69718882e-04 -3.11276612e-14 -8.69718882e-04] [-8.69718882e-04 1.97438420e-13 8.69718882e-04] [-2.77992844e-04 3.68806548e-14 -2.77992843e-04] [-2.98342018e-04 -3.43662655e-04 1.02949562e-04] [ 2.98342018e-04 -3.43662655e-04 -1.02949562e-04] [-2.98342018e-04 3.43662655e-04 1.02949562e-04] [ 2.98342018e-04 3.43662655e-04 -1.02949562e-04]] Final stress: [-3.88006757e-05 -1.03309152e-04 -3.88006757e-05 -1.16384244e-17 3.62157779e-03 -3.82405372e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.17143530e-05 -5.46541978e-14 -5.76270129e-04] [-1.17143529e-05 -2.76445533e-14 5.76270129e-04] [ 3.56043320e-14 -4.23653093e-04 2.32071307e-14] [ 3.83304499e-14 4.23653092e-04 3.45556916e-14] [-5.76270129e-04 -1.34571174e-15 1.17143530e-05] [ 5.76270129e-04 -3.41671136e-14 -1.17143529e-05] [ 1.17143529e-05 -5.16266717e-14 -5.76270129e-04] [-1.17143530e-05 3.80793487e-14 5.76270129e-04] [-6.40026226e-15 -4.23653093e-04 3.09366926e-16] [ 5.49968057e-14 4.23653093e-04 1.85189795e-14] [-5.76270129e-04 -2.90791696e-14 1.17143530e-05] [ 5.76270129e-04 -3.16454678e-14 -1.17143529e-05] [ 5.44926604e-04 -3.24678920e-04 5.44926604e-04] [-9.98839201e-04 6.07513878e-04 9.98839201e-04] [-5.44926604e-04 -3.24678920e-04 -5.44926604e-04] [ 9.98839201e-04 6.07513878e-04 -9.98839201e-04] [ 9.98839201e-04 -6.07513878e-04 -9.98839201e-04] [-5.44926604e-04 3.24678920e-04 -5.44926604e-04] [ 5.44926604e-04 3.24678920e-04 5.44926604e-04] [-9.98839201e-04 -6.07513878e-04 9.98839201e-04] [ 5.44926604e-04 -3.24678920e-04 5.44926604e-04] [-9.98839201e-04 6.07513878e-04 9.98839201e-04] [-5.44926604e-04 -3.24678920e-04 -5.44926604e-04] [ 9.98839201e-04 6.07513878e-04 -9.98839201e-04] [ 9.98839201e-04 -6.07513878e-04 -9.98839201e-04] [-5.44926604e-04 3.24678920e-04 -5.44926604e-04] [ 5.44926604e-04 3.24678920e-04 5.44926604e-04] [-9.98839201e-04 -6.07513878e-04 9.98839201e-04] [-1.55431223e-14 9.17876886e-14 -1.88460358e-14] [ 2.00013617e-14 3.45747744e-14 -4.27199712e-14] [-1.01814279e-04 -3.45514375e-04 -2.98353863e-04] [-1.01814279e-04 3.45514374e-04 -2.98353863e-04] [ 1.01814279e-04 -3.45514374e-04 2.98353863e-04] [ 1.01814279e-04 3.45514374e-04 2.98353863e-04] [ 8.60881668e-04 2.50910404e-14 8.60881666e-04] [ 2.87865969e-04 -8.14227158e-14 -2.87865967e-04] [-2.87865968e-04 -6.15549278e-14 2.87865967e-04] [-8.60881667e-04 -2.22221108e-14 -8.60881666e-04] [-2.98353864e-04 -3.45514373e-04 -1.01814279e-04] [ 2.98353864e-04 -3.45514373e-04 1.01814279e-04] [-2.98353864e-04 3.45514373e-04 -1.01814279e-04] [ 2.98353864e-04 3.45514373e-04 1.01814279e-04] [-1.01814279e-04 -3.45514373e-04 -2.98353864e-04] [-1.01814279e-04 3.45514373e-04 -2.98353864e-04] [ 1.01814279e-04 -3.45514373e-04 2.98353864e-04] [ 1.01814279e-04 3.45514373e-04 2.98353864e-04] [ 8.60881666e-04 -1.58157411e-14 8.60881667e-04] [ 2.87865967e-04 -5.88092942e-15 -2.87865968e-04] [-2.87865967e-04 8.24687540e-14 2.87865968e-04] [-8.60881666e-04 1.50864564e-14 -8.60881667e-04] [-2.98353863e-04 -3.45514374e-04 -1.01814279e-04] [ 2.98353863e-04 -3.45514375e-04 1.01814279e-04] [-2.98353863e-04 3.45514375e-04 -1.01814279e-04] [ 2.98353862e-04 3.45514375e-04 1.01814279e-04]] Final stress: [-3.87827683e-05 -1.03377896e-04 -3.87827683e-05 -2.66021129e-17 -3.62146884e-03 -2.52720072e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.11844424e-04 -2.27633871e-04 -2.27633871e-04] [-1.11844424e-04 2.27633871e-04 2.27633871e-04] [ 8.03490763e-04 1.83315104e-04 1.07742769e-03] [-8.03490763e-04 -1.83315104e-04 -1.07742769e-03] [ 8.03490763e-04 1.07742769e-03 1.83315104e-04] [-8.03490763e-04 -1.07742769e-03 -1.83315104e-04] [ 1.11844424e-04 -2.27633871e-04 -2.27633871e-04] [-1.11844424e-04 2.27633871e-04 2.27633871e-04] [ 8.03490763e-04 1.83315104e-04 1.07742769e-03] [-8.03490763e-04 -1.83315104e-04 -1.07742769e-03] [ 8.03490763e-04 1.07742769e-03 1.83315104e-04] [-8.03490763e-04 -1.07742769e-03 -1.83315104e-04] [-7.51461154e-04 -3.05615969e-06 -3.05615973e-06] [-9.62319538e-04 -6.00252890e-05 -2.02635302e-04] [-9.62319538e-04 -2.02635302e-04 -6.00252890e-05] [ 9.69107182e-04 -1.40000205e-04 -1.40000205e-04] [ 9.62319538e-04 6.00252890e-05 2.02635302e-04] [ 7.51461154e-04 3.05615973e-06 3.05615976e-06] [ 9.62319538e-04 2.02635302e-04 6.00252891e-05] [-9.69107182e-04 1.40000205e-04 1.40000205e-04] [-7.51461154e-04 -3.05615977e-06 -3.05615976e-06] [-9.62319538e-04 -6.00252890e-05 -2.02635302e-04] [-9.62319538e-04 -2.02635302e-04 -6.00252891e-05] [ 9.69107182e-04 -1.40000205e-04 -1.40000205e-04] [ 9.62319538e-04 6.00252890e-05 2.02635302e-04] [ 7.51461154e-04 3.05615969e-06 3.05615970e-06] [ 9.62319538e-04 2.02635302e-04 6.00252889e-05] [-9.69107182e-04 1.40000205e-04 1.40000205e-04] [ 7.89091015e-14 -1.67921232e-13 7.18314297e-14] [-2.18258571e-14 4.86056338e-14 -1.02113561e-13] [-1.29721342e-03 -1.45899994e-03 -1.45899994e-03] [-2.00273825e-13 -9.61271264e-04 9.61271266e-04] [-4.68340644e-14 9.61271264e-04 -9.61271265e-04] [ 1.29721342e-03 1.45899994e-03 1.45899994e-03] [ 3.11667179e-04 3.79549662e-04 -1.49681077e-04] [-7.30886400e-05 1.88684341e-04 -4.83517010e-04] [ 7.30886397e-05 -1.88684341e-04 4.83517009e-04] [-3.11667179e-04 -3.79549661e-04 1.49681077e-04] [ 3.11667177e-04 -1.49681075e-04 3.79549661e-04] [ 7.30886414e-05 4.83517011e-04 -1.88684341e-04] [-7.30886410e-05 -4.83517011e-04 1.88684341e-04] [-3.11667178e-04 1.49681076e-04 -3.79549661e-04] [-1.29721342e-03 -1.45899994e-03 -1.45899994e-03] [ 2.00423012e-13 -9.61271266e-04 9.61271264e-04] [ 3.91687550e-14 9.61271265e-04 -9.61271264e-04] [ 1.29721342e-03 1.45899994e-03 1.45899994e-03] [ 3.11667177e-04 3.79549661e-04 -1.49681075e-04] [-7.30886411e-05 1.88684341e-04 -4.83517011e-04] [ 7.30886416e-05 -1.88684341e-04 4.83517011e-04] [-3.11667177e-04 -3.79549662e-04 1.49681075e-04] [ 3.11667179e-04 -1.49681077e-04 3.79549661e-04] [ 7.30886397e-05 4.83517009e-04 -1.88684341e-04] [-7.30886399e-05 -4.83517010e-04 1.88684341e-04] [-3.11667178e-04 1.49681077e-04 -3.79549661e-04]] Final stress: [-1.20827213e-05 -4.03546064e-05 -4.03546064e-05 -1.26253998e-05 1.81328171e-03 1.81328171e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.22011786e-05 2.53295725e-04 -2.53295725e-04] [-5.22011785e-05 -2.53295725e-04 2.53295725e-04] [-7.47510815e-04 1.66880359e-04 -9.58953424e-04] [ 7.47510815e-04 -1.66880359e-04 9.58953424e-04] [ 7.47510815e-04 -9.58953424e-04 1.66880359e-04] [-7.47510815e-04 9.58953424e-04 -1.66880359e-04] [ 5.22011785e-05 2.53295725e-04 -2.53295725e-04] [-5.22011786e-05 -2.53295725e-04 2.53295725e-04] [-7.47510815e-04 1.66880359e-04 -9.58953424e-04] [ 7.47510815e-04 -1.66880359e-04 9.58953424e-04] [ 7.47510815e-04 -9.58953424e-04 1.66880359e-04] [-7.47510815e-04 9.58953424e-04 -1.66880359e-04] [ 9.04971878e-04 -1.18019050e-04 -3.57128458e-05] [-8.27733687e-04 6.47545683e-05 -6.47545684e-05] [ 6.12390422e-04 2.10194967e-04 -2.10194967e-04] [ 9.04971878e-04 3.57128458e-05 1.18019050e-04] [ 8.27733686e-04 -6.47545685e-05 6.47545684e-05] [-9.04971879e-04 1.18019050e-04 3.57128458e-05] [-6.12390422e-04 -2.10194967e-04 2.10194967e-04] [-9.04971878e-04 -3.57128458e-05 -1.18019050e-04] [ 9.04971878e-04 -1.18019050e-04 -3.57128458e-05] [-8.27733686e-04 6.47545684e-05 -6.47545684e-05] [ 6.12390422e-04 2.10194967e-04 -2.10194967e-04] [ 9.04971878e-04 3.57128458e-05 1.18019050e-04] [ 8.27733687e-04 -6.47545685e-05 6.47545683e-05] [-9.04971878e-04 1.18019050e-04 3.57128459e-05] [-6.12390422e-04 -2.10194967e-04 2.10194967e-04] [-9.04971878e-04 -3.57128458e-05 -1.18019050e-04] [-1.00752739e-14 -1.45689016e-13 6.49202914e-14] [-4.88324658e-16 1.89104275e-13 -4.22209383e-14] [-3.91575661e-13 8.62350180e-04 8.62350191e-04] [-1.35954345e-03 1.35495548e-03 -1.35495547e-03] [ 1.35954345e-03 -1.35495548e-03 1.35495547e-03] [ 3.66626868e-13 -8.62350179e-04 -8.62350192e-04] [ 5.44861548e-04 -2.90044326e-04 3.57535573e-05] [-3.05271122e-04 -1.02885797e-04 -2.66044298e-04] [ 3.05271122e-04 1.02885798e-04 2.66044298e-04] [-5.44861548e-04 2.90044326e-04 -3.57535572e-05] [-3.05271134e-04 2.66044310e-04 1.02885798e-04] [-5.44861535e-04 3.57535700e-05 -2.90044326e-04] [ 5.44861536e-04 -3.57535694e-05 2.90044326e-04] [ 3.05271134e-04 -2.66044310e-04 -1.02885798e-04] [ 2.73176447e-13 8.62350191e-04 8.62350180e-04] [-1.35954345e-03 1.35495547e-03 -1.35495548e-03] [ 1.35954345e-03 -1.35495547e-03 1.35495548e-03] [-3.02532305e-13 -8.62350192e-04 -8.62350179e-04] [ 5.44861535e-04 -2.90044326e-04 3.57535699e-05] [-3.05271134e-04 -1.02885798e-04 -2.66044310e-04] [ 3.05271134e-04 1.02885798e-04 2.66044310e-04] [-5.44861535e-04 2.90044326e-04 -3.57535695e-05] [-3.05271122e-04 2.66044298e-04 1.02885798e-04] [-5.44861548e-04 3.57535571e-05 -2.90044326e-04] [ 5.44861548e-04 -3.57535573e-05 2.90044326e-04] [ 3.05271122e-04 -2.66044298e-04 -1.02885798e-04]] Final stress: [-1.25678652e-05 -4.00298447e-05 -4.00298447e-05 1.35387869e-05 1.81258627e-03 -1.81258627e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.73895533e-05 -2.56465373e-04 2.56465373e-04] [-5.73895534e-05 2.56465373e-04 -2.56465373e-04] [ 7.48961630e-04 1.65486654e-04 -9.67947446e-04] [-7.48961630e-04 -1.65486654e-04 9.67947446e-04] [-7.48961630e-04 -9.67947446e-04 1.65486654e-04] [ 7.48961630e-04 9.67947446e-04 -1.65486654e-04] [ 5.73895535e-05 -2.56465373e-04 2.56465373e-04] [-5.73895534e-05 2.56465373e-04 -2.56465373e-04] [ 7.48961630e-04 1.65486654e-04 -9.67947447e-04] [-7.48961630e-04 -1.65486654e-04 9.67947446e-04] [-7.48961630e-04 -9.67947446e-04 1.65486654e-04] [ 7.48961630e-04 9.67947446e-04 -1.65486654e-04] [ 9.16660056e-04 -3.77656053e-05 -1.19434983e-04] [ 6.16846036e-04 -2.14166205e-04 2.14166205e-04] [-8.32891280e-04 -5.89384284e-05 5.89384285e-05] [ 9.16660056e-04 1.19434983e-04 3.77656053e-05] [-6.16846036e-04 2.14166205e-04 -2.14166205e-04] [-9.16660056e-04 3.77656053e-05 1.19434983e-04] [ 8.32891280e-04 5.89384282e-05 -5.89384282e-05] [-9.16660056e-04 -1.19434983e-04 -3.77656054e-05] [ 9.16660056e-04 -3.77656053e-05 -1.19434983e-04] [ 6.16846036e-04 -2.14166205e-04 2.14166205e-04] [-8.32891280e-04 -5.89384283e-05 5.89384283e-05] [ 9.16660056e-04 1.19434983e-04 3.77656053e-05] [-6.16846036e-04 2.14166205e-04 -2.14166205e-04] [-9.16660056e-04 3.77656053e-05 1.19434983e-04] [ 8.32891279e-04 5.89384284e-05 -5.89384285e-05] [-9.16660056e-04 -1.19434983e-04 -3.77656053e-05] [ 2.35367281e-14 -1.73305814e-13 1.32865940e-13] [-3.09110376e-14 1.76924358e-13 -2.07616681e-13] [-3.40616424e-13 8.73801574e-04 8.73801569e-04] [ 1.36777776e-03 1.37022838e-03 -1.37022838e-03] [-1.36777777e-03 -1.37022838e-03 1.37022838e-03] [-5.35856082e-14 -8.73801573e-04 -8.73801570e-04] [-3.08465898e-04 1.07346593e-04 2.63680945e-04] [ 5.43319799e-04 2.95034254e-04 -4.29211459e-05] [-5.43319800e-04 -2.95034253e-04 4.29211449e-05] [ 3.08465899e-04 -1.07346592e-04 -2.63680944e-04] [ 5.43319803e-04 4.29211421e-05 -2.95034254e-04] [ 3.08465895e-04 2.63680941e-04 1.07346592e-04] [-3.08465895e-04 -2.63680941e-04 -1.07346592e-04] [-5.43319804e-04 -4.29211410e-05 2.95034253e-04] [ 3.64941584e-13 8.73801569e-04 8.73801574e-04] [ 1.36777777e-03 1.37022838e-03 -1.37022838e-03] [-1.36777777e-03 -1.37022838e-03 1.37022838e-03] [ 1.50594814e-13 -8.73801570e-04 -8.73801573e-04] [-3.08465895e-04 1.07346592e-04 2.63680941e-04] [ 5.43319804e-04 2.95034253e-04 -4.29211411e-05] [-5.43319803e-04 -2.95034254e-04 4.29211418e-05] [ 3.08465895e-04 -1.07346593e-04 -2.63680941e-04] [ 5.43319800e-04 4.29211449e-05 -2.95034253e-04] [ 3.08465898e-04 2.63680945e-04 1.07346593e-04] [-3.08465899e-04 -2.63680944e-04 -1.07346592e-04] [-5.43319799e-04 -4.29211459e-05 2.95034254e-04]] Final stress: [-1.24985703e-05 -4.00960799e-05 -4.00960799e-05 1.34899166e-05 -1.81257737e-03 1.81257737e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 5.88703586e-05 2.56857815e-04 2.56857816e-04] [-5.88703588e-05 -2.56857815e-04 -2.56857815e-04] [-7.49546684e-04 1.65157626e-04 9.70072482e-04] [ 7.49546683e-04 -1.65157626e-04 -9.70072483e-04] [-7.49546684e-04 9.70072482e-04 1.65157626e-04] [ 7.49546683e-04 -9.70072482e-04 -1.65157626e-04] [ 5.88703589e-05 2.56857815e-04 2.56857816e-04] [-5.88703586e-05 -2.56857815e-04 -2.56857816e-04] [-7.49546683e-04 1.65157626e-04 9.70072482e-04] [ 7.49546683e-04 -1.65157626e-04 -9.70072483e-04] [-7.49546683e-04 9.70072483e-04 1.65157626e-04] [ 7.49546683e-04 -9.70072482e-04 -1.65157626e-04] [ 8.34508921e-04 -5.73192182e-05 -5.73192182e-05] [-9.19131638e-04 1.19507003e-04 -3.85373069e-05] [-9.19131638e-04 -3.85373070e-05 1.19507003e-04] [-6.18405110e-04 -2.14807220e-04 -2.14807220e-04] [ 9.19131638e-04 -1.19507003e-04 3.85373069e-05] [-8.34508921e-04 5.73192183e-05 5.73192183e-05] [ 9.19131638e-04 3.85373069e-05 -1.19507003e-04] [ 6.18405110e-04 2.14807220e-04 2.14807220e-04] [ 8.34508921e-04 -5.73192182e-05 -5.73192183e-05] [-9.19131638e-04 1.19507003e-04 -3.85373070e-05] [-9.19131638e-04 -3.85373068e-05 1.19507003e-04] [-6.18405110e-04 -2.14807220e-04 -2.14807220e-04] [ 9.19131638e-04 -1.19507003e-04 3.85373069e-05] [-8.34508921e-04 5.73192182e-05 5.73192183e-05] [ 9.19131638e-04 3.85373069e-05 -1.19507003e-04] [ 6.18405110e-04 2.14807220e-04 2.14807220e-04] [ 1.19459997e-13 -1.31367139e-13 6.22557561e-14] [-1.15166557e-13 8.54493122e-14 -6.78556908e-15] [ 1.37159332e-03 -1.37369789e-03 -1.37369789e-03] [-4.53186100e-13 -8.76142358e-04 8.76142351e-04] [-6.46323273e-14 8.76142358e-04 -8.76142351e-04] [-1.37159332e-03 1.37369789e-03 1.37369789e-03] [-3.07010355e-04 -1.07577831e-04 2.61014096e-04] [ 5.45274078e-04 -2.94848638e-04 -4.23873036e-05] [-5.45274079e-04 2.94848638e-04 4.23873024e-05] [ 3.07010355e-04 1.07577832e-04 -2.61014096e-04] [-3.07010349e-04 2.61014090e-04 -1.07577831e-04] [-5.45274085e-04 4.23872961e-05 2.94848638e-04] [ 5.45274085e-04 -4.23872964e-05 -2.94848638e-04] [ 3.07010349e-04 -2.61014089e-04 1.07577831e-04] [ 1.37159332e-03 -1.37369789e-03 -1.37369789e-03] [ 3.92577030e-13 -8.76142351e-04 8.76142358e-04] [ 6.01888331e-14 8.76142352e-04 -8.76142358e-04] [-1.37159332e-03 1.37369789e-03 1.37369789e-03] [-3.07010349e-04 -1.07577831e-04 2.61014089e-04] [ 5.45274086e-04 -2.94848638e-04 -4.23872959e-05] [-5.45274085e-04 2.94848638e-04 4.23872966e-05] [ 3.07010349e-04 1.07577831e-04 -2.61014089e-04] [-3.07010355e-04 2.61014095e-04 -1.07577831e-04] [-5.45274078e-04 4.23873033e-05 2.94848638e-04] [ 5.45274078e-04 -4.23873029e-05 -2.94848638e-04] [ 3.07010356e-04 -2.61014096e-04 1.07577832e-04]] Final stress: [-1.24910551e-05 -4.01053943e-05 -4.01053943e-05 -1.34780966e-05 -1.81258001e-03 -1.81258001e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.25358697e-05 5.87946689e-04 -3.05059797e-14] [-1.25358696e-05 -5.87946689e-04 -3.00592884e-14] [ 5.87946689e-04 1.25358697e-05 3.14860985e-14] [-5.87946689e-04 -1.25358697e-05 -2.74780199e-15] [ 3.50483531e-14 -4.16151488e-14 -4.24110721e-04] [ 1.50157664e-14 -1.49047441e-14 4.24110721e-04] [ 1.25358695e-05 5.87946689e-04 3.50651341e-15] [-1.25358698e-05 -5.87946689e-04 5.79555290e-15] [ 5.87946689e-04 1.25358696e-05 8.09997111e-15] [-5.87946689e-04 -1.25358697e-05 2.40213933e-14] [ 1.11798591e-14 5.48892427e-14 -4.24110721e-04] [ 2.37088994e-14 1.17121719e-14 4.24110721e-04] [ 9.97334748e-04 9.97334747e-04 -6.07443237e-04] [-9.97334748e-04 -9.97334748e-04 -6.07443237e-04] [-5.48452824e-04 5.48452824e-04 3.25562135e-04] [ 5.48452824e-04 -5.48452824e-04 3.25562135e-04] [ 9.97334748e-04 9.97334748e-04 6.07443237e-04] [-9.97334748e-04 -9.97334748e-04 6.07443237e-04] [ 5.48452823e-04 -5.48452824e-04 -3.25562135e-04] [-5.48452824e-04 5.48452824e-04 -3.25562135e-04] [ 9.97334748e-04 9.97334748e-04 -6.07443237e-04] [-9.97334748e-04 -9.97334748e-04 -6.07443237e-04] [-5.48452824e-04 5.48452823e-04 3.25562135e-04] [ 5.48452824e-04 -5.48452824e-04 3.25562135e-04] [ 9.97334748e-04 9.97334748e-04 6.07443237e-04] [-9.97334748e-04 -9.97334748e-04 6.07443237e-04] [ 5.48452824e-04 -5.48452824e-04 -3.25562135e-04] [-5.48452824e-04 5.48452824e-04 -3.25562135e-04] [-4.60742555e-14 -3.83582055e-14 -1.97564187e-13] [ 1.29795480e-13 6.15308145e-14 1.04328472e-13] [ 1.02614708e-04 -2.98100898e-04 -3.45673652e-04] [-1.02614708e-04 2.98100898e-04 -3.45673653e-04] [ 1.02614708e-04 -2.98100897e-04 3.45673653e-04] [-1.02614708e-04 2.98100897e-04 3.45673653e-04] [-2.98100897e-04 1.02614708e-04 -3.45673654e-04] [-2.98100896e-04 1.02614708e-04 3.45673654e-04] [ 2.98100898e-04 -1.02614708e-04 -3.45673653e-04] [ 2.98100897e-04 -1.02614708e-04 3.45673653e-04] [ 2.78631893e-04 2.78631893e-04 1.96509475e-13] [-8.71577725e-04 8.71577726e-04 1.95954364e-13] [ 8.71577726e-04 -8.71577726e-04 1.97585004e-13] [-2.78631892e-04 -2.78631894e-04 3.46967247e-13] [ 1.02614708e-04 -2.98100897e-04 -3.45673654e-04] [-1.02614708e-04 2.98100897e-04 -3.45673654e-04] [ 1.02614708e-04 -2.98100897e-04 3.45673653e-04] [-1.02614708e-04 2.98100897e-04 3.45673653e-04] [-2.98100898e-04 1.02614708e-04 -3.45673653e-04] [-2.98100898e-04 1.02614708e-04 3.45673652e-04] [ 2.98100897e-04 -1.02614708e-04 -3.45673653e-04] [ 2.98100898e-04 -1.02614708e-04 3.45673653e-04] [ 2.78631893e-04 2.78631893e-04 -3.83457828e-13] [-8.71577726e-04 8.71577725e-04 -3.26723530e-13] [ 8.71577726e-04 -8.71577726e-04 -3.76578708e-13] [-2.78631894e-04 -2.78631892e-04 -3.02614270e-13]] Final stress: [-3.87594904e-05 -3.87594904e-05 -1.03410256e-04 4.15658014e-17 3.32526411e-18 3.62158698e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.30273013e-05 -5.81539350e-04 8.37394390e-15] [-1.30273013e-05 5.81539350e-04 2.37310172e-14] [-5.81539350e-04 1.30273013e-05 -1.62959923e-14] [ 5.81539350e-04 -1.30273014e-05 3.05588888e-14] [-1.07288310e-14 2.48880777e-14 -4.25613720e-04] [-2.59514632e-14 -4.40480985e-14 4.25613720e-04] [ 1.30273013e-05 -5.81539350e-04 -2.36669226e-14] [-1.30273014e-05 5.81539349e-04 -1.15527475e-14] [-5.81539350e-04 1.30273014e-05 -6.02916678e-15] [ 5.81539350e-04 -1.30273013e-05 -5.13430358e-14] [ 4.59042526e-14 -1.33348397e-15 -4.25613720e-04] [ 3.71131077e-14 5.18053618e-14 4.25613720e-04] [ 5.47538636e-04 5.47538636e-04 -3.24538479e-04] [-5.47538636e-04 -5.47538636e-04 -3.24538479e-04] [-9.99704918e-04 9.99704918e-04 6.09357787e-04] [ 9.99704918e-04 -9.99704918e-04 6.09357787e-04] [ 5.47538636e-04 5.47538636e-04 3.24538479e-04] [-5.47538636e-04 -5.47538636e-04 3.24538479e-04] [ 9.99704918e-04 -9.99704918e-04 -6.09357787e-04] [-9.99704918e-04 9.99704918e-04 -6.09357786e-04] [ 5.47538636e-04 5.47538636e-04 -3.24538479e-04] [-5.47538636e-04 -5.47538636e-04 -3.24538479e-04] [-9.99704918e-04 9.99704918e-04 6.09357787e-04] [ 9.99704918e-04 -9.99704918e-04 6.09357787e-04] [ 5.47538636e-04 5.47538636e-04 3.24538479e-04] [-5.47538636e-04 -5.47538636e-04 3.24538479e-04] [ 9.99704918e-04 -9.99704918e-04 -6.09357787e-04] [-9.99704918e-04 9.99704918e-04 -6.09357787e-04] [-9.59232693e-14 -1.05471187e-14 -1.92151850e-13] [ 1.90717234e-13 1.37170243e-14 9.30433396e-14] [-1.01970048e-04 -2.98021858e-04 -3.46874043e-04] [ 1.01970048e-04 2.98021858e-04 -3.46874043e-04] [-1.01970048e-04 -2.98021858e-04 3.46874043e-04] [ 1.01970048e-04 2.98021857e-04 3.46874043e-04] [-2.98021859e-04 -1.01970048e-04 -3.46874042e-04] [-2.98021858e-04 -1.01970048e-04 3.46874042e-04] [ 2.98021859e-04 1.01970048e-04 -3.46874042e-04] [ 2.98021858e-04 1.01970048e-04 3.46874042e-04] [ 8.64728407e-04 8.64728406e-04 1.91291427e-13] [-2.85951192e-04 2.85951191e-04 3.35115616e-13] [ 2.85951192e-04 -2.85951191e-04 1.52253210e-13] [-8.64728407e-04 -8.64728406e-04 1.97671814e-13] [-1.01970048e-04 -2.98021858e-04 -3.46874042e-04] [ 1.01970048e-04 2.98021858e-04 -3.46874042e-04] [-1.01970048e-04 -2.98021859e-04 3.46874042e-04] [ 1.01970048e-04 2.98021859e-04 3.46874042e-04] [-2.98021858e-04 -1.01970048e-04 -3.46874043e-04] [-2.98021858e-04 -1.01970048e-04 3.46874043e-04] [ 2.98021857e-04 1.01970048e-04 -3.46874043e-04] [ 2.98021858e-04 1.01970048e-04 3.46874043e-04] [ 8.64728406e-04 8.64728407e-04 -3.59034053e-13] [-2.85951191e-04 2.85951192e-04 -3.30303222e-13] [ 2.85951191e-04 -2.85951192e-04 -5.54868109e-14] [-8.64728406e-04 -8.64728407e-04 -1.41478843e-13]] Final stress: [-3.87526160e-05 -3.87526160e-05 -1.03448406e-04 1.16384244e-17 1.66263205e-17 -3.62150256e-03] Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.02993810e-02 1.70777455e-13 -2.60514266e-14] [ 4.02993810e-02 -1.08246745e-14 2.52575738e-15] [ 8.06485954e-14 -4.02993810e-02 -5.68260716e-14] [ 9.78939152e-14 4.02993810e-02 -1.25732758e-14] [-1.48063419e-13 -3.01260752e-14 5.70827996e-03] [-7.70217223e-14 7.49400542e-16 -5.70827996e-03] [-4.02993810e-02 7.06205927e-15 4.51872705e-15] [ 4.02993810e-02 3.03971258e-14 1.42167206e-14] [-7.17507651e-14 -4.02993810e-02 1.62135474e-14] [-2.99313525e-14 4.02993810e-02 4.33331851e-14] [-2.35653511e-14 1.63677129e-14 5.70827996e-03] [-5.58862852e-14 8.99632578e-15 -5.70827996e-03] [-1.54440307e-03 -1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 -1.54440307e-03 1.97726790e-02] [-1.54440307e-03 1.54440307e-03 1.97726790e-02] [-1.54440307e-03 -1.54440307e-03 1.97726790e-02] [ 1.54440307e-03 1.54440307e-03 1.97726790e-02] [-1.54440307e-03 1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 -1.54440307e-03 -1.97726790e-02] [-1.54440307e-03 -1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 -1.54440307e-03 1.97726790e-02] [-1.54440307e-03 1.54440307e-03 1.97726790e-02] [-1.54440307e-03 -1.54440307e-03 1.97726790e-02] [ 1.54440307e-03 1.54440307e-03 1.97726790e-02] [-1.54440307e-03 1.54440307e-03 -1.97726790e-02] [ 1.54440307e-03 -1.54440307e-03 -1.97726790e-02] [ 1.35197409e-13 5.93414207e-14 3.59545727e-13] [-1.89453054e-13 -2.76743453e-13 1.38195272e-14] [ 6.06181771e-14 -5.38323578e-03 -9.89877463e-03] [-1.08728998e-13 5.38323578e-03 -9.89877463e-03] [ 9.65373614e-14 -5.38323578e-03 9.89877463e-03] [-8.36240799e-14 5.38323578e-03 9.89877463e-03] [-5.38323578e-03 -2.93987057e-13 -9.89877463e-03] [-5.38323578e-03 -9.29829130e-14 9.89877463e-03] [ 5.38323578e-03 -1.69931777e-13 -9.89877463e-03] [ 5.38323578e-03 1.20422769e-13 9.89877463e-03] [ 1.34734722e-02 1.34734722e-02 -5.93969318e-14] [-1.34734722e-02 1.34734722e-02 -4.72764189e-14] [ 1.34734722e-02 -1.34734722e-02 -1.85665719e-13] [-1.34734722e-02 -1.34734722e-02 -1.46716864e-13] [-2.18620694e-13 -5.38323578e-03 -9.89877463e-03] [ 1.60693073e-13 5.38323578e-03 -9.89877463e-03] [ 2.62700018e-13 -5.38323578e-03 9.89877463e-03] [ 2.84636030e-13 5.38323578e-03 9.89877463e-03] [-5.38323578e-03 -1.85023574e-13 -9.89877463e-03] [-5.38323578e-03 1.80901301e-14 9.89877463e-03] [ 5.38323578e-03 -2.19548338e-13 -9.89877463e-03] [ 5.38323578e-03 -2.10560736e-14 9.89877463e-03] [ 1.34734722e-02 1.34734722e-02 6.13385697e-13] [-1.34734722e-02 1.34734722e-02 1.14267320e-13] [ 1.34734722e-02 -1.34734722e-02 3.94438822e-13] [-1.34734722e-02 -1.34734722e-02 7.95422755e-14]] Final stress: [-6.13621881e-04 -6.13621881e-04 -2.30794769e-03 -1.53702397e-16 -5.84737379e-17 9.85700153e-17] Minimization converged after 25 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.02684293e-02 -6.30884234e-14 -8.02279250e-14] [ 4.02684293e-02 1.50157664e-14 -5.39845946e-14] [ 8.07383674e-15 5.73434656e-03 7.82481718e-14] [-2.12052598e-14 -5.73434656e-03 -1.21624932e-13] [ 2.28705943e-14 1.03454138e-13 -4.02684293e-02] [-4.66293670e-15 3.39173134e-14 4.02684293e-02] [-4.02684293e-02 -1.61148872e-13 -3.47851170e-14] [ 4.02684293e-02 -1.03814960e-13 -4.79509236e-14] [ 3.09053998e-14 5.73434656e-03 2.89674384e-14] [ 3.57630592e-14 -5.73434656e-03 2.71826831e-14] [-1.55726994e-13 -1.86014854e-14 -4.02684293e-02] [-9.22872889e-14 1.29250104e-13 4.02684293e-02] [-1.54982417e-03 -1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 -1.97727764e-02 1.54982417e-03] [-1.54982417e-03 1.97727764e-02 1.54982417e-03] [-1.54982417e-03 -1.97727764e-02 1.54982417e-03] [ 1.54982417e-03 1.97727764e-02 1.54982417e-03] [-1.54982417e-03 1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 -1.97727764e-02 -1.54982417e-03] [-1.54982417e-03 -1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 -1.97727764e-02 1.54982417e-03] [-1.54982417e-03 1.97727764e-02 1.54982417e-03] [-1.54982417e-03 -1.97727764e-02 1.54982417e-03] [ 1.54982417e-03 1.97727764e-02 1.54982417e-03] [-1.54982417e-03 1.97727764e-02 -1.54982417e-03] [ 1.54982417e-03 -1.97727764e-02 -1.54982417e-03] [ 2.94819724e-13 -1.68864922e-13 2.29399832e-13] [-7.86697096e-16 -1.21161618e-13 -2.20523605e-15] [ 1.44551038e-13 -9.94600906e-03 -5.36353502e-03] [ 1.87185337e-13 9.94600906e-03 -5.36353502e-03] [-6.97115976e-14 -9.94600906e-03 5.36353502e-03] [-2.22391550e-15 9.94600906e-03 5.36353502e-03] [ 1.34620355e-02 -5.21804822e-15 1.34620355e-02] [ 1.34620355e-02 -4.69069228e-15 -1.34620355e-02] [-1.34620355e-02 -2.72616998e-13 1.34620355e-02] [-1.34620355e-02 -1.34808544e-13 -1.34620355e-02] [-5.36353502e-03 -9.94600906e-03 -1.00808251e-13] [ 5.36353502e-03 -9.94600906e-03 -1.25389282e-13] [-5.36353502e-03 9.94600906e-03 -1.39780548e-13] [ 5.36353502e-03 9.94600906e-03 4.71706008e-14] [-1.11871450e-13 -9.94600906e-03 -5.36353502e-03] [-2.18414696e-14 9.94600906e-03 -5.36353502e-03] [-4.17851517e-14 -9.94600906e-03 5.36353502e-03] [-1.38955687e-14 9.94600906e-03 5.36353502e-03] [ 1.34620355e-02 -9.40633976e-14 1.34620355e-02] [ 1.34620355e-02 3.02526233e-13 -1.34620355e-02] [-1.34620355e-02 -1.91876896e-13 1.34620355e-02] [-1.34620355e-02 5.78335123e-14 -1.34620355e-02] [-5.36353502e-03 -9.94600906e-03 2.42262751e-13] [ 5.36353502e-03 -9.94600906e-03 2.04433225e-13] [-5.36353502e-03 9.94600906e-03 2.95156620e-13] [ 5.36353502e-03 9.94600906e-03 2.59687237e-13]] Final stress: [-6.13454326e-04 -2.30744643e-03 -6.13454326e-04 9.52286589e-17 -1.33654258e-17 1.16947476e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.61025387e-02 1.15935907e-14 -2.24863531e-14] [-1.61025387e-02 -1.23789867e-14 -6.70019595e-14] [ 3.93474316e-14 3.71154013e-03 3.07781121e-04] [ 1.50990331e-14 -3.71154013e-03 -3.07781121e-04] [-7.45454046e-15 3.07781121e-04 3.71154013e-03] [ 4.44644321e-14 -3.07781121e-04 -3.71154013e-03] [ 1.61025387e-02 8.96028043e-15 -3.68348455e-14] [-1.61025387e-02 2.32062633e-15 -3.61536447e-15] [-3.48289106e-14 3.71154013e-03 3.07781121e-04] [ 6.27189273e-15 -3.71154013e-03 -3.07781121e-04] [ 1.29930788e-14 3.07781121e-04 3.71154013e-03] [ 2.19746096e-15 -3.07781121e-04 -3.71154013e-03] [ 8.32206519e-03 4.76192321e-03 4.76192321e-03] [ 1.50724832e-02 -4.75316852e-03 4.75316852e-03] [ 1.50724832e-02 4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 -4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 4.75316852e-03 -4.75316852e-03] [-8.32206519e-03 -4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 -4.75316852e-03 4.75316852e-03] [-8.32206519e-03 4.76192321e-03 4.76192321e-03] [ 8.32206519e-03 4.76192321e-03 4.76192321e-03] [ 1.50724832e-02 -4.75316852e-03 4.75316852e-03] [ 1.50724832e-02 4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 -4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 4.75316852e-03 -4.75316852e-03] [-8.32206519e-03 -4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 -4.75316852e-03 4.75316852e-03] [-8.32206519e-03 4.76192321e-03 4.76192321e-03] [ 8.82072193e-14 -7.65498775e-14 1.14575016e-13] [-2.01310323e-14 -9.42564696e-14 1.22878730e-13] [ 3.93018951e-14 1.97982680e-02 1.97982680e-02] [ 7.73686670e-15 3.05735263e-03 -3.05735263e-03] [-7.09675374e-15 -3.05735263e-03 3.05735263e-03] [ 3.58376523e-14 -1.97982680e-02 -1.97982680e-02] [-3.32686257e-03 7.91258356e-03 5.01753921e-03] [-3.32686257e-03 -7.91258356e-03 -5.01753921e-03] [ 3.32686257e-03 7.91258356e-03 5.01753921e-03] [ 3.32686257e-03 -7.91258356e-03 -5.01753921e-03] [-3.32686257e-03 5.01753921e-03 7.91258356e-03] [ 3.32686257e-03 5.01753921e-03 7.91258356e-03] [-3.32686257e-03 -5.01753921e-03 -7.91258356e-03] [ 3.32686257e-03 -5.01753921e-03 -7.91258356e-03] [ 7.32920669e-16 1.97982680e-02 1.97982680e-02] [-6.18663107e-14 3.05735263e-03 -3.05735263e-03] [ 2.86580655e-14 -3.05735263e-03 3.05735263e-03] [ 8.61754244e-14 -1.97982680e-02 -1.97982680e-02] [-3.32686257e-03 7.91258356e-03 5.01753921e-03] [-3.32686257e-03 -7.91258356e-03 -5.01753921e-03] [ 3.32686257e-03 7.91258356e-03 5.01753921e-03] [ 3.32686257e-03 -7.91258356e-03 -5.01753921e-03] [-3.32686257e-03 5.01753921e-03 7.91258356e-03] [ 3.32686257e-03 5.01753921e-03 7.91258356e-03] [-3.32686257e-03 -5.01753921e-03 -7.91258356e-03] [ 3.32686257e-03 -5.01753921e-03 -7.91258356e-03]] Final stress: [-1.79851639e-04 9.33511522e-04 9.33511522e-04 1.13263203e-03 9.95094860e-18 -2.65358629e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.61025387e-02 -4.64641346e-14 -3.31332184e-16] [-1.61025387e-02 -1.64868119e-14 8.68749517e-15] [ 1.68840636e-14 3.71154013e-03 -3.07781120e-04] [-6.80011603e-15 -3.71154013e-03 3.07781120e-04] [-7.96411548e-15 -3.07781120e-04 3.71154013e-03] [-3.12250226e-14 3.07781120e-04 -3.71154013e-03] [ 1.61025387e-02 -1.52790107e-14 -1.60837869e-14] [-1.61025387e-02 -1.60253755e-14 -2.81030887e-14] [-3.77363071e-14 3.71154013e-03 -3.07781120e-04] [-1.78199469e-14 -3.71154013e-03 3.07781120e-04] [-7.96346496e-14 -3.07781120e-04 3.71154013e-03] [ 4.54324078e-15 3.07781120e-04 -3.71154013e-03] [-1.50724832e-02 4.75316852e-03 4.75316852e-03] [-8.32206519e-03 -4.76192321e-03 4.76192321e-03] [-8.32206519e-03 4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 -4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 4.76192321e-03 -4.76192321e-03] [ 1.50724832e-02 -4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 -4.76192321e-03 4.76192321e-03] [ 1.50724832e-02 4.75316852e-03 4.75316852e-03] [-1.50724832e-02 4.75316852e-03 4.75316852e-03] [-8.32206519e-03 -4.76192321e-03 4.76192321e-03] [-8.32206519e-03 4.76192321e-03 -4.76192321e-03] [-1.50724832e-02 -4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 4.76192321e-03 -4.76192321e-03] [ 1.50724832e-02 -4.75316852e-03 -4.75316852e-03] [ 8.32206519e-03 -4.76192321e-03 4.76192321e-03] [ 1.50724832e-02 4.75316852e-03 4.75316852e-03] [ 1.84019466e-14 -6.86950496e-14 1.65034653e-13] [-1.43138106e-13 -2.85088319e-14 -1.03300313e-14] [ 1.84297022e-14 -3.05735263e-03 -3.05735263e-03] [-3.67761377e-15 -1.97982680e-02 1.97982680e-02] [ 3.03524567e-14 1.97982680e-02 -1.97982680e-02] [ 9.45493683e-14 3.05735263e-03 3.05735263e-03] [-3.32686257e-03 -7.91258357e-03 5.01753921e-03] [-3.32686257e-03 7.91258357e-03 -5.01753921e-03] [ 3.32686257e-03 -7.91258357e-03 5.01753921e-03] [ 3.32686257e-03 7.91258357e-03 -5.01753921e-03] [-3.32686257e-03 5.01753921e-03 -7.91258357e-03] [ 3.32686257e-03 5.01753921e-03 -7.91258357e-03] [-3.32686257e-03 -5.01753921e-03 7.91258357e-03] [ 3.32686257e-03 -5.01753921e-03 7.91258357e-03] [-1.43544031e-14 -3.05735263e-03 -3.05735263e-03] [-3.26995375e-15 -1.97982680e-02 1.97982680e-02] [ 1.25503340e-13 1.97982680e-02 -1.97982680e-02] [ 2.40827323e-14 3.05735263e-03 3.05735263e-03] [-3.32686257e-03 -7.91258357e-03 5.01753921e-03] [-3.32686257e-03 7.91258357e-03 -5.01753921e-03] [ 3.32686257e-03 -7.91258357e-03 5.01753921e-03] [ 3.32686257e-03 7.91258357e-03 -5.01753921e-03] [-3.32686257e-03 5.01753921e-03 -7.91258357e-03] [ 3.32686257e-03 5.01753921e-03 -7.91258357e-03] [-3.32686257e-03 -5.01753921e-03 7.91258357e-03] [ 3.32686257e-03 -5.01753921e-03 7.91258357e-03]] Final stress: [-1.79851640e-04 9.33511522e-04 9.33511522e-04 -1.13263203e-03 -1.32679315e-17 2.15603886e-17] Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.30628547e-02 4.11255231e-14 1.13024939e-02] [-3.30628547e-02 2.75335310e-14 -1.13024939e-02] [ 8.72392436e-15 1.11412957e-03 7.53646277e-14] [ 4.39648318e-14 -1.11412957e-03 5.20139487e-14] [ 1.36389916e-02 -5.33804771e-14 5.21359912e-03] [-1.36389916e-02 4.77951012e-14 -5.21359912e-03] [ 3.30628547e-02 -3.76252848e-14 1.13024939e-02] [-3.30628547e-02 -3.27442067e-14 -1.13024939e-02] [ 6.22713686e-14 1.11412957e-03 2.69568244e-14] [ 3.18156959e-14 -1.11412957e-03 2.96125302e-14] [ 1.36389916e-02 -3.34143296e-14 5.21359912e-03] [-1.36389916e-02 2.76152698e-14 -5.21359912e-03] [-6.24794260e-03 3.04207009e-02 4.66808357e-03] [-3.00328318e-03 1.60772688e-02 1.29009647e-02] [ 6.24794260e-03 3.04207009e-02 -4.66808357e-03] [ 3.00328318e-03 1.60772688e-02 -1.29009647e-02] [ 3.00328318e-03 -1.60772688e-02 -1.29009647e-02] [ 6.24794260e-03 -3.04207009e-02 -4.66808357e-03] [-6.24794260e-03 -3.04207009e-02 4.66808357e-03] [-3.00328318e-03 -1.60772688e-02 1.29009647e-02] [-6.24794260e-03 3.04207009e-02 4.66808357e-03] [-3.00328318e-03 1.60772688e-02 1.29009647e-02] [ 6.24794260e-03 3.04207009e-02 -4.66808357e-03] [ 3.00328318e-03 1.60772688e-02 -1.29009647e-02] [ 3.00328318e-03 -1.60772688e-02 -1.29009647e-02] [ 6.24794260e-03 -3.04207009e-02 -4.66808357e-03] [-6.24794260e-03 -3.04207009e-02 4.66808357e-03] [-3.00328318e-03 -1.60772688e-02 1.29009647e-02] [ 3.93324262e-13 5.92859095e-14 2.98233660e-13] [-6.30745456e-14 2.93848467e-14 -9.68207787e-16] [ 2.33211288e-02 1.62571006e-02 1.67295335e-02] [ 2.33211288e-02 -1.62571006e-02 1.67295335e-02] [-2.33211288e-02 1.62571006e-02 -1.67295335e-02] [-2.33211288e-02 -1.62571006e-02 -1.67295335e-02] [ 1.26158571e-02 -9.90318938e-14 4.23386923e-02] [-2.62966766e-02 -1.74478487e-14 3.10502330e-03] [ 2.62966766e-02 -2.37075984e-13 -3.10502330e-03] [-1.26158571e-02 -1.54204774e-13 -4.23386923e-02] [-7.47357314e-03 1.81000873e-02 2.49886166e-02] [ 7.47357314e-03 1.81000873e-02 -2.49886166e-02] [-7.47357314e-03 -1.81000873e-02 2.49886166e-02] [ 7.47357314e-03 -1.81000873e-02 -2.49886166e-02] [ 2.33211288e-02 1.62571006e-02 1.67295335e-02] [ 2.33211288e-02 -1.62571006e-02 1.67295335e-02] [-2.33211288e-02 1.62571006e-02 -1.67295335e-02] [-2.33211288e-02 -1.62571006e-02 -1.67295335e-02] [ 1.26158571e-02 3.34287412e-14 4.23386923e-02] [-2.62966766e-02 1.62187971e-14 3.10502330e-03] [ 2.62966766e-02 4.22418177e-14 -3.10502330e-03] [-1.26158571e-02 5.98475262e-14 -4.23386923e-02] [-7.47357314e-03 1.81000873e-02 2.49886166e-02] [ 7.47357314e-03 1.81000873e-02 -2.49886166e-02] [-7.47357314e-03 -1.81000873e-02 2.49886166e-02] [ 7.47357314e-03 -1.81000873e-02 -2.49886166e-02]] Final stress: [-5.29770479e-04 9.61039349e-04 1.01792124e-03 -6.46811650e-17 1.21399413e-03 -6.63396564e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.30628549e-02 2.43923805e-14 -1.13024941e-02] [-3.30628549e-02 3.46944695e-14 1.13024941e-02] [ 2.54206378e-14 1.11412948e-03 -7.27998391e-14] [-3.82471832e-14 -1.11412948e-03 -3.58324481e-14] [-1.36389918e-02 2.27292143e-15 5.21359907e-03] [ 1.36389918e-02 4.72955008e-14 -5.21359907e-03] [ 3.30628549e-02 -4.60369590e-14 -1.13024941e-02] [-3.30628549e-02 -2.22213740e-14 1.13024941e-02] [-5.00159809e-14 1.11412948e-03 3.51845543e-15] [-9.78080464e-15 -1.11412948e-03 -5.89059500e-14] [-1.36389918e-02 -4.91383016e-14 5.21359907e-03] [ 1.36389918e-02 -5.65500790e-14 -5.21359907e-03] [ 3.00328331e-03 -1.60772690e-02 1.29009649e-02] [ 6.24794265e-03 -3.04207011e-02 4.66808354e-03] [-3.00328331e-03 -1.60772690e-02 -1.29009649e-02] [-6.24794265e-03 -3.04207011e-02 -4.66808354e-03] [-6.24794265e-03 3.04207011e-02 -4.66808354e-03] [-3.00328331e-03 1.60772690e-02 -1.29009649e-02] [ 3.00328331e-03 1.60772690e-02 1.29009649e-02] [ 6.24794265e-03 3.04207011e-02 4.66808354e-03] [ 3.00328331e-03 -1.60772690e-02 1.29009649e-02] [ 6.24794265e-03 -3.04207011e-02 4.66808354e-03] [-3.00328331e-03 -1.60772690e-02 -1.29009649e-02] [-6.24794265e-03 -3.04207011e-02 -4.66808354e-03] [-6.24794265e-03 3.04207011e-02 -4.66808354e-03] [-3.00328331e-03 1.60772690e-02 -1.29009649e-02] [ 3.00328331e-03 1.60772690e-02 1.29009649e-02] [ 6.24794265e-03 3.04207011e-02 4.66808354e-03] [ 3.80251386e-15 9.99200722e-14 4.84612350e-14] [ 5.55258964e-14 -2.18684204e-14 -3.79021172e-14] [-2.33211291e-02 1.62571007e-02 1.67295337e-02] [-2.33211291e-02 -1.62571007e-02 1.67295337e-02] [ 2.33211291e-02 1.62571007e-02 -1.67295337e-02] [ 2.33211291e-02 -1.62571007e-02 -1.67295337e-02] [-2.62966767e-02 6.07291994e-14 -3.10502319e-03] [ 1.26158572e-02 7.85829735e-14 -4.23386927e-02] [-1.26158572e-02 3.21374871e-14 4.23386927e-02] [ 2.62966767e-02 -6.20458546e-14 3.10502319e-03] [-7.47357317e-03 1.81000875e-02 -2.49886169e-02] [ 7.47357317e-03 1.81000875e-02 2.49886169e-02] [-7.47357317e-03 -1.81000875e-02 -2.49886169e-02] [ 7.47357317e-03 -1.81000875e-02 2.49886169e-02] [-2.33211291e-02 1.62571007e-02 1.67295337e-02] [-2.33211291e-02 -1.62571007e-02 1.67295337e-02] [ 2.33211291e-02 1.62571007e-02 -1.67295337e-02] [ 2.33211291e-02 -1.62571007e-02 -1.67295337e-02] [-2.62966767e-02 -2.03177738e-14 -3.10502319e-03] [ 1.26158572e-02 -5.79818311e-14 -4.23386927e-02] [-1.26158572e-02 2.62772876e-13 4.23386927e-02] [ 2.62966767e-02 1.00292170e-13 3.10502319e-03] [-7.47357317e-03 1.81000875e-02 -2.49886169e-02] [ 7.47357317e-03 1.81000875e-02 2.49886169e-02] [-7.47357317e-03 -1.81000875e-02 -2.49886169e-02] [ 7.47357317e-03 -1.81000875e-02 2.49886169e-02]] Final stress: [-5.29770485e-04 9.61039349e-04 1.01792124e-03 4.47792681e-17 -1.21399413e-03 1.26045347e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 36 steps. Final forces: [[ 4.24961082e-02 1.15415394e-10 -3.70169842e-02] [-4.24961080e-02 -3.36265182e-11 3.70169841e-02] [-1.00997888e-10 -3.41282287e-03 -1.94285265e-11] [ 4.16471579e-11 3.41282285e-03 -3.47331053e-11] [-1.76854972e-02 3.70187214e-12 1.00431929e-01] [ 1.76854971e-02 2.26691721e-11 -1.00431929e-01] [ 4.24961076e-02 -9.71808281e-11 -3.70169852e-02] [-4.24961078e-02 4.59399550e-11 3.70169853e-02] [ 1.09452760e-10 -3.41282336e-03 -2.01882950e-12] [-3.05202773e-11 3.41282338e-03 2.50618498e-11] [-1.76854997e-02 -8.00486035e-12 1.00431929e-01] [ 1.76854997e-02 -2.73291107e-11 -1.00431929e-01] [-1.60282533e-03 8.27931596e-02 2.40468834e-03] [-4.34149770e-02 -3.06282589e-02 7.70411144e-02] [ 1.60282530e-03 8.27931597e-02 -2.40468841e-03] [ 4.34149770e-02 -3.06282589e-02 -7.70411144e-02] [ 4.34149771e-02 3.06282589e-02 -7.70411144e-02] [ 1.60282527e-03 -8.27931596e-02 -2.40468837e-03] [-1.60282536e-03 -8.27931596e-02 2.40468832e-03] [-4.34149770e-02 3.06282590e-02 7.70411144e-02] [-1.60282519e-03 8.27931599e-02 2.40468834e-03] [-4.34149766e-02 -3.06282597e-02 7.70411143e-02] [ 1.60282513e-03 8.27931598e-02 -2.40468821e-03] [ 4.34149767e-02 -3.06282596e-02 -7.70411143e-02] [ 4.34149766e-02 3.06282597e-02 -7.70411142e-02] [ 1.60282516e-03 -8.27931599e-02 -2.40468824e-03] [-1.60282513e-03 -8.27931599e-02 2.40468836e-03] [-4.34149767e-02 3.06282596e-02 7.70411143e-02] [-1.18364207e-10 2.75741652e-11 -5.21752919e-11] [ 1.10739781e-10 -2.63095237e-11 3.95292385e-11] [-2.87290121e-03 -1.17002955e-02 -4.56324488e-02] [-2.87290150e-03 1.17002954e-02 -4.56324491e-02] [ 2.87290186e-03 -1.17002947e-02 4.56324492e-02] [ 2.87290157e-03 1.17002946e-02 4.56324494e-02] [-1.12529335e-01 -2.22235008e-10 -4.62706980e-02] [-1.00543228e-01 -2.58496429e-10 1.15238765e-01] [ 1.00543229e-01 6.87987115e-11 -1.15238764e-01] [ 1.12529336e-01 2.79529028e-11 4.62706977e-02] [ 5.82063793e-03 -2.14260754e-02 -8.14630482e-02] [-5.82063796e-03 -2.14260754e-02 8.14630484e-02] [ 5.82063793e-03 2.14260754e-02 -8.14630482e-02] [-5.82063749e-03 2.14260749e-02 8.14630485e-02] [-2.87290100e-03 -1.17002589e-02 -4.56324841e-02] [-2.87290072e-03 1.17002591e-02 -4.56324836e-02] [ 2.87290036e-03 -1.17002590e-02 4.56324840e-02] [ 2.87290065e-03 1.17002592e-02 4.56324836e-02] [-1.12529361e-01 2.11371285e-10 -4.62706729e-02] [-1.00543252e-01 2.53362392e-10 1.15238741e-01] [ 1.00543252e-01 -7.21213289e-11 -1.15238741e-01] [ 1.12529361e-01 -3.28861235e-11 4.62706727e-02] [ 5.82066265e-03 -2.14261002e-02 -8.14630483e-02] [-5.82066269e-03 -2.14261003e-02 8.14630480e-02] [ 5.82066255e-03 2.14261001e-02 -8.14630483e-02] [-5.82066310e-03 2.14261007e-02 8.14630479e-02]] Final stress: [-5.74319237e-04 -2.46344301e-03 -4.35056343e-03 -9.00385717e-15 1.26962710e-03 -5.27815191e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 33 steps. Final forces: [[ 3.39310091e-03 -3.99628464e-12 -7.40027904e-04] [-3.39310091e-03 -2.60363953e-12 7.40027899e-04] [ 5.51931331e-13 -7.34828900e-03 -1.77187605e-12] [-1.60177427e-12 7.34828900e-03 -4.37136438e-12] [ 6.42400396e-03 -1.65322183e-12 1.27628100e-02] [-6.42400396e-03 7.78349607e-13 -1.27628100e-02] [ 3.39310095e-03 1.31330493e-12 -7.40028018e-04] [-3.39310096e-03 -4.88324658e-13 7.40028026e-04] [-1.43233515e-13 -7.34828886e-03 8.89496267e-14] [ 1.80801988e-12 7.34828886e-03 2.71653881e-12] [ 6.42400372e-03 3.34706176e-12 1.27628099e-02] [-6.42400372e-03 7.43545685e-13 -1.27628099e-02] [-3.31515983e-03 2.88584045e-03 -8.67558865e-04] [-5.50041700e-03 -8.54638995e-03 -7.09218986e-03] [ 3.31515983e-03 2.88584045e-03 8.67558858e-04] [ 5.50041701e-03 -8.54638995e-03 7.09218986e-03] [ 5.50041701e-03 8.54638994e-03 7.09218986e-03] [ 3.31515983e-03 -2.88584046e-03 8.67558857e-04] [-3.31515983e-03 -2.88584045e-03 -8.67558860e-04] [-5.50041701e-03 8.54638994e-03 -7.09218987e-03] [-3.31515978e-03 2.88584036e-03 -8.67558830e-04] [-5.50041696e-03 -8.54638989e-03 -7.09218978e-03] [ 3.31515978e-03 2.88584036e-03 8.67558840e-04] [ 5.50041696e-03 -8.54638988e-03 7.09218978e-03] [ 5.50041697e-03 8.54638988e-03 7.09218978e-03] [ 3.31515979e-03 -2.88584036e-03 8.67558838e-04] [-3.31515979e-03 -2.88584036e-03 -8.67558832e-04] [-5.50041696e-03 8.54638989e-03 -7.09218978e-03] [-2.48218113e-12 -7.68191066e-13 -3.99652533e-12] [ 8.88226992e-13 2.08694592e-12 2.83727554e-12] [-5.24693012e-03 5.42609954e-03 -1.73844144e-03] [-5.24693012e-03 -5.42609955e-03 -1.73844145e-03] [ 5.24693012e-03 5.42609961e-03 1.73844147e-03] [ 5.24693013e-03 -5.42609961e-03 1.73844147e-03] [-9.88389287e-03 1.32887035e-11 -5.12740878e-03] [-1.05901778e-02 7.77500980e-12 2.29390815e-03] [ 1.05901778e-02 9.88322531e-12 -2.29390813e-03] [ 9.88389286e-03 3.43941439e-12 5.12740879e-03] [ 9.10812199e-03 -1.91219325e-04 5.73281895e-03] [-9.10812198e-03 -1.91219318e-04 -5.73281894e-03] [ 9.10812202e-03 1.91219347e-04 5.73281896e-03] [-9.10812202e-03 1.91219347e-04 -5.73281893e-03] [-5.24692984e-03 5.42608620e-03 -1.73842817e-03] [-5.24692984e-03 -5.42608622e-03 -1.73842822e-03] [ 5.24692984e-03 5.42608617e-03 1.73842815e-03] [ 5.24692983e-03 -5.42608620e-03 1.73842821e-03] [-9.88388379e-03 -9.84334067e-12 -5.12741787e-03] [-1.05901683e-02 -4.51531640e-12 2.29391753e-03] [ 1.05901683e-02 -5.69330000e-12 -2.29391757e-03] [ 9.88388383e-03 -5.68590314e-14 5.12741784e-03] [ 9.10811267e-03 -1.91209945e-04 5.73281878e-03] [-9.10811267e-03 -1.91209954e-04 -5.73281880e-03] [ 9.10811267e-03 1.91209947e-04 5.73281877e-03] [-9.10811267e-03 1.91209949e-04 -5.73281881e-03]] Final stress: [-1.21257855e-03 -2.13337178e-03 -2.34117692e-03 -1.16662657e-17 -1.10105051e-03 3.63320845e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.30628548e-02 1.13024940e-02 3.12432372e-14] [-3.30628548e-02 -1.13024940e-02 1.89293026e-14] [ 1.36389917e-02 5.21359910e-03 3.87290026e-14] [-1.36389917e-02 -5.21359910e-03 5.42899059e-14] [ 3.94306983e-14 2.04207311e-14 1.11412954e-03] [ 2.76445533e-14 1.13242749e-14 -1.11412954e-03] [ 3.30628548e-02 1.13024940e-02 -4.15825303e-14] [-3.30628548e-02 -1.13024940e-02 -1.90882602e-14] [ 1.36389917e-02 5.21359910e-03 5.26052644e-14] [-1.36389917e-02 -5.21359910e-03 -1.26201664e-14] [-9.38862703e-14 2.96959409e-14 1.11412954e-03] [-6.44514823e-14 -1.85054430e-14 -1.11412954e-03] [-6.24794262e-03 4.66808356e-03 3.04207009e-02] [ 6.24794262e-03 -4.66808356e-03 3.04207009e-02] [-3.00328322e-03 1.29009648e-02 1.60772689e-02] [ 3.00328322e-03 -1.29009648e-02 1.60772689e-02] [-6.24794262e-03 4.66808356e-03 -3.04207009e-02] [ 6.24794262e-03 -4.66808356e-03 -3.04207009e-02] [ 3.00328322e-03 -1.29009648e-02 -1.60772689e-02] [-3.00328322e-03 1.29009648e-02 -1.60772689e-02] [-6.24794262e-03 4.66808356e-03 3.04207009e-02] [ 6.24794262e-03 -4.66808356e-03 3.04207009e-02] [-3.00328322e-03 1.29009648e-02 1.60772689e-02] [ 3.00328322e-03 -1.29009648e-02 1.60772689e-02] [-6.24794262e-03 4.66808356e-03 -3.04207009e-02] [ 6.24794262e-03 -4.66808356e-03 -3.04207009e-02] [ 3.00328322e-03 -1.29009648e-02 -1.60772689e-02] [-3.00328322e-03 1.29009648e-02 -1.60772689e-02] [ 2.93043367e-13 -8.27393709e-14 2.57543986e-13] [ 3.40834132e-14 -1.45496425e-14 -9.05742077e-14] [ 2.33211289e-02 1.67295336e-02 1.62571006e-02] [-2.33211289e-02 -1.67295336e-02 1.62571006e-02] [ 2.33211289e-02 1.67295336e-02 -1.62571006e-02] [-2.33211289e-02 -1.67295336e-02 -1.62571006e-02] [-7.47357315e-03 2.49886167e-02 1.81000873e-02] [-7.47357315e-03 2.49886167e-02 -1.81000873e-02] [ 7.47357315e-03 -2.49886167e-02 1.81000873e-02] [ 7.47357315e-03 -2.49886167e-02 -1.81000873e-02] [ 1.26158571e-02 4.23386924e-02 -9.10382880e-14] [ 2.62966766e-02 -3.10502327e-03 -6.14092110e-15] [-2.62966766e-02 3.10502327e-03 -1.57871979e-13] [-1.26158571e-02 -4.23386924e-02 6.15722751e-14] [ 2.33211289e-02 1.67295336e-02 1.62571006e-02] [-2.33211289e-02 -1.67295336e-02 1.62571006e-02] [ 2.33211289e-02 1.67295336e-02 -1.62571006e-02] [-2.33211289e-02 -1.67295336e-02 -1.62571006e-02] [-7.47357315e-03 2.49886167e-02 1.81000873e-02] [-7.47357315e-03 2.49886167e-02 -1.81000873e-02] [ 7.47357315e-03 -2.49886167e-02 1.81000873e-02] [ 7.47357315e-03 -2.49886167e-02 -1.81000873e-02] [ 1.26158571e-02 4.23386924e-02 -3.40933436e-15] [ 2.62966766e-02 -3.10502327e-03 9.48201866e-14] [-2.62966766e-02 3.10502327e-03 -2.37383279e-14] [-1.26158571e-02 -4.23386924e-02 1.88668525e-14]] Final stress: [-5.29770481e-04 1.01792124e-03 9.61039349e-04 2.22237849e-16 -3.64868110e-17 1.21399413e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 3.30628551e-02 -1.13024943e-02 1.47029958e-13] [-3.30628551e-02 1.13024943e-02 5.97299987e-14] [-1.36389920e-02 5.21359903e-03 -3.47894456e-14] [ 1.36389920e-02 -5.21359903e-03 2.67286193e-14] [-2.55876050e-14 -1.60292786e-14 1.11412940e-03] [ 1.11244347e-13 -1.34448008e-13 -1.11412940e-03] [ 3.30628551e-02 -1.13024943e-02 -1.87918580e-14] [-3.30628551e-02 1.13024943e-02 -3.85921709e-14] [-1.36389920e-02 5.21359903e-03 -2.11648271e-14] [ 1.36389920e-02 -5.21359903e-03 -6.24169925e-14] [-4.74707079e-15 -6.90524552e-14 1.11412940e-03] [-4.84985316e-14 1.05494252e-14 -1.11412940e-03] [ 3.00328340e-03 1.29009650e-02 -1.60772690e-02] [-3.00328340e-03 -1.29009650e-02 -1.60772690e-02] [ 6.24794269e-03 4.66808352e-03 -3.04207012e-02] [-6.24794269e-03 -4.66808352e-03 -3.04207012e-02] [ 3.00328340e-03 1.29009650e-02 1.60772690e-02] [-3.00328340e-03 -1.29009650e-02 1.60772690e-02] [-6.24794269e-03 -4.66808352e-03 3.04207012e-02] [ 6.24794269e-03 4.66808352e-03 3.04207012e-02] [ 3.00328340e-03 1.29009650e-02 -1.60772690e-02] [-3.00328340e-03 -1.29009650e-02 -1.60772690e-02] [ 6.24794269e-03 4.66808352e-03 -3.04207012e-02] [-6.24794269e-03 -4.66808352e-03 -3.04207012e-02] [ 3.00328340e-03 1.29009650e-02 1.60772690e-02] [-3.00328340e-03 -1.29009650e-02 1.60772690e-02] [-6.24794269e-03 -4.66808352e-03 3.04207012e-02] [ 6.24794269e-03 4.66808352e-03 3.04207012e-02] [-1.06414877e-13 -4.86582996e-13 4.00623978e-13] [ 3.25165242e-14 -2.94259612e-13 1.15124098e-13] [-2.33211293e-02 1.67295337e-02 1.62571008e-02] [ 2.33211293e-02 -1.67295337e-02 1.62571008e-02] [-2.33211293e-02 1.67295337e-02 -1.62571008e-02] [ 2.33211293e-02 -1.67295337e-02 -1.62571008e-02] [-7.47357319e-03 -2.49886171e-02 1.81000876e-02] [-7.47357319e-03 -2.49886171e-02 -1.81000876e-02] [ 7.47357319e-03 2.49886171e-02 1.81000876e-02] [ 7.47357319e-03 2.49886171e-02 -1.81000876e-02] [-2.62966768e-02 -3.10502310e-03 1.11355369e-13] [-1.26158572e-02 4.23386929e-02 3.03762224e-13] [ 1.26158572e-02 -4.23386929e-02 1.09259823e-13] [ 2.62966768e-02 3.10502310e-03 9.17148302e-14] [-2.33211293e-02 1.67295337e-02 1.62571008e-02] [ 2.33211293e-02 -1.67295337e-02 1.62571008e-02] [-2.33211293e-02 1.67295337e-02 -1.62571008e-02] [ 2.33211293e-02 -1.67295337e-02 -1.62571008e-02] [-7.47357319e-03 -2.49886171e-02 1.81000876e-02] [-7.47357319e-03 -2.49886171e-02 -1.81000876e-02] [ 7.47357319e-03 2.49886171e-02 1.81000876e-02] [ 7.47357319e-03 2.49886171e-02 -1.81000876e-02] [-2.62966768e-02 -3.10502310e-03 6.85045265e-15] [-1.26158572e-02 4.23386929e-02 2.63617660e-15] [ 1.26158572e-02 -4.23386929e-02 2.53214238e-13] [ 2.62966768e-02 3.10502310e-03 3.10688975e-13]] Final stress: [-5.29770489e-04 1.01792124e-03 9.61039349e-04 5.47302165e-17 -9.78509932e-17 -1.21399413e-03] Minimization converged after 68 steps. Minimization converged after 69 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. Minimization converged after 25 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.70894706e-03 1.16324485e-13 7.91120641e-14] [-5.70894706e-03 4.15778523e-14 7.67164110e-14] [ 3.76875180e-14 -4.02958930e-02 -1.21500466e-13] [ 1.02751141e-13 4.02958930e-02 -1.14269705e-13] [-1.07923653e-14 1.28386884e-14 -4.02958930e-02] [-5.65658631e-14 4.26325641e-14 4.02958930e-02] [ 5.70894706e-03 5.41242398e-14 1.99523304e-13] [-5.70894706e-03 1.74482824e-14 -2.67133108e-14] [-6.43014288e-14 -4.02958930e-02 -2.13593150e-15] [-1.14751958e-14 4.02958930e-02 -2.58640476e-14] [-3.06694774e-14 -1.56782049e-13 -4.02958930e-02] [ 7.07611053e-14 -7.50863191e-15 4.02958930e-02] [-1.97718663e-02 -1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 -1.54467610e-03 1.54467610e-03] [-1.97718663e-02 1.54467610e-03 1.54467610e-03] [-1.97718663e-02 -1.54467610e-03 1.54467610e-03] [ 1.97718663e-02 1.54467610e-03 1.54467610e-03] [-1.97718663e-02 1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 -1.54467610e-03 -1.54467610e-03] [-1.97718663e-02 -1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 -1.54467610e-03 1.54467610e-03] [-1.97718663e-02 1.54467610e-03 1.54467610e-03] [-1.97718663e-02 -1.54467610e-03 1.54467610e-03] [ 1.97718663e-02 1.54467610e-03 1.54467610e-03] [-1.97718663e-02 1.54467610e-03 -1.54467610e-03] [ 1.97718663e-02 -1.54467610e-03 -1.54467610e-03] [ 2.03864703e-13 2.17048601e-14 2.17575957e-13] [-1.01462241e-13 -8.40615576e-14 -1.61437512e-13] [-2.55795385e-13 1.34723839e-02 1.34723839e-02] [-2.03264489e-13 -1.34723839e-02 1.34723839e-02] [ 8.37281633e-14 1.34723839e-02 -1.34723839e-02] [ 8.27089789e-14 -1.34723839e-02 -1.34723839e-02] [-9.90111111e-03 -1.08246745e-13 -5.38082625e-03] [-9.90111111e-03 -1.59991811e-13 5.38082625e-03] [ 9.90111111e-03 -1.07632653e-13 -5.38082625e-03] [ 9.90111111e-03 -1.66337430e-13 5.38082625e-03] [-9.90111111e-03 -5.38082625e-03 3.73479025e-13] [ 9.90111111e-03 -5.38082625e-03 -1.75089110e-13] [-9.90111111e-03 5.38082625e-03 1.00468245e-13] [ 9.90111111e-03 5.38082625e-03 -4.90111424e-14] [ 1.52748907e-13 1.34723839e-02 1.34723839e-02] [ 3.35464729e-13 -1.34723839e-02 1.34723839e-02] [ 1.42203090e-13 1.34723839e-02 -1.34723839e-02] [-2.48676947e-14 -1.34723839e-02 -1.34723839e-02] [-9.90111111e-03 -1.88049012e-13 -5.38082625e-03] [-9.90111111e-03 -1.17242370e-14 5.38082625e-03] [ 9.90111111e-03 6.28360211e-15 -5.38082625e-03] [ 9.90111111e-03 -2.71600450e-13 5.38082625e-03] [-9.90111111e-03 -5.38082625e-03 2.39285445e-13] [ 9.90111111e-03 -5.38082625e-03 2.38987060e-13] [-9.90111111e-03 5.38082625e-03 2.56957135e-14] [ 9.90111111e-03 5.38082625e-03 3.57088491e-13]] Final stress: [-2.30790496e-03 -6.13631724e-04 -6.13631724e-04 -1.55373075e-16 2.48931056e-16 3.17428863e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.11412943e-03 -4.36400048e-14 7.84962373e-14] [-1.11412943e-03 -6.91946500e-14 1.88737914e-15] [-2.49813191e-14 3.30628549e-02 1.13024941e-02] [-2.75335310e-14 -3.30628549e-02 -1.13024941e-02] [-2.99239800e-14 1.36389918e-02 5.21359902e-03] [-6.97220059e-14 -1.36389918e-02 -5.21359902e-03] [ 1.11412943e-03 -1.34098462e-14 2.16184204e-14] [-1.11412943e-03 6.93538109e-14 1.67963084e-14] [ 4.75474694e-14 3.30628549e-02 1.13024941e-02] [-2.20353250e-15 -3.30628549e-02 -1.13024941e-02] [-1.41991453e-14 1.36389918e-02 5.21359902e-03] [-4.85093736e-14 -1.36389918e-02 -5.21359902e-03] [ 3.04207011e-02 -6.24794267e-03 4.66808352e-03] [ 1.60772689e-02 -3.00328334e-03 1.29009649e-02] [ 1.60772689e-02 3.00328334e-03 -1.29009649e-02] [ 3.04207011e-02 6.24794267e-03 -4.66808352e-03] [-1.60772689e-02 3.00328334e-03 -1.29009649e-02] [-3.04207011e-02 6.24794267e-03 -4.66808352e-03] [-1.60772689e-02 -3.00328334e-03 1.29009649e-02] [-3.04207011e-02 -6.24794267e-03 4.66808352e-03] [ 3.04207011e-02 -6.24794267e-03 4.66808352e-03] [ 1.60772689e-02 -3.00328334e-03 1.29009649e-02] [ 1.60772689e-02 3.00328334e-03 -1.29009649e-02] [ 3.04207011e-02 6.24794267e-03 -4.66808352e-03] [-1.60772689e-02 3.00328334e-03 -1.29009649e-02] [-3.04207011e-02 6.24794267e-03 -4.66808352e-03] [-1.60772689e-02 -3.00328334e-03 1.29009649e-02] [-3.04207011e-02 -6.24794267e-03 4.66808352e-03] [ 2.38697950e-15 -1.20320420e-13 3.14054338e-13] [-8.00757030e-14 -1.06400231e-13 -6.53781833e-14] [ 5.57331958e-14 1.26158571e-02 4.23386927e-02] [-1.11266898e-13 2.62966767e-02 -3.10502315e-03] [-7.71709086e-14 -2.62966767e-02 3.10502315e-03] [-6.34266945e-14 -1.26158571e-02 -4.23386927e-02] [ 1.62571007e-02 2.33211292e-02 1.67295337e-02] [ 1.62571007e-02 -2.33211292e-02 -1.67295337e-02] [-1.62571007e-02 2.33211292e-02 1.67295337e-02] [-1.62571007e-02 -2.33211292e-02 -1.67295337e-02] [ 1.81000875e-02 -7.47357318e-03 2.49886169e-02] [-1.81000875e-02 -7.47357318e-03 2.49886169e-02] [ 1.81000875e-02 7.47357318e-03 -2.49886169e-02] [-1.81000875e-02 7.47357318e-03 -2.49886169e-02] [-3.26908639e-15 1.26158571e-02 4.23386927e-02] [ 4.77061966e-14 2.62966767e-02 -3.10502315e-03] [ 2.28097922e-13 -2.62966767e-02 3.10502315e-03] [ 3.86331592e-14 -1.26158571e-02 -4.23386927e-02] [ 1.62571007e-02 2.33211292e-02 1.67295337e-02] [ 1.62571007e-02 -2.33211292e-02 -1.67295337e-02] [-1.62571007e-02 2.33211292e-02 1.67295337e-02] [-1.62571007e-02 -2.33211292e-02 -1.67295337e-02] [ 1.81000875e-02 -7.47357318e-03 2.49886169e-02] [-1.81000875e-02 -7.47357318e-03 2.49886169e-02] [ 1.81000875e-02 7.47357318e-03 -2.49886169e-02] [-1.81000875e-02 7.47357318e-03 -2.49886169e-02]] Final stress: [ 9.61039349e-04 -5.29770485e-04 1.01792124e-03 1.21399413e-03 2.68675608e-16 -2.90235997e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.11412954e-03 -5.99225530e-14 7.09146283e-14] [-1.11412954e-03 -1.77635684e-14 1.02001740e-13] [-8.02179503e-15 3.30628547e-02 -1.13024940e-02] [ 5.84254867e-14 -3.30628547e-02 1.13024940e-02] [ 5.36528287e-14 -1.36389917e-02 5.21359909e-03] [-1.15740750e-14 1.36389917e-02 -5.21359909e-03] [ 1.11412954e-03 7.35089073e-16 3.42034005e-14] [-1.11412954e-03 -3.11721135e-14 -5.83205927e-14] [-4.10040925e-14 3.30628547e-02 -1.13024940e-02] [-5.67020389e-14 -3.30628547e-02 1.13024940e-02] [-5.86917667e-14 -1.36389917e-02 5.21359909e-03] [ 2.07082615e-15 1.36389917e-02 -5.21359909e-03] [-1.60772689e-02 3.00328321e-03 1.29009648e-02] [-3.04207009e-02 6.24794261e-03 4.66808356e-03] [-3.04207009e-02 -6.24794261e-03 -4.66808356e-03] [-1.60772689e-02 -3.00328321e-03 -1.29009648e-02] [ 3.04207009e-02 -6.24794261e-03 -4.66808356e-03] [ 1.60772689e-02 -3.00328321e-03 -1.29009648e-02] [ 3.04207009e-02 6.24794261e-03 4.66808356e-03] [ 1.60772689e-02 3.00328321e-03 1.29009648e-02] [-1.60772689e-02 3.00328321e-03 1.29009648e-02] [-3.04207009e-02 6.24794261e-03 4.66808356e-03] [-3.04207009e-02 -6.24794261e-03 -4.66808356e-03] [-1.60772689e-02 -3.00328321e-03 -1.29009648e-02] [ 3.04207009e-02 -6.24794261e-03 -4.66808356e-03] [ 1.60772689e-02 -3.00328321e-03 -1.29009648e-02] [ 3.04207009e-02 6.24794261e-03 4.66808356e-03] [ 1.60772689e-02 3.00328321e-03 1.29009648e-02] [ 9.21207555e-14 -1.12687637e-14 3.48748808e-13] [-9.91953915e-14 -5.36832571e-15 -9.18499312e-14] [-1.99618100e-13 -2.62966766e-02 -3.10502327e-03] [-2.89660657e-13 -1.26158571e-02 4.23386923e-02] [ 2.20296004e-13 1.26158571e-02 -4.23386923e-02] [ 7.98423827e-14 2.62966766e-02 3.10502327e-03] [ 1.62571006e-02 -2.33211289e-02 1.67295335e-02] [ 1.62571006e-02 2.33211289e-02 -1.67295335e-02] [-1.62571006e-02 -2.33211289e-02 1.67295335e-02] [-1.62571006e-02 2.33211289e-02 -1.67295335e-02] [ 1.81000873e-02 -7.47357315e-03 -2.49886166e-02] [-1.81000873e-02 -7.47357315e-03 -2.49886166e-02] [ 1.81000873e-02 7.47357315e-03 2.49886166e-02] [-1.81000873e-02 7.47357315e-03 2.49886166e-02] [ 3.38696952e-13 -2.62966766e-02 -3.10502327e-03] [ 1.30351459e-13 -1.26158571e-02 4.23386923e-02] [ 7.39425882e-16 1.26158571e-02 -4.23386923e-02] [-3.30187266e-14 2.62966766e-02 3.10502327e-03] [ 1.62571006e-02 -2.33211289e-02 1.67295335e-02] [ 1.62571006e-02 2.33211289e-02 -1.67295335e-02] [-1.62571006e-02 -2.33211289e-02 1.67295335e-02] [-1.62571006e-02 2.33211289e-02 -1.67295335e-02] [ 1.81000873e-02 -7.47357315e-03 -2.49886166e-02] [-1.81000873e-02 -7.47357315e-03 -2.49886166e-02] [ 1.81000873e-02 7.47357315e-03 2.49886166e-02] [-1.81000873e-02 7.47357315e-03 2.49886166e-02]] Final stress: [ 9.61039349e-04 -5.29770480e-04 1.01792124e-03 -1.21399413e-03 5.80471993e-17 -1.24386856e-16] Minimization converged after 70 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[-7.76790968e-03 1.52152475e-11 2.72498560e-12] [ 7.76790968e-03 7.88782928e-12 -9.16960952e-13] [-1.07314946e-11 4.79111664e-03 -7.20444854e-04] [-3.37146977e-12 -4.79111671e-03 7.20444860e-04] [-6.55368902e-12 7.29824110e-03 1.35400537e-02] [-3.37099793e-12 -7.29824108e-03 -1.35400537e-02] [-7.76790964e-03 -1.52303712e-11 -5.50329924e-12] [ 7.76790963e-03 -7.80372579e-12 -1.09064395e-12] [ 1.13940645e-11 4.79111673e-03 -7.20444898e-04] [ 4.48077903e-12 -4.79111666e-03 7.20444898e-04] [ 5.90165763e-12 7.29824099e-03 1.35400537e-02] [ 2.10396002e-12 -7.29824101e-03 -1.35400537e-02] [ 4.62373521e-03 -2.84801511e-03 2.07271532e-04] [-8.75252761e-03 -5.89046778e-03 -7.28351489e-03] [-8.75252762e-03 5.89046779e-03 7.28351488e-03] [ 4.62373518e-03 2.84801511e-03 -2.07271510e-04] [ 8.75252761e-03 5.89046778e-03 7.28351488e-03] [-4.62373520e-03 2.84801511e-03 -2.07271515e-04] [ 8.75252760e-03 -5.89046778e-03 -7.28351490e-03] [-4.62373521e-03 -2.84801510e-03 2.07271541e-04] [ 4.62373516e-03 -2.84801509e-03 2.07271527e-04] [-8.75252759e-03 -5.89046777e-03 -7.28351485e-03] [-8.75252758e-03 5.89046776e-03 7.28351487e-03] [ 4.62373519e-03 2.84801508e-03 -2.07271540e-04] [ 8.75252758e-03 5.89046777e-03 7.28351486e-03] [-4.62373517e-03 2.84801508e-03 -2.07271536e-04] [ 8.75252760e-03 -5.89046777e-03 -7.28351484e-03] [-4.62373516e-03 -2.84801510e-03 2.07271517e-04] [-6.46716014e-12 4.13052370e-11 1.26854083e-12] [ 6.43414662e-12 -4.07220254e-11 -3.43101817e-12] [ 3.85038668e-11 -9.08673067e-03 -4.85794492e-03] [ 2.15538759e-11 1.30150985e-02 -4.13343662e-03] [ 2.98660402e-11 -1.30150986e-02 4.13343647e-03] [ 1.19221442e-11 9.08673064e-03 4.85794499e-03] [ 4.84288201e-03 -3.85696871e-03 -2.98005781e-03] [ 4.84288202e-03 3.85696857e-03 2.98005782e-03] [-4.84288197e-03 -3.85696869e-03 -2.98005772e-03] [-4.84288197e-03 3.85696858e-03 2.98005772e-03] [-9.07742888e-04 9.64159361e-03 7.99165779e-03] [ 9.07742922e-04 9.64159365e-03 7.99165780e-03] [-9.07742978e-04 -9.64159369e-03 -7.99165783e-03] [ 9.07743041e-04 -9.64159375e-03 -7.99165782e-03] [-3.82761010e-11 -9.08672753e-03 -4.85794810e-03] [-2.22953002e-11 1.30150954e-02 -4.13343971e-03] [-3.20015355e-11 -1.30150953e-02 4.13343981e-03] [-1.43749674e-11 9.08672761e-03 4.85794800e-03] [ 4.84287737e-03 -3.85696846e-03 -2.98005318e-03] [ 4.84287745e-03 3.85696860e-03 2.98005321e-03] [-4.84287740e-03 -3.85696848e-03 -2.98005326e-03] [-4.84287749e-03 3.85696859e-03 2.98005330e-03] [-9.07739825e-04 9.64159055e-03 7.99165776e-03] [ 9.07739785e-04 9.64159051e-03 7.99165775e-03] [-9.07739734e-04 -9.64159048e-03 -7.99165774e-03] [ 9.07739666e-04 -9.64159041e-03 -7.99165775e-03]] Final stress: [-2.12925309e-03 -1.21230169e-03 -2.35406712e-03 -1.09532531e-03 -2.36658532e-16 1.16662657e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.71154013e-03 1.72921573e-14 3.07781122e-04] [-3.71154013e-03 -1.47104551e-15 -3.07781122e-04] [ 1.18347172e-14 1.61025387e-02 1.80328842e-14] [ 1.41275880e-14 -1.61025387e-02 1.29340982e-14] [ 3.07781122e-04 -6.91807722e-15 3.71154013e-03] [-3.07781122e-04 4.49640325e-15 -3.71154013e-03] [ 3.71154013e-03 1.48839274e-15 3.07781122e-04] [-3.71154013e-03 3.84215229e-14 -3.07781122e-04] [-8.12110795e-15 1.61025387e-02 -1.33078066e-14] [ 5.46784840e-15 -1.61025387e-02 -2.08574503e-14] [ 3.07781122e-04 -1.91986013e-15 3.71154013e-03] [-3.07781122e-04 1.06843230e-14 -3.71154013e-03] [ 4.76192321e-03 8.32206518e-03 4.76192321e-03] [-4.75316852e-03 1.50724832e-02 4.75316852e-03] [-4.76192321e-03 8.32206518e-03 -4.76192321e-03] [ 4.75316852e-03 1.50724832e-02 -4.75316852e-03] [ 4.75316852e-03 -1.50724832e-02 -4.75316852e-03] [-4.76192321e-03 -8.32206518e-03 -4.76192321e-03] [ 4.76192321e-03 -8.32206518e-03 4.76192321e-03] [-4.75316852e-03 -1.50724832e-02 4.75316852e-03] [ 4.76192321e-03 8.32206518e-03 4.76192321e-03] [-4.75316852e-03 1.50724832e-02 4.75316852e-03] [-4.76192321e-03 8.32206518e-03 -4.76192321e-03] [ 4.75316852e-03 1.50724832e-02 -4.75316852e-03] [ 4.75316852e-03 -1.50724832e-02 -4.75316852e-03] [-4.76192321e-03 -8.32206518e-03 -4.76192321e-03] [ 4.76192321e-03 -8.32206518e-03 4.76192321e-03] [-4.75316852e-03 -1.50724832e-02 4.75316852e-03] [ 1.36085587e-13 -3.91353616e-15 8.99280650e-14] [-1.37119049e-13 3.29105866e-14 1.32880148e-13] [ 7.91258356e-03 -3.32686257e-03 5.01753921e-03] [ 7.91258356e-03 3.32686257e-03 5.01753921e-03] [-7.91258356e-03 -3.32686257e-03 -5.01753921e-03] [-7.91258356e-03 3.32686257e-03 -5.01753921e-03] [ 1.97982679e-02 -4.08562073e-14 1.97982679e-02] [-3.05735263e-03 5.54591095e-15 3.05735263e-03] [ 3.05735263e-03 4.59840499e-14 -3.05735263e-03] [-1.97982679e-02 -1.26478689e-14 -1.97982679e-02] [ 5.01753921e-03 -3.32686257e-03 7.91258356e-03] [-5.01753921e-03 -3.32686257e-03 -7.91258356e-03] [ 5.01753921e-03 3.32686257e-03 7.91258356e-03] [-5.01753921e-03 3.32686257e-03 -7.91258356e-03] [ 7.91258356e-03 -3.32686257e-03 5.01753921e-03] [ 7.91258356e-03 3.32686257e-03 5.01753921e-03] [-7.91258356e-03 -3.32686257e-03 -5.01753921e-03] [-7.91258356e-03 3.32686257e-03 -5.01753921e-03] [ 1.97982679e-02 6.62490895e-15 1.97982679e-02] [-3.05735263e-03 2.17727312e-14 3.05735263e-03] [ 3.05735263e-03 2.24256377e-14 -3.05735263e-03] [-1.97982679e-02 1.91179537e-14 -1.97982679e-02] [ 5.01753921e-03 -3.32686257e-03 7.91258356e-03] [-5.01753921e-03 -3.32686257e-03 -7.91258356e-03] [ 5.01753921e-03 3.32686257e-03 7.91258356e-03] [-5.01753921e-03 3.32686257e-03 -7.91258356e-03]] Final stress: [ 9.33511522e-04 -1.79851639e-04 9.33511522e-04 1.65849143e-17 1.13263203e-03 -4.47792687e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.71154013e-03 -2.84234442e-15 -3.07781121e-04] [-3.71154013e-03 -6.96664948e-15 3.07781121e-04] [ 4.75548420e-14 1.61025387e-02 3.11369854e-14] [ 3.42781359e-14 -1.61025387e-02 7.15261184e-14] [-3.07781121e-04 8.12717948e-15 3.71154013e-03] [ 3.07781121e-04 3.20854454e-14 -3.71154013e-03] [ 3.71154013e-03 -2.48455770e-15 -3.07781121e-04] [-3.71154013e-03 9.11163506e-16 3.07781121e-04] [-1.53297514e-14 1.61025387e-02 -1.85446624e-14] [-3.11877260e-14 -1.61025387e-02 -3.85757049e-14] [-3.07781121e-04 8.22692608e-15 3.71154013e-03] [ 3.07781121e-04 2.06167548e-14 -3.71154013e-03] [ 4.75316852e-03 -1.50724832e-02 4.75316852e-03] [-4.76192321e-03 -8.32206519e-03 4.76192321e-03] [-4.75316852e-03 -1.50724832e-02 -4.75316852e-03] [ 4.76192321e-03 -8.32206519e-03 -4.76192321e-03] [ 4.76192321e-03 8.32206519e-03 -4.76192321e-03] [-4.75316852e-03 1.50724832e-02 -4.75316852e-03] [ 4.75316852e-03 1.50724832e-02 4.75316852e-03] [-4.76192321e-03 8.32206519e-03 4.76192321e-03] [ 4.75316852e-03 -1.50724832e-02 4.75316852e-03] [-4.76192321e-03 -8.32206519e-03 4.76192321e-03] [-4.75316852e-03 -1.50724832e-02 -4.75316852e-03] [ 4.76192321e-03 -8.32206519e-03 -4.76192321e-03] [ 4.76192321e-03 8.32206519e-03 -4.76192321e-03] [-4.75316852e-03 1.50724832e-02 -4.75316852e-03] [ 4.75316852e-03 1.50724832e-02 4.75316852e-03] [-4.76192321e-03 8.32206519e-03 4.76192321e-03] [ 6.42541576e-14 -6.21724894e-15 1.32255318e-13] [-3.90377834e-14 3.39552304e-14 -3.37602362e-14] [-7.91258356e-03 -3.32686257e-03 5.01753921e-03] [-7.91258356e-03 3.32686257e-03 5.01753921e-03] [ 7.91258356e-03 -3.32686257e-03 -5.01753921e-03] [ 7.91258356e-03 3.32686257e-03 -5.01753921e-03] [-3.05735263e-03 1.02917674e-13 -3.05735263e-03] [ 1.97982680e-02 6.37285363e-14 -1.97982680e-02] [-1.97982680e-02 1.81896165e-13 1.97982680e-02] [ 3.05735263e-03 9.21832055e-15 3.05735263e-03] [ 5.01753921e-03 -3.32686257e-03 -7.91258356e-03] [-5.01753921e-03 -3.32686257e-03 7.91258356e-03] [ 5.01753921e-03 3.32686257e-03 -7.91258356e-03] [-5.01753921e-03 3.32686257e-03 7.91258356e-03] [-7.91258356e-03 -3.32686257e-03 5.01753921e-03] [-7.91258356e-03 3.32686257e-03 5.01753921e-03] [ 7.91258356e-03 -3.32686257e-03 -5.01753921e-03] [ 7.91258356e-03 3.32686257e-03 -5.01753921e-03] [-3.05735263e-03 1.79989113e-15 -3.05735263e-03] [ 1.97982680e-02 -1.39911954e-13 -1.97982680e-02] [-1.97982680e-02 -1.97112292e-14 1.97982680e-02] [ 3.05735263e-03 -5.29003924e-15 3.05735263e-03] [ 5.01753921e-03 -3.32686257e-03 -7.91258356e-03] [-5.01753921e-03 -3.32686257e-03 7.91258356e-03] [ 5.01753921e-03 3.32686257e-03 -7.91258356e-03] [-5.01753921e-03 3.32686257e-03 7.91258356e-03]] Final stress: [ 9.33511522e-04 -1.79851639e-04 9.33511522e-04 -5.14132344e-17 -1.13263203e-03 3.31698287e-17] Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.21359908e-03 1.36389917e-02 7.42938697e-14] [-5.21359908e-03 -1.36389917e-02 -4.82391904e-14] [ 1.13024940e-02 3.30628548e-02 3.11495621e-14] [-1.13024940e-02 -3.30628548e-02 1.48714374e-13] [-4.04966859e-14 2.66453526e-15 1.11412952e-03] [ 8.98170427e-14 -1.42941214e-14 -1.11412952e-03] [ 5.21359908e-03 1.36389917e-02 -8.02634893e-15] [-5.21359908e-03 -1.36389917e-02 -4.31837153e-14] [ 1.13024940e-02 3.30628548e-02 -8.29115305e-15] [-1.13024940e-02 -3.30628548e-02 -7.93608124e-14] [ 2.68726014e-14 -1.74233830e-16 1.11412952e-03] [ 1.21929376e-14 -6.35842697e-14 -1.11412952e-03] [ 4.66808355e-03 -6.24794263e-03 3.04207010e-02] [-4.66808355e-03 6.24794263e-03 3.04207010e-02] [-1.29009648e-02 3.00328325e-03 1.60772689e-02] [ 1.29009648e-02 -3.00328325e-03 1.60772689e-02] [ 4.66808355e-03 -6.24794263e-03 -3.04207010e-02] [-4.66808355e-03 6.24794263e-03 -3.04207010e-02] [ 1.29009648e-02 -3.00328325e-03 -1.60772689e-02] [-1.29009648e-02 3.00328325e-03 -1.60772689e-02] [ 4.66808355e-03 -6.24794263e-03 3.04207010e-02] [-4.66808355e-03 6.24794263e-03 3.04207010e-02] [-1.29009648e-02 3.00328325e-03 1.60772689e-02] [ 1.29009648e-02 -3.00328325e-03 1.60772689e-02] [ 4.66808355e-03 -6.24794263e-03 -3.04207010e-02] [-4.66808355e-03 6.24794263e-03 -3.04207010e-02] [ 1.29009648e-02 -3.00328325e-03 -1.60772689e-02] [-1.29009648e-02 3.00328325e-03 -1.60772689e-02] [ 3.87689880e-13 -1.52627910e-13 5.69017056e-13] [-7.23553162e-14 -7.79255167e-14 -1.48734052e-13] [ 2.49886167e-02 -7.47357316e-03 1.81000874e-02] [-2.49886167e-02 7.47357316e-03 1.81000874e-02] [ 2.49886167e-02 -7.47357316e-03 -1.81000874e-02] [-2.49886167e-02 7.47357316e-03 -1.81000874e-02] [ 1.67295336e-02 2.33211290e-02 1.62571007e-02] [ 1.67295336e-02 2.33211290e-02 -1.62571007e-02] [-1.67295336e-02 -2.33211290e-02 1.62571007e-02] [-1.67295336e-02 -2.33211290e-02 -1.62571007e-02] [ 4.23386925e-02 1.26158571e-02 -3.55271368e-14] [ 3.10502324e-03 -2.62966767e-02 -8.64516791e-14] [-3.10502324e-03 2.62966767e-02 -1.96554578e-13] [-4.23386925e-02 -1.26158571e-02 4.08631462e-14] [ 2.49886167e-02 -7.47357316e-03 1.81000874e-02] [-2.49886167e-02 7.47357316e-03 1.81000874e-02] [ 2.49886167e-02 -7.47357316e-03 -1.81000874e-02] [-2.49886167e-02 7.47357316e-03 -1.81000874e-02] [ 1.67295336e-02 2.33211290e-02 1.62571007e-02] [ 1.67295336e-02 2.33211290e-02 -1.62571007e-02] [-1.67295336e-02 -2.33211290e-02 1.62571007e-02] [-1.67295336e-02 -2.33211290e-02 -1.62571007e-02] [ 4.23386925e-02 1.26158571e-02 3.08297923e-13] [ 3.10502324e-03 -2.62966767e-02 3.68463662e-13] [-3.10502324e-03 2.62966767e-02 3.92366275e-13] [-4.23386925e-02 -1.26158571e-02 3.60658985e-13]] Final stress: [ 1.01792124e-03 -5.29770482e-04 9.61039349e-04 5.63887079e-17 1.29362330e-16 1.21399413e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.21359909e-03 -1.36389917e-02 -9.38949439e-14] [-5.21359909e-03 1.36389917e-02 6.53366250e-14] [-1.13024940e-02 3.30628548e-02 -2.32383557e-14] [ 1.13024940e-02 -3.30628548e-02 3.29736238e-14] [ 5.43376108e-14 1.11390931e-13 1.11412952e-03] [-6.91113833e-15 5.60662627e-14 -1.11412952e-03] [ 5.21359909e-03 -1.36389917e-02 4.17587975e-14] [-5.21359909e-03 1.36389917e-02 -3.13616605e-14] [-1.13024940e-02 3.30628548e-02 -4.57173856e-14] [ 1.13024940e-02 -3.30628548e-02 -7.96436107e-14] [-3.89284958e-14 1.42319662e-15 1.11412952e-03] [-4.64376801e-14 -5.92121465e-14 -1.11412952e-03] [ 1.29009648e-02 3.00328324e-03 -1.60772689e-02] [-1.29009648e-02 -3.00328324e-03 -1.60772689e-02] [-4.66808355e-03 -6.24794262e-03 -3.04207010e-02] [ 4.66808355e-03 6.24794262e-03 -3.04207010e-02] [ 1.29009648e-02 3.00328324e-03 1.60772689e-02] [-1.29009648e-02 -3.00328324e-03 1.60772689e-02] [ 4.66808355e-03 6.24794262e-03 3.04207010e-02] [-4.66808355e-03 -6.24794262e-03 3.04207010e-02] [ 1.29009648e-02 3.00328324e-03 -1.60772689e-02] [-1.29009648e-02 -3.00328324e-03 -1.60772689e-02] [-4.66808355e-03 -6.24794262e-03 -3.04207010e-02] [ 4.66808355e-03 6.24794262e-03 -3.04207010e-02] [ 1.29009648e-02 3.00328324e-03 1.60772689e-02] [-1.29009648e-02 -3.00328324e-03 1.60772689e-02] [ 4.66808355e-03 6.24794262e-03 3.04207010e-02] [-4.66808355e-03 -6.24794262e-03 3.04207010e-02] [ 4.31876757e-13 1.14408483e-13 2.32508457e-13] [-6.22294750e-13 -1.21324542e-13 2.00614395e-14] [-2.49886167e-02 -7.47357316e-03 1.81000874e-02] [ 2.49886167e-02 7.47357316e-03 1.81000874e-02] [-2.49886167e-02 -7.47357316e-03 -1.81000874e-02] [ 2.49886167e-02 7.47357316e-03 -1.81000874e-02] [ 1.67295336e-02 -2.33211289e-02 1.62571006e-02] [ 1.67295336e-02 -2.33211289e-02 -1.62571006e-02] [-1.67295336e-02 2.33211289e-02 1.62571006e-02] [-1.67295336e-02 2.33211289e-02 -1.62571006e-02] [-3.10502325e-03 -2.62966766e-02 6.91668944e-14] [-4.23386925e-02 1.26158571e-02 -7.22026605e-14] [ 4.23386924e-02 -1.26158571e-02 1.97376837e-14] [ 3.10502325e-03 2.62966766e-02 -2.75304085e-13] [-2.49886167e-02 -7.47357316e-03 1.81000874e-02] [ 2.49886167e-02 7.47357316e-03 1.81000874e-02] [-2.49886167e-02 -7.47357316e-03 -1.81000874e-02] [ 2.49886167e-02 7.47357316e-03 -1.81000874e-02] [ 1.67295336e-02 -2.33211289e-02 1.62571006e-02] [ 1.67295336e-02 -2.33211289e-02 -1.62571006e-02] [-1.67295336e-02 2.33211289e-02 1.62571006e-02] [-1.67295336e-02 2.33211289e-02 -1.62571006e-02] [-3.10502325e-03 -2.62966767e-02 4.69210854e-13] [-4.23386925e-02 1.26158571e-02 9.15850308e-14] [ 4.23386925e-02 -1.26158571e-02 1.47543836e-13] [ 3.10502325e-03 2.62966766e-02 2.70675409e-13]] Final stress: [ 1.01792124e-03 -5.29770482e-04 9.61039349e-04 1.06143450e-16 2.98528454e-17 -1.21399413e-03] Minimization converged after 70 steps. Minimization converged after 70 steps. Minimization converged after 25 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.11412954e-03 -9.77442953e-14 -1.85958020e-14] [-1.11412954e-03 -6.49480469e-15 -2.81719092e-14] [ 9.78210568e-15 5.21359910e-03 1.36389917e-02] [-5.52335955e-15 -5.21359910e-03 -1.36389917e-02] [ 3.22311622e-14 1.13024940e-02 3.30628548e-02] [ 7.31359417e-14 -1.13024940e-02 -3.30628548e-02] [ 1.11412954e-03 2.69771185e-14 -1.70236639e-14] [-1.11412954e-03 3.14826290e-14 5.34087485e-14] [-5.17368266e-14 5.21359910e-03 1.36389917e-02] [-9.17638361e-14 -5.21359910e-03 -1.36389917e-02] [ 8.14387620e-14 1.13024940e-02 3.30628548e-02] [-8.35572930e-15 -1.13024940e-02 -3.30628548e-02] [ 3.04207009e-02 4.66808356e-03 -6.24794262e-03] [ 1.60772689e-02 -1.29009648e-02 3.00328323e-03] [ 1.60772689e-02 1.29009648e-02 -3.00328323e-03] [ 3.04207009e-02 -4.66808356e-03 6.24794262e-03] [-1.60772689e-02 1.29009648e-02 -3.00328323e-03] [-3.04207009e-02 -4.66808356e-03 6.24794262e-03] [-1.60772689e-02 -1.29009648e-02 3.00328323e-03] [-3.04207009e-02 4.66808356e-03 -6.24794262e-03] [ 3.04207009e-02 4.66808356e-03 -6.24794262e-03] [ 1.60772689e-02 -1.29009648e-02 3.00328323e-03] [ 1.60772689e-02 1.29009648e-02 -3.00328323e-03] [ 3.04207009e-02 -4.66808356e-03 6.24794262e-03] [-1.60772689e-02 1.29009648e-02 -3.00328323e-03] [-3.04207009e-02 -4.66808356e-03 6.24794262e-03] [-1.60772689e-02 -1.29009648e-02 3.00328323e-03] [-3.04207009e-02 4.66808356e-03 -6.24794262e-03] [ 3.35148576e-13 -1.53654867e-13 2.03170814e-13] [ 2.03118772e-14 3.05578910e-13 -3.04532985e-14] [ 9.31477118e-14 4.23386924e-02 1.26158571e-02] [ 1.90300900e-13 3.10502326e-03 -2.62966766e-02] [ 1.72604986e-13 -3.10502326e-03 2.62966766e-02] [-6.17613599e-14 -4.23386924e-02 -1.26158571e-02] [ 1.81000873e-02 2.49886167e-02 -7.47357315e-03] [ 1.81000873e-02 -2.49886167e-02 7.47357315e-03] [-1.81000873e-02 2.49886167e-02 -7.47357315e-03] [-1.81000873e-02 -2.49886167e-02 7.47357315e-03] [ 1.62571006e-02 1.67295336e-02 2.33211289e-02] [-1.62571006e-02 1.67295336e-02 2.33211289e-02] [ 1.62571006e-02 -1.67295336e-02 -2.33211289e-02] [-1.62571006e-02 -1.67295336e-02 -2.33211289e-02] [ 2.48876007e-13 4.23386924e-02 1.26158571e-02] [-8.34410666e-14 3.10502327e-03 -2.62966766e-02] [ 4.37538894e-13 -3.10502327e-03 2.62966766e-02] [ 1.27710776e-13 -4.23386924e-02 -1.26158571e-02] [ 1.81000873e-02 2.49886167e-02 -7.47357315e-03] [ 1.81000873e-02 -2.49886167e-02 7.47357315e-03] [-1.81000873e-02 2.49886167e-02 -7.47357315e-03] [-1.81000873e-02 -2.49886167e-02 7.47357315e-03] [ 1.62571006e-02 1.67295336e-02 2.33211289e-02] [-1.62571006e-02 1.67295336e-02 2.33211289e-02] [ 1.62571006e-02 -1.67295336e-02 -2.33211289e-02] [-1.62571006e-02 -1.67295336e-02 -2.33211289e-02]] Final stress: [ 9.61039349e-04 1.01792124e-03 -5.29770481e-04 1.21399413e-03 2.98528454e-17 6.79981478e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.11412957e-03 -7.09246030e-14 -8.91470057e-14] [-1.11412957e-03 -4.01900735e-14 1.38944412e-13] [ 4.42272087e-14 5.21359912e-03 -1.36389917e-02] [ 7.46624984e-15 -5.21359911e-03 1.36389917e-02] [ 4.90085403e-14 -1.13024939e-02 3.30628547e-02] [-5.12367926e-14 1.13024939e-02 -3.30628547e-02] [ 1.11412957e-03 1.55535307e-14 4.07562710e-14] [-1.11412957e-03 3.75732431e-14 4.03362697e-14] [-5.26557964e-14 5.21359912e-03 -1.36389917e-02] [ 3.54477732e-14 -5.21359911e-03 1.36389917e-02] [-3.68568023e-14 -1.13024939e-02 3.30628547e-02] [-3.87320384e-14 1.13024939e-02 -3.30628547e-02] [-1.60772689e-02 1.29009647e-02 3.00328319e-03] [-3.04207009e-02 -4.66808357e-03 -6.24794260e-03] [-3.04207009e-02 4.66808357e-03 6.24794260e-03] [-1.60772689e-02 -1.29009647e-02 -3.00328319e-03] [ 3.04207009e-02 4.66808357e-03 6.24794260e-03] [ 1.60772689e-02 -1.29009647e-02 -3.00328319e-03] [ 3.04207009e-02 -4.66808357e-03 -6.24794260e-03] [ 1.60772689e-02 1.29009647e-02 3.00328319e-03] [-1.60772689e-02 1.29009647e-02 3.00328319e-03] [-3.04207009e-02 -4.66808357e-03 -6.24794260e-03] [-3.04207009e-02 4.66808357e-03 6.24794260e-03] [-1.60772689e-02 -1.29009647e-02 -3.00328319e-03] [ 3.04207009e-02 4.66808357e-03 6.24794260e-03] [ 1.60772689e-02 -1.29009647e-02 -3.00328319e-03] [ 3.04207009e-02 -4.66808357e-03 -6.24794260e-03] [ 1.60772689e-02 1.29009647e-02 3.00328319e-03] [ 3.79030141e-13 -2.38781217e-13 -3.32234240e-14] [-3.91362723e-13 -1.19792925e-13 -3.49634973e-14] [-1.18682841e-13 -3.10502330e-03 -2.62966766e-02] [-9.50420298e-14 -4.23386923e-02 1.26158571e-02] [ 4.76736706e-14 4.23386923e-02 -1.26158571e-02] [-1.48579066e-14 3.10502330e-03 2.62966766e-02] [ 1.81000873e-02 -2.49886166e-02 -7.47357315e-03] [ 1.81000873e-02 2.49886166e-02 7.47357315e-03] [-1.81000873e-02 -2.49886166e-02 -7.47357315e-03] [-1.81000873e-02 2.49886166e-02 7.47357315e-03] [ 1.62571006e-02 1.67295335e-02 -2.33211288e-02] [-1.62571006e-02 1.67295335e-02 -2.33211288e-02] [ 1.62571006e-02 -1.67295335e-02 2.33211288e-02] [-1.62571006e-02 -1.67295335e-02 2.33211288e-02] [-2.85396706e-14 -3.10502329e-03 -2.62966766e-02] [ 6.85454297e-14 -4.23386923e-02 1.26158571e-02] [-3.11031149e-13 4.23386923e-02 -1.26158571e-02] [-1.90702489e-14 3.10502329e-03 2.62966766e-02] [ 1.81000873e-02 -2.49886166e-02 -7.47357315e-03] [ 1.81000873e-02 2.49886166e-02 7.47357315e-03] [-1.81000873e-02 -2.49886166e-02 -7.47357315e-03] [-1.81000873e-02 2.49886166e-02 7.47357315e-03] [ 1.62571006e-02 1.67295335e-02 -2.33211288e-02] [-1.62571006e-02 1.67295335e-02 -2.33211288e-02] [ 1.62571006e-02 -1.67295335e-02 2.33211288e-02] [-1.62571006e-02 -1.67295335e-02 2.33211288e-02]] Final stress: [ 9.61039349e-04 1.01792124e-03 -5.29770479e-04 -1.21399413e-03 -1.19411381e-16 -1.09460433e-16] Minimization converged after 68 steps. Minimization converged after 70 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.21359912e-03 -9.39179290e-15 1.36389916e-02] [-5.21359912e-03 1.12132525e-14 -1.36389916e-02] [-3.87515540e-14 1.11412959e-03 7.24108273e-14] [-3.62765373e-14 -1.11412959e-03 3.34732242e-14] [ 1.13024939e-02 3.93626104e-14 3.30628546e-02] [-1.13024939e-02 4.39093206e-14 -3.30628546e-02] [ 5.21359912e-03 2.89178403e-15 1.36389916e-02] [-5.21359912e-03 1.34952813e-14 -1.36389916e-02] [-9.77455963e-14 1.11412959e-03 -4.14827008e-14] [-2.21381073e-14 -1.11412959e-03 2.09444482e-15] [ 1.13024939e-02 1.54956839e-14 3.30628546e-02] [-1.13024939e-02 -2.30564802e-14 -3.30628546e-02] [ 4.66808357e-03 3.04207008e-02 -6.24794259e-03] [-1.29009647e-02 1.60772688e-02 3.00328314e-03] [-4.66808357e-03 3.04207008e-02 6.24794259e-03] [ 1.29009647e-02 1.60772688e-02 -3.00328314e-03] [ 1.29009647e-02 -1.60772688e-02 -3.00328314e-03] [-4.66808357e-03 -3.04207008e-02 6.24794259e-03] [ 4.66808357e-03 -3.04207008e-02 -6.24794259e-03] [-1.29009647e-02 -1.60772688e-02 3.00328314e-03] [ 4.66808357e-03 3.04207008e-02 -6.24794259e-03] [-1.29009647e-02 1.60772688e-02 3.00328314e-03] [-4.66808357e-03 3.04207008e-02 6.24794259e-03] [ 1.29009647e-02 1.60772688e-02 -3.00328314e-03] [ 1.29009647e-02 -1.60772688e-02 -3.00328314e-03] [-4.66808357e-03 -3.04207008e-02 6.24794259e-03] [ 4.66808357e-03 -3.04207008e-02 -6.24794259e-03] [-1.29009647e-02 -1.60772688e-02 3.00328314e-03] [ 2.48356891e-13 -6.49758025e-14 2.29483099e-13] [-6.62313086e-14 -1.17034781e-13 3.75826066e-13] [ 2.49886165e-02 1.81000872e-02 -7.47357314e-03] [ 2.49886165e-02 -1.81000872e-02 -7.47357314e-03] [-2.49886165e-02 1.81000872e-02 7.47357314e-03] [-2.49886165e-02 -1.81000872e-02 7.47357314e-03] [ 4.23386921e-02 -2.42028619e-14 1.26158570e-02] [-3.10502333e-03 1.74079501e-14 2.62966766e-02] [ 3.10502333e-03 3.51992741e-14 -2.62966766e-02] [-4.23386921e-02 -1.35402106e-13 -1.26158570e-02] [ 1.67295335e-02 1.62571005e-02 2.33211287e-02] [-1.67295335e-02 1.62571005e-02 -2.33211287e-02] [ 1.67295335e-02 -1.62571005e-02 2.33211287e-02] [-1.67295335e-02 -1.62571005e-02 -2.33211287e-02] [ 2.49886165e-02 1.81000872e-02 -7.47357314e-03] [ 2.49886165e-02 -1.81000872e-02 -7.47357314e-03] [-2.49886165e-02 1.81000872e-02 7.47357314e-03] [-2.49886165e-02 -1.81000872e-02 7.47357314e-03] [ 4.23386921e-02 -1.30214759e-13 1.26158570e-02] [-3.10502333e-03 5.37898719e-14 2.62966766e-02] [ 3.10502333e-03 2.11766368e-14 -2.62966766e-02] [-4.23386921e-02 -3.51932025e-15 -1.26158570e-02] [ 1.67295335e-02 1.62571005e-02 2.33211287e-02] [-1.67295335e-02 1.62571005e-02 -2.33211287e-02] [ 1.67295335e-02 -1.62571005e-02 2.33211287e-02] [-1.67295335e-02 -1.62571005e-02 -2.33211287e-02]] Final stress: [ 1.01792124e-03 9.61039349e-04 -5.29770477e-04 5.97056907e-17 1.21399413e-03 -1.09460433e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 5.21359901e-03 5.52878056e-14 -1.36389919e-02] [-5.21359901e-03 4.69624339e-14 1.36389919e-02] [ 1.86599868e-14 1.11412941e-03 7.80538828e-15] [ 3.43058915e-14 -1.11412941e-03 3.68871600e-14] [-1.13024942e-02 4.76892831e-14 3.30628549e-02] [ 1.13024942e-02 2.36755060e-14 -3.30628549e-02] [ 5.21359901e-03 -2.37093331e-15 -1.36389919e-02] [-5.21359901e-03 1.77670378e-14 1.36389919e-02] [-8.20888496e-14 1.11412941e-03 -4.41855398e-14] [-2.20266513e-14 -1.11412941e-03 -6.76934781e-14] [-1.13024942e-02 1.15201634e-14 3.30628549e-02] [ 1.13024942e-02 1.70920075e-13 -3.30628549e-02] [ 1.29009649e-02 -1.60772689e-02 3.00328335e-03] [-4.66808351e-03 -3.04207011e-02 -6.24794268e-03] [-1.29009649e-02 -1.60772689e-02 -3.00328335e-03] [ 4.66808351e-03 -3.04207011e-02 6.24794268e-03] [ 4.66808351e-03 3.04207011e-02 6.24794268e-03] [-1.29009649e-02 1.60772689e-02 -3.00328335e-03] [ 1.29009649e-02 1.60772689e-02 3.00328335e-03] [-4.66808351e-03 3.04207011e-02 -6.24794268e-03] [ 1.29009649e-02 -1.60772689e-02 3.00328335e-03] [-4.66808351e-03 -3.04207011e-02 -6.24794268e-03] [-1.29009649e-02 -1.60772689e-02 -3.00328335e-03] [ 4.66808351e-03 -3.04207011e-02 6.24794268e-03] [ 4.66808351e-03 3.04207011e-02 6.24794268e-03] [-1.29009649e-02 1.60772689e-02 -3.00328335e-03] [ 1.29009649e-02 1.60772689e-02 3.00328335e-03] [-4.66808351e-03 3.04207011e-02 -6.24794268e-03] [ 2.81302759e-13 4.90718577e-14 7.05824288e-14] [-1.71549840e-13 -9.91056733e-14 -3.98050225e-14] [-2.49886170e-02 1.81000875e-02 -7.47357318e-03] [-2.49886170e-02 -1.81000875e-02 -7.47357318e-03] [ 2.49886170e-02 1.81000875e-02 7.47357318e-03] [ 2.49886170e-02 -1.81000875e-02 7.47357318e-03] [-3.10502313e-03 -1.65090164e-13 -2.62966767e-02] [ 4.23386927e-02 -4.22682722e-14 -1.26158571e-02] [-4.23386927e-02 -1.65704256e-13 1.26158571e-02] [ 3.10502313e-03 -1.35395167e-14 2.62966767e-02] [ 1.67295337e-02 1.62571007e-02 -2.33211292e-02] [-1.67295337e-02 1.62571007e-02 2.33211292e-02] [ 1.67295337e-02 -1.62571007e-02 -2.33211292e-02] [-1.67295337e-02 -1.62571007e-02 2.33211292e-02] [-2.49886170e-02 1.81000875e-02 -7.47357318e-03] [-2.49886170e-02 -1.81000875e-02 -7.47357318e-03] [ 2.49886170e-02 1.81000875e-02 7.47357318e-03] [ 2.49886170e-02 -1.81000875e-02 7.47357318e-03] [-3.10502313e-03 -4.35683470e-14 -2.62966767e-02] [ 4.23386927e-02 -5.80254161e-14 -1.26158571e-02] [-4.23386927e-02 -9.73049766e-15 1.26158571e-02] [ 3.10502313e-03 -7.90136186e-14 2.62966767e-02] [ 1.67295337e-02 1.62571007e-02 -2.33211292e-02] [-1.67295337e-02 1.62571007e-02 2.33211292e-02] [ 1.67295337e-02 -1.62571007e-02 -2.33211292e-02] [-1.67295337e-02 -1.62571007e-02 2.33211292e-02]] Final stress: [ 1.01792124e-03 9.61039349e-04 -5.29770485e-04 -1.17752890e-16 -1.21399413e-03 -1.94043495e-16] Minimization converged after 69 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 32 steps. Final forces: [[ 1.37823631e-02 9.22641304e-13 7.27723344e-03] [-1.37823631e-02 9.79105685e-13 -7.27723346e-03] [-2.11883679e-12 -7.84069445e-03 -2.57892449e-12] [-2.56006327e-12 7.84069445e-03 -1.00336406e-11] [-7.44976266e-04 -1.92260682e-12 4.62820486e-03] [ 7.44976259e-04 5.53793122e-12 -4.62820482e-03] [ 1.37823631e-02 -8.59242365e-13 7.27723353e-03] [-1.37823631e-02 -6.68842694e-13 -7.27723352e-03] [ 2.65728802e-12 -7.84069449e-03 2.92818850e-12] [ 3.51409861e-12 7.84069449e-03 1.03695701e-11] [-7.44976227e-04 2.07386873e-12 4.62820481e-03] [ 7.44976233e-04 -4.85413236e-12 -4.62820485e-03] [ 1.91620337e-04 4.53614099e-03 -2.78823819e-03] [ 7.14122526e-03 -9.00885702e-03 6.15044736e-03] [-1.91620353e-04 4.53614100e-03 2.78823818e-03] [-7.14122526e-03 -9.00885703e-03 -6.15044736e-03] [-7.14122526e-03 9.00885702e-03 -6.15044736e-03] [-1.91620351e-04 -4.53614100e-03 2.78823819e-03] [ 1.91620336e-04 -4.53614099e-03 -2.78823819e-03] [ 7.14122526e-03 9.00885702e-03 6.15044736e-03] [ 1.91620348e-04 4.53614102e-03 -2.78823820e-03] [ 7.14122529e-03 -9.00885704e-03 6.15044738e-03] [-1.91620333e-04 4.53614102e-03 2.78823821e-03] [-7.14122529e-03 -9.00885704e-03 -6.15044738e-03] [-7.14122529e-03 9.00885704e-03 -6.15044737e-03] [-1.91620334e-04 -4.53614101e-03 2.78823821e-03] [ 1.91620350e-04 -4.53614103e-03 -2.78823820e-03] [ 7.14122529e-03 9.00885704e-03 6.15044738e-03] [-3.92072486e-12 1.54232183e-12 -2.30482022e-11] [ 3.92026559e-12 -1.19990191e-12 2.15393181e-11] [ 8.04002778e-03 -8.46760633e-04 9.49047196e-03] [ 8.04002778e-03 8.46760604e-04 9.49047193e-03] [-8.04002775e-03 -8.46760560e-04 -9.49047190e-03] [-8.04002775e-03 8.46760561e-04 -9.49047190e-03] [-4.96130430e-03 3.43425288e-12 -9.81214878e-03] [-3.96720674e-03 -1.50989481e-11 1.33378686e-02] [ 3.96720683e-03 1.43030900e-12 -1.33378686e-02] [ 4.96130427e-03 -1.55073044e-11 9.81214880e-03] [-2.74621673e-03 5.00914421e-03 -4.13151194e-03] [ 2.74621675e-03 5.00914426e-03 4.13151199e-03] [-2.74621674e-03 -5.00914421e-03 -4.13151192e-03] [ 2.74621676e-03 -5.00914427e-03 4.13151201e-03] [ 8.04002780e-03 -8.46763191e-04 9.49047452e-03] [ 8.04002780e-03 8.46763214e-04 9.49047454e-03] [-8.04002784e-03 -8.46763264e-04 -9.49047458e-03] [-8.04002784e-03 8.46763258e-04 -9.49047457e-03] [-4.96130173e-03 -3.67669853e-12 -9.81215133e-03] [-3.96720417e-03 1.36478440e-11 1.33378713e-02] [ 3.96720409e-03 -3.70476523e-12 -1.33378713e-02] [ 4.96130176e-03 1.42028754e-11 9.81215132e-03] [-2.74622051e-03 5.00914804e-03 -4.13151209e-03] [ 2.74622048e-03 5.00914798e-03 4.13151203e-03] [-2.74622048e-03 -5.00914803e-03 -4.13151210e-03] [ 2.74622045e-03 -5.00914797e-03 4.13151201e-03]] Final stress: [-2.35766444e-03 -2.12931738e-03 -1.21146784e-03 -2.59991063e-16 -1.09627012e-03 -1.21995807e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.71154013e-03 3.07781120e-04 3.20351384e-14] [-3.71154013e-03 -3.07781120e-04 -4.38538095e-15] [ 3.07781120e-04 3.71154013e-03 2.97444361e-14] [-3.07781120e-04 -3.71154013e-03 8.38218384e-15] [-1.93321921e-14 -8.22692608e-16 1.61025387e-02] [ 7.02216063e-15 1.81243909e-14 -1.61025387e-02] [ 3.71154013e-03 3.07781120e-04 -1.13044608e-14] [-3.71154013e-03 -3.07781120e-04 -2.10998156e-14] [ 3.07781120e-04 3.71154013e-03 -1.52222436e-14] [-3.07781120e-04 -3.71154013e-03 1.74047732e-14] [-4.63223210e-14 6.01962006e-15 1.61025387e-02] [-5.34628765e-14 9.01090675e-15 -1.61025387e-02] [ 4.76192321e-03 4.76192321e-03 8.32206519e-03] [-4.76192321e-03 -4.76192321e-03 8.32206519e-03] [-4.75316852e-03 4.75316852e-03 1.50724832e-02] [ 4.75316852e-03 -4.75316852e-03 1.50724832e-02] [ 4.76192321e-03 4.76192321e-03 -8.32206519e-03] [-4.76192321e-03 -4.76192321e-03 -8.32206519e-03] [ 4.75316852e-03 -4.75316852e-03 -1.50724832e-02] [-4.75316852e-03 4.75316852e-03 -1.50724832e-02] [ 4.76192321e-03 4.76192321e-03 8.32206519e-03] [-4.76192321e-03 -4.76192321e-03 8.32206519e-03] [-4.75316852e-03 4.75316852e-03 1.50724832e-02] [ 4.75316852e-03 -4.75316852e-03 1.50724832e-02] [ 4.76192321e-03 4.76192321e-03 -8.32206519e-03] [-4.76192321e-03 -4.76192321e-03 -8.32206519e-03] [ 4.75316852e-03 -4.75316852e-03 -1.50724832e-02] [-4.75316852e-03 4.75316852e-03 -1.50724832e-02] [ 1.60038649e-13 -5.66213743e-14 1.13742349e-13] [-3.99680289e-15 1.22169436e-13 3.82950148e-14] [ 7.91258357e-03 5.01753921e-03 -3.32686257e-03] [-7.91258357e-03 -5.01753921e-03 -3.32686257e-03] [ 7.91258357e-03 5.01753921e-03 3.32686257e-03] [-7.91258357e-03 -5.01753921e-03 3.32686257e-03] [ 5.01753921e-03 7.91258357e-03 -3.32686257e-03] [ 5.01753921e-03 7.91258357e-03 3.32686257e-03] [-5.01753921e-03 -7.91258357e-03 -3.32686257e-03] [-5.01753921e-03 -7.91258357e-03 3.32686257e-03] [ 1.97982680e-02 1.97982680e-02 -4.45199433e-14] [ 3.05735263e-03 -3.05735263e-03 -1.12757026e-14] [-3.05735263e-03 3.05735263e-03 1.91860416e-14] [-1.97982680e-02 -1.97982680e-02 1.73246834e-14] [ 7.91258357e-03 5.01753921e-03 -3.32686257e-03] [-7.91258357e-03 -5.01753921e-03 -3.32686257e-03] [ 7.91258357e-03 5.01753921e-03 3.32686257e-03] [-7.91258357e-03 -5.01753921e-03 3.32686257e-03] [ 5.01753921e-03 7.91258357e-03 -3.32686257e-03] [ 5.01753921e-03 7.91258357e-03 3.32686257e-03] [-5.01753921e-03 -7.91258357e-03 -3.32686257e-03] [-5.01753921e-03 -7.91258357e-03 3.32686257e-03] [ 1.97982680e-02 1.97982680e-02 1.73710498e-13] [ 3.05735263e-03 -3.05735263e-03 1.52486395e-14] [-3.05735263e-03 3.05735263e-03 1.32099853e-14] [-1.97982680e-02 -1.97982680e-02 -2.61479206e-14]] Final stress: [ 9.33511522e-04 9.33511522e-04 -1.79851640e-04 -2.32188801e-17 -2.48773715e-17 1.13263203e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.71154013e-03 -3.07781121e-04 1.07002081e-14] [-3.71154013e-03 3.07781121e-04 5.05151476e-15] [-3.07781121e-04 3.71154013e-03 -1.43977712e-14] [ 3.07781121e-04 -3.71154013e-03 -2.08166817e-15] [-7.53303669e-16 4.06914086e-14 1.61025387e-02] [ 4.11337631e-14 -4.77395901e-15 -1.61025387e-02] [ 3.71154013e-03 -3.07781121e-04 3.01981571e-14] [-3.71154013e-03 3.07781121e-04 2.56503580e-15] [-3.07781121e-04 3.71154013e-03 5.60441243e-15] [ 3.07781121e-04 -3.71154013e-03 -1.84816763e-14] [-7.80321988e-15 -8.43133123e-15 1.61025387e-02] [-2.30306225e-14 4.70671831e-14 -1.61025387e-02] [ 4.75316852e-03 4.75316852e-03 -1.50724832e-02] [-4.75316852e-03 -4.75316852e-03 -1.50724832e-02] [-4.76192321e-03 4.76192321e-03 -8.32206519e-03] [ 4.76192321e-03 -4.76192321e-03 -8.32206519e-03] [ 4.75316852e-03 4.75316852e-03 1.50724832e-02] [-4.75316852e-03 -4.75316852e-03 1.50724832e-02] [ 4.76192321e-03 -4.76192321e-03 8.32206519e-03] [-4.76192321e-03 4.76192321e-03 8.32206519e-03] [ 4.75316852e-03 4.75316852e-03 -1.50724832e-02] [-4.75316852e-03 -4.75316852e-03 -1.50724832e-02] [-4.76192321e-03 4.76192321e-03 -8.32206519e-03] [ 4.76192321e-03 -4.76192321e-03 -8.32206519e-03] [ 4.75316852e-03 4.75316852e-03 1.50724832e-02] [-4.75316852e-03 -4.75316852e-03 1.50724832e-02] [ 4.76192321e-03 -4.76192321e-03 8.32206519e-03] [-4.76192321e-03 4.76192321e-03 8.32206519e-03] [ 7.98805466e-14 -1.17073018e-13 8.55149285e-14] [-3.43648721e-14 -7.94194126e-14 4.72464081e-14] [-7.91258357e-03 5.01753921e-03 -3.32686257e-03] [ 7.91258357e-03 -5.01753921e-03 -3.32686257e-03] [-7.91258357e-03 5.01753921e-03 3.32686257e-03] [ 7.91258357e-03 -5.01753921e-03 3.32686257e-03] [ 5.01753921e-03 -7.91258357e-03 -3.32686257e-03] [ 5.01753921e-03 -7.91258357e-03 3.32686257e-03] [-5.01753921e-03 7.91258357e-03 -3.32686257e-03] [-5.01753921e-03 7.91258357e-03 3.32686257e-03] [-3.05735263e-03 -3.05735263e-03 6.75015599e-14] [-1.97982680e-02 1.97982680e-02 5.11379133e-14] [ 1.97982680e-02 -1.97982680e-02 -2.49106291e-15] [ 3.05735263e-03 3.05735263e-03 1.91860416e-15] [-7.91258357e-03 5.01753921e-03 -3.32686257e-03] [ 7.91258357e-03 -5.01753921e-03 -3.32686257e-03] [-7.91258357e-03 5.01753921e-03 3.32686257e-03] [ 7.91258357e-03 -5.01753921e-03 3.32686257e-03] [ 5.01753921e-03 -7.91258357e-03 -3.32686257e-03] [ 5.01753921e-03 -7.91258357e-03 3.32686257e-03] [-5.01753921e-03 7.91258357e-03 -3.32686257e-03] [-5.01753921e-03 7.91258357e-03 3.32686257e-03] [-3.05735263e-03 -3.05735263e-03 5.54397522e-14] [-1.97982680e-02 1.97982680e-02 2.72511641e-14] [ 1.97982680e-02 -1.97982680e-02 1.25428801e-13] [ 3.05735263e-03 3.05735263e-03 1.22514845e-14]] Final stress: [ 9.33511522e-04 9.33511522e-04 -1.79851639e-04 6.79981488e-17 1.49264229e-17 -1.13263203e-03] Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-3.99486409e-04 5.39481654e-14 1.01585407e-13] [ 3.99486409e-04 -1.82076576e-14 2.91433544e-14] [-6.75462290e-14 1.42803972e-04 8.73229685e-05] [-1.24039667e-13 -1.42803972e-04 -8.73229684e-05] [-2.08453046e-14 8.73229685e-05 1.42803972e-04] [-2.07611706e-14 -8.73229684e-05 -1.42803972e-04] [-3.99486409e-04 3.15181908e-14 -7.28224752e-14] [ 3.99486409e-04 1.00141249e-14 -3.85080151e-15] [ 1.02973186e-14 1.42803972e-04 8.73229685e-05] [-1.62907882e-14 -1.42803972e-04 -8.73229685e-05] [ 8.80775487e-14 8.73229685e-05 1.42803972e-04] [ 4.63522450e-14 -8.73229684e-05 -1.42803972e-04] [-2.59826447e-04 4.85860938e-04 4.85860938e-04] [ 1.77053007e-04 -3.56839381e-04 3.56839381e-04] [ 1.77053006e-04 3.56839381e-04 -3.56839380e-04] [-2.59826447e-04 -4.85860938e-04 -4.85860938e-04] [-1.77053007e-04 3.56839380e-04 -3.56839380e-04] [ 2.59826447e-04 -4.85860938e-04 -4.85860938e-04] [-1.77053007e-04 -3.56839380e-04 3.56839380e-04] [ 2.59826447e-04 4.85860938e-04 4.85860938e-04] [-2.59826447e-04 4.85860938e-04 4.85860938e-04] [ 1.77053007e-04 -3.56839380e-04 3.56839381e-04] [ 1.77053007e-04 3.56839380e-04 -3.56839380e-04] [-2.59826447e-04 -4.85860938e-04 -4.85860938e-04] [-1.77053006e-04 3.56839381e-04 -3.56839380e-04] [ 2.59826447e-04 -4.85860938e-04 -4.85860938e-04] [-1.77053006e-04 -3.56839381e-04 3.56839381e-04] [ 2.59826447e-04 4.85860938e-04 4.85860938e-04] [-4.00401934e-13 -1.06747944e-13 -4.54802862e-13] [ 1.03231659e-13 3.65753649e-13 1.94685571e-13] [ 5.63216140e-13 2.49511979e-04 2.49511977e-04] [ 3.18087570e-13 -2.41958605e-04 2.41958602e-04] [ 1.18498961e-13 2.41958605e-04 -2.41958602e-04] [ 3.16267845e-13 -2.49511981e-04 -2.49511976e-04] [-1.72898254e-04 -1.44059528e-05 -1.52724599e-04] [-1.72898254e-04 1.44059522e-05 1.52724599e-04] [ 1.72898255e-04 -1.44059530e-05 -1.52724598e-04] [ 1.72898254e-04 1.44059523e-05 1.52724599e-04] [-1.72898250e-04 -1.52724603e-04 -1.44059529e-05] [ 1.72898251e-04 -1.52724602e-04 -1.44059524e-05] [-1.72898251e-04 1.52724602e-04 1.44059528e-05] [ 1.72898251e-04 1.52724602e-04 1.44059531e-05] [-4.38880269e-13 2.49511977e-04 2.49511979e-04] [-3.31246315e-13 -2.41958602e-04 2.41958606e-04] [-2.97907966e-13 2.41958602e-04 -2.41958606e-04] [-4.63349411e-13 -2.49511976e-04 -2.49511981e-04] [-1.72898251e-04 -1.44059522e-05 -1.52724602e-04] [-1.72898252e-04 1.44059529e-05 1.52724601e-04] [ 1.72898250e-04 -1.44059523e-05 -1.52724603e-04] [ 1.72898250e-04 1.44059528e-05 1.52724602e-04] [-1.72898255e-04 -1.52724598e-04 -1.44059535e-05] [ 1.72898254e-04 -1.52724599e-04 -1.44059532e-05] [-1.72898254e-04 1.52724599e-04 1.44059522e-05] [ 1.72898254e-04 1.52724599e-04 1.44059523e-05]] Final stress: [-4.32732256e-05 -1.47392877e-05 -1.47392877e-05 2.26160497e-03 3.65765447e-17 2.72661515e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-3.98854349e-04 4.32284417e-14 4.36989854e-14] [ 3.98854349e-04 7.25808302e-14 4.17443857e-14] [-2.13149810e-14 1.16270718e-04 -1.05356206e-04] [-6.21724894e-15 -1.16270718e-04 1.05356206e-04] [ 2.11315340e-14 -1.05356206e-04 1.16270718e-04] [-4.95437025e-14 1.05356206e-04 -1.16270718e-04] [-3.98854349e-04 -3.21500639e-14 -4.95674465e-14] [ 3.98854349e-04 -3.36952688e-14 1.77231480e-15] [-7.71999652e-14 1.16270718e-04 -1.05356206e-04] [-9.67980036e-14 -1.16270718e-04 1.05356206e-04] [-4.59116252e-14 -1.05356206e-04 1.16270718e-04] [-5.98219391e-15 1.05356206e-04 -1.16270718e-04] [-1.90915760e-04 3.01065798e-04 3.01065798e-04] [ 2.21523623e-04 -5.41694676e-04 5.41694676e-04] [ 2.21523623e-04 5.41694676e-04 -5.41694676e-04] [-1.90915760e-04 -3.01065798e-04 -3.01065798e-04] [-2.21523623e-04 5.41694676e-04 -5.41694676e-04] [ 1.90915760e-04 -3.01065798e-04 -3.01065798e-04] [-2.21523623e-04 -5.41694676e-04 5.41694676e-04] [ 1.90915760e-04 3.01065798e-04 3.01065798e-04] [-1.90915760e-04 3.01065798e-04 3.01065798e-04] [ 2.21523623e-04 -5.41694676e-04 5.41694676e-04] [ 2.21523623e-04 5.41694676e-04 -5.41694676e-04] [-1.90915760e-04 -3.01065798e-04 -3.01065798e-04] [-2.21523623e-04 5.41694676e-04 -5.41694676e-04] [ 1.90915760e-04 -3.01065798e-04 -3.01065798e-04] [-2.21523623e-04 -5.41694676e-04 5.41694676e-04] [ 1.90915760e-04 3.01065798e-04 3.01065798e-04] [-1.70835568e-13 7.80209231e-14 -2.42916798e-13] [ 1.59566804e-13 -3.34796827e-13 5.32569882e-14] [ 2.10387263e-13 2.50122727e-04 2.50122726e-04] [ 3.16156823e-13 -2.46261756e-04 2.46261754e-04] [ 3.42462170e-13 2.46261756e-04 -2.46261754e-04] [ 2.74173045e-13 -2.50122728e-04 -2.50122726e-04] [-1.90080670e-04 8.67976987e-07 -1.30319497e-04] [-1.90080670e-04 -8.67977595e-07 1.30319498e-04] [ 1.90080671e-04 8.67977062e-07 -1.30319497e-04] [ 1.90080670e-04 -8.67977691e-07 1.30319497e-04] [-1.90080668e-04 -1.30319499e-04 8.67977669e-07] [ 1.90080669e-04 -1.30319499e-04 8.67977673e-07] [-1.90080669e-04 1.30319499e-04 -8.67977335e-07] [ 1.90080669e-04 1.30319498e-04 -8.67977440e-07] [-1.89682037e-13 2.50122726e-04 2.50122727e-04] [-4.01908975e-13 -2.46261754e-04 2.46261756e-04] [-4.52528640e-13 2.46261754e-04 -2.46261755e-04] [-3.04027203e-13 -2.50122725e-04 -2.50122728e-04] [-1.90080669e-04 8.67977621e-07 -1.30319499e-04] [-1.90080669e-04 -8.67977416e-07 1.30319498e-04] [ 1.90080669e-04 8.67977581e-07 -1.30319499e-04] [ 1.90080669e-04 -8.67977405e-07 1.30319499e-04] [-1.90080671e-04 -1.30319497e-04 8.67977169e-07] [ 1.90080670e-04 -1.30319497e-04 8.67977392e-07] [-1.90080670e-04 1.30319497e-04 -8.67977756e-07] [ 1.90080670e-04 1.30319498e-04 -8.67977487e-07]] Final stress: [-4.32631666e-05 -1.48773661e-05 -1.48773661e-05 -2.26150598e-03 -3.32514043e-17 -1.16379915e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.10422824e-04 3.59075475e-04 1.74524888e-04] [-3.10422825e-04 -3.59075475e-04 -1.74524888e-04] [ 3.59075475e-04 3.10422825e-04 1.74524888e-04] [-3.59075475e-04 -3.10422825e-04 -1.74524888e-04] [-3.17300336e-04 -3.17300336e-04 -3.38801144e-04] [ 3.17300336e-04 3.17300336e-04 3.38801142e-04] [ 3.10422826e-04 3.59075475e-04 1.74524888e-04] [-3.10422824e-04 -3.59075475e-04 -1.74524888e-04] [ 3.59075475e-04 3.10422824e-04 1.74524888e-04] [-3.59075475e-04 -3.10422825e-04 -1.74524888e-04] [-3.17300336e-04 -3.17300336e-04 -3.38801142e-04] [ 3.17300336e-04 3.17300336e-04 3.38801144e-04] [-3.85998686e-06 -3.85998707e-06 1.11685568e-05] [ 6.64454240e-04 6.64454241e-04 1.48883849e-04] [-1.85579743e-04 3.34741512e-05 1.18883546e-05] [ 3.34741518e-05 -1.85579744e-04 1.18883538e-05] [-6.64454241e-04 -6.64454241e-04 -1.48883849e-04] [ 3.85998817e-06 3.85998817e-06 -1.11685561e-05] [ 1.85579745e-04 -3.34741527e-05 -1.18883533e-05] [-3.34741518e-05 1.85579744e-04 -1.18883539e-05] [-3.85998807e-06 -3.85998789e-06 1.11685559e-05] [ 6.64454241e-04 6.64454241e-04 1.48883849e-04] [-1.85579745e-04 3.34741524e-05 1.18883533e-05] [ 3.34741521e-05 -1.85579744e-04 1.18883541e-05] [-6.64454241e-04 -6.64454240e-04 -1.48883849e-04] [ 3.85998706e-06 3.85998675e-06 -1.11685566e-05] [ 1.85579744e-04 -3.34741511e-05 -1.18883545e-05] [-3.34741517e-05 1.85579744e-04 -1.18883540e-05] [ 1.02431952e-12 -2.52797783e-13 1.57199254e-12] [-1.67057644e-12 3.97467795e-13 -1.72502517e-12] [ 3.35581089e-04 -1.38610700e-04 5.07145217e-04] [-6.99806908e-05 -4.79705829e-04 -2.85012369e-04] [ 6.99806865e-05 4.79705826e-04 2.85012367e-04] [-3.35581093e-04 1.38610706e-04 -5.07145223e-04] [-1.38610693e-04 3.35581091e-04 5.07145211e-04] [ 4.79705833e-04 6.99806884e-05 2.85012374e-04] [-4.79705840e-04 -6.99806879e-05 -2.85012381e-04] [ 1.38610693e-04 -3.35581089e-04 -5.07145210e-04] [-2.33312360e-04 -2.33312345e-04 8.77560810e-05] [-1.39007521e-04 1.39007529e-04 -1.92512326e-12] [ 1.39007519e-04 -1.39007531e-04 -2.43462195e-12] [ 2.33312355e-04 2.33312350e-04 -8.77560852e-05] [ 3.35581092e-04 -1.38610696e-04 5.07145213e-04] [-6.99806862e-05 -4.79705835e-04 -2.85012377e-04] [ 6.99806901e-05 4.79705838e-04 2.85012378e-04] [-3.35581089e-04 1.38610691e-04 -5.07145208e-04] [-1.38610703e-04 3.35581090e-04 5.07145219e-04] [ 4.79705831e-04 6.99806872e-05 2.85012372e-04] [-4.79705823e-04 -6.99806893e-05 -2.85012364e-04] [ 1.38610702e-04 -3.35581092e-04 -5.07145220e-04] [-2.33312345e-04 -2.33312360e-04 8.77560848e-05] [-1.39007528e-04 1.39007522e-04 2.17932313e-12] [ 1.39007530e-04 -1.39007519e-04 2.31196659e-12] [ 2.33312350e-04 2.33312355e-04 -8.77560809e-05]] Final stress: [-1.92349136e-05 -1.92349136e-05 -5.73508667e-09 1.13091110e-03 1.13091110e-03 -4.19106179e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 3.00449957e-04 -7.60031185e-04 -2.01474072e-04] [-3.00449959e-04 7.60031185e-04 2.01474072e-04] [-7.60031185e-04 3.00449958e-04 2.01474072e-04] [ 7.60031185e-04 -3.00449957e-04 -2.01474072e-04] [ 4.18066134e-04 -4.18066134e-04 -5.16039557e-05] [-4.18066134e-04 4.18066134e-04 5.16039545e-05] [ 3.00449959e-04 -7.60031185e-04 -2.01474072e-04] [-3.00449957e-04 7.60031185e-04 2.01474072e-04] [-7.60031185e-04 3.00449957e-04 2.01474072e-04] [ 7.60031185e-04 -3.00449958e-04 -2.01474072e-04] [ 4.18066134e-04 -4.18066134e-04 -5.16039545e-05] [-4.18066134e-04 4.18066134e-04 5.16039556e-05] [ 3.60205653e-05 -2.65228460e-05 3.52775947e-04] [ 2.65228461e-05 -3.60205647e-05 3.52775947e-04] [ 3.05354490e-05 -3.05354489e-05 -8.86715887e-04] [-2.86778154e-04 2.86778153e-04 5.66018004e-04] [-2.65228465e-05 3.60205650e-05 -3.52775947e-04] [-3.60205647e-05 2.65228465e-05 -3.52775947e-04] [-3.05354479e-05 3.05354481e-05 8.86715888e-04] [ 2.86778153e-04 -2.86778154e-04 -5.66018005e-04] [ 3.60205651e-05 -2.65228464e-05 3.52775947e-04] [ 2.65228462e-05 -3.60205647e-05 3.52775947e-04] [ 3.05354480e-05 -3.05354480e-05 -8.86715888e-04] [-2.86778154e-04 2.86778153e-04 5.66018005e-04] [-2.65228462e-05 3.60205648e-05 -3.52775947e-04] [-3.60205650e-05 2.65228458e-05 -3.52775947e-04] [-3.05354491e-05 3.05354491e-05 8.86715887e-04] [ 2.86778153e-04 -2.86778153e-04 -5.66018004e-04] [ 1.17977850e-12 -8.34526892e-13 8.38329406e-13] [-1.02728980e-12 2.51723261e-13 -8.13292879e-13] [-2.31182898e-04 1.32167096e-04 5.13764207e-04] [ 9.20452975e-06 -2.97086642e-04 -3.79562782e-04] [-9.20453257e-06 2.97086640e-04 3.79562781e-04] [ 2.31182895e-04 -1.32167092e-04 -5.13764211e-04] [ 2.97086615e-04 -9.20453081e-06 -3.79562754e-04] [ 1.32167064e-04 -2.31182896e-04 -5.13764239e-04] [-1.32167070e-04 2.31182897e-04 5.13764234e-04] [-2.97086615e-04 9.20453241e-06 3.79562756e-04] [ 5.10328538e-04 5.10328515e-04 -5.03708186e-13] [ 7.80105393e-04 -7.80105422e-04 -5.66328495e-04] [-7.80105394e-04 7.80105420e-04 5.66328493e-04] [-5.10328542e-04 -5.10328510e-04 -1.65758726e-12] [-2.31182895e-04 1.32167065e-04 5.13764238e-04] [ 9.20453298e-06 -2.97086615e-04 -3.79562755e-04] [-9.20452954e-06 2.97086615e-04 3.79562755e-04] [ 2.31182898e-04 -1.32167069e-04 -5.13764235e-04] [ 2.97086641e-04 -9.20453183e-06 -3.79562782e-04] [ 1.32167097e-04 -2.31182898e-04 -5.13764206e-04] [-1.32167092e-04 2.31182896e-04 5.13764212e-04] [-2.97086642e-04 9.20453010e-06 3.79562782e-04] [ 5.10328515e-04 5.10328537e-04 1.05489763e-12] [ 7.80105421e-04 -7.80105393e-04 -5.66328493e-04] [-7.80105420e-04 7.80105395e-04 5.66328496e-04] [-5.10328511e-04 -5.10328542e-04 1.74725512e-12]] Final stress: [-2.16807699e-05 -2.16807699e-05 3.58015435e-06 1.13113470e-03 -1.13113470e-03 1.73306133e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 9.38317155e-04 -2.17825012e-03 3.70654931e-04] [-9.38317159e-04 2.17825012e-03 -3.70654931e-04] [-2.17825012e-03 9.38317158e-04 -3.70654931e-04] [ 2.17825012e-03 -9.38317157e-04 3.70654931e-04] [-1.32562621e-03 1.32562621e-03 2.75372195e-05] [ 1.32562621e-03 -1.32562621e-03 -2.75372204e-05] [ 9.38317159e-04 -2.17825012e-03 3.70654931e-04] [-9.38317155e-04 2.17825012e-03 -3.70654931e-04] [-2.17825012e-03 9.38317157e-04 -3.70654931e-04] [ 2.17825012e-03 -9.38317156e-04 3.70654931e-04] [-1.32562621e-03 1.32562621e-03 2.75372222e-05] [ 1.32562621e-03 -1.32562621e-03 -2.75372190e-05] [-3.39192296e-04 3.50057731e-04 6.93929395e-04] [-3.50057729e-04 3.39192297e-04 6.93929393e-04] [ 1.16277815e-03 -1.16277815e-03 2.03289442e-03] [ 1.77075916e-04 -1.77075917e-04 -3.08534977e-03] [ 3.50057730e-04 -3.39192297e-04 -6.93929395e-04] [ 3.39192298e-04 -3.50057728e-04 -6.93929392e-04] [-1.16277815e-03 1.16277815e-03 -2.03289441e-03] [-1.77075916e-04 1.77075916e-04 3.08534977e-03] [-3.39192298e-04 3.50057728e-04 6.93929393e-04] [-3.50057730e-04 3.39192295e-04 6.93929394e-04] [ 1.16277815e-03 -1.16277815e-03 2.03289442e-03] [ 1.77075916e-04 -1.77075916e-04 -3.08534977e-03] [ 3.50057730e-04 -3.39192298e-04 -6.93929393e-04] [ 3.39192296e-04 -3.50057731e-04 -6.93929394e-04] [-1.16277815e-03 1.16277815e-03 -2.03289442e-03] [-1.77075917e-04 1.77075917e-04 3.08534977e-03] [ 3.95244948e-12 -3.69398956e-13 6.43429754e-13] [-4.39834974e-12 -8.49203189e-13 -2.48544130e-12] [-1.39725285e-04 6.08084843e-04 -1.22390189e-03] [ 4.10769127e-04 -4.34781003e-04 1.68553859e-03] [-4.10769137e-04 4.34780999e-04 -1.68553859e-03] [ 1.39725274e-04 -6.08084842e-04 1.22390189e-03] [ 4.34781055e-04 -4.10769134e-04 1.68553854e-03] [ 6.08084891e-04 -1.39725280e-04 1.22390194e-03] [-6.08084903e-04 1.39725279e-04 -1.22390195e-03] [-4.34781060e-04 4.10769133e-04 -1.68553853e-03] [ 1.35000653e-03 1.35000659e-03 -1.64379621e-12] [ 1.96575108e-03 -1.96575104e-03 1.73646468e-03] [-1.96575109e-03 1.96575102e-03 -1.73646468e-03] [-1.35000654e-03 -1.35000658e-03 -2.79513565e-12] [-1.39725274e-04 6.08084895e-04 -1.22390194e-03] [ 4.10769138e-04 -4.34781054e-04 1.68553854e-03] [-4.10769128e-04 4.34781059e-04 -1.68553853e-03] [ 1.39725285e-04 -6.08084897e-04 1.22390195e-03] [ 4.34781004e-04 -4.10769132e-04 1.68553859e-03] [ 6.08084849e-04 -1.39725280e-04 1.22390190e-03] [-6.08084837e-04 1.39725281e-04 -1.22390189e-03] [-4.34780998e-04 4.10769132e-04 -1.68553860e-03] [ 1.35000659e-03 1.35000653e-03 3.83658688e-13] [ 1.96575103e-03 -1.96575108e-03 1.73646468e-03] [-1.96575102e-03 1.96575109e-03 -1.73646468e-03] [-1.35000659e-03 -1.35000654e-03 2.00648222e-12]] Final stress: [-3.83650933e-05 -3.83650933e-05 2.70671295e-05 -1.13128447e-03 1.13128447e-03 -1.04977656e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 5.05292416e-03 9.46390422e-03 -3.51183883e-04] [-5.05292417e-03 -9.46390422e-03 3.51183882e-04] [ 9.46390422e-03 5.05292416e-03 -3.51183881e-04] [-9.46390422e-03 -5.05292416e-03 3.51183884e-04] [ 6.94766163e-03 6.94766163e-03 1.06557855e-03] [-6.94766163e-03 -6.94766162e-03 -1.06557856e-03] [ 5.05292417e-03 9.46390422e-03 -3.51183882e-04] [-5.05292416e-03 -9.46390422e-03 3.51183880e-04] [ 9.46390422e-03 5.05292417e-03 -3.51183883e-04] [-9.46390422e-03 -5.05292416e-03 3.51183883e-04] [ 6.94766163e-03 6.94766163e-03 1.06557857e-03] [-6.94766163e-03 -6.94766163e-03 -1.06557855e-03] [ 2.43218449e-03 2.43218449e-03 1.79581540e-02] [ 7.54409725e-03 7.54409725e-03 -1.16560074e-02] [-3.30004920e-03 -3.46212059e-03 -9.35498803e-04] [-3.46212059e-03 -3.30004921e-03 -9.35498808e-04] [-7.54409725e-03 -7.54409725e-03 1.16560074e-02] [-2.43218447e-03 -2.43218448e-03 -1.79581540e-02] [ 3.30004921e-03 3.46212058e-03 9.35498812e-04] [ 3.46212058e-03 3.30004920e-03 9.35498805e-04] [ 2.43218448e-03 2.43218448e-03 1.79581540e-02] [ 7.54409725e-03 7.54409725e-03 -1.16560074e-02] [-3.30004921e-03 -3.46212058e-03 -9.35498812e-04] [-3.46212058e-03 -3.30004920e-03 -9.35498806e-04] [-7.54409725e-03 -7.54409725e-03 1.16560074e-02] [-2.43218449e-03 -2.43218449e-03 -1.79581540e-02] [ 3.30004920e-03 3.46212059e-03 9.35498799e-04] [ 3.46212058e-03 3.30004921e-03 9.35498810e-04] [ 1.10647047e-11 -1.13198340e-12 5.07427433e-12] [-1.46022925e-11 -6.64561374e-12 -1.42712952e-11] [ 1.43786603e-03 2.74602254e-03 -7.94754903e-03] [ 4.95084491e-05 -3.82476892e-03 7.72213272e-03] [-4.95084969e-05 3.82476887e-03 -7.72213276e-03] [-1.43786608e-03 -2.74602249e-03 7.94754899e-03] [ 2.74602237e-03 1.43786606e-03 -7.94754885e-03] [ 3.82476868e-03 -4.95084811e-05 -7.72213295e-03] [-3.82476877e-03 4.95084727e-05 7.72213287e-03] [-2.74602235e-03 -1.43786606e-03 7.94754886e-03] [-6.32234178e-03 -6.32234192e-03 8.80963420e-03] [-5.01751183e-03 5.01751162e-03 -2.42578683e-11] [ 5.01751180e-03 -5.01751167e-03 -2.12118621e-11] [ 6.32234174e-03 6.32234197e-03 -8.80963425e-03] [ 1.43786608e-03 2.74602233e-03 -7.94754883e-03] [ 4.95084974e-05 -3.82476870e-03 7.72213293e-03] [-4.95084550e-05 3.82476875e-03 -7.72213289e-03] [-1.43786604e-03 -2.74602238e-03 7.94754887e-03] [ 2.74602252e-03 1.43786605e-03 -7.94754902e-03] [ 3.82476894e-03 -4.95084765e-05 -7.72213270e-03] [-3.82476885e-03 4.95084711e-05 7.72213279e-03] [-2.74602253e-03 -1.43786606e-03 7.94754901e-03] [-6.32234192e-03 -6.32234179e-03 8.80963425e-03] [-5.01751163e-03 5.01751184e-03 3.06592963e-11] [ 5.01751167e-03 -5.01751179e-03 1.57352057e-11] [ 6.32234195e-03 6.32234175e-03 -8.80963420e-03]] Final stress: [-1.30618411e-04 -1.30618411e-04 1.47345719e-04 -1.13008879e-03 -1.13008879e-03 7.53751671e-05] Minimization converged after 56 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.02428904e-04 -1.74000881e-04 -3.70277194e-04] [-3.02428906e-04 1.74000881e-04 3.70277194e-04] [ 3.15720897e-04 -3.25345655e-04 -3.15720897e-04] [-3.15720897e-04 3.25345654e-04 3.15720897e-04] [-3.70277194e-04 1.74000881e-04 3.02428904e-04] [ 3.70277194e-04 -1.74000881e-04 -3.02428905e-04] [ 3.02428906e-04 -1.74000881e-04 -3.70277194e-04] [-3.02428903e-04 1.74000881e-04 3.70277194e-04] [ 3.15720897e-04 -3.25345653e-04 -3.15720897e-04] [-3.15720897e-04 3.25345654e-04 3.15720897e-04] [-3.70277194e-04 1.74000881e-04 3.02428905e-04] [ 3.70277194e-04 -1.74000881e-04 -3.02428904e-04] [ 3.08682230e-05 1.15159552e-05 1.79322962e-04] [ 6.41172906e-04 -1.55202979e-04 -6.41172906e-04] [-1.79322961e-04 1.15159538e-05 -3.08682220e-05] [ 1.15187008e-06 -1.61470690e-06 -1.15187026e-06] [-6.41172905e-04 1.55202980e-04 6.41172905e-04] [-3.08682215e-05 -1.15159538e-05 -1.79322961e-04] [ 1.79322962e-04 -1.15159547e-05 3.08682228e-05] [-1.15187059e-06 1.61470662e-06 1.15187002e-06] [ 3.08682218e-05 1.15159538e-05 1.79322961e-04] [ 6.41172906e-04 -1.55202980e-04 -6.41172905e-04] [-1.79322962e-04 1.15159547e-05 -3.08682226e-05] [ 1.15187042e-06 -1.61470654e-06 -1.15187027e-06] [-6.41172906e-04 1.55202979e-04 6.41172906e-04] [-3.08682230e-05 -1.15159548e-05 -1.79322962e-04] [ 1.79322961e-04 -1.15159540e-05 3.08682221e-05] [-1.15187019e-06 1.61470660e-06 1.15187048e-06] [ 1.38400402e-12 9.63812363e-13 1.08094089e-12] [-1.77017038e-12 -1.47008680e-12 -7.51809283e-13] [-3.35690685e-04 4.96823737e-04 -1.28596037e-04] [-6.42445473e-05 2.82035321e-04 4.69979050e-04] [ 6.42445433e-05 -2.82035322e-04 -4.69979051e-04] [ 3.35690680e-04 -4.96823736e-04 1.28596036e-04] [ 1.58463729e-04 -2.02837747e-13 1.58463759e-04] [-2.58694234e-04 -7.36086141e-05 2.58694200e-04] [ 2.58694227e-04 7.36086153e-05 -2.58694207e-04] [-1.58463732e-04 3.31431063e-13 -1.58463754e-04] [ 4.69979075e-04 -2.82035346e-04 -6.42445458e-05] [ 1.28596009e-04 4.96823709e-04 3.35690683e-04] [-1.28596011e-04 -4.96823711e-04 -3.35690684e-04] [-4.69979079e-04 2.82035350e-04 6.42445445e-05] [-3.35690681e-04 4.96823708e-04 -1.28596008e-04] [-6.42445427e-05 2.82035348e-04 4.69979077e-04] [ 6.42445470e-05 -2.82035348e-04 -4.69979077e-04] [ 3.35690685e-04 -4.96823711e-04 1.28596011e-04] [ 1.58463758e-04 2.70323620e-14 1.58463729e-04] [-2.58694202e-04 -7.36086144e-05 2.58694232e-04] [ 2.58694205e-04 7.36086142e-05 -2.58694228e-04] [-1.58463756e-04 1.61235608e-13 -1.58463732e-04] [ 4.69979054e-04 -2.82035325e-04 -6.42445442e-05] [ 1.28596039e-04 4.96823739e-04 3.35690684e-04] [-1.28596035e-04 -4.96823734e-04 -3.35690683e-04] [-4.69979048e-04 2.82035319e-04 6.42445465e-05]] Final stress: [-1.92521655e-05 -2.93097413e-08 -1.92521655e-05 1.13091378e-03 4.16375125e-06 -1.13091378e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 7.13679854e-04 3.33743240e-04 -1.39400381e-03] [-7.13679857e-04 -3.33743240e-04 1.39400381e-03] [-8.75795214e-04 -1.95204766e-04 8.75795214e-04] [ 8.75795214e-04 1.95204768e-04 -8.75795213e-04] [-1.39400381e-03 -3.33743240e-04 7.13679854e-04] [ 1.39400381e-03 3.33743240e-04 -7.13679858e-04] [ 7.13679857e-04 3.33743240e-04 -1.39400381e-03] [-7.13679854e-04 -3.33743240e-04 1.39400381e-03] [-8.75795214e-04 -1.95204766e-04 8.75795214e-04] [ 8.75795214e-04 1.95204766e-04 -8.75795214e-04] [-1.39400381e-03 -3.33743240e-04 7.13679856e-04] [ 1.39400381e-03 3.33743240e-04 -7.13679855e-04] [-3.91592523e-05 3.04916454e-04 1.96588096e-04] [ 7.25227440e-04 1.13342219e-03 -7.25227441e-04] [-1.96588094e-04 3.04916452e-04 3.91592545e-05] [-2.78885950e-04 -1.79454985e-03 2.78885950e-04] [-7.25227441e-04 -1.13342219e-03 7.25227440e-04] [ 3.91592533e-05 -3.04916452e-04 -1.96588094e-04] [ 1.96588096e-04 -3.04916454e-04 -3.91592521e-05] [ 2.78885951e-04 1.79454985e-03 -2.78885951e-04] [-3.91592535e-05 3.04916452e-04 1.96588094e-04] [ 7.25227440e-04 1.13342219e-03 -7.25227440e-04] [-1.96588096e-04 3.04916454e-04 3.91592514e-05] [-2.78885951e-04 -1.79454985e-03 2.78885951e-04] [-7.25227440e-04 -1.13342219e-03 7.25227440e-04] [ 3.91592525e-05 -3.04916454e-04 -1.96588096e-04] [ 1.96588094e-04 -3.04916451e-04 -3.91592540e-05] [ 2.78885950e-04 1.79454985e-03 -2.78885950e-04] [ 2.92391111e-12 -2.02229899e-12 2.92085800e-12] [-2.30740514e-12 2.66895147e-13 -1.29146243e-12] [-1.69149007e-04 -7.55609389e-04 5.61974912e-04] [-3.72126854e-04 -1.33070502e-03 2.63363407e-05] [ 3.72126847e-04 1.33070501e-03 -2.63363442e-05] [ 1.69148999e-04 7.55609396e-04 -5.61974918e-04] [ 7.81571219e-04 -5.52557999e-13 7.81571198e-04] [-1.16552967e-03 -8.98461300e-04 1.16552969e-03] [ 1.16552966e-03 8.98461301e-04 -1.16552970e-03] [-7.81571225e-04 1.80610561e-12 -7.81571189e-04] [ 2.63363070e-05 1.33070505e-03 -3.72126851e-04] [-5.61974889e-04 -7.55609367e-04 1.69149003e-04] [ 5.61974884e-04 7.55609361e-04 -1.69149007e-04] [-2.63363172e-05 -1.33070504e-03 3.72126849e-04] [-1.69148999e-04 -7.55609367e-04 5.61974889e-04] [-3.72126845e-04 -1.33070505e-03 2.63363110e-05] [ 3.72126856e-04 1.33070505e-03 -2.63363118e-05] [ 1.69149009e-04 7.55609364e-04 -5.61974886e-04] [ 7.81571194e-04 -2.83275004e-13 7.81571221e-04] [-1.16552969e-03 -8.98461303e-04 1.16552967e-03] [ 1.16552970e-03 8.98461301e-04 -1.16552966e-03] [-7.81571192e-04 -2.65693240e-12 -7.81571224e-04] [ 2.63363461e-05 1.33070501e-03 -3.72126849e-04] [-5.61974912e-04 -7.55609389e-04 1.69149005e-04] [ 5.61974919e-04 7.55609397e-04 -1.69149000e-04] [-2.63363372e-05 -1.33070502e-03 3.72126853e-04]] Final stress: [-3.02035814e-05 1.57570353e-05 -3.02035814e-05 -1.13116911e-03 -4.50731193e-06 1.13116911e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.45712190e-04 -1.76736381e-04 3.08413413e-04] [-3.45712192e-04 1.76736381e-04 -3.08413413e-04] [ 3.23760789e-04 -3.98442888e-04 3.23760789e-04] [-3.23760789e-04 3.98442887e-04 -3.23760789e-04] [ 3.08413413e-04 -1.76736381e-04 3.45712190e-04] [-3.08413413e-04 1.76736381e-04 -3.45712192e-04] [ 3.45712192e-04 -1.76736381e-04 3.08413413e-04] [-3.45712189e-04 1.76736381e-04 -3.08413413e-04] [ 3.23760789e-04 -3.98442886e-04 3.23760789e-04] [-3.23760789e-04 3.98442888e-04 -3.23760789e-04] [ 3.08413413e-04 -1.76736381e-04 3.45712192e-04] [-3.08413413e-04 1.76736381e-04 -3.45712190e-04] [-7.67104833e-04 1.20650389e-04 -7.67104833e-04] [-4.47675934e-05 1.16563261e-04 2.13489262e-04] [ 2.67373143e-05 5.37185516e-05 2.67373145e-05] [ 2.13489262e-04 1.16563261e-04 -4.47675940e-05] [ 4.47675940e-05 -1.16563261e-04 -2.13489263e-04] [ 7.67104834e-04 -1.20650387e-04 7.67104835e-04] [-2.67373137e-05 -5.37185526e-05 -2.67373139e-05] [-2.13489263e-04 -1.16563261e-04 4.47675937e-05] [-7.67104834e-04 1.20650388e-04 -7.67104834e-04] [-4.47675940e-05 1.16563261e-04 2.13489263e-04] [ 2.67373139e-05 5.37185525e-05 2.67373136e-05] [ 2.13489263e-04 1.16563261e-04 -4.47675935e-05] [ 4.47675937e-05 -1.16563261e-04 -2.13489262e-04] [ 7.67104833e-04 -1.20650389e-04 7.67104833e-04] [-2.67373142e-05 -5.37185514e-05 -2.67373144e-05] [-2.13489263e-04 -1.16563261e-04 4.47675940e-05] [ 1.67069136e-12 7.52536922e-13 1.07883147e-12] [-2.18907748e-12 -1.81913493e-12 -1.43623247e-12] [ 9.56835711e-05 -2.97625688e-04 5.22172931e-04] [ 3.34224021e-04 -5.52815525e-04 -1.83395497e-04] [-3.34224026e-04 5.52815526e-04 1.83395498e-04] [-9.56835758e-05 2.97625691e-04 -5.22172935e-04] [-1.19455951e-04 -1.50271952e-04 -1.19456014e-04] [ 5.16458204e-05 2.14569508e-12 -5.16457587e-05] [-5.16458266e-05 -4.09535253e-13 5.16457520e-05] [ 1.19455948e-04 1.50271953e-04 1.19456018e-04] [ 5.22172864e-04 -2.97625621e-04 9.56835731e-05] [ 1.83395567e-04 5.52815594e-04 -3.34224022e-04] [-1.83395568e-04 -5.52815595e-04 3.34224021e-04] [-5.22172869e-04 2.97625626e-04 -9.56835754e-05] [ 9.56835764e-05 -2.97625626e-04 5.22172869e-04] [ 3.34224023e-04 -5.52815594e-04 -1.83395567e-04] [-3.34224019e-04 5.52815594e-04 1.83395566e-04] [-9.56835719e-05 2.97625622e-04 -5.22172865e-04] [-1.19456016e-04 -1.50271954e-04 -1.19455950e-04] [ 5.16457572e-05 -2.32712547e-12 -5.16458217e-05] [-5.16457533e-05 5.93022593e-13 5.16458264e-05] [ 1.19456017e-04 1.50271952e-04 1.19455948e-04] [ 5.22172936e-04 -2.97625693e-04 9.56835746e-05] [ 1.83395499e-04 5.52815527e-04 -3.34224023e-04] [-1.83395497e-04 -5.52815523e-04 3.34224024e-04] [-5.22172929e-04 2.97625686e-04 -9.56835729e-05]] Final stress: [-1.91457356e-05 8.41700105e-08 -1.91457356e-05 -1.13089830e-03 -4.31910023e-06 -1.13089830e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.33356567e-04 3.97295044e-14 1.00467800e-04] [-1.33356567e-04 -2.37865283e-14 -1.00467800e-04] [-3.98600424e-14 -3.99330646e-04 9.13240837e-14] [-8.27948821e-14 3.99330646e-04 1.69225745e-13] [ 1.00467800e-04 3.65935580e-14 1.33356568e-04] [-1.00467800e-04 3.81639165e-14 -1.33356567e-04] [ 1.33356567e-04 -7.42691499e-14 1.00467800e-04] [-1.33356567e-04 -1.34261959e-13 -1.00467800e-04] [ 5.77034080e-14 -3.99330646e-04 -1.77185503e-14] [ 2.74572032e-14 3.99330646e-04 -7.91852037e-14] [ 1.00467800e-04 6.44252764e-14 1.33356567e-04] [-1.00467800e-04 3.37846413e-15 -1.33356567e-04] [ 5.05528714e-04 -2.53943148e-04 5.05528714e-04] [-3.36989660e-04 1.73737347e-04 3.36989660e-04] [-5.05528714e-04 -2.53943148e-04 -5.05528715e-04] [ 3.36989660e-04 1.73737347e-04 -3.36989660e-04] [ 3.36989660e-04 -1.73737347e-04 -3.36989660e-04] [-5.05528715e-04 2.53943148e-04 -5.05528715e-04] [ 5.05528714e-04 2.53943148e-04 5.05528714e-04] [-3.36989660e-04 -1.73737347e-04 3.36989660e-04] [ 5.05528714e-04 -2.53943148e-04 5.05528714e-04] [-3.36989660e-04 1.73737347e-04 3.36989660e-04] [-5.05528714e-04 -2.53943148e-04 -5.05528714e-04] [ 3.36989660e-04 1.73737347e-04 -3.36989660e-04] [ 3.36989660e-04 -1.73737347e-04 -3.36989660e-04] [-5.05528714e-04 2.53943148e-04 -5.05528714e-04] [ 5.05528714e-04 2.53943148e-04 5.05528715e-04] [-3.36989660e-04 -1.73737347e-04 3.36989660e-04] [-1.27342581e-13 2.92099678e-13 -2.82829316e-13] [ 2.56404273e-13 -6.71249546e-14 1.82586724e-13] [ 3.69270171e-06 -1.87361439e-04 -1.35703567e-04] [ 3.69270177e-06 1.87361439e-04 -1.35703567e-04] [-3.69270117e-06 -1.87361438e-04 1.35703567e-04] [-3.69270108e-06 1.87361439e-04 1.35703567e-04] [ 2.29864321e-04 2.23265850e-13 2.29864320e-04] [ 2.65081110e-04 1.22880872e-13 -2.65081108e-04] [-2.65081109e-04 -6.82110618e-14 2.65081110e-04] [-2.29864321e-04 1.37124687e-13 -2.29864320e-04] [-1.35703568e-04 -1.87361438e-04 3.69270153e-06] [ 1.35703568e-04 -1.87361438e-04 -3.69270109e-06] [-1.35703567e-04 1.87361438e-04 3.69270164e-06] [ 1.35703568e-04 1.87361438e-04 -3.69270125e-06] [ 3.69270121e-06 -1.87361438e-04 -1.35703568e-04] [ 3.69270130e-06 1.87361438e-04 -1.35703568e-04] [-3.69270171e-06 -1.87361439e-04 1.35703567e-04] [-3.69270172e-06 1.87361438e-04 1.35703568e-04] [ 2.29864321e-04 -2.45838481e-14 2.29864321e-04] [ 2.65081109e-04 -1.26333406e-13 -2.65081110e-04] [-2.65081109e-04 -9.57584706e-14 2.65081110e-04] [-2.29864320e-04 -1.22493595e-13 -2.29864321e-04] [-1.35703567e-04 -1.87361439e-04 3.69270097e-06] [ 1.35703566e-04 -1.87361439e-04 -3.69270167e-06] [-1.35703567e-04 1.87361439e-04 3.69270096e-06] [ 1.35703567e-04 1.87361439e-04 -3.69270172e-06]] Final stress: [-1.48038694e-05 -4.32448182e-05 -1.48038694e-05 6.48402383e-17 2.26162425e-03 2.04496136e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.29207048e-04 -5.39485991e-14 -1.01662331e-04] [-1.29207048e-04 -4.07729406e-14 1.01662331e-04] [-7.44560663e-14 -3.99252342e-04 -1.06388856e-13] [ 3.94129174e-14 3.99252342e-04 -6.68076705e-14] [-1.01662331e-04 -1.71043735e-15 1.29207048e-04] [ 1.01662331e-04 -1.65700786e-14 -1.29207048e-04] [ 1.29207048e-04 8.02517774e-14 -1.01662331e-04] [-1.29207048e-04 -6.80440947e-14 1.01662331e-04] [-7.13448398e-15 -3.99252342e-04 -8.06727393e-15] [ 1.16070348e-14 3.99252342e-04 2.34608238e-14] [-1.01662331e-04 3.63711636e-14 1.29207049e-04] [ 1.01662331e-04 -2.40705609e-14 -1.29207048e-04] [ 3.28255528e-04 -1.77938242e-04 3.28255528e-04] [-5.14377547e-04 2.46043405e-04 5.14377548e-04] [-3.28255529e-04 -1.77938242e-04 -3.28255529e-04] [ 5.14377547e-04 2.46043405e-04 -5.14377548e-04] [ 5.14377547e-04 -2.46043405e-04 -5.14377547e-04] [-3.28255528e-04 1.77938242e-04 -3.28255529e-04] [ 3.28255528e-04 1.77938242e-04 3.28255528e-04] [-5.14377548e-04 -2.46043405e-04 5.14377547e-04] [ 3.28255529e-04 -1.77938242e-04 3.28255529e-04] [-5.14377547e-04 2.46043405e-04 5.14377547e-04] [-3.28255528e-04 -1.77938242e-04 -3.28255528e-04] [ 5.14377547e-04 2.46043405e-04 -5.14377548e-04] [ 5.14377547e-04 -2.46043405e-04 -5.14377547e-04] [-3.28255528e-04 1.77938242e-04 -3.28255528e-04] [ 3.28255529e-04 1.77938242e-04 3.28255529e-04] [-5.14377547e-04 -2.46043405e-04 5.14377547e-04] [-5.45952172e-13 4.61297667e-14 -5.20278265e-13] [ 7.00153911e-13 -1.80768626e-13 -1.10162059e-13] [-2.57547742e-06 -1.88019904e-04 -1.34409790e-04] [-2.57547750e-06 1.88019904e-04 -1.34409790e-04] [ 2.57547821e-06 -1.88019904e-04 1.34409790e-04] [ 2.57547843e-06 1.88019903e-04 1.34409790e-04] [ 2.61443480e-04 -8.92619312e-14 2.61443480e-04] [ 2.33872704e-04 -2.02046713e-13 -2.33872702e-04] [-2.33872702e-04 -7.64475289e-14 2.33872704e-04] [-2.61443480e-04 -6.56731614e-14 -2.61443480e-04] [-1.34409789e-04 -1.88019905e-04 -2.57547770e-06] [ 1.34409790e-04 -1.88019904e-04 2.57547785e-06] [-1.34409789e-04 1.88019905e-04 -2.57547767e-06] [ 1.34409790e-04 1.88019904e-04 2.57547826e-06] [-2.57547867e-06 -1.88019904e-04 -1.34409790e-04] [-2.57547856e-06 1.88019904e-04 -1.34409790e-04] [ 2.57547714e-06 -1.88019905e-04 1.34409789e-04] [ 2.57547708e-06 1.88019905e-04 1.34409789e-04] [ 2.61443480e-04 -4.82727798e-14 2.61443480e-04] [ 2.33872703e-04 7.92887891e-14 -2.33872704e-04] [-2.33872704e-04 -3.37733314e-14 2.33872702e-04] [-2.61443480e-04 -6.52104239e-14 -2.61443480e-04] [-1.34409790e-04 -1.88019903e-04 -2.57547852e-06] [ 1.34409789e-04 -1.88019905e-04 2.57547749e-06] [-1.34409790e-04 1.88019903e-04 -2.57547807e-06] [ 1.34409789e-04 1.88019905e-04 2.57547736e-06]] Final stress: [-1.48214905e-05 -4.32503000e-05 -1.48214905e-05 1.33005617e-17 -2.26159542e-03 -7.64782298e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-5.64610721e-05 -2.91493503e-04 -2.91493503e-04] [ 5.64610718e-05 2.91493503e-04 2.91493503e-04] [ 1.74769839e-04 2.09863115e-04 5.59928611e-04] [-1.74769839e-04 -2.09863115e-04 -5.59928611e-04] [ 1.74769839e-04 5.59928611e-04 2.09863114e-04] [-1.74769839e-04 -5.59928611e-04 -2.09863115e-04] [-5.64610718e-05 -2.91493503e-04 -2.91493503e-04] [ 5.64610719e-05 2.91493503e-04 2.91493503e-04] [ 1.74769839e-04 2.09863115e-04 5.59928611e-04] [-1.74769839e-04 -2.09863114e-04 -5.59928611e-04] [ 1.74769839e-04 5.59928611e-04 2.09863115e-04] [-1.74769839e-04 -5.59928611e-04 -2.09863114e-04] [-3.63051012e-04 -1.63744439e-04 -1.63744440e-04] [-3.03517378e-04 -1.34787792e-05 -4.40590453e-06] [-3.03517378e-04 -4.40590494e-06 -1.34787791e-05] [ 5.82328374e-04 5.49124936e-05 5.49124936e-05] [ 3.03517378e-04 1.34787791e-05 4.40590474e-06] [ 3.63051012e-04 1.63744440e-04 1.63744440e-04] [ 3.03517378e-04 4.40590442e-06 1.34787793e-05] [-5.82328374e-04 -5.49124933e-05 -5.49124935e-05] [-3.63051012e-04 -1.63744440e-04 -1.63744440e-04] [-3.03517378e-04 -1.34787791e-05 -4.40590464e-06] [-3.03517378e-04 -4.40590465e-06 -1.34787792e-05] [ 5.82328374e-04 5.49124935e-05 5.49124935e-05] [ 3.03517378e-04 1.34787793e-05 4.40590471e-06] [ 3.63051012e-04 1.63744439e-04 1.63744439e-04] [ 3.03517378e-04 4.40590470e-06 1.34787791e-05] [-5.82328374e-04 -5.49124936e-05 -5.49124934e-05] [ 3.11611847e-13 -7.83262344e-14 3.36924932e-13] [-2.03349924e-13 -8.93199335e-14 -3.58315248e-13] [-4.01272605e-04 -6.10942610e-04 -6.10942597e-04] [-2.69822359e-13 -3.92380192e-04 3.92380203e-04] [ 1.18825089e-13 3.92380190e-04 -3.92380205e-04] [ 4.01272604e-04 6.10942611e-04 6.10942597e-04] [ 3.68239602e-04 2.03336637e-04 7.39753995e-05] [-2.44152347e-04 8.45774086e-06 -2.33972164e-04] [ 2.44152346e-04 -8.45774122e-06 2.33972163e-04] [-3.68239601e-04 -2.03336637e-04 -7.39754005e-05] [ 3.68239589e-04 7.39754133e-05 2.03336637e-04] [ 2.44152359e-04 2.33972176e-04 -8.45774199e-06] [-2.44152360e-04 -2.33972177e-04 8.45774045e-06] [-3.68239589e-04 -7.39754132e-05 -2.03336638e-04] [-4.01272604e-04 -6.10942598e-04 -6.10942610e-04] [ 3.47840680e-13 -3.92380203e-04 3.92380192e-04] [ 3.25915510e-14 3.92380205e-04 -3.92380190e-04] [ 4.01272604e-04 6.10942597e-04 6.10942610e-04] [ 3.68239588e-04 2.03336638e-04 7.39754137e-05] [-2.44152358e-04 8.45774174e-06 -2.33972175e-04] [ 2.44152360e-04 -8.45774117e-06 2.33972177e-04] [-3.68239589e-04 -2.03336637e-04 -7.39754129e-05] [ 3.68239602e-04 7.39754002e-05 2.03336638e-04] [ 2.44152347e-04 2.33972164e-04 -8.45774039e-06] [-2.44152346e-04 -2.33972163e-04 8.45774169e-06] [-3.68239602e-04 -7.39753997e-05 -2.03336637e-04]] Final stress: [ 1.28165877e-07 -1.93040325e-05 -1.93040325e-05 -3.46542374e-06 1.13110206e-03 1.13110206e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-4.68917744e-05 3.17053146e-04 -3.17053146e-04] [ 4.68917732e-05 -3.17053146e-04 3.17053146e-04] [-1.68857484e-04 2.24467171e-04 -5.91752878e-04] [ 1.68857485e-04 -2.24467171e-04 5.91752878e-04] [ 1.68857485e-04 -5.91752878e-04 2.24467171e-04] [-1.68857485e-04 5.91752878e-04 -2.24467171e-04] [-4.68917731e-05 3.17053146e-04 -3.17053146e-04] [ 4.68917744e-05 -3.17053146e-04 3.17053146e-04] [-1.68857484e-04 2.24467171e-04 -5.91752878e-04] [ 1.68857485e-04 -2.24467171e-04 5.91752878e-04] [ 1.68857484e-04 -5.91752878e-04 2.24467171e-04] [-1.68857485e-04 5.91752878e-04 -2.24467171e-04] [ 3.06673179e-04 9.90078158e-06 -9.53507737e-06] [-6.58471379e-04 3.11875772e-05 -3.11875772e-05] [ 4.15378957e-04 -1.96449273e-04 1.96449273e-04] [ 3.06673179e-04 9.53507767e-06 -9.90078143e-06] [ 6.58471380e-04 -3.11875770e-05 3.11875769e-05] [-3.06673179e-04 -9.90078082e-06 9.53507819e-06] [-4.15378956e-04 1.96449273e-04 -1.96449273e-04] [-3.06673179e-04 -9.53507773e-06 9.90078107e-06] [ 3.06673179e-04 9.90078065e-06 -9.53507790e-06] [-6.58471380e-04 3.11875768e-05 -3.11875770e-05] [ 4.15378957e-04 -1.96449273e-04 1.96449273e-04] [ 3.06673179e-04 9.53507783e-06 -9.90078116e-06] [ 6.58471379e-04 -3.11875773e-05 3.11875772e-05] [-3.06673180e-04 -9.90078161e-06 9.53507740e-06] [-4.15378957e-04 1.96449273e-04 -1.96449273e-04] [-3.06673179e-04 -9.53507750e-06 9.90078137e-06] [ 9.82797177e-13 1.91457961e-13 4.81836793e-13] [-1.17114434e-12 -8.17732900e-14 -5.11795603e-13] [-1.47348800e-12 4.06683211e-04 4.06683223e-04] [-4.38148920e-04 6.34282718e-04 -6.34282708e-04] [ 4.38148918e-04 -6.34282720e-04 6.34282707e-04] [-1.07825728e-12 -4.06683211e-04 -4.06683223e-04] [ 3.91041576e-04 -1.96575707e-04 9.51989150e-05] [-2.74885406e-04 -4.75514193e-06 -2.33133101e-04] [ 2.74885403e-04 4.75514135e-06 2.33133097e-04] [-3.91041577e-04 1.96575706e-04 -9.51989130e-05] [-2.74885417e-04 2.33133112e-04 4.75514134e-06] [-3.91041566e-04 9.51989247e-05 -1.96575707e-04] [ 3.91041563e-04 -9.51989275e-05 1.96575706e-04] [ 2.74885415e-04 -2.33133110e-04 -4.75514227e-06] [ 1.40523530e-12 4.06683223e-04 4.06683211e-04] [-4.38148918e-04 6.34282708e-04 -6.34282719e-04] [ 4.38148921e-04 -6.34282707e-04 6.34282720e-04] [ 1.33924555e-12 -4.06683223e-04 -4.06683211e-04] [ 3.91041565e-04 -1.96575706e-04 9.51989252e-05] [-2.74885415e-04 -4.75514152e-06 -2.33133109e-04] [ 2.74885418e-04 4.75514210e-06 2.33133112e-04] [-3.91041564e-04 1.96575707e-04 -9.51989268e-05] [-2.74885404e-04 2.33133098e-04 4.75514226e-06] [-3.91041575e-04 9.51989158e-05 -1.96575706e-04] [ 3.91041578e-04 -9.51989121e-05 1.96575707e-04] [ 2.74885405e-04 -2.33133100e-04 -4.75514115e-06]] Final stress: [ 6.09771653e-07 -1.95950853e-05 -1.95950853e-05 3.20220869e-06 1.13111408e-03 -1.13111408e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.11165692e-04 -5.09162699e-04 5.09162699e-04] [ 1.11165691e-04 5.09162699e-04 -5.09162699e-04] [ 2.43904234e-04 3.98656670e-04 -8.91318908e-04] [-2.43904234e-04 -3.98656671e-04 8.91318908e-04] [-2.43904234e-04 -8.91318909e-04 3.98656669e-04] [ 2.43904234e-04 8.91318908e-04 -3.98656671e-04] [-1.11165690e-04 -5.09162699e-04 5.09162699e-04] [ 1.11165692e-04 5.09162699e-04 -5.09162699e-04] [ 2.43904234e-04 3.98656670e-04 -8.91318908e-04] [-2.43904234e-04 -3.98656671e-04 8.91318908e-04] [-2.43904234e-04 -8.91318909e-04 3.98656671e-04] [ 2.43904234e-04 8.91318908e-04 -3.98656670e-04] [ 3.19914793e-04 8.23501804e-06 6.57685846e-05] [ 6.45970015e-04 3.62797380e-04 -3.62797380e-04] [-1.01531324e-03 -1.53205237e-04 1.53205237e-04] [ 3.19914793e-04 -6.57685842e-05 -8.23501739e-06] [-6.45970016e-04 -3.62797380e-04 3.62797380e-04] [-3.19914792e-04 -8.23501699e-06 -6.57685835e-05] [ 1.01531324e-03 1.53205236e-04 -1.53205236e-04] [-3.19914793e-04 6.57685841e-05 8.23501751e-06] [ 3.19914792e-04 8.23501697e-06 6.57685836e-05] [ 6.45970015e-04 3.62797380e-04 -3.62797380e-04] [-1.01531324e-03 -1.53205236e-04 1.53205236e-04] [ 3.19914793e-04 -6.57685842e-05 -8.23501742e-06] [-6.45970015e-04 -3.62797380e-04 3.62797380e-04] [-3.19914793e-04 -8.23501812e-06 -6.57685847e-05] [ 1.01531324e-03 1.53205237e-04 -1.53205237e-04] [-3.19914792e-04 6.57685841e-05 8.23501770e-06] [ 1.19870780e-12 4.92217378e-13 1.44109724e-12] [-1.41738747e-12 1.50468252e-13 -6.86453217e-13] [-2.46080933e-12 5.60176422e-04 5.60176400e-04] [ 5.68092700e-04 8.48333989e-04 -8.48334013e-04] [-5.68092703e-04 -8.48333994e-04 8.48334008e-04] [-1.55004828e-12 -5.60176418e-04 -5.60176402e-04] [-3.99307913e-04 -6.51287516e-05 3.36161081e-04] [ 7.78718090e-04 2.79272998e-04 -4.33100244e-06] [-7.78718097e-04 -2.79272998e-04 4.33099526e-06] [ 3.99307914e-04 6.51287516e-05 -3.36161081e-04] [ 7.78718110e-04 4.33098234e-06 -2.79273000e-04] [ 3.99307895e-04 3.36161062e-04 -6.51287537e-05] [-3.99307897e-04 -3.36161065e-04 6.51287499e-05] [-7.78718115e-04 -4.33097742e-06 2.79272996e-04] [ 2.26506140e-12 5.60176399e-04 5.60176422e-04] [ 5.68092703e-04 8.48334012e-04 -8.48333991e-04] [-5.68092700e-04 -8.48334008e-04 8.48333993e-04] [ 1.50849602e-12 -5.60176404e-04 -5.60176417e-04] [-3.99307896e-04 -6.51287518e-05 3.36161063e-04] [ 7.78718117e-04 2.79272998e-04 -4.33097564e-06] [-7.78718109e-04 -2.79272998e-04 4.33098370e-06] [ 3.99307895e-04 6.51287520e-05 -3.36161063e-04] [ 7.78718094e-04 4.33099746e-06 -2.79272996e-04] [ 3.99307916e-04 3.36161084e-04 -6.51287492e-05] [-3.99307912e-04 -3.36161079e-04 6.51287535e-05] [-7.78718092e-04 -4.33100047e-06 2.79273000e-04]] Final stress: [ 6.00620330e-06 -2.34636705e-05 -2.34636705e-05 3.33745662e-07 -1.13113073e-03 1.13113073e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.36456227e-04 3.15908944e-04 3.15908944e-04] [ 1.36456227e-04 -3.15908944e-04 -3.15908944e-04] [-1.46424403e-04 1.99569427e-04 4.83371886e-04] [ 1.46424403e-04 -1.99569426e-04 -4.83371886e-04] [-1.46424404e-04 4.83371886e-04 1.99569426e-04] [ 1.46424403e-04 -4.83371886e-04 -1.99569427e-04] [-1.36456226e-04 3.15908944e-04 3.15908944e-04] [ 1.36456227e-04 -3.15908944e-04 -3.15908944e-04] [-1.46424404e-04 1.99569426e-04 4.83371886e-04] [ 1.46424403e-04 -1.99569426e-04 -4.83371886e-04] [-1.46424403e-04 4.83371886e-04 1.99569427e-04] [ 1.46424403e-04 -4.83371886e-04 -1.99569426e-04] [ 2.39131446e-04 -3.89297913e-04 -3.89297913e-04] [-2.36272046e-04 -3.08261263e-05 8.82420685e-05] [-2.36272045e-04 8.82420680e-05 -3.08261257e-05] [-1.24917334e-04 -6.27903417e-05 -6.27903420e-05] [ 2.36272045e-04 3.08261258e-05 -8.82420684e-05] [-2.39131445e-04 3.89297914e-04 3.89297914e-04] [ 2.36272046e-04 -8.82420687e-05 3.08261265e-05] [ 1.24917334e-04 6.27903422e-05 6.27903420e-05] [ 2.39131445e-04 -3.89297914e-04 -3.89297914e-04] [-2.36272045e-04 -3.08261259e-05 8.82420683e-05] [-2.36272046e-04 8.82420688e-05 -3.08261263e-05] [-1.24917334e-04 -6.27903421e-05 -6.27903420e-05] [ 2.36272046e-04 3.08261262e-05 -8.82420685e-05] [-2.39131446e-04 3.89297913e-04 3.89297913e-04] [ 2.36272045e-04 -8.82420679e-05 3.08261257e-05] [ 1.24917334e-04 6.27903420e-05 6.27903419e-05] [ 3.77253784e-13 -4.29989377e-13 1.32591160e-12] [-4.69703703e-13 -8.11333778e-14 -1.13799928e-12] [ 3.01985212e-05 -5.39937906e-04 -5.39937939e-04] [-2.35037337e-12 -3.27806650e-04 3.27806615e-04] [-9.56222948e-13 3.27806644e-04 -3.27806619e-04] [-3.01985244e-05 5.39937909e-04 5.39937937e-04] [ 1.70795985e-04 -6.92133462e-06 -5.66637450e-05] [ 8.50553657e-04 -3.44396534e-04 4.42890618e-04] [-8.50553663e-04 3.44396533e-04 -4.42890624e-04] [-1.70795984e-04 6.92133346e-06 5.66637452e-05] [ 1.70796013e-04 -5.66637729e-05 -6.92133562e-06] [-8.50553692e-04 -4.42890653e-04 3.44396531e-04] [ 8.50553688e-04 4.42890649e-04 -3.44396535e-04] [-1.70796015e-04 5.66637758e-05 6.92133167e-06] [ 3.01985243e-05 -5.39937939e-04 -5.39937907e-04] [ 1.94156193e-12 -3.27806615e-04 3.27806649e-04] [ 1.02898723e-12 3.27806619e-04 -3.27806645e-04] [-3.01985214e-05 5.39937936e-04 5.39937909e-04] [ 1.70796013e-04 -6.92133339e-06 -5.66637743e-05] [ 8.50553694e-04 -3.44396533e-04 4.42890655e-04] [-8.50553687e-04 3.44396533e-04 -4.42890648e-04] [-1.70796014e-04 6.92133395e-06 5.66637741e-05] [ 1.70795986e-04 -5.66637461e-05 -6.92133230e-06] [-8.50553658e-04 -4.42890619e-04 3.44396535e-04] [ 8.50553662e-04 4.42890623e-04 -3.44396532e-04] [-1.70795984e-04 5.66637440e-05 6.92133598e-06]] Final stress: [-2.05247087e-06 -1.84934445e-05 -1.84934445e-05 -3.92564056e-06 -1.13094360e-03 -1.13094360e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.22139076e-04 1.03687359e-04 -6.16911036e-14] [-1.22139076e-04 -1.03687359e-04 -1.01391118e-13] [ 1.03687359e-04 1.22139076e-04 4.42970313e-14] [-1.03687359e-04 -1.22139076e-04 1.22124533e-14] [-3.12805337e-14 2.07568338e-14 -3.99063467e-04] [-1.39804834e-13 -4.20219415e-14 3.99063467e-04] [ 1.22139076e-04 1.03687359e-04 -5.62965738e-14] [-1.22139076e-04 -1.03687359e-04 -3.21804113e-14] [ 1.03687359e-04 1.22139076e-04 -7.94987538e-14] [-1.03687359e-04 -1.22139076e-04 -6.93789586e-14] [ 1.40287088e-14 -6.25352160e-14 -3.99063468e-04] [ 6.21750915e-14 -1.41343077e-13 3.99063467e-04] [ 5.29351593e-04 5.29351593e-04 -2.32637301e-04] [-5.29351594e-04 -5.29351594e-04 -2.32637301e-04] [-3.13387242e-04 3.13387243e-04 1.85038856e-04] [ 3.13387243e-04 -3.13387242e-04 1.85038856e-04] [ 5.29351594e-04 5.29351594e-04 2.32637301e-04] [-5.29351594e-04 -5.29351594e-04 2.32637301e-04] [ 3.13387242e-04 -3.13387242e-04 -1.85038856e-04] [-3.13387243e-04 3.13387242e-04 -1.85038856e-04] [ 5.29351594e-04 5.29351594e-04 -2.32637301e-04] [-5.29351594e-04 -5.29351594e-04 -2.32637301e-04] [-3.13387242e-04 3.13387242e-04 1.85038856e-04] [ 3.13387242e-04 -3.13387242e-04 1.85038856e-04] [ 5.29351594e-04 5.29351593e-04 2.32637301e-04] [-5.29351594e-04 -5.29351593e-04 2.32637301e-04] [ 3.13387242e-04 -3.13387242e-04 -1.85038856e-04] [-3.13387242e-04 3.13387242e-04 -1.85038856e-04] [-3.02896597e-13 -2.57155408e-13 -4.56773508e-13] [ 6.50296657e-13 4.48055664e-13 3.62329432e-13] [ 6.87322868e-07 -1.32153775e-04 -1.89177934e-04] [-6.87322337e-07 1.32153775e-04 -1.89177934e-04] [ 6.87322524e-07 -1.32153774e-04 1.89177935e-04] [-6.87322306e-07 1.32153773e-04 1.89177935e-04] [-1.32153779e-04 6.87322484e-07 -1.89177930e-04] [-1.32153777e-04 6.87322443e-07 1.89177931e-04] [ 1.32153779e-04 -6.87322372e-07 -1.89177930e-04] [ 1.32153777e-04 -6.87322369e-07 1.89177931e-04] [ 2.40675780e-04 2.40675777e-04 6.14397422e-13] [-2.55242290e-04 2.55242287e-04 6.55907620e-13] [ 2.55242290e-04 -2.55242287e-04 6.37467509e-13] [-2.40675780e-04 -2.40675777e-04 7.33716907e-13] [ 6.87322386e-07 -1.32153777e-04 -1.89177931e-04] [-6.87322742e-07 1.32153777e-04 -1.89177931e-04] [ 6.87322291e-07 -1.32153778e-04 1.89177930e-04] [-6.87322750e-07 1.32153778e-04 1.89177930e-04] [-1.32153774e-04 6.87322258e-07 -1.89177935e-04] [-1.32153775e-04 6.87322211e-07 1.89177933e-04] [ 1.32153774e-04 -6.87322505e-07 -1.89177935e-04] [ 1.32153775e-04 -6.87322620e-07 1.89177934e-04] [ 2.40675776e-04 2.40675781e-04 -8.83154275e-13] [-2.55242286e-04 2.55242290e-04 -4.06038499e-13] [ 2.55242286e-04 -2.55242291e-04 -4.64596298e-13] [-2.40675777e-04 -2.40675780e-04 -6.32466735e-13]] Final stress: [-1.48518995e-05 -1.48518995e-05 -4.32579330e-05 2.32759830e-16 1.47968749e-16 2.26154631e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.41573525e-04 -7.03243930e-05 -1.09390361e-13] [-1.41573525e-04 7.03243931e-05 1.60704783e-14] [-7.03243929e-05 1.41573525e-04 -5.84185478e-14] [ 7.03243930e-05 -1.41573525e-04 -1.32033273e-13] [-2.98159934e-14 -1.66290592e-14 -3.99228758e-04] [-1.64673830e-13 5.02375919e-14 3.99228759e-04] [ 1.41573525e-04 -7.03243930e-05 5.88086311e-15] [-1.41573525e-04 7.03243930e-05 -4.31755913e-14] [-7.03243932e-05 1.41573525e-04 -2.39814548e-14] [ 7.03243931e-05 -1.41573525e-04 8.18206014e-14] [-3.80485574e-14 1.10249155e-13 -3.99228759e-04] [-9.01535790e-15 -9.19991283e-15 3.99228758e-04] [ 3.54251828e-04 3.54251828e-04 -1.99560584e-04] [-3.54251828e-04 -3.54251828e-04 -1.99560584e-04] [-4.88926710e-04 4.88926710e-04 2.37507145e-04] [ 4.88926710e-04 -4.88926710e-04 2.37507145e-04] [ 3.54251828e-04 3.54251828e-04 1.99560584e-04] [-3.54251828e-04 -3.54251828e-04 1.99560584e-04] [ 4.88926710e-04 -4.88926710e-04 -2.37507145e-04] [-4.88926710e-04 4.88926710e-04 -2.37507145e-04] [ 3.54251828e-04 3.54251828e-04 -1.99560584e-04] [-3.54251828e-04 -3.54251828e-04 -1.99560584e-04] [-4.88926710e-04 4.88926710e-04 2.37507145e-04] [ 4.88926710e-04 -4.88926710e-04 2.37507145e-04] [ 3.54251828e-04 3.54251828e-04 1.99560584e-04] [-3.54251828e-04 -3.54251828e-04 1.99560584e-04] [ 4.88926710e-04 -4.88926710e-04 -2.37507145e-04] [-4.88926710e-04 4.88926710e-04 -2.37507145e-04] [-1.63397074e-13 -5.11923837e-13 -4.51721993e-13] [ 4.61930841e-14 1.69436405e-15 1.16260811e-13] [ 4.89746866e-05 -1.75695261e-04 -1.51518473e-04] [-4.89746864e-05 1.75695261e-04 -1.51518473e-04] [ 4.89746868e-05 -1.75695260e-04 1.51518474e-04] [-4.89746862e-05 1.75695260e-04 1.51518474e-04] [-1.75695260e-04 4.89746867e-05 -1.51518474e-04] [-1.75695259e-04 4.89746867e-05 1.51518475e-04] [ 1.75695260e-04 -4.89746869e-05 -1.51518474e-04] [ 1.75695259e-04 -4.89746869e-05 1.51518475e-04] [ 1.88762069e-04 1.88762070e-04 5.08704190e-13] [-2.98328836e-04 2.98328838e-04 4.95716315e-13] [ 2.98328837e-04 -2.98328838e-04 9.49193849e-13] [-1.88762069e-04 -1.88762070e-04 3.59226537e-13] [ 4.89746866e-05 -1.75695259e-04 -1.51518475e-04] [-4.89746870e-05 1.75695259e-04 -1.51518475e-04] [ 4.89746865e-05 -1.75695260e-04 1.51518474e-04] [-4.89746869e-05 1.75695260e-04 1.51518474e-04] [-1.75695260e-04 4.89746863e-05 -1.51518473e-04] [-1.75695261e-04 4.89746864e-05 1.51518473e-04] [ 1.75695260e-04 -4.89746869e-05 -1.51518474e-04] [ 1.75695261e-04 -4.89746862e-05 1.51518473e-04] [ 1.88762069e-04 1.88762069e-04 -3.72853448e-13] [-2.98328838e-04 2.98328836e-04 -3.75184584e-13] [ 2.98328838e-04 -2.98328836e-04 -5.49255276e-13] [-1.88762070e-04 -1.88762069e-04 -5.56064743e-13]] Final stress: [-1.47049584e-05 -1.47049584e-05 -4.33375168e-05 -1.59606741e-16 -1.33005617e-17 -2.26145628e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.02074803e-01 2.23643586e-13 -1.13800462e-13] [-1.02074803e-01 1.64146474e-13 -1.39943612e-13] [ 1.13492982e-13 5.59286119e-02 -4.33464029e-15] [ 1.49102952e-13 -5.59286119e-02 -1.31672451e-13] [-1.39921495e-13 -4.83155183e-14 5.59286119e-02] [-2.06779038e-14 -6.25888230e-14 -5.59286119e-02] [ 1.02074803e-01 -6.81611885e-14 2.28449155e-14] [-1.02074803e-01 -3.92069190e-14 -8.68531178e-14] [-6.40325466e-14 5.59286119e-02 -6.44806408e-15] [-1.88575718e-13 -5.59286119e-02 -6.28936328e-16] [-2.58000218e-13 1.03899332e-13 5.59286119e-02] [ 1.50578335e-14 3.71896108e-15 -5.59286119e-02] [-2.35695528e-03 1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 -1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 -1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 1.48181842e-02 -1.48181842e-02] [ 2.35695528e-03 -1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 -1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 1.48181842e-02 1.48181842e-02] [-2.35695528e-03 1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 -1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 -1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 1.48181842e-02 -1.48181842e-02] [ 2.35695528e-03 -1.48181842e-02 -1.48181842e-02] [-2.35695528e-03 -1.48181842e-02 1.48181842e-02] [ 2.35695528e-03 1.48181842e-02 1.48181842e-02] [ 2.33785213e-13 -3.38173933e-13 3.94184685e-13] [ 1.81952977e-13 2.75273268e-13 1.15030077e-13] [-3.53161944e-13 3.77155613e-02 3.77155613e-02] [-7.01393804e-13 -3.77155613e-02 3.77155613e-02] [-6.44276299e-15 3.77155613e-02 -3.77155613e-02] [ 3.42112169e-13 -3.77155613e-02 -3.77155613e-02] [ 2.50761770e-02 -4.56301663e-14 1.31060303e-03] [ 2.50761770e-02 -2.29444935e-13 -1.31060303e-03] [-2.50761770e-02 -3.28860203e-13 1.31060303e-03] [-2.50761770e-02 -7.66452873e-14 -1.31060303e-03] [ 2.50761770e-02 1.31060303e-03 2.04614103e-13] [-2.50761770e-02 1.31060303e-03 -4.80143703e-13] [ 2.50761770e-02 -1.31060303e-03 3.99350691e-13] [-2.50761770e-02 -1.31060303e-03 -2.79058027e-13] [-9.03790931e-15 3.77155613e-02 3.77155613e-02] [-2.64363184e-13 -3.77155613e-02 3.77155613e-02] [ 3.70510914e-14 3.77155613e-02 -3.77155613e-02] [-2.69044335e-13 -3.77155613e-02 -3.77155613e-02] [ 2.50761770e-02 -4.98626861e-13 1.31060303e-03] [ 2.50761770e-02 1.34274536e-13 -1.31060303e-03] [-2.50761770e-02 -1.98779795e-13 1.31060303e-03] [-2.50761770e-02 1.70691152e-13 -1.31060303e-03] [ 2.50761770e-02 1.31060303e-03 1.90375008e-13] [-2.50761770e-02 1.31060303e-03 5.70902499e-13] [ 2.50761770e-02 -1.31060303e-03 3.09071701e-13] [-2.50761770e-02 -1.31060303e-03 -9.36854760e-14]] Final stress: [-1.26334545e-03 1.50193862e-03 1.50193862e-03 1.40885152e-16 -1.85636906e-16 1.93924267e-16] Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.31649024e-02 1.17277368e-12 1.82245191e-12] [-9.31649024e-02 -8.36275493e-14 2.48048804e-12] [ 2.49984235e-12 9.31649024e-02 3.35339439e-12] [ 2.24853469e-12 -9.31649024e-02 1.41336942e-12] [-4.60381841e-13 -4.14654042e-13 -3.47086186e-01] [-1.17267307e-13 -2.10514939e-12 3.47086186e-01] [ 9.31649024e-02 -8.74344000e-15 1.89902709e-12] [-9.31649024e-02 5.78361800e-12 -1.57440924e-12] [-2.07408006e-12 9.31649024e-02 -2.86628583e-13] [-5.08680315e-12 -9.31649024e-02 -2.20712496e-12] [-8.46845597e-13 1.11293450e-12 -3.47086186e-01] [ 2.08422992e-12 4.53906645e-12 3.47086186e-01] [-2.36546985e-03 -2.36546985e-03 4.09660844e-02] [ 2.36546985e-03 2.36546985e-03 4.09660844e-02] [ 2.36546985e-03 -2.36546984e-03 -4.09660844e-02] [-2.36546985e-03 2.36546985e-03 -4.09660844e-02] [-2.36546985e-03 -2.36546985e-03 -4.09660844e-02] [ 2.36546985e-03 2.36546985e-03 -4.09660844e-02] [-2.36546985e-03 2.36546985e-03 4.09660844e-02] [ 2.36546985e-03 -2.36546985e-03 4.09660844e-02] [-2.36546985e-03 -2.36546984e-03 4.09660844e-02] [ 2.36546985e-03 2.36546985e-03 4.09660844e-02] [ 2.36546984e-03 -2.36546985e-03 -4.09660844e-02] [-2.36546985e-03 2.36546985e-03 -4.09660844e-02] [-2.36546985e-03 -2.36546985e-03 -4.09660844e-02] [ 2.36546985e-03 2.36546985e-03 -4.09660844e-02] [-2.36546985e-03 2.36546985e-03 4.09660844e-02] [ 2.36546984e-03 -2.36546985e-03 4.09660844e-02] [ 2.90106827e-12 -8.38679126e-12 7.23987537e-12] [-1.27340846e-12 2.75470567e-12 6.26237367e-12] [-2.13151718e-12 -9.55629350e-02 -1.61650204e-02] [-7.07394299e-12 9.55629351e-02 -1.61650204e-02] [ 5.81142599e-12 -9.55629350e-02 1.61650204e-02] [-2.52414382e-13 9.55629351e-02 1.61650204e-02] [-9.55629350e-02 -1.04922737e-11 -1.61650204e-02] [-9.55629351e-02 1.75723498e-12 1.61650204e-02] [ 9.55629350e-02 -7.21408870e-12 -1.61650204e-02] [ 9.55629351e-02 -5.32779170e-13 1.61650204e-02] [ 3.81361659e-02 3.81361659e-02 1.13306031e-11] [-3.81361659e-02 3.81361659e-02 3.71160221e-12] [ 3.81361659e-02 -3.81361659e-02 1.12610650e-11] [-3.81361659e-02 -3.81361659e-02 -2.65589460e-12] [ 5.43244096e-12 -9.55629350e-02 -1.61650204e-02] [ 6.43704317e-12 9.55629350e-02 -1.61650204e-02] [-2.17732212e-12 -9.55629350e-02 1.61650204e-02] [ 3.43815037e-12 9.55629350e-02 1.61650204e-02] [-9.55629351e-02 -1.04911094e-11 -1.61650204e-02] [-9.55629350e-02 -6.15915007e-12 1.61650204e-02] [ 9.55629350e-02 -1.70583443e-11 -1.61650204e-02] [ 9.55629351e-02 -9.46590939e-12 1.61650204e-02] [ 3.81361659e-02 3.81361659e-02 4.33390355e-12] [-3.81361659e-02 3.81361659e-02 2.98696230e-12] [ 3.81361659e-02 -3.81361659e-02 7.43522468e-12] [-3.81361659e-02 -3.81361659e-02 9.01259449e-12]] Final stress: [ 4.81783606e-05 4.81783606e-05 7.72751006e-04 8.78458318e-17 3.91328318e-15 -2.58482216e-15] Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.34409607e-02 3.89575525e-14 -2.60212858e-14] [ 2.34409607e-02 5.86752869e-14 8.35165270e-14] [-8.54177840e-15 -2.34409607e-02 1.02379910e-13] [ 6.54198917e-14 2.34409607e-02 2.42861287e-14] [-1.49888782e-14 3.31965358e-14 1.74949403e-03] [ 4.71844785e-16 7.54951657e-14 -1.74949403e-03] [-2.34409607e-02 2.33502453e-14 -6.39039105e-14] [ 2.34409607e-02 1.84843894e-13 -4.92014337e-14] [ 8.77778752e-14 -2.34409607e-02 -3.02756427e-14] [-7.39790174e-14 2.34409607e-02 -4.28447411e-14] [-1.38304299e-13 2.86927953e-14 1.74949403e-03] [-5.16010845e-14 1.64769166e-13 -1.74949403e-03] [-1.30919781e-03 -1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 -1.30919781e-03 1.19302534e-02] [-1.30919781e-03 1.30919781e-03 1.19302534e-02] [-1.30919781e-03 -1.30919781e-03 1.19302534e-02] [ 1.30919781e-03 1.30919781e-03 1.19302534e-02] [-1.30919781e-03 1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 -1.30919781e-03 -1.19302534e-02] [-1.30919781e-03 -1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 -1.30919781e-03 1.19302534e-02] [-1.30919781e-03 1.30919781e-03 1.19302534e-02] [-1.30919781e-03 -1.30919781e-03 1.19302534e-02] [ 1.30919781e-03 1.30919781e-03 1.19302534e-02] [-1.30919781e-03 1.30919781e-03 -1.19302534e-02] [ 1.30919781e-03 -1.30919781e-03 -1.19302534e-02] [ 5.00460784e-13 -4.22162305e-14 5.30464561e-13] [ 1.03866568e-13 -3.34063019e-13 -9.75524252e-14] [ 1.39555034e-13 -5.33953360e-03 -5.01035757e-03] [-4.88567520e-14 5.33953360e-03 -5.01035757e-03] [ 1.77233228e-13 -5.33953360e-03 5.01035757e-03] [-1.25528060e-13 5.33953360e-03 5.01035757e-03] [-5.33953360e-03 -2.59348099e-13 -5.01035757e-03] [-5.33953360e-03 -1.35159245e-13 5.01035757e-03] [ 5.33953360e-03 -1.88321581e-14 -5.01035757e-03] [ 5.33953360e-03 6.41674214e-15 5.01035757e-03] [ 6.31758524e-03 6.31758524e-03 1.81743509e-13] [-6.31758524e-03 6.31758524e-03 -3.73832909e-15] [ 6.31758524e-03 -6.31758524e-03 -1.37858475e-14] [-6.31758524e-03 -6.31758524e-03 -1.21048032e-13] [ 2.36019971e-13 -5.33953360e-03 -5.01035757e-03] [ 3.32693508e-13 5.33953360e-03 -5.01035757e-03] [ 7.91012221e-14 -5.33953360e-03 5.01035757e-03] [ 8.41839619e-14 5.33953360e-03 5.01035757e-03] [-5.33953360e-03 -1.64041266e-13 -5.01035757e-03] [-5.33953360e-03 -2.38252560e-13 5.01035757e-03] [ 5.33953360e-03 -4.26721158e-13 -5.01035757e-03] [ 5.33953360e-03 -4.23797282e-13 5.01035757e-03] [ 6.31758524e-03 6.31758524e-03 2.24427469e-13] [-6.31758524e-03 6.31758524e-03 9.86331378e-14] [ 6.31758524e-03 -6.31758524e-03 2.88452083e-13] [-6.31758524e-03 -6.31758524e-03 3.02736135e-13]] Final stress: [-3.22689954e-04 -3.22689954e-04 -1.43365357e-03 -1.00056951e-17 -1.33409268e-16 -1.30074036e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.31649025e-02 -8.06694121e-14 3.49835612e-13] [-9.31649025e-02 -4.63240557e-13 7.52703455e-13] [-4.50576805e-13 -3.47086186e-01 1.71046781e-12] [-5.14033260e-14 3.47086186e-01 -1.17031385e-12] [-1.07623589e-12 1.04956148e-12 9.31649025e-02] [ 7.91117172e-13 2.76606515e-12 -9.31649025e-02] [ 9.31649025e-02 -7.39781500e-14 8.07134573e-13] [-9.31649025e-02 3.07291415e-12 -5.00033265e-13] [-1.32621128e-12 -3.47086186e-01 -1.41811322e-12] [-2.57258407e-12 3.47086186e-01 7.50730128e-13] [-2.54293982e-13 2.14155809e-12 9.31649025e-02] [ 1.14198939e-12 -3.22501358e-13 -9.31649025e-02] [-2.36546985e-03 4.09660844e-02 -2.36546985e-03] [ 2.36546985e-03 -4.09660843e-02 -2.36546985e-03] [ 2.36546986e-03 4.09660843e-02 2.36546985e-03] [-2.36546985e-03 -4.09660844e-02 2.36546985e-03] [-2.36546986e-03 4.09660844e-02 2.36546985e-03] [ 2.36546986e-03 -4.09660843e-02 2.36546985e-03] [-2.36546985e-03 -4.09660844e-02 -2.36546985e-03] [ 2.36546985e-03 4.09660844e-02 -2.36546986e-03] [-2.36546986e-03 4.09660844e-02 -2.36546986e-03] [ 2.36546985e-03 -4.09660843e-02 -2.36546985e-03] [ 2.36546985e-03 4.09660844e-02 2.36546985e-03] [-2.36546985e-03 -4.09660843e-02 2.36546985e-03] [-2.36546985e-03 4.09660844e-02 2.36546985e-03] [ 2.36546985e-03 -4.09660843e-02 2.36546985e-03] [-2.36546985e-03 -4.09660843e-02 -2.36546986e-03] [ 2.36546985e-03 4.09660844e-02 -2.36546985e-03] [ 4.65583128e-12 -7.59506347e-12 6.24583718e-12] [-5.00331894e-12 -4.02574129e-12 -6.42507914e-12] [-9.83757520e-12 -1.61650203e-02 -9.55629351e-02] [-1.25569156e-11 1.61650203e-02 -9.55629351e-02] [-2.56692237e-12 -1.61650203e-02 9.55629351e-02] [-1.45442802e-11 1.61650203e-02 9.55629351e-02] [ 3.81361660e-02 -9.67381730e-12 3.81361660e-02] [ 3.81361660e-02 -1.23598475e-11 -3.81361660e-02] [-3.81361660e-02 -8.23529439e-12 3.81361660e-02] [-3.81361660e-02 -1.04214519e-11 -3.81361660e-02] [-9.55629351e-02 -1.61650203e-02 -8.59134985e-12] [ 9.55629351e-02 -1.61650203e-02 -1.66194142e-12] [-9.55629351e-02 1.61650203e-02 2.12688894e-12] [ 9.55629351e-02 1.61650203e-02 -6.47200888e-12] [ 8.56481466e-12 -1.61650203e-02 -9.55629351e-02] [ 4.76897254e-12 1.61650203e-02 -9.55629351e-02] [ 9.27427753e-12 -1.61650203e-02 9.55629351e-02] [ 9.81105431e-12 1.61650203e-02 9.55629351e-02] [ 3.81361660e-02 -5.89314407e-12 3.81361660e-02] [ 3.81361660e-02 -9.02038226e-12 -3.81361660e-02] [-3.81361660e-02 -1.72523654e-11 3.81361660e-02] [-3.81361660e-02 -2.58040768e-12 -3.81361660e-02] [-9.55629351e-02 -1.61650203e-02 1.14103995e-11] [ 9.55629351e-02 -1.61650203e-02 9.26579142e-12] [-9.55629351e-02 1.61650203e-02 4.43070258e-12] [ 9.55629351e-02 1.61650203e-02 3.72499557e-12]] Final stress: [ 4.81783609e-05 7.72751007e-04 4.81783609e-05 1.21989683e-15 -1.55802041e-15 2.78454712e-16] Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.34635360e-02 -1.01789237e-13 -4.85930740e-14] [ 2.34635360e-02 -1.38500322e-13 -1.38389300e-13] [-4.68579169e-14 1.72216620e-03 -7.76739784e-14] [-1.02307052e-13 -1.72216620e-03 -5.85365090e-14] [ 3.06959319e-15 -4.33290556e-14 -2.34635360e-02] [-4.38538095e-15 -1.05138120e-13 2.34635360e-02] [-2.34635360e-02 1.23117662e-14 8.03132548e-14] [ 2.34635360e-02 4.77426258e-14 6.97272424e-15] [-1.52048513e-15 1.72216620e-03 9.94337264e-14] [ 7.58243295e-14 -1.72216620e-03 2.61922301e-14] [-9.11696933e-14 -9.65106803e-14 -2.34635360e-02] [ 1.43075655e-14 -7.79712310e-14 2.34635360e-02] [-1.30398184e-03 -1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 -1.19272382e-02 1.30398184e-03] [-1.30398184e-03 1.19272382e-02 1.30398184e-03] [-1.30398184e-03 -1.19272382e-02 1.30398184e-03] [ 1.30398185e-03 1.19272382e-02 1.30398184e-03] [-1.30398184e-03 1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 -1.19272382e-02 -1.30398184e-03] [-1.30398184e-03 -1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 -1.19272382e-02 1.30398184e-03] [-1.30398184e-03 1.19272382e-02 1.30398184e-03] [-1.30398184e-03 -1.19272382e-02 1.30398184e-03] [ 1.30398184e-03 1.19272382e-02 1.30398184e-03] [-1.30398184e-03 1.19272382e-02 -1.30398184e-03] [ 1.30398184e-03 -1.19272382e-02 -1.30398184e-03] [ 4.31155112e-13 -2.59209321e-13 2.12913021e-13] [-1.01933652e-13 -1.65125752e-13 1.13936416e-13] [-2.51798582e-13 -4.97374112e-03 -5.34943766e-03] [-6.72899236e-14 4.97374112e-03 -5.34943766e-03] [-2.28981764e-13 -4.97374112e-03 5.34943766e-03] [-1.55007951e-13 4.97374112e-03 5.34943766e-03] [ 6.32641836e-03 -4.32653913e-13 6.32641836e-03] [ 6.32641836e-03 -5.33600941e-15 -6.32641836e-03] [-6.32641836e-03 -3.75578041e-13 6.32641836e-03] [-6.32641836e-03 -1.59521776e-13 -6.32641836e-03] [-5.34943766e-03 -4.97374112e-03 2.22710739e-13] [ 5.34943766e-03 -4.97374112e-03 2.17516977e-13] [-5.34943766e-03 4.97374112e-03 -1.00513348e-13] [ 5.34943766e-03 4.97374112e-03 -1.65685174e-13] [ 1.49817658e-13 -4.97374112e-03 -5.34943766e-03] [ 2.77989871e-13 4.97374112e-03 -5.34943766e-03] [ 3.00695233e-13 -4.97374112e-03 5.34943766e-03] [ 2.87892973e-13 4.97374112e-03 5.34943766e-03] [ 6.32641836e-03 -2.90817667e-13 6.32641836e-03] [ 6.32641836e-03 -2.91212150e-13 -6.32641836e-03] [-6.32641836e-03 -8.21239778e-14 6.32641836e-03] [-6.32641836e-03 1.61619849e-14 -6.32641836e-03] [-5.34943766e-03 -4.97374112e-03 5.47338207e-13] [ 5.34943766e-03 -4.97374112e-03 2.92829061e-13] [-5.34943766e-03 4.97374112e-03 2.97994648e-13] [ 5.34943766e-03 4.97374112e-03 4.42463340e-13]] Final stress: [-3.22926397e-04 -1.43400689e-03 -3.22926397e-04 -5.66989390e-17 1.08395030e-16 1.66761585e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.42383043e-02 -3.05328679e-14 1.64499490e-14] [-1.42383043e-02 1.51267887e-14 2.01505479e-14] [ 4.44726721e-14 3.10605574e-03 -1.47372958e-03] [ 8.32667268e-15 -3.10605574e-03 1.47372958e-03] [-3.68607055e-14 -1.47372958e-03 3.10605574e-03] [-6.51700915e-14 1.47372958e-03 -3.10605574e-03] [ 1.42383043e-02 -1.27454471e-14 3.88551818e-14] [-1.42383043e-02 -1.62166287e-14 5.48700481e-14] [-3.25416777e-14 3.10605574e-03 -1.47372958e-03] [-5.30565175e-15 -3.10605574e-03 1.47372958e-03] [-4.61046132e-14 -1.47372958e-03 3.10605574e-03] [-5.44048313e-14 1.47372958e-03 -3.10605574e-03] [ 6.65264607e-03 4.59901782e-03 4.59901782e-03] [ 1.15350348e-02 -3.75808772e-03 3.75808772e-03] [ 1.15350348e-02 3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 -4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 3.75808772e-03 -3.75808772e-03] [-6.65264607e-03 -4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 -3.75808772e-03 3.75808772e-03] [-6.65264607e-03 4.59901782e-03 4.59901782e-03] [ 6.65264607e-03 4.59901782e-03 4.59901782e-03] [ 1.15350348e-02 -3.75808772e-03 3.75808772e-03] [ 1.15350348e-02 3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 -4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 3.75808772e-03 -3.75808772e-03] [-6.65264607e-03 -4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 -3.75808772e-03 3.75808772e-03] [-6.65264607e-03 4.59901782e-03 4.59901782e-03] [ 7.40796313e-14 -2.30593322e-13 1.33670852e-13] [-6.74690338e-14 -9.74907997e-14 6.33026811e-14] [-9.34807787e-14 1.77611738e-02 1.77611738e-02] [-5.77315973e-14 2.93416244e-03 -2.93416244e-03] [-7.58074159e-15 -2.93416244e-03 2.93416244e-03] [-8.63961680e-14 -1.77611738e-02 -1.77611739e-02] [-2.60129699e-04 6.89944258e-03 3.01746541e-03] [-2.60129699e-04 -6.89944258e-03 -3.01746541e-03] [ 2.60129699e-04 6.89944258e-03 3.01746541e-03] [ 2.60129699e-04 -6.89944258e-03 -3.01746541e-03] [-2.60129699e-04 3.01746541e-03 6.89944258e-03] [ 2.60129699e-04 3.01746541e-03 6.89944258e-03] [-2.60129699e-04 -3.01746541e-03 -6.89944258e-03] [ 2.60129699e-04 -3.01746541e-03 -6.89944258e-03] [ 8.57001102e-14 1.77611738e-02 1.77611738e-02] [ 1.25245734e-13 2.93416244e-03 -2.93416244e-03] [ 1.15787588e-13 -2.93416244e-03 2.93416244e-03] [ 1.75616032e-13 -1.77611739e-02 -1.77611738e-02] [-2.60129699e-04 6.89944258e-03 3.01746541e-03] [-2.60129699e-04 -6.89944258e-03 -3.01746541e-03] [ 2.60129699e-04 6.89944258e-03 3.01746541e-03] [ 2.60129699e-04 -6.89944258e-03 -3.01746541e-03] [-2.60129698e-04 3.01746541e-03 6.89944258e-03] [ 2.60129699e-04 3.01746541e-03 6.89944258e-03] [-2.60129699e-04 -3.01746541e-03 -6.89944258e-03] [ 2.60129699e-04 -3.01746541e-03 -6.89944258e-03]] Final stress: [-2.69759453e-04 6.04236907e-04 6.04236907e-04 6.91201874e-04 9.96000891e-18 -6.80600609e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.42383043e-02 -7.57987423e-15 1.34280607e-14] [-1.42383043e-02 4.66293670e-14 5.54556401e-14] [ 4.18181115e-14 3.10605574e-03 1.47372958e-03] [ 2.72004641e-14 -3.10605574e-03 -1.47372958e-03] [ 1.04150629e-13 1.47372958e-03 3.10605574e-03] [ 3.86080057e-14 -1.47372958e-03 -3.10605574e-03] [ 1.42383043e-02 2.78652969e-14 1.79818767e-14] [-1.42383043e-02 1.43548368e-16 -2.06716824e-14] [-5.86813584e-15 3.10605574e-03 1.47372958e-03] [-1.49702299e-14 -3.10605574e-03 -1.47372958e-03] [-3.53501950e-14 1.47372958e-03 3.10605574e-03] [-1.53353892e-14 -1.47372958e-03 -3.10605574e-03] [-1.15350348e-02 3.75808772e-03 3.75808772e-03] [-6.65264607e-03 -4.59901782e-03 4.59901782e-03] [-6.65264607e-03 4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 -3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 4.59901782e-03 -4.59901782e-03] [ 1.15350348e-02 -3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 -4.59901782e-03 4.59901782e-03] [ 1.15350348e-02 3.75808772e-03 3.75808772e-03] [-1.15350348e-02 3.75808772e-03 3.75808772e-03] [-6.65264607e-03 -4.59901782e-03 4.59901782e-03] [-6.65264607e-03 4.59901782e-03 -4.59901782e-03] [-1.15350348e-02 -3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 4.59901782e-03 -4.59901782e-03] [ 1.15350348e-02 -3.75808772e-03 -3.75808772e-03] [ 6.65264607e-03 -4.59901782e-03 4.59901782e-03] [ 1.15350348e-02 3.75808772e-03 3.75808772e-03] [ 1.58012492e-13 -5.95634653e-14 1.82742710e-13] [-7.87009347e-14 1.56492988e-14 -1.98806672e-14] [-2.25153229e-13 -2.93416244e-03 -2.93416244e-03] [-3.50136586e-14 -1.77611739e-02 1.77611738e-02] [-7.71344794e-14 1.77611738e-02 -1.77611738e-02] [ 6.99388464e-14 2.93416244e-03 2.93416244e-03] [-2.60129699e-04 -6.89944258e-03 3.01746541e-03] [-2.60129699e-04 6.89944258e-03 -3.01746541e-03] [ 2.60129699e-04 -6.89944258e-03 3.01746541e-03] [ 2.60129699e-04 6.89944258e-03 -3.01746541e-03] [-2.60129699e-04 3.01746541e-03 -6.89944258e-03] [ 2.60129699e-04 3.01746541e-03 -6.89944258e-03] [-2.60129699e-04 -3.01746541e-03 6.89944258e-03] [ 2.60129699e-04 -3.01746541e-03 6.89944258e-03] [ 1.21498731e-13 -2.93416244e-03 -2.93416244e-03] [ 2.35841294e-13 -1.77611738e-02 1.77611739e-02] [ 2.08124750e-13 1.77611738e-02 -1.77611738e-02] [ 1.86340960e-13 2.93416244e-03 2.93416244e-03] [-2.60129699e-04 -6.89944258e-03 3.01746541e-03] [-2.60129699e-04 6.89944258e-03 -3.01746541e-03] [ 2.60129699e-04 -6.89944258e-03 3.01746541e-03] [ 2.60129699e-04 6.89944258e-03 -3.01746541e-03] [-2.60129699e-04 3.01746541e-03 -6.89944258e-03] [ 2.60129699e-04 3.01746541e-03 -6.89944258e-03] [-2.60129699e-04 -3.01746541e-03 6.89944258e-03] [ 2.60129699e-04 -3.01746541e-03 6.89944258e-03]] Final stress: [-2.69759453e-04 6.04236907e-04 6.04236907e-04 -6.91201874e-04 1.29480116e-16 1.82600163e-17] Minimization converged after 30 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.30517650e-02 1.16347904e-14 -1.15391202e-03] [-1.30517650e-02 -1.46549439e-14 1.15391202e-03] [ 4.58955790e-14 2.05119327e-03 7.41789442e-14] [ 1.54598556e-14 -2.05119327e-03 5.72042413e-14] [-2.78800666e-04 -7.34308447e-15 2.71675984e-03] [ 2.78800666e-04 -6.59194921e-14 -2.71675984e-03] [ 1.30517650e-02 1.07483467e-14 -1.15391202e-03] [-1.30517650e-02 -2.50997140e-14 1.15391202e-03] [ 1.64382397e-14 2.05119327e-03 2.99232989e-14] [ 5.19532334e-14 -2.05119327e-03 5.05839021e-14] [-2.78800666e-04 -2.07070504e-14 2.71675984e-03] [ 2.78800666e-04 2.38694787e-14 -2.71675984e-03] [-1.82906314e-03 1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 1.11960721e-02 -4.00017970e-03] [-2.29858995e-03 4.37717563e-03 -3.34826513e-03] [-2.29858995e-03 -4.37717563e-03 -3.34826513e-03] [ 1.82906314e-03 -1.11960721e-02 -4.00017970e-03] [-1.82906314e-03 -1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 -4.37717563e-03 3.34826513e-03] [-1.82906314e-03 1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 1.11960721e-02 -4.00017970e-03] [-2.29858995e-03 4.37717563e-03 -3.34826513e-03] [-2.29858995e-03 -4.37717563e-03 -3.34826513e-03] [ 1.82906314e-03 -1.11960721e-02 -4.00017970e-03] [-1.82906314e-03 -1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 -4.37717563e-03 3.34826513e-03] [ 8.09352585e-14 -1.53183022e-13 2.34534614e-14] [-5.45848089e-14 -1.14762366e-13 1.91454002e-14] [ 5.86441755e-03 6.38564806e-03 6.43732454e-03] [ 5.86441755e-03 -6.38564806e-03 6.43732454e-03] [-5.86441755e-03 6.38564806e-03 -6.43732454e-03] [-5.86441755e-03 -6.38564806e-03 -6.43732454e-03] [ 9.15954283e-03 -1.12798659e-13 1.17408051e-02] [-9.21834098e-03 -7.31064514e-14 7.35718547e-03] [ 9.21834098e-03 -1.01703368e-13 -7.35718547e-03] [-9.15954283e-03 5.66387215e-15 -1.17408051e-02] [-9.68701224e-05 2.05595095e-03 6.32763714e-03] [ 9.68701222e-05 2.05595095e-03 -6.32763714e-03] [-9.68701223e-05 -2.05595095e-03 6.32763714e-03] [ 9.68701221e-05 -2.05595095e-03 -6.32763714e-03] [ 5.86441755e-03 6.38564806e-03 6.43732454e-03] [ 5.86441755e-03 -6.38564806e-03 6.43732454e-03] [-5.86441755e-03 6.38564806e-03 -6.43732454e-03] [-5.86441755e-03 -6.38564806e-03 -6.43732454e-03] [ 9.15954283e-03 -2.26494163e-13 1.17408051e-02] [-9.21834098e-03 -4.93945163e-14 7.35718547e-03] [ 9.21834098e-03 -2.55910744e-14 -7.35718547e-03] [-9.15954283e-03 -1.47850482e-14 -1.17408051e-02] [-9.68701225e-05 2.05595095e-03 6.32763714e-03] [ 9.68701228e-05 2.05595095e-03 -6.32763714e-03] [-9.68701226e-05 -2.05595095e-03 6.32763714e-03] [ 9.68701228e-05 -2.05595095e-03 -6.32763714e-03]] Final stress: [-2.08092313e-04 5.95378737e-04 6.02023558e-04 9.96000887e-18 6.90583168e-04 -5.47800488e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.30517650e-02 2.39543628e-14 1.15391202e-03] [-1.30517650e-02 2.06223927e-14 -1.15391202e-03] [-1.53045979e-15 2.05119327e-03 2.78223625e-14] [ 4.32986980e-15 -2.05119327e-03 5.10147480e-14] [ 2.78800666e-04 -4.28281542e-14 2.71675984e-03] [-2.78800666e-04 -3.85802501e-15 -2.71675984e-03] [ 1.30517650e-02 4.19239296e-15 1.15391202e-03] [-1.30517650e-02 5.15082768e-15 -1.15391202e-03] [ 5.96237469e-14 2.05119327e-03 -4.34995354e-14] [-1.52347752e-14 -2.05119327e-03 -3.49105256e-14] [ 2.78800666e-04 2.90105385e-15 2.71675984e-03] [-2.78800666e-04 -5.24447405e-15 -2.71675984e-03] [-2.29858995e-03 -4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 -1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 -4.37717563e-03 -3.34826513e-03] [-1.82906314e-03 -1.11960721e-02 -4.00017970e-03] [-1.82906314e-03 1.11960721e-02 -4.00017970e-03] [ 2.29858995e-03 4.37717563e-03 -3.34826513e-03] [-2.29858995e-03 4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 1.11960721e-02 4.00017970e-03] [-2.29858995e-03 -4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 -1.11960721e-02 4.00017970e-03] [ 2.29858995e-03 -4.37717563e-03 -3.34826513e-03] [-1.82906314e-03 -1.11960721e-02 -4.00017970e-03] [-1.82906314e-03 1.11960721e-02 -4.00017970e-03] [ 2.29858995e-03 4.37717563e-03 -3.34826513e-03] [-2.29858995e-03 4.37717563e-03 3.34826513e-03] [ 1.82906314e-03 1.11960721e-02 4.00017970e-03] [ 7.94364574e-14 -4.39093206e-14 1.07663878e-13] [-2.28577574e-13 4.47467417e-14 2.11640516e-14] [-5.86441755e-03 6.38564806e-03 6.43732454e-03] [-5.86441755e-03 -6.38564806e-03 6.43732454e-03] [ 5.86441755e-03 6.38564806e-03 -6.43732454e-03] [ 5.86441755e-03 -6.38564806e-03 -6.43732454e-03] [-9.21834098e-03 -4.77395901e-15 -7.35718547e-03] [ 9.15954284e-03 8.01234079e-14 -1.17408051e-02] [-9.15954284e-03 -9.13158438e-15 1.17408051e-02] [ 9.21834098e-03 -6.20978963e-14 7.35718547e-03] [-9.68701224e-05 2.05595095e-03 -6.32763714e-03] [ 9.68701221e-05 2.05595095e-03 6.32763714e-03] [-9.68701222e-05 -2.05595095e-03 -6.32763714e-03] [ 9.68701220e-05 -2.05595095e-03 6.32763714e-03] [-5.86441755e-03 6.38564806e-03 6.43732454e-03] [-5.86441755e-03 -6.38564806e-03 6.43732454e-03] [ 5.86441755e-03 6.38564806e-03 -6.43732454e-03] [ 5.86441755e-03 -6.38564806e-03 -6.43732454e-03] [-9.21834098e-03 -2.39869798e-14 -7.35718547e-03] [ 9.15954284e-03 6.40160668e-14 -1.17408051e-02] [-9.15954284e-03 -7.74076983e-14 1.17408051e-02] [ 9.21834098e-03 -5.17329235e-14 7.35718547e-03] [-9.68701223e-05 2.05595095e-03 -6.32763714e-03] [ 9.68701223e-05 2.05595095e-03 6.32763714e-03] [-9.68701222e-05 -2.05595095e-03 -6.32763714e-03] [ 9.68701226e-05 -2.05595095e-03 6.32763714e-03]] Final stress: [-2.08092313e-04 5.95378737e-04 6.02023558e-04 -8.30000740e-17 -6.90583168e-04 1.47740132e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.60414296e-02 1.29171847e-15 -4.50931395e-02] [ 4.60414296e-02 3.75810494e-14 4.50931395e-02] [ 7.39816194e-14 1.34483002e-03 1.76351121e-13] [-1.58206781e-15 -1.34483002e-03 2.84772206e-14] [-4.11279200e-02 -1.77950536e-13 1.04146960e-02] [ 4.11279200e-02 -2.41473508e-14 -1.04146960e-02] [-4.60414296e-02 5.61529989e-15 -4.50931395e-02] [ 4.60414296e-02 6.08007568e-14 4.50931395e-02] [-9.54622666e-14 1.34483002e-03 -1.14308413e-13] [-4.19408432e-14 -1.34483002e-03 -3.89965660e-14] [-4.11279200e-02 4.83813924e-14 1.04146960e-02] [ 4.11279200e-02 6.54872798e-14 -1.04146960e-02] [ 2.27438253e-02 2.63448201e-03 -2.74646734e-03] [-4.70377536e-03 5.78846720e-02 -4.47259168e-02] [-2.27438253e-02 2.63448201e-03 2.74646734e-03] [ 4.70377536e-03 5.78846720e-02 4.47259168e-02] [ 4.70377536e-03 -5.78846720e-02 4.47259168e-02] [-2.27438253e-02 -2.63448201e-03 2.74646734e-03] [ 2.27438253e-02 -2.63448201e-03 -2.74646734e-03] [-4.70377536e-03 -5.78846720e-02 -4.47259168e-02] [ 2.27438253e-02 2.63448201e-03 -2.74646734e-03] [-4.70377536e-03 5.78846720e-02 -4.47259168e-02] [-2.27438253e-02 2.63448201e-03 2.74646734e-03] [ 4.70377536e-03 5.78846720e-02 4.47259168e-02] [ 4.70377536e-03 -5.78846720e-02 4.47259168e-02] [-2.27438253e-02 -2.63448201e-03 2.74646734e-03] [ 2.27438253e-02 -2.63448201e-03 -2.74646734e-03] [-4.70377536e-03 -5.78846720e-02 -4.47259168e-02] [ 1.14602772e-12 -3.61571884e-13 1.24145139e-12] [-1.31290204e-12 -6.05558874e-14 -6.47301567e-14] [ 3.40178385e-02 -1.03552504e-02 -6.04157330e-03] [ 3.40178385e-02 1.03552504e-02 -6.04157330e-03] [-3.40178385e-02 -1.03552504e-02 6.04157330e-03] [-3.40178385e-02 1.03552504e-02 6.04157330e-03] [ 7.89162565e-02 1.03250741e-13 1.03005334e-01] [-9.86228096e-02 2.62376926e-13 6.48389091e-02] [ 9.86228096e-02 5.68114999e-13 -6.48389091e-02] [-7.89162565e-02 4.67076031e-13 -1.03005334e-01] [-2.06728910e-03 1.88943379e-02 4.61856591e-02] [ 2.06728910e-03 1.88943379e-02 -4.61856591e-02] [-2.06728910e-03 -1.88943379e-02 4.61856591e-02] [ 2.06728910e-03 -1.88943379e-02 -4.61856591e-02] [ 3.40178385e-02 -1.03552504e-02 -6.04157330e-03] [ 3.40178385e-02 1.03552504e-02 -6.04157330e-03] [-3.40178385e-02 -1.03552504e-02 6.04157330e-03] [-3.40178385e-02 1.03552504e-02 6.04157330e-03] [ 7.89162565e-02 -4.55204677e-13 1.03005334e-01] [-9.86228096e-02 -6.48754271e-13 6.48389091e-02] [ 9.86228096e-02 -8.61955039e-13 -6.48389091e-02] [-7.89162565e-02 -1.63361078e-13 -1.03005334e-01] [-2.06728910e-03 1.88943379e-02 4.61856591e-02] [ 2.06728910e-03 1.88943379e-02 -4.61856591e-02] [-2.06728910e-03 -1.88943379e-02 4.61856591e-02] [ 2.06728910e-03 -1.88943379e-02 -4.61856591e-02]] Final stress: [ 4.58940661e-04 -1.15994958e-03 -1.22753434e-03 -7.15982317e-17 4.54021945e-04 -1.28210787e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.53600963e-02 -8.11050446e-14 4.52499022e-02] [ 4.53600963e-02 -6.13398221e-15 -4.52499022e-02] [ 1.02216846e-13 5.37138743e-03 -1.17410422e-14] [ 1.97730721e-13 -5.37138743e-03 1.89265270e-13] [ 4.02399375e-02 6.76767670e-14 1.50920019e-02] [-4.02399375e-02 5.50393064e-14 -1.50920019e-02] [-4.53600963e-02 -2.39066579e-14 4.52499022e-02] [ 4.53600963e-02 1.87292890e-13 -4.52499022e-02] [-4.41543503e-14 5.37138743e-03 3.07020176e-14] [-1.03350922e-13 -5.37138743e-03 -4.62681644e-14] [ 4.02399375e-02 -1.11834688e-13 1.50920019e-02] [-4.02399375e-02 1.54781584e-14 -1.50920019e-02] [ 4.65972701e-03 -6.04933096e-02 -4.61536719e-02] [-2.12597559e-02 -1.76818266e-03 -4.13976347e-03] [-4.65972701e-03 -6.04933096e-02 4.61536719e-02] [ 2.12597559e-02 -1.76818266e-03 4.13976347e-03] [ 2.12597559e-02 1.76818266e-03 4.13976347e-03] [-4.65972701e-03 6.04933096e-02 4.61536719e-02] [ 4.65972701e-03 6.04933096e-02 -4.61536719e-02] [-2.12597559e-02 1.76818266e-03 -4.13976347e-03] [ 4.65972701e-03 -6.04933096e-02 -4.61536719e-02] [-2.12597559e-02 -1.76818266e-03 -4.13976347e-03] [-4.65972701e-03 -6.04933096e-02 4.61536719e-02] [ 2.12597559e-02 -1.76818266e-03 4.13976347e-03] [ 2.12597559e-02 1.76818266e-03 4.13976347e-03] [-4.65972701e-03 6.04933096e-02 4.61536719e-02] [ 4.65972701e-03 6.04933096e-02 -4.61536719e-02] [-2.12597559e-02 1.76818266e-03 -4.13976347e-03] [ 1.32488465e-12 -3.99957845e-13 6.65606459e-13] [ 1.47965407e-13 -7.09476317e-13 -5.57028978e-13] [-3.88747745e-02 -8.69038115e-03 -4.12410978e-03] [-3.88747745e-02 8.69038115e-03 -4.12410978e-03] [ 3.88747745e-02 -8.69038115e-03 4.12410978e-03] [ 3.88747745e-02 8.69038115e-03 4.12410978e-03] [-1.04171168e-01 -9.06830167e-13 -6.61222365e-02] [ 8.02804369e-02 -5.71369341e-13 -1.07226179e-01] [-8.02804369e-02 -5.24929059e-13 1.07226179e-01] [ 1.04171168e-01 -2.77435261e-13 6.61222365e-02] [-3.46955211e-03 2.04985620e-02 -5.15812857e-02] [ 3.46955211e-03 2.04985620e-02 5.15812857e-02] [-3.46955211e-03 -2.04985620e-02 -5.15812857e-02] [ 3.46955211e-03 -2.04985620e-02 5.15812857e-02] [-3.88747745e-02 -8.69038115e-03 -4.12410979e-03] [-3.88747745e-02 8.69038115e-03 -4.12410979e-03] [ 3.88747745e-02 -8.69038114e-03 4.12410979e-03] [ 3.88747745e-02 8.69038114e-03 4.12410979e-03] [-1.04171168e-01 2.73633504e-13 -6.61222365e-02] [ 8.02804369e-02 -9.71217464e-14 -1.07226179e-01] [-8.02804369e-02 -3.14349241e-13 1.07226179e-01] [ 1.04171168e-01 -5.32430003e-13 6.61222365e-02] [-3.46955210e-03 2.04985620e-02 -5.15812857e-02] [ 3.46955211e-03 2.04985620e-02 5.15812857e-02] [-3.46955210e-03 -2.04985620e-02 -5.15812857e-02] [ 3.46955210e-03 -2.04985620e-02 5.15812857e-02]] Final stress: [ 3.98173629e-04 -1.18986629e-03 -1.27100931e-03 -2.98048453e-16 -4.74110034e-04 -3.74641910e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.30517650e-02 -1.15391202e-03 -2.83254323e-14] [-1.30517650e-02 1.15391202e-03 -4.20219415e-14] [-2.78800666e-04 2.71675984e-03 -5.22732899e-14] [ 2.78800666e-04 -2.71675984e-03 1.32394096e-14] [ 4.58808339e-14 3.32425060e-14 2.05119327e-03] [ 5.10425036e-14 8.40716385e-14 -2.05119327e-03] [ 1.30517650e-02 -1.15391202e-03 9.35520001e-15] [-1.30517650e-02 1.15391202e-03 2.25304303e-15] [-2.78800666e-04 2.71675984e-03 2.16125676e-15] [ 2.78800666e-04 -2.71675984e-03 9.08531135e-16] [-2.11363045e-14 1.28302689e-14 2.05119327e-03] [-9.90440369e-15 -1.95029573e-14 -2.05119327e-03] [-1.82906314e-03 4.00017970e-03 1.11960721e-02] [ 1.82906314e-03 -4.00017970e-03 1.11960721e-02] [ 2.29858995e-03 3.34826513e-03 4.37717563e-03] [-2.29858995e-03 -3.34826513e-03 4.37717563e-03] [-1.82906314e-03 4.00017970e-03 -1.11960721e-02] [ 1.82906314e-03 -4.00017970e-03 -1.11960721e-02] [-2.29858995e-03 -3.34826513e-03 -4.37717563e-03] [ 2.29858995e-03 3.34826513e-03 -4.37717563e-03] [-1.82906314e-03 4.00017970e-03 1.11960721e-02] [ 1.82906314e-03 -4.00017970e-03 1.11960721e-02] [ 2.29858995e-03 3.34826513e-03 4.37717563e-03] [-2.29858995e-03 -3.34826513e-03 4.37717563e-03] [-1.82906314e-03 4.00017970e-03 -1.11960721e-02] [ 1.82906314e-03 -4.00017970e-03 -1.11960721e-02] [-2.29858995e-03 -3.34826513e-03 -4.37717563e-03] [ 2.29858995e-03 3.34826513e-03 -4.37717563e-03] [ 1.52738933e-13 -1.09079412e-14 1.95482519e-13] [-1.58799623e-13 -6.50165905e-14 2.53084601e-14] [ 5.86441755e-03 6.43732454e-03 6.38564806e-03] [-5.86441755e-03 -6.43732454e-03 6.38564806e-03] [ 5.86441755e-03 6.43732454e-03 -6.38564806e-03] [-5.86441755e-03 -6.43732454e-03 -6.38564806e-03] [-9.68701225e-05 6.32763714e-03 2.05595095e-03] [-9.68701226e-05 6.32763714e-03 -2.05595095e-03] [ 9.68701224e-05 -6.32763714e-03 2.05595095e-03] [ 9.68701223e-05 -6.32763714e-03 -2.05595095e-03] [ 9.15954283e-03 1.17408051e-02 1.41220369e-13] [ 9.21834098e-03 -7.35718547e-03 3.00696967e-14] [-9.21834098e-03 7.35718547e-03 4.62963001e-14] [-9.15954283e-03 -1.17408051e-02 -3.45105888e-14] [ 5.86441755e-03 6.43732454e-03 6.38564806e-03] [-5.86441755e-03 -6.43732454e-03 6.38564806e-03] [ 5.86441755e-03 6.43732454e-03 -6.38564806e-03] [-5.86441755e-03 -6.43732454e-03 -6.38564806e-03] [-9.68701224e-05 6.32763714e-03 2.05595095e-03] [-9.68701222e-05 6.32763714e-03 -2.05595094e-03] [ 9.68701223e-05 -6.32763714e-03 2.05595095e-03] [ 9.68701225e-05 -6.32763714e-03 -2.05595095e-03] [ 9.15954283e-03 1.17408051e-02 4.08006020e-14] [ 9.21834098e-03 -7.35718547e-03 2.27454345e-13] [-9.21834098e-03 7.35718547e-03 1.86311343e-14] [-9.15954283e-03 -1.17408051e-02 5.44972054e-14]] Final stress: [-2.08092312e-04 6.02023558e-04 5.95378737e-04 -1.09560098e-16 1.49400133e-17 6.90583168e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.30517650e-02 1.15391202e-03 4.07829152e-14] [-1.30517650e-02 -1.15391202e-03 4.99877917e-14] [ 2.78800666e-04 2.71675984e-03 5.31150644e-14] [-2.78800666e-04 -2.71675984e-03 5.05151476e-15] [-7.67354930e-15 -3.58584690e-14 2.05119327e-03] [-4.46309656e-14 -1.32116540e-14 -2.05119327e-03] [ 1.30517650e-02 1.15391202e-03 3.51994092e-14] [-1.30517650e-02 -1.15391202e-03 -1.93824017e-14] [ 2.78800666e-04 2.71675984e-03 -1.93152785e-14] [-2.78800666e-04 -2.71675984e-03 -2.92289732e-14] [-1.37875822e-14 -6.53337908e-14 2.05119327e-03] [ 4.03440302e-14 -4.05643460e-14 -2.05119327e-03] [-2.29858995e-03 3.34826513e-03 -4.37717563e-03] [ 2.29858995e-03 -3.34826513e-03 -4.37717563e-03] [ 1.82906314e-03 4.00017970e-03 -1.11960721e-02] [-1.82906314e-03 -4.00017970e-03 -1.11960721e-02] [-2.29858995e-03 3.34826513e-03 4.37717563e-03] [ 2.29858995e-03 -3.34826513e-03 4.37717563e-03] [-1.82906314e-03 -4.00017970e-03 1.11960721e-02] [ 1.82906314e-03 4.00017970e-03 1.11960721e-02] [-2.29858995e-03 3.34826513e-03 -4.37717563e-03] [ 2.29858995e-03 -3.34826513e-03 -4.37717563e-03] [ 1.82906314e-03 4.00017970e-03 -1.11960721e-02] [-1.82906314e-03 -4.00017970e-03 -1.11960721e-02] [-2.29858995e-03 3.34826513e-03 4.37717563e-03] [ 2.29858995e-03 -3.34826513e-03 4.37717563e-03] [-1.82906314e-03 -4.00017970e-03 1.11960721e-02] [ 1.82906314e-03 4.00017970e-03 1.11960721e-02] [ 7.14428516e-14 -1.28119737e-13 1.43302037e-13] [-2.44092940e-14 -5.46548094e-14 2.67445935e-14] [-5.86441755e-03 6.43732454e-03 6.38564806e-03] [ 5.86441755e-03 -6.43732454e-03 6.38564806e-03] [-5.86441755e-03 6.43732454e-03 -6.38564806e-03] [ 5.86441755e-03 -6.43732454e-03 -6.38564806e-03] [-9.68701221e-05 -6.32763714e-03 2.05595095e-03] [-9.68701224e-05 -6.32763714e-03 -2.05595095e-03] [ 9.68701222e-05 6.32763714e-03 2.05595095e-03] [ 9.68701224e-05 6.32763714e-03 -2.05595095e-03] [-9.21834098e-03 -7.35718547e-03 4.44089210e-15] [-9.15954284e-03 1.17408051e-02 3.27515792e-14] [ 9.15954284e-03 -1.17408051e-02 7.80278619e-14] [ 9.21834098e-03 7.35718547e-03 4.58053734e-14] [-5.86441755e-03 6.43732454e-03 6.38564806e-03] [ 5.86441755e-03 -6.43732454e-03 6.38564806e-03] [-5.86441755e-03 6.43732454e-03 -6.38564806e-03] [ 5.86441755e-03 -6.43732454e-03 -6.38564806e-03] [-9.68701222e-05 -6.32763714e-03 2.05595095e-03] [-9.68701221e-05 -6.32763714e-03 -2.05595095e-03] [ 9.68701221e-05 6.32763714e-03 2.05595095e-03] [ 9.68701220e-05 6.32763714e-03 -2.05595095e-03] [-9.21834098e-03 -7.35718547e-03 5.77357871e-14] [-9.15954284e-03 1.17408051e-02 2.69550949e-13] [ 9.15954284e-03 -1.17408051e-02 3.66496926e-14] [ 9.21834098e-03 7.35718547e-03 6.98230536e-14]] Final stress: [-2.08092313e-04 6.02023558e-04 5.95378737e-04 2.15800192e-17 -1.32800118e-17 -6.90583168e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.66662877e-02 -4.56800309e-02 1.69967339e-13] [ 4.66662877e-02 4.56800309e-02 5.17919041e-14] [-4.16093802e-02 1.01082229e-02 -5.90551913e-14] [ 4.16093802e-02 -1.01082229e-02 -2.97539771e-14] [-9.65937400e-15 1.12176761e-13 7.67371958e-04] [ 1.33615341e-13 6.16728890e-14 -7.67371959e-04] [-4.66662877e-02 -4.56800309e-02 -6.67097825e-14] [ 4.66662877e-02 4.56800309e-02 -8.61646379e-14] [-4.16093802e-02 1.01082229e-02 1.02108372e-13] [ 4.16093802e-02 -1.01082229e-02 -1.21143678e-13] [ 4.41010076e-15 -2.67684059e-13 7.67371959e-04] [-8.98820948e-14 -2.90993571e-14 -7.67371959e-04] [ 2.33235899e-02 -2.32464589e-03 2.83571339e-03] [-2.33235899e-02 2.32464589e-03 2.83571339e-03] [-4.47123242e-03 -4.57250243e-02 5.87603412e-02] [ 4.47123242e-03 4.57250243e-02 5.87603412e-02] [ 2.33235899e-02 -2.32464589e-03 -2.83571339e-03] [-2.33235899e-02 2.32464589e-03 -2.83571339e-03] [ 4.47123242e-03 4.57250243e-02 -5.87603412e-02] [-4.47123242e-03 -4.57250243e-02 -5.87603412e-02] [ 2.33235899e-02 -2.32464589e-03 2.83571339e-03] [-2.33235899e-02 2.32464589e-03 2.83571339e-03] [-4.47123242e-03 -4.57250243e-02 5.87603412e-02] [ 4.47123242e-03 4.57250243e-02 5.87603412e-02] [ 2.33235899e-02 -2.32464589e-03 -2.83571339e-03] [-2.33235899e-02 2.32464589e-03 -2.83571339e-03] [ 4.47123242e-03 4.57250243e-02 -5.87603412e-02] [-4.47123242e-03 -4.57250243e-02 -5.87603412e-02] [ 3.46028761e-13 -4.01040312e-13 8.51763104e-13] [-4.90445792e-13 -1.76384709e-13 2.92163257e-13] [ 3.37633757e-02 -5.63815017e-03 -1.01284157e-02] [-3.37633757e-02 5.63815017e-03 -1.01284157e-02] [ 3.37633757e-02 -5.63815017e-03 1.01284157e-02] [-3.37633757e-02 5.63815017e-03 1.01284157e-02] [-1.24297536e-03 4.62160648e-02 1.86434855e-02] [-1.24297536e-03 4.62160648e-02 -1.86434855e-02] [ 1.24297536e-03 -4.62160648e-02 1.86434855e-02] [ 1.24297536e-03 -4.62160648e-02 -1.86434855e-02] [ 8.15672852e-02 1.04751264e-01 6.39821529e-13] [ 1.00120230e-01 -6.70281346e-02 4.69249639e-13] [-1.00120230e-01 6.70281346e-02 -3.08069542e-14] [-8.15672852e-02 -1.04751264e-01 3.72687992e-14] [ 3.37633757e-02 -5.63815017e-03 -1.01284157e-02] [-3.37633757e-02 5.63815017e-03 -1.01284157e-02] [ 3.37633757e-02 -5.63815017e-03 1.01284157e-02] [-3.37633757e-02 5.63815018e-03 1.01284157e-02] [-1.24297536e-03 4.62160648e-02 1.86434855e-02] [-1.24297536e-03 4.62160648e-02 -1.86434855e-02] [ 1.24297536e-03 -4.62160648e-02 1.86434855e-02] [ 1.24297536e-03 -4.62160648e-02 -1.86434855e-02] [ 8.15672852e-02 1.04751264e-01 7.82666183e-13] [ 1.00120230e-01 -6.70281346e-02 1.46522306e-13] [-1.00120230e-01 6.70281346e-02 5.46977233e-13] [-8.15672852e-02 -1.04751264e-01 6.20909140e-13]] Final stress: [ 4.31350058e-04 -1.24075433e-03 -1.17017385e-03 2.53091424e-16 8.99140584e-17 4.53986819e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.49706247e-02 4.49074852e-02 -1.58206239e-14] [ 4.49706247e-02 -4.49074852e-02 8.72080186e-14] [ 3.92177244e-02 1.76022609e-02 -3.39398648e-14] [-3.92177244e-02 -1.76022609e-02 7.86870569e-14] [ 1.07220222e-13 9.10148693e-14 7.62037613e-03] [ 4.74620343e-14 -8.17124146e-14 -7.62037613e-03] [-4.49706247e-02 4.49074852e-02 -7.11117678e-14] [ 4.49706247e-02 -4.49074852e-02 -2.19042345e-13] [ 3.92177244e-02 1.76022609e-02 2.43190350e-14] [-3.92177244e-02 -1.76022609e-02 -1.91980968e-13] [-1.65909821e-13 -1.58210789e-13 7.62037613e-03] [ 4.23489369e-15 1.36094623e-13 -7.62037613e-03] [ 4.77727501e-03 -4.65013354e-02 -6.18457683e-02] [-4.77727501e-03 4.65013354e-02 -6.18457683e-02] [-2.02984832e-02 -5.09585787e-03 -1.47656600e-03] [ 2.02984832e-02 5.09585788e-03 -1.47656600e-03] [ 4.77727501e-03 -4.65013354e-02 6.18457683e-02] [-4.77727501e-03 4.65013354e-02 6.18457683e-02] [ 2.02984832e-02 5.09585788e-03 1.47656600e-03] [-2.02984832e-02 -5.09585787e-03 1.47656600e-03] [ 4.77727501e-03 -4.65013354e-02 -6.18457683e-02] [-4.77727501e-03 4.65013354e-02 -6.18457683e-02] [-2.02984832e-02 -5.09585787e-03 -1.47656600e-03] [ 2.02984832e-02 5.09585788e-03 -1.47656600e-03] [ 4.77727501e-03 -4.65013354e-02 6.18457683e-02] [-4.77727501e-03 4.65013354e-02 6.18457683e-02] [ 2.02984832e-02 5.09585788e-03 1.47656600e-03] [-2.02984832e-02 -5.09585788e-03 1.47656600e-03] [ 1.61654024e-12 7.78266340e-14 1.00042197e-12] [ 4.84086295e-13 -4.19805455e-13 2.88509701e-14] [-4.16144649e-02 -3.02576466e-03 -7.65650089e-03] [ 4.16144649e-02 3.02576466e-03 -7.65650089e-03] [-4.16144649e-02 -3.02576466e-03 7.65650089e-03] [ 4.16144650e-02 3.02576466e-03 7.65650089e-03] [-5.49946895e-03 -5.44664942e-02 2.24792538e-02] [-5.49946896e-03 -5.44664942e-02 -2.24792538e-02] [ 5.49946895e-03 5.44664942e-02 2.24792538e-02] [ 5.49946896e-03 5.44664942e-02 -2.24792538e-02] [-1.07699276e-01 -6.51040428e-02 9.45576950e-13] [-7.91372267e-02 1.09964819e-01 1.57910143e-13] [ 7.91372267e-02 -1.09964819e-01 -9.61418445e-14] [ 1.07699276e-01 6.51040428e-02 -8.15559100e-14] [-4.16144649e-02 -3.02576466e-03 -7.65650089e-03] [ 4.16144649e-02 3.02576466e-03 -7.65650089e-03] [-4.16144649e-02 -3.02576466e-03 7.65650089e-03] [ 4.16144649e-02 3.02576466e-03 7.65650089e-03] [-5.49946895e-03 -5.44664942e-02 2.24792538e-02] [-5.49946896e-03 -5.44664942e-02 -2.24792538e-02] [ 5.49946895e-03 5.44664942e-02 2.24792538e-02] [ 5.49946895e-03 5.44664942e-02 -2.24792538e-02] [-1.07699276e-01 -6.51040428e-02 3.94969853e-13] [-7.91372267e-02 1.09964819e-01 7.83960353e-13] [ 7.91372267e-02 -1.09964819e-01 9.87218011e-13] [ 1.07699276e-01 6.51040428e-02 7.84762880e-13]] Final stress: [ 3.75054977e-04 -1.29300679e-03 -1.20559099e-03 -2.66412025e-17 9.32442087e-17 -4.87948831e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.59286118e-02 -1.00928380e-13 1.35750786e-13] [-5.59286118e-02 -1.10300657e-13 -8.14903700e-14] [ 1.30378347e-13 1.02074803e-01 6.31985783e-14] [-8.85957974e-14 -1.02074803e-01 -3.70536934e-14] [-1.45929276e-14 -7.99846300e-14 5.59286118e-02] [ 4.43256543e-14 -9.75053371e-14 -5.59286118e-02] [ 5.59286118e-02 1.34187366e-13 -2.67469182e-14] [-5.59286118e-02 7.32001265e-14 -4.07926115e-14] [-1.10508824e-13 1.02074803e-01 4.08960988e-14] [ 1.04105093e-14 -1.02074803e-01 -4.48212145e-14] [-1.53392056e-13 6.16284506e-14 5.59286118e-02] [-1.35716959e-13 1.59887931e-13 -5.59286118e-02] [ 1.48181842e-02 -2.35695530e-03 1.48181842e-02] [-1.48181842e-02 2.35695530e-03 1.48181842e-02] [-1.48181842e-02 -2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 -2.35695530e-03 -1.48181842e-02] [-1.48181842e-02 2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 2.35695530e-03 1.48181842e-02] [-1.48181842e-02 -2.35695530e-03 1.48181842e-02] [ 1.48181842e-02 -2.35695530e-03 1.48181842e-02] [-1.48181842e-02 2.35695530e-03 1.48181842e-02] [-1.48181842e-02 -2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 -2.35695530e-03 -1.48181842e-02] [-1.48181842e-02 2.35695530e-03 -1.48181842e-02] [ 1.48181842e-02 2.35695530e-03 1.48181842e-02] [-1.48181842e-02 -2.35695530e-03 1.48181842e-02] [ 2.93431945e-13 -3.14692716e-13 5.03069808e-13] [-7.98563472e-13 -4.65980709e-13 -8.60417615e-14] [-2.07056594e-13 2.50761770e-02 1.31060300e-03] [-6.11359921e-13 -2.50761770e-02 1.31060300e-03] [-3.97855360e-13 2.50761770e-02 -1.31060300e-03] [ 1.32106132e-13 -2.50761770e-02 -1.31060300e-03] [ 3.77155613e-02 -4.03788114e-13 3.77155613e-02] [ 3.77155613e-02 -7.99731809e-13 -3.77155613e-02] [-3.77155613e-02 -8.15150031e-13 3.77155613e-02] [-3.77155613e-02 -4.89432598e-13 -3.77155613e-02] [ 1.31060300e-03 2.50761770e-02 3.07531778e-14] [-1.31060300e-03 2.50761770e-02 -1.48507942e-13] [ 1.31060300e-03 -2.50761770e-02 -6.88130108e-14] [-1.31060300e-03 -2.50761770e-02 -1.46911996e-13] [-4.57685105e-14 2.50761770e-02 1.31060300e-03] [-7.69917984e-14 -2.50761770e-02 1.31060300e-03] [ 7.03560474e-13 2.50761770e-02 -1.31060300e-03] [ 6.41723653e-13 -2.50761770e-02 -1.31060300e-03] [ 3.77155613e-02 -2.12802429e-13 3.77155613e-02] [ 3.77155613e-02 2.69031108e-13 -3.77155613e-02] [-3.77155613e-02 3.91819823e-13 3.77155613e-02] [-3.77155613e-02 2.47734992e-13 -3.77155613e-02] [ 1.31060300e-03 2.50761770e-02 2.97069195e-13] [-1.31060300e-03 2.50761770e-02 3.84586069e-13] [ 1.31060301e-03 -2.50761770e-02 7.07239797e-13] [-1.31060300e-03 -2.50761770e-02 -1.78658737e-13]] Final stress: [ 1.50193862e-03 -1.26334545e-03 1.50193862e-03 -0.00000000e+00 1.65747237e-18 1.57459875e-16] Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.47086186e-01 2.57594987e-12 8.70039880e-13] [ 3.47086186e-01 5.59163826e-13 -5.75484105e-13] [-1.11650402e-12 9.31649023e-02 2.27535829e-12] [-1.26088029e-12 -9.31649023e-02 -2.00264805e-12] [-1.36672531e-12 -1.12186172e-12 9.31649023e-02] [-3.80948051e-12 4.85350649e-12 -9.31649023e-02] [-3.47086186e-01 -1.14367153e-12 1.31876887e-12] [ 3.47086186e-01 3.17007835e-12 -3.01935475e-12] [-7.68950875e-14 9.31649023e-02 -4.57052645e-13] [-1.61081825e-12 -9.31649023e-02 6.06909807e-13] [-4.69720573e-12 4.89372125e-12 9.31649023e-02] [ 1.43320468e-12 1.20717815e-12 -9.31649023e-02] [ 4.09660844e-02 -2.36546984e-03 -2.36546985e-03] [-4.09660844e-02 2.36546984e-03 -2.36546985e-03] [-4.09660844e-02 -2.36546984e-03 2.36546985e-03] [ 4.09660844e-02 2.36546984e-03 2.36546985e-03] [ 4.09660844e-02 -2.36546985e-03 2.36546985e-03] [-4.09660844e-02 2.36546985e-03 2.36546985e-03] [ 4.09660844e-02 2.36546985e-03 -2.36546985e-03] [-4.09660844e-02 -2.36546984e-03 -2.36546985e-03] [ 4.09660844e-02 -2.36546985e-03 -2.36546985e-03] [-4.09660844e-02 2.36546985e-03 -2.36546985e-03] [-4.09660844e-02 -2.36546985e-03 2.36546984e-03] [ 4.09660844e-02 2.36546985e-03 2.36546984e-03] [ 4.09660844e-02 -2.36546985e-03 2.36546984e-03] [-4.09660844e-02 2.36546985e-03 2.36546984e-03] [ 4.09660844e-02 2.36546985e-03 -2.36546986e-03] [-4.09660844e-02 -2.36546985e-03 -2.36546984e-03] [ 1.18752508e-11 -5.01454434e-12 6.61287691e-12] [ 1.36332590e-11 1.71626860e-12 -3.14684544e-12] [ 2.98172598e-12 3.81361656e-02 3.81361656e-02] [-1.11019839e-11 -3.81361656e-02 3.81361656e-02] [ 1.25658962e-11 3.81361656e-02 -3.81361655e-02] [ 2.93372618e-12 -3.81361656e-02 -3.81361656e-02] [-1.61650205e-02 -1.17704735e-11 -9.55629352e-02] [-1.61650205e-02 -8.24324463e-12 9.55629352e-02] [ 1.61650205e-02 -2.67808345e-12 -9.55629352e-02] [ 1.61650205e-02 -9.04619015e-12 9.55629352e-02] [-1.61650205e-02 -9.55629352e-02 4.10238510e-12] [ 1.61650205e-02 -9.55629352e-02 3.17380323e-12] [-1.61650205e-02 9.55629352e-02 9.43608299e-12] [ 1.61650205e-02 9.55629352e-02 -1.58265726e-12] [ 3.68143893e-12 3.81361656e-02 3.81361656e-02] [-2.51821572e-12 -3.81361656e-02 3.81361656e-02] [ 2.28415998e-12 3.81361655e-02 -3.81361656e-02] [ 1.10559704e-11 -3.81361655e-02 -3.81361656e-02] [-1.61650205e-02 -1.16389820e-11 -9.55629352e-02] [-1.61650205e-02 -6.70253783e-15 9.55629352e-02] [ 1.61650205e-02 -1.19472873e-11 -9.55629352e-02] [ 1.61650205e-02 -8.92140311e-12 9.55629352e-02] [-1.61650205e-02 -9.55629352e-02 9.30830391e-12] [ 1.61650205e-02 -9.55629352e-02 8.82412828e-12] [-1.61650205e-02 9.55629352e-02 -8.17035849e-12] [ 1.61650205e-02 9.55629352e-02 1.72922137e-12]] Final stress: [ 7.72751002e-04 4.81783609e-05 4.81783609e-05 -8.13817045e-16 -4.68732098e-15 4.97074810e-15] Minimization converged after 35 steps. Minimization converged after 35 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.76428257e-03 2.92188149e-14 1.78124876e-13] [-1.76428257e-03 -4.56024107e-14 1.50462975e-13] [ 7.90166543e-14 -2.34290845e-02 7.87846351e-14] [ 6.37545572e-14 2.34290845e-02 -3.45834472e-14] [ 3.23213678e-14 -9.23349938e-14 -2.34290845e-02] [-1.59317004e-14 -2.46747067e-14 2.34290845e-02] [ 1.76428257e-03 1.59871248e-13 4.07110334e-14] [-1.76428257e-03 1.19578826e-14 2.95081115e-14] [-1.39512100e-13 -2.34290845e-02 -7.13577843e-14] [-1.23798541e-14 2.34290845e-02 -8.93838253e-14] [-4.51899802e-14 3.17323918e-14 -2.34290845e-02] [-5.97122178e-14 5.41559665e-14 2.34290845e-02] [-1.19318179e-02 -1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 -1.31189231e-03 1.31189231e-03] [-1.19318179e-02 1.31189231e-03 1.31189231e-03] [-1.19318179e-02 -1.31189231e-03 1.31189231e-03] [ 1.19318179e-02 1.31189231e-03 1.31189231e-03] [-1.19318179e-02 1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 -1.31189231e-03 -1.31189231e-03] [-1.19318179e-02 -1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 -1.31189231e-03 1.31189231e-03] [-1.19318179e-02 1.31189231e-03 1.31189231e-03] [-1.19318179e-02 -1.31189231e-03 1.31189231e-03] [ 1.19318179e-02 1.31189231e-03 1.31189231e-03] [-1.19318179e-02 1.31189231e-03 -1.31189231e-03] [ 1.19318179e-02 -1.31189231e-03 -1.31189231e-03] [ 3.02036174e-13 -2.01172412e-13 7.06407155e-13] [-3.51767660e-13 -3.17793645e-13 1.39459810e-13] [-1.21902488e-13 6.31298970e-03 6.31298970e-03] [ 2.97643854e-14 -6.31298970e-03 6.31298970e-03] [ 4.31599201e-14 6.31298970e-03 -6.31298970e-03] [ 8.01117136e-14 -6.31298970e-03 -6.31298970e-03] [-5.02550234e-03 1.41997525e-13 -5.33722108e-03] [-5.02550234e-03 6.26391300e-14 5.33722108e-03] [ 5.02550234e-03 -7.00307867e-14 -5.33722108e-03] [ 5.02550234e-03 -2.23085439e-13 5.33722108e-03] [-5.02550234e-03 -5.33722108e-03 -6.05071548e-14] [ 5.02550234e-03 -5.33722108e-03 -3.00003078e-13] [-5.02550234e-03 5.33722108e-03 1.41499659e-13] [ 5.02550234e-03 5.33722108e-03 -4.73406037e-15] [ 1.07945770e-13 6.31298970e-03 6.31298970e-03] [ 2.55948908e-13 -6.31298970e-03 6.31298970e-03] [ 2.82324511e-13 6.31298970e-03 -6.31298970e-03] [ 2.72074464e-13 -6.31298970e-03 -6.31298970e-03] [-5.02550234e-03 -1.64101326e-13 -5.33722108e-03] [-5.02550234e-03 -1.47999885e-13 5.33722108e-03] [ 5.02550234e-03 -4.45712911e-13 -5.33722108e-03] [ 5.02550234e-03 2.90349342e-14 5.33722108e-03] [-5.02550234e-03 -5.33722108e-03 3.12929415e-13] [ 5.02550234e-03 -5.33722108e-03 3.35664459e-13] [-5.02550234e-03 5.33722108e-03 2.91951129e-13] [ 5.02550234e-03 5.33722108e-03 2.05922952e-13]] Final stress: [-1.43349053e-03 -3.22569768e-04 -3.22569768e-04 -5.00284756e-18 1.98446286e-16 1.53420658e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.05119327e-03 4.57611379e-14 2.30349594e-14] [-2.05119327e-03 8.57647287e-15 2.98927549e-14] [ 6.08857582e-14 1.30517650e-02 -1.15391202e-03] [ 9.46465128e-14 -1.30517650e-02 1.15391202e-03] [ 9.22894573e-14 -2.78800666e-04 2.71675984e-03] [ 2.70061751e-14 2.78800666e-04 -2.71675984e-03] [ 2.05119327e-03 3.72609929e-14 -1.03499388e-14] [-2.05119327e-03 4.82552366e-14 1.68867038e-14] [-8.73563374e-15 1.30517650e-02 -1.15391202e-03] [-3.29458683e-14 -1.30517650e-02 1.15391202e-03] [-2.75222553e-14 -2.78800666e-04 2.71675984e-03] [-3.05827412e-14 2.78800666e-04 -2.71675984e-03] [ 1.11960721e-02 -1.82906314e-03 4.00017970e-03] [ 4.37717563e-03 2.29858995e-03 3.34826513e-03] [ 4.37717563e-03 -2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 -2.29858995e-03 -3.34826513e-03] [-1.11960721e-02 1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 2.29858995e-03 3.34826513e-03] [-1.11960721e-02 -1.82906314e-03 4.00017970e-03] [ 1.11960721e-02 -1.82906314e-03 4.00017970e-03] [ 4.37717563e-03 2.29858995e-03 3.34826513e-03] [ 4.37717563e-03 -2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 -2.29858995e-03 -3.34826513e-03] [-1.11960721e-02 1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 2.29858995e-03 3.34826513e-03] [-1.11960721e-02 -1.82906314e-03 4.00017970e-03] [ 3.81611409e-13 -1.47964974e-13 1.78246307e-13] [-2.41568484e-13 -2.56079711e-13 -2.27395058e-13] [-1.79967152e-13 9.15954283e-03 1.17408051e-02] [-1.18790394e-13 9.21834098e-03 -7.35718547e-03] [-8.83095680e-14 -9.21834098e-03 7.35718547e-03] [ 2.17291463e-14 -9.15954283e-03 -1.17408051e-02] [ 6.38564806e-03 5.86441755e-03 6.43732454e-03] [ 6.38564806e-03 -5.86441755e-03 -6.43732454e-03] [-6.38564806e-03 5.86441755e-03 6.43732454e-03] [-6.38564806e-03 -5.86441755e-03 -6.43732454e-03] [ 2.05595095e-03 -9.68701223e-05 6.32763714e-03] [-2.05595095e-03 -9.68701224e-05 6.32763714e-03] [ 2.05595095e-03 9.68701224e-05 -6.32763714e-03] [-2.05595095e-03 9.68701226e-05 -6.32763714e-03] [ 3.78768197e-14 9.15954283e-03 1.17408051e-02] [ 4.22266389e-14 9.21834098e-03 -7.35718547e-03] [ 1.22316653e-13 -9.21834098e-03 7.35718547e-03] [ 2.15766207e-13 -9.15954283e-03 -1.17408051e-02] [ 6.38564806e-03 5.86441755e-03 6.43732454e-03] [ 6.38564806e-03 -5.86441755e-03 -6.43732454e-03] [-6.38564806e-03 5.86441755e-03 6.43732454e-03] [-6.38564806e-03 -5.86441755e-03 -6.43732454e-03] [ 2.05595095e-03 -9.68701224e-05 6.32763714e-03] [-2.05595095e-03 -9.68701223e-05 6.32763714e-03] [ 2.05595095e-03 9.68701226e-05 -6.32763714e-03] [-2.05595095e-03 9.68701222e-05 -6.32763714e-03]] Final stress: [ 5.95378737e-04 -2.08092313e-04 6.02023558e-04 6.90583168e-04 8.63200769e-17 3.15400281e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.05119327e-03 -1.04404332e-14 1.21434980e-14] [-2.05119327e-03 2.27595720e-14 6.67521594e-14] [ 2.39795163e-14 1.30517650e-02 1.15391202e-03] [-2.99205105e-14 -1.30517650e-02 -1.15391202e-03] [-1.02738998e-14 2.78800666e-04 2.71675984e-03] [ 4.58799665e-14 -2.78800666e-04 -2.71675984e-03] [ 2.05119327e-03 2.30115406e-14 -6.31179306e-15] [-2.05119327e-03 9.00711797e-15 -3.78483340e-14] [-5.43120236e-14 1.30517650e-02 1.15391202e-03] [-5.78621352e-14 -1.30517650e-02 -1.15391202e-03] [-1.73372601e-14 2.78800666e-04 2.71675984e-03] [ 5.00077410e-15 -2.78800666e-04 -2.71675984e-03] [-4.37717563e-03 -2.29858995e-03 3.34826513e-03] [-1.11960721e-02 1.82906314e-03 4.00017970e-03] [-1.11960721e-02 -1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 -1.82906314e-03 -4.00017970e-03] [ 4.37717563e-03 2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 1.82906314e-03 4.00017970e-03] [ 4.37717563e-03 -2.29858995e-03 3.34826513e-03] [-4.37717563e-03 -2.29858996e-03 3.34826513e-03] [-1.11960721e-02 1.82906314e-03 4.00017970e-03] [-1.11960721e-02 -1.82906314e-03 -4.00017970e-03] [-4.37717563e-03 2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 -1.82906314e-03 -4.00017970e-03] [ 4.37717563e-03 2.29858995e-03 -3.34826513e-03] [ 1.11960721e-02 1.82906314e-03 4.00017970e-03] [ 4.37717563e-03 -2.29858995e-03 3.34826513e-03] [ 2.06806794e-13 -2.49689158e-13 4.69069228e-14] [ 7.09762110e-15 -3.02034497e-14 8.16341911e-14] [-1.86517468e-14 -9.21834098e-03 -7.35718547e-03] [ 3.50171281e-14 -9.15954283e-03 1.17408051e-02] [ 7.48429096e-14 9.15954283e-03 -1.17408051e-02] [ 6.94756752e-14 9.21834098e-03 7.35718547e-03] [ 6.38564806e-03 -5.86441755e-03 6.43732454e-03] [ 6.38564806e-03 5.86441755e-03 -6.43732454e-03] [-6.38564806e-03 -5.86441755e-03 6.43732454e-03] [-6.38564806e-03 5.86441755e-03 -6.43732454e-03] [ 2.05595095e-03 -9.68701227e-05 -6.32763714e-03] [-2.05595095e-03 -9.68701226e-05 -6.32763714e-03] [ 2.05595095e-03 9.68701228e-05 6.32763714e-03] [-2.05595095e-03 9.68701227e-05 6.32763714e-03] [ 5.81357879e-14 -9.21834098e-03 -7.35718547e-03] [ 4.63591839e-14 -9.15954283e-03 1.17408051e-02] [ 6.50998352e-15 9.15954283e-03 -1.17408051e-02] [ 3.09452984e-14 9.21834098e-03 7.35718547e-03] [ 6.38564806e-03 -5.86441755e-03 6.43732454e-03] [ 6.38564806e-03 5.86441755e-03 -6.43732454e-03] [-6.38564806e-03 -5.86441755e-03 6.43732454e-03] [-6.38564806e-03 5.86441755e-03 -6.43732454e-03] [ 2.05595095e-03 -9.68701224e-05 -6.32763714e-03] [-2.05595095e-03 -9.68701224e-05 -6.32763714e-03] [ 2.05595095e-03 9.68701222e-05 6.32763714e-03] [-2.05595095e-03 9.68701223e-05 6.32763714e-03]] Final stress: [ 5.95378737e-04 -2.08092312e-04 6.02023558e-04 -6.90583168e-04 -1.52720136e-16 7.47000666e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.15140324e-03 4.74689732e-14 2.89382233e-14] [ 3.15140324e-03 -8.90121310e-14 1.04249942e-13] [-4.27960618e-14 -4.62869293e-02 -4.35506027e-02] [ 1.28175248e-13 4.62869293e-02 4.35506027e-02] [ 6.30545963e-14 -4.07441087e-02 4.72291598e-03] [-2.81996648e-14 4.07441087e-02 -4.72291598e-03] [-3.15140324e-03 -3.18256706e-14 -5.36411442e-14] [ 3.15140324e-03 1.05626879e-13 -5.63660112e-14] [ 1.01524691e-13 -4.62869293e-02 -4.35506027e-02] [-9.63569502e-14 4.62869293e-02 4.35506027e-02] [-3.76304890e-14 -4.07441087e-02 4.72291598e-03] [-4.58175164e-14 4.07441087e-02 -4.72291598e-03] [ 3.86925938e-03 2.38271759e-02 -1.62210793e-03] [ 5.36253066e-02 -4.94289711e-03 -4.13384769e-02] [ 5.36253066e-02 4.94289711e-03 4.13384769e-02] [ 3.86925938e-03 -2.38271759e-02 1.62210793e-03] [-5.36253066e-02 4.94289711e-03 4.13384769e-02] [-3.86925938e-03 -2.38271759e-02 1.62210793e-03] [-5.36253066e-02 -4.94289712e-03 -4.13384769e-02] [-3.86925938e-03 2.38271759e-02 -1.62210793e-03] [ 3.86925938e-03 2.38271759e-02 -1.62210793e-03] [ 5.36253066e-02 -4.94289712e-03 -4.13384769e-02] [ 5.36253066e-02 4.94289712e-03 4.13384769e-02] [ 3.86925938e-03 -2.38271759e-02 1.62210793e-03] [-5.36253066e-02 4.94289712e-03 4.13384769e-02] [-3.86925938e-03 -2.38271759e-02 1.62210793e-03] [-5.36253066e-02 -4.94289711e-03 -4.13384769e-02] [-3.86925938e-03 2.38271759e-02 -1.62210793e-03] [ 3.86690679e-13 -3.25878213e-13 7.14067694e-13] [-6.18211211e-13 -8.21963258e-13 -1.19543485e-13] [ 1.92734717e-13 7.05465951e-02 9.77884195e-02] [-1.99248604e-13 9.21828961e-02 -5.74680575e-02] [ 4.70026795e-13 -9.21828961e-02 5.74680575e-02] [-4.03403005e-13 -7.05465951e-02 -9.77884195e-02] [-1.21228675e-02 2.83121408e-02 -8.40881084e-03] [-1.21228675e-02 -2.83121408e-02 8.40881084e-03] [ 1.21228675e-02 2.83121408e-02 -8.40881084e-03] [ 1.21228675e-02 -2.83121408e-02 8.40881084e-03] [ 1.98686032e-02 -4.25988855e-03 3.91459909e-02] [-1.98686032e-02 -4.25988855e-03 3.91459909e-02] [ 1.98686032e-02 4.25988855e-03 -3.91459909e-02] [-1.98686032e-02 4.25988855e-03 -3.91459909e-02] [ 9.26433409e-14 7.05465951e-02 9.77884195e-02] [ 7.97720397e-13 9.21828961e-02 -5.74680575e-02] [-5.97495144e-14 -9.21828961e-02 5.74680575e-02] [ 3.78500183e-13 -7.05465951e-02 -9.77884195e-02] [-1.21228675e-02 2.83121408e-02 -8.40881084e-03] [-1.21228675e-02 -2.83121408e-02 8.40881084e-03] [ 1.21228675e-02 2.83121408e-02 -8.40881084e-03] [ 1.21228675e-02 -2.83121408e-02 8.40881084e-03] [ 1.98686032e-02 -4.25988855e-03 3.91459909e-02] [-1.98686032e-02 -4.25988855e-03 3.91459909e-02] [ 1.98686032e-02 4.25988855e-03 -3.91459909e-02] [-1.98686032e-02 4.25988855e-03 -3.91459909e-02]] Final stress: [-1.11273830e-03 5.73650144e-04 -1.15956826e-03 4.34533142e-04 5.82776304e-17 1.83158267e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.35496631e-03 -8.39870708e-14 9.91528908e-14] [-5.35496631e-03 1.03528297e-13 7.31636973e-14] [ 7.17886037e-14 -4.52019829e-02 4.53996548e-02] [ 4.30766534e-14 4.52019829e-02 -4.53996548e-02] [ 1.85565105e-13 4.05089415e-02 1.50960573e-02] [ 8.74578188e-14 -4.05089415e-02 -1.50960573e-02] [ 5.35496631e-03 4.83315644e-14 1.26196311e-14] [-5.35496631e-03 -8.60813157e-14 -3.58671663e-14] [-2.13468999e-13 -4.52019829e-02 4.53996548e-02] [-5.28609274e-14 4.52019829e-02 -4.53996548e-02] [-1.07592754e-13 4.05089415e-02 1.50960573e-02] [-6.37554246e-14 -4.05089415e-02 -1.50960573e-02] [-6.03911875e-02 4.53848580e-03 -4.62973273e-02] [-1.63606910e-03 -2.12756089e-02 -4.03956120e-03] [-1.63606910e-03 2.12756089e-02 4.03956120e-03] [-6.03911875e-02 -4.53848580e-03 4.62973273e-02] [ 1.63606910e-03 2.12756089e-02 4.03956120e-03] [ 6.03911875e-02 -4.53848580e-03 4.62973273e-02] [ 1.63606910e-03 -2.12756089e-02 -4.03956120e-03] [ 6.03911875e-02 4.53848580e-03 -4.62973273e-02] [-6.03911875e-02 4.53848580e-03 -4.62973273e-02] [-1.63606910e-03 -2.12756089e-02 -4.03956120e-03] [-1.63606910e-03 2.12756089e-02 4.03956120e-03] [-6.03911875e-02 -4.53848580e-03 4.62973273e-02] [ 1.63606910e-03 2.12756089e-02 4.03956120e-03] [ 6.03911875e-02 -4.53848580e-03 4.62973273e-02] [ 1.63606910e-03 -2.12756089e-02 -4.03956120e-03] [ 6.03911875e-02 4.53848580e-03 -4.62973273e-02] [ 1.10222942e-12 -1.51656465e-13 5.77426995e-13] [-6.13154059e-13 -8.05916454e-13 -5.22916029e-13] [-7.27307103e-13 -1.03061695e-01 -6.75280520e-02] [-2.15088364e-14 -8.17509073e-02 1.06119680e-01] [-4.37951758e-13 8.17509073e-02 -1.06119680e-01] [ 3.97530601e-13 1.03061695e-01 6.75280520e-02] [-8.81754149e-03 -3.87850490e-02 -4.22183441e-03] [-8.81754149e-03 3.87850490e-02 4.22183441e-03] [ 8.81754149e-03 -3.87850490e-02 -4.22183441e-03] [ 8.81754149e-03 3.87850490e-02 4.22183441e-03] [ 1.92279964e-02 -2.16672902e-03 -5.15235034e-02] [-1.92279964e-02 -2.16672902e-03 -5.15235034e-02] [ 1.92279964e-02 2.16672902e-03 5.15235034e-02] [-1.92279964e-02 2.16672902e-03 5.15235034e-02] [ 4.81387066e-13 -1.03061695e-01 -6.75280520e-02] [ 2.88661022e-13 -8.17509073e-02 1.06119680e-01] [ 2.04343487e-13 8.17509073e-02 -1.06119680e-01] [ 3.25023862e-13 1.03061695e-01 6.75280520e-02] [-8.81754149e-03 -3.87850490e-02 -4.22183441e-03] [-8.81754149e-03 3.87850490e-02 4.22183441e-03] [ 8.81754149e-03 -3.87850490e-02 -4.22183441e-03] [ 8.81754149e-03 3.87850490e-02 4.22183441e-03] [ 1.92279964e-02 -2.16672902e-03 -5.15235034e-02] [-1.92279964e-02 -2.16672902e-03 -5.15235034e-02] [ 1.92279964e-02 2.16672902e-03 5.15235034e-02] [-1.92279964e-02 2.16672902e-03 5.15235034e-02]] Final stress: [-1.18727953e-03 3.94243628e-04 -1.26890364e-03 -4.72079844e-04 1.31540937e-16 -2.01474094e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.10605574e-03 3.91665866e-14 -1.47372958e-03] [-3.10605574e-03 3.74145159e-14 1.47372958e-03] [-2.11896473e-15 1.42383043e-02 -3.29493377e-14] [-8.24340596e-15 -1.42383043e-02 -6.36990460e-14] [-1.47372958e-03 2.24828836e-14 3.10605574e-03] [ 1.47372958e-03 4.13558077e-14 -3.10605574e-03] [ 3.10605574e-03 -3.56307865e-14 -1.47372958e-03] [-3.10605574e-03 3.15719673e-15 1.47372958e-03] [ 6.15956938e-15 1.42383043e-02 3.23945845e-14] [-4.35593402e-14 -1.42383043e-02 4.17004205e-14] [-1.47372958e-03 -2.69669137e-14 3.10605574e-03] [ 1.47372958e-03 1.97316929e-14 -3.10605574e-03] [ 4.59901782e-03 6.65264607e-03 4.59901782e-03] [-3.75808772e-03 1.15350348e-02 3.75808772e-03] [-4.59901782e-03 6.65264607e-03 -4.59901782e-03] [ 3.75808772e-03 1.15350348e-02 -3.75808772e-03] [ 3.75808772e-03 -1.15350348e-02 -3.75808772e-03] [-4.59901782e-03 -6.65264607e-03 -4.59901782e-03] [ 4.59901782e-03 -6.65264607e-03 4.59901782e-03] [-3.75808772e-03 -1.15350348e-02 3.75808772e-03] [ 4.59901782e-03 6.65264607e-03 4.59901782e-03] [-3.75808772e-03 1.15350348e-02 3.75808772e-03] [-4.59901782e-03 6.65264607e-03 -4.59901782e-03] [ 3.75808772e-03 1.15350348e-02 -3.75808772e-03] [ 3.75808772e-03 -1.15350348e-02 -3.75808772e-03] [-4.59901782e-03 -6.65264607e-03 -4.59901782e-03] [ 4.59901782e-03 -6.65264607e-03 4.59901782e-03] [-3.75808772e-03 -1.15350348e-02 3.75808772e-03] [ 1.33476563e-13 -2.36616282e-13 2.44970710e-13] [-2.66848176e-13 -1.30986368e-13 2.29909295e-13] [ 6.89944258e-03 -2.60129699e-04 3.01746541e-03] [ 6.89944258e-03 2.60129699e-04 3.01746541e-03] [-6.89944258e-03 -2.60129699e-04 -3.01746541e-03] [-6.89944258e-03 2.60129699e-04 -3.01746541e-03] [ 1.77611739e-02 -1.49991131e-13 1.77611739e-02] [-2.93416244e-03 -1.62708388e-13 2.93416244e-03] [ 2.93416244e-03 -8.61116733e-15 -2.93416244e-03] [-1.77611739e-02 9.91689370e-14 -1.77611739e-02] [ 3.01746541e-03 -2.60129699e-04 6.89944258e-03] [-3.01746541e-03 -2.60129699e-04 -6.89944258e-03] [ 3.01746541e-03 2.60129699e-04 6.89944258e-03] [-3.01746541e-03 2.60129699e-04 -6.89944258e-03] [ 6.89944258e-03 -2.60129699e-04 3.01746541e-03] [ 6.89944258e-03 2.60129699e-04 3.01746541e-03] [-6.89944258e-03 -2.60129699e-04 -3.01746541e-03] [-6.89944258e-03 2.60129699e-04 -3.01746541e-03] [ 1.77611739e-02 -2.84868201e-13 1.77611739e-02] [-2.93416244e-03 -7.96212055e-14 2.93416244e-03] [ 2.93416244e-03 -2.47260545e-13 -2.93416244e-03] [-1.77611739e-02 -2.33555363e-13 -1.77611739e-02] [ 3.01746541e-03 -2.60129699e-04 6.89944258e-03] [-3.01746541e-03 -2.60129699e-04 -6.89944258e-03] [ 3.01746541e-03 2.60129699e-04 6.89944258e-03] [-3.01746541e-03 2.60129699e-04 -6.89944258e-03]] Final stress: [ 6.04236907e-04 -2.69759453e-04 6.04236907e-04 -2.98800267e-17 6.91201874e-04 2.15800193e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.10605574e-03 9.01058742e-15 1.47372958e-03] [-3.10605574e-03 -1.95121697e-14 -1.47372958e-03] [ 5.18179250e-14 1.42383043e-02 1.37216627e-14] [ 1.07858167e-13 -1.42383043e-02 5.37347944e-14] [ 1.47372958e-03 -2.98251007e-14 3.10605574e-03] [-1.47372958e-03 2.26485497e-14 -3.10605574e-03] [ 3.10605574e-03 -4.99609035e-14 1.47372958e-03] [-3.10605574e-03 4.92531363e-15 -1.47372958e-03] [ 2.88562577e-14 1.42383043e-02 3.94749456e-14] [-2.29651367e-14 -1.42383043e-02 3.08262166e-14] [ 1.47372958e-03 -4.69368720e-16 3.10605574e-03] [-1.47372958e-03 2.37828102e-14 -3.10605574e-03] [ 3.75808772e-03 -1.15350348e-02 3.75808772e-03] [-4.59901782e-03 -6.65264607e-03 4.59901782e-03] [-3.75808772e-03 -1.15350348e-02 -3.75808772e-03] [ 4.59901782e-03 -6.65264607e-03 -4.59901782e-03] [ 4.59901782e-03 6.65264607e-03 -4.59901782e-03] [-3.75808772e-03 1.15350348e-02 -3.75808772e-03] [ 3.75808772e-03 1.15350348e-02 3.75808772e-03] [-4.59901782e-03 6.65264607e-03 4.59901782e-03] [ 3.75808772e-03 -1.15350348e-02 3.75808772e-03] [-4.59901782e-03 -6.65264607e-03 4.59901782e-03] [-3.75808772e-03 -1.15350348e-02 -3.75808772e-03] [ 4.59901782e-03 -6.65264607e-03 -4.59901782e-03] [ 4.59901782e-03 6.65264607e-03 -4.59901782e-03] [-3.75808772e-03 1.15350348e-02 -3.75808772e-03] [ 3.75808772e-03 1.15350348e-02 3.75808772e-03] [-4.59901782e-03 6.65264607e-03 4.59901782e-03] [ 3.12527781e-14 -1.58206781e-13 1.80688797e-13] [ 6.20944268e-14 -1.49778464e-13 1.05340998e-15] [-6.89944258e-03 -2.60129699e-04 3.01746541e-03] [-6.89944258e-03 2.60129699e-04 3.01746541e-03] [ 6.89944258e-03 -2.60129699e-04 -3.01746541e-03] [ 6.89944258e-03 2.60129699e-04 -3.01746541e-03] [-2.93416244e-03 1.36557432e-13 -2.93416244e-03] [ 1.77611739e-02 1.96559782e-13 -1.77611739e-02] [-1.77611739e-02 8.24895707e-14 1.77611739e-02] [ 2.93416244e-03 3.99801720e-14 2.93416244e-03] [ 3.01746541e-03 -2.60129699e-04 -6.89944258e-03] [-3.01746541e-03 -2.60129699e-04 6.89944258e-03] [ 3.01746541e-03 2.60129699e-04 -6.89944258e-03] [-3.01746541e-03 2.60129699e-04 6.89944258e-03] [-6.89944258e-03 -2.60129699e-04 3.01746541e-03] [-6.89944258e-03 2.60129699e-04 3.01746541e-03] [ 6.89944258e-03 -2.60129699e-04 -3.01746541e-03] [ 6.89944258e-03 2.60129699e-04 -3.01746541e-03] [-2.93416244e-03 -1.85224969e-13 -2.93416244e-03] [ 1.77611739e-02 -3.02347123e-13 -1.77611739e-02] [-1.77611739e-02 -2.51498041e-13 1.77611739e-02] [ 2.93416244e-03 -2.35446211e-13 2.93416244e-03] [ 3.01746541e-03 -2.60129699e-04 -6.89944258e-03] [-3.01746541e-03 -2.60129699e-04 6.89944258e-03] [ 3.01746541e-03 2.60129699e-04 -6.89944258e-03] [-3.01746541e-03 2.60129699e-04 6.89944258e-03]] Final stress: [ 6.04236907e-04 -2.69759453e-04 6.04236907e-04 -2.10820189e-16 -6.91201874e-04 -4.48200401e-17] Minimization converged after 30 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.71675984e-03 -2.78800667e-04 5.69470686e-14] [-2.71675984e-03 2.78800667e-04 4.85722573e-15] [-1.15391202e-03 1.30517650e-02 6.64494501e-14] [ 1.15391202e-03 -1.30517650e-02 3.71369602e-14] [-8.99757699e-15 -4.72920314e-14 2.05119327e-03] [-1.11577414e-14 -2.47024623e-15 -2.05119327e-03] [ 2.71675984e-03 -2.78800667e-04 -3.66914349e-14] [-2.71675984e-03 2.78800667e-04 -1.96404098e-14] [-1.15391202e-03 1.30517650e-02 -3.98422164e-14] [ 1.15391202e-03 -1.30517650e-02 -1.62678392e-14] [-3.78932996e-14 7.95768057e-15 2.05119327e-03] [ 2.24568628e-14 3.45885396e-14 -2.05119327e-03] [ 4.00017970e-03 -1.82906314e-03 1.11960721e-02] [-4.00017970e-03 1.82906314e-03 1.11960721e-02] [-3.34826513e-03 -2.29858996e-03 4.37717563e-03] [ 3.34826513e-03 2.29858995e-03 4.37717563e-03] [ 4.00017970e-03 -1.82906314e-03 -1.11960721e-02] [-4.00017970e-03 1.82906314e-03 -1.11960721e-02] [ 3.34826513e-03 2.29858996e-03 -4.37717563e-03] [-3.34826513e-03 -2.29858996e-03 -4.37717563e-03] [ 4.00017970e-03 -1.82906314e-03 1.11960721e-02] [-4.00017970e-03 1.82906314e-03 1.11960721e-02] [-3.34826513e-03 -2.29858995e-03 4.37717563e-03] [ 3.34826513e-03 2.29858995e-03 4.37717563e-03] [ 4.00017970e-03 -1.82906314e-03 -1.11960721e-02] [-4.00017970e-03 1.82906314e-03 -1.11960721e-02] [ 3.34826513e-03 2.29858995e-03 -4.37717563e-03] [-3.34826513e-03 -2.29858995e-03 -4.37717563e-03] [ 9.65338920e-14 -5.14865928e-14 1.56347157e-13] [-5.76734840e-14 -3.84660370e-14 5.25838487e-14] [ 6.32763714e-03 -9.68701226e-05 2.05595095e-03] [-6.32763714e-03 9.68701227e-05 2.05595095e-03] [ 6.32763714e-03 -9.68701230e-05 -2.05595095e-03] [-6.32763714e-03 9.68701229e-05 -2.05595095e-03] [ 6.43732454e-03 5.86441755e-03 6.38564806e-03] [ 6.43732454e-03 5.86441755e-03 -6.38564806e-03] [-6.43732454e-03 -5.86441755e-03 6.38564806e-03] [-6.43732454e-03 -5.86441755e-03 -6.38564806e-03] [ 1.17408051e-02 9.15954283e-03 3.81916720e-14] [ 7.35718547e-03 -9.21834098e-03 5.68364800e-14] [-7.35718547e-03 9.21834098e-03 6.86083135e-14] [-1.17408051e-02 -9.15954283e-03 -7.85656262e-15] [ 6.32763714e-03 -9.68701225e-05 2.05595095e-03] [-6.32763714e-03 9.68701223e-05 2.05595095e-03] [ 6.32763714e-03 -9.68701223e-05 -2.05595094e-03] [-6.32763714e-03 9.68701223e-05 -2.05595094e-03] [ 6.43732454e-03 5.86441755e-03 6.38564806e-03] [ 6.43732454e-03 5.86441755e-03 -6.38564806e-03] [-6.43732454e-03 -5.86441755e-03 6.38564806e-03] [-6.43732454e-03 -5.86441755e-03 -6.38564806e-03] [ 1.17408051e-02 9.15954283e-03 1.43533520e-13] [ 7.35718547e-03 -9.21834098e-03 4.76482376e-14] [-7.35718547e-03 9.21834098e-03 4.95115627e-14] [-1.17408051e-02 -9.15954283e-03 1.54260719e-13]] Final stress: [ 6.02023558e-04 -2.08092312e-04 5.95378737e-04 -9.62800858e-17 -5.47800488e-17 6.90583168e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.71675984e-03 2.78800666e-04 2.63053468e-14] [-2.71675984e-03 -2.78800666e-04 -5.30131494e-15] [ 1.15391202e-03 1.30517650e-02 2.60217195e-14] [-1.15391202e-03 -1.30517650e-02 -3.53883589e-14] [ 3.32550827e-14 -2.19832832e-14 2.05119327e-03] [ 4.28268532e-14 5.23470156e-14 -2.05119327e-03] [ 2.71675984e-03 2.78800666e-04 2.41446314e-14] [-2.71675984e-03 -2.78800666e-04 4.43947182e-14] [ 1.15391202e-03 1.30517650e-02 1.93712234e-14] [-1.15391202e-03 -1.30517650e-02 3.29754777e-15] [-4.08336559e-14 -3.78883995e-14 2.05119327e-03] [-3.22472084e-14 -1.56591659e-14 -2.05119327e-03] [ 3.34826513e-03 -2.29858995e-03 -4.37717563e-03] [-3.34826513e-03 2.29858995e-03 -4.37717563e-03] [-4.00017970e-03 -1.82906314e-03 -1.11960721e-02] [ 4.00017970e-03 1.82906314e-03 -1.11960721e-02] [ 3.34826513e-03 -2.29858995e-03 4.37717563e-03] [-3.34826513e-03 2.29858995e-03 4.37717563e-03] [ 4.00017970e-03 1.82906314e-03 1.11960721e-02] [-4.00017970e-03 -1.82906314e-03 1.11960721e-02] [ 3.34826513e-03 -2.29858995e-03 -4.37717563e-03] [-3.34826513e-03 2.29858996e-03 -4.37717563e-03] [-4.00017970e-03 -1.82906314e-03 -1.11960721e-02] [ 4.00017970e-03 1.82906314e-03 -1.11960721e-02] [ 3.34826513e-03 -2.29858996e-03 4.37717563e-03] [-3.34826513e-03 2.29858995e-03 4.37717563e-03] [ 4.00017970e-03 1.82906314e-03 1.11960721e-02] [-4.00017970e-03 -1.82906314e-03 1.11960721e-02] [ 9.10660436e-14 -2.29122277e-13 2.04725126e-13] [ 1.30537942e-16 -2.76600201e-14 2.35148688e-13] [-6.32763714e-03 -9.68701226e-05 2.05595094e-03] [ 6.32763714e-03 9.68701223e-05 2.05595094e-03] [-6.32763714e-03 -9.68701227e-05 -2.05595095e-03] [ 6.32763714e-03 9.68701228e-05 -2.05595095e-03] [ 6.43732454e-03 -5.86441755e-03 6.38564806e-03] [ 6.43732454e-03 -5.86441755e-03 -6.38564806e-03] [-6.43732454e-03 5.86441755e-03 6.38564806e-03] [-6.43732454e-03 5.86441755e-03 -6.38564806e-03] [-7.35718547e-03 -9.21834098e-03 -1.80078175e-13] [-1.17408051e-02 9.15954283e-03 -8.07860723e-14] [ 1.17408051e-02 -9.15954283e-03 -3.68125669e-14] [ 7.35718547e-03 9.21834098e-03 -6.38291503e-14] [-6.32763714e-03 -9.68701226e-05 2.05595094e-03] [ 6.32763714e-03 9.68701226e-05 2.05595095e-03] [-6.32763714e-03 -9.68701224e-05 -2.05595094e-03] [ 6.32763714e-03 9.68701221e-05 -2.05595094e-03] [ 6.43732454e-03 -5.86441755e-03 6.38564806e-03] [ 6.43732454e-03 -5.86441755e-03 -6.38564806e-03] [-6.43732454e-03 5.86441755e-03 6.38564806e-03] [-6.43732454e-03 5.86441755e-03 -6.38564806e-03] [-7.35718547e-03 -9.21834098e-03 2.40056630e-13] [-1.17408051e-02 9.15954283e-03 2.10723434e-13] [ 1.17408051e-02 -9.15954283e-03 1.51091298e-14] [ 7.35718547e-03 9.21834098e-03 4.59038189e-14]] Final stress: [ 6.02023558e-04 -2.08092312e-04 5.95378737e-04 -6.30800562e-17 -6.64000592e-17 -6.90583168e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.10699835e-03 -4.04740054e-02 1.01678214e-13] [-7.10699835e-03 4.04740054e-02 6.61415367e-14] [-4.38042310e-02 -4.61526102e-02 -7.09109420e-14] [ 4.38042310e-02 4.61526102e-02 2.20379270e-14] [-6.97762161e-14 -4.12040194e-14 -1.12581742e-03] [ 2.03670414e-13 -1.77635684e-13 1.12581742e-03] [ 7.10699835e-03 -4.04740054e-02 -3.60722023e-14] [-7.10699835e-03 4.04740054e-02 -2.73574861e-13] [-4.38042310e-02 -4.61526102e-02 -1.69035913e-14] [ 4.38042310e-02 4.61526102e-02 -1.50279259e-13] [-1.12817741e-13 9.68997370e-14 -1.12581742e-03] [-1.65700353e-13 1.07151283e-13 1.12581742e-03] [-2.33462957e-03 2.31761497e-02 3.43852602e-03] [ 2.33462957e-03 -2.31761497e-02 3.43852602e-03] [ 4.21751448e-02 5.09043649e-03 5.51149276e-02] [-4.21751448e-02 -5.09043649e-03 5.51149276e-02] [-2.33462957e-03 2.31761497e-02 -3.43852602e-03] [ 2.33462957e-03 -2.31761497e-02 -3.43852602e-03] [-4.21751448e-02 -5.09043649e-03 -5.51149276e-02] [ 4.21751448e-02 5.09043649e-03 -5.51149276e-02] [-2.33462957e-03 2.31761497e-02 3.43852602e-03] [ 2.33462957e-03 -2.31761497e-02 3.43852602e-03] [ 4.21751448e-02 5.09043649e-03 5.51149276e-02] [-4.21751448e-02 -5.09043649e-03 5.51149276e-02] [-2.33462957e-03 2.31761497e-02 -3.43852602e-03] [ 2.33462957e-03 -2.31761497e-02 -3.43852602e-03] [-4.21751448e-02 -5.09043649e-03 -5.51149276e-02] [ 4.21751448e-02 5.09043649e-03 -5.51149276e-02] [ 1.18210997e-13 -3.02785574e-13 9.92761429e-13] [-5.10903386e-13 -2.76977500e-13 -4.00889267e-13] [ 4.20149227e-02 -5.08960018e-03 2.09473933e-02] [-4.20149227e-02 5.08960018e-03 2.09473933e-02] [ 4.20149227e-02 -5.08960018e-03 -2.09473933e-02] [-4.20149227e-02 5.08960018e-03 -2.09473933e-02] [-7.54529814e-03 3.07708268e-02 -1.14036268e-02] [-7.54529814e-03 3.07708268e-02 1.14036268e-02] [ 7.54529814e-03 -3.07708268e-02 -1.14036268e-02] [ 7.54529814e-03 -3.07708268e-02 1.14036268e-02] [ 1.00440742e-01 7.13336138e-02 -1.09690035e-13] [ 5.80917282e-02 -9.53980715e-02 -4.71596720e-13] [-5.80917282e-02 9.53980715e-02 -4.00835615e-13] [-1.00440742e-01 -7.13336138e-02 -6.47473394e-13] [ 4.20149227e-02 -5.08960018e-03 2.09473933e-02] [-4.20149227e-02 5.08960018e-03 2.09473933e-02] [ 4.20149227e-02 -5.08960018e-03 -2.09473933e-02] [-4.20149227e-02 5.08960018e-03 -2.09473933e-02] [-7.54529814e-03 3.07708268e-02 -1.14036268e-02] [-7.54529814e-03 3.07708268e-02 1.14036268e-02] [ 7.54529814e-03 -3.07708268e-02 -1.14036268e-02] [ 7.54529814e-03 -3.07708268e-02 1.14036268e-02] [ 1.00440742e-01 7.13336138e-02 1.28317986e-12] [ 5.80917282e-02 -9.53980715e-02 5.86656312e-13] [-5.80917282e-02 9.53980715e-02 1.81798337e-12] [-1.00440742e-01 -7.13336138e-02 9.54355085e-13]] Final stress: [-1.18412580e-03 5.43175364e-04 -1.13069323e-03 2.09799470e-16 3.33015031e-17 4.44343598e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.36339125e-02 4.07428240e-02 9.75873028e-14] [-1.36339125e-02 -4.07428240e-02 1.41553436e-15] [ 4.53618485e-02 -4.55359424e-02 4.58993195e-14] [-4.53618485e-02 4.55359424e-02 2.27207142e-13] [ 1.73218211e-13 1.99671009e-13 4.07769931e-03] [ 2.48412402e-13 -2.49245069e-14 -4.07769931e-03] [ 1.36339125e-02 4.07428240e-02 8.86009975e-14] [-1.36339125e-02 -4.07428240e-02 9.07811815e-14] [ 4.53618485e-02 -4.55359424e-02 2.02105196e-14] [-4.53618485e-02 4.55359424e-02 -3.72948451e-13] [-1.35518766e-13 -5.76533037e-14 4.07769931e-03] [-1.46067186e-13 1.94291754e-13 -4.07769931e-03] [-4.58913284e-02 4.59509506e-03 -5.96995037e-02] [ 4.58913284e-02 -4.59509506e-03 -5.96995037e-02] [ 3.61426528e-03 2.17797696e-02 -1.96204802e-03] [-3.61426528e-03 -2.17797696e-02 -1.96204802e-03] [-4.58913284e-02 4.59509506e-03 5.96995037e-02] [ 4.58913284e-02 -4.59509506e-03 5.96995037e-02] [-3.61426527e-03 -2.17797696e-02 1.96204802e-03] [ 3.61426528e-03 2.17797696e-02 1.96204802e-03] [-4.58913284e-02 4.59509506e-03 -5.96995037e-02] [ 4.58913284e-02 -4.59509506e-03 -5.96995037e-02] [ 3.61426528e-03 2.17797696e-02 -1.96204802e-03] [-3.61426528e-03 -2.17797696e-02 -1.96204802e-03] [-4.58913284e-02 4.59509506e-03 5.96995037e-02] [ 4.58913284e-02 -4.59509506e-03 5.96995037e-02] [-3.61426528e-03 -2.17797696e-02 1.96204802e-03] [ 3.61426528e-03 2.17797696e-02 1.96204802e-03] [ 8.79629702e-13 -8.41909875e-13 1.14025456e-12] [-9.53377568e-13 -1.47379273e-13 -2.60174030e-13] [-4.98959791e-02 -2.17156186e-03 1.92134766e-02] [ 4.98959791e-02 2.17156186e-03 1.92134766e-02] [-4.98959791e-02 -2.17156186e-03 -1.92134766e-02] [ 4.98959791e-02 2.17156186e-03 -1.92134766e-02] [-4.75879257e-03 -3.72988644e-02 -9.28062312e-03] [-4.75879257e-03 -3.72988644e-02 9.28062312e-03] [ 4.75879256e-03 3.72988644e-02 -9.28062312e-03] [ 4.75879257e-03 3.72988644e-02 9.28062312e-03] [-6.67680354e-02 -1.01914857e-01 3.75366405e-13] [-1.05409674e-01 8.09867689e-02 7.65568164e-13] [ 1.05409674e-01 -8.09867689e-02 -7.16541410e-13] [ 6.67680354e-02 1.01914857e-01 -3.73198231e-13] [-4.98959791e-02 -2.17156186e-03 1.92134766e-02] [ 4.98959791e-02 2.17156186e-03 1.92134766e-02] [-4.98959791e-02 -2.17156186e-03 -1.92134766e-02] [ 4.98959791e-02 2.17156186e-03 -1.92134766e-02] [-4.75879256e-03 -3.72988644e-02 -9.28062312e-03] [-4.75879256e-03 -3.72988644e-02 9.28062312e-03] [ 4.75879256e-03 3.72988644e-02 -9.28062312e-03] [ 4.75879256e-03 3.72988644e-02 9.28062312e-03] [-6.67680354e-02 -1.01914857e-01 8.44289803e-13] [-1.05409674e-01 8.09867689e-02 4.33312349e-13] [ 1.05409674e-01 -8.09867689e-02 1.31317082e-12] [ 6.67680354e-02 1.01914857e-01 1.23990531e-12]] Final stress: [-1.25748942e-03 4.12286813e-04 -1.18001758e-03 5.99427056e-17 2.94718302e-16 -4.66562454e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.59286118e-02 1.37704084e-13 -3.54987307e-14] [-5.59286118e-02 -1.11410881e-13 1.09190434e-13] [-5.27702881e-14 5.59286118e-02 -2.03359465e-14] [ 1.29118938e-13 -5.59286118e-02 -3.77475828e-14] [ 1.35952447e-13 -6.66411371e-14 1.02074803e-01] [ 2.14828155e-14 2.48218113e-13 -1.02074803e-01] [ 5.59286118e-02 -8.68524003e-14 -1.19332849e-13] [-5.59286118e-02 1.68482416e-13 -3.93116023e-14] [ 1.10715690e-13 5.59286118e-02 -8.00751480e-14] [ 1.42282019e-14 -5.59286118e-02 -1.67318419e-14] [-1.39636566e-13 -3.70053188e-15 1.02074803e-01] [-2.15074920e-13 -6.86645652e-14 -1.02074803e-01] [ 1.48181842e-02 1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 -1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 -1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 1.48181842e-02 2.35695531e-03] [-1.48181842e-02 -1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 -1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 1.48181842e-02 -2.35695531e-03] [ 1.48181842e-02 1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 -1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 -1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 1.48181842e-02 2.35695531e-03] [-1.48181842e-02 -1.48181842e-02 2.35695531e-03] [ 1.48181842e-02 -1.48181842e-02 -2.35695531e-03] [-1.48181842e-02 1.48181842e-02 -2.35695531e-03] [-1.43385304e-13 -6.71407374e-14 2.04725126e-13] [ 4.30581352e-13 3.25862647e-13 3.14540463e-13] [ 1.82520665e-13 1.31060297e-03 2.50761769e-02] [ 3.97097286e-13 -1.31060297e-03 2.50761769e-02] [-1.79804088e-13 1.31060297e-03 -2.50761769e-02] [-1.12954784e-13 -1.31060297e-03 -2.50761769e-02] [ 1.31060297e-03 -1.10800258e-13 2.50761769e-02] [ 1.31060297e-03 1.59580682e-13 -2.50761769e-02] [-1.31060297e-03 1.61442040e-13 2.50761769e-02] [-1.31060297e-03 -2.00195763e-13 -2.50761769e-02] [ 3.77155613e-02 3.77155613e-02 -6.49924559e-13] [-3.77155613e-02 3.77155613e-02 -3.19362592e-15] [ 3.77155613e-02 -3.77155613e-02 -7.17811227e-14] [-3.77155613e-02 -3.77155613e-02 -5.64917020e-15] [-2.54193368e-14 1.31060297e-03 2.50761769e-02] [-1.08165213e-13 -1.31060297e-03 2.50761769e-02] [-2.26526263e-13 1.31060297e-03 -2.50761769e-02] [-6.03813874e-15 -1.31060297e-03 -2.50761769e-02] [ 1.31060297e-03 -4.07953839e-13 2.50761769e-02] [ 1.31060297e-03 -4.98639758e-13 -2.50761769e-02] [-1.31060297e-03 -5.10706061e-13 2.50761769e-02] [-1.31060297e-03 -2.28198536e-14 -2.50761769e-02] [ 3.77155613e-02 3.77155613e-02 7.88799629e-13] [-3.77155613e-02 3.77155613e-02 4.94725348e-13] [ 3.77155613e-02 -3.77155613e-02 4.11952556e-13] [-3.77155613e-02 -3.77155613e-02 4.46018656e-13]] Final stress: [ 1.50193862e-03 1.50193862e-03 -1.26334545e-03 -2.10498991e-16 -1.37570207e-16 -1.71548390e-16] Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.05119327e-03 -2.37379560e-14 4.67260779e-14] [-2.05119327e-03 2.00117700e-14 5.45119505e-14] [ 3.20008776e-14 2.71675984e-03 -2.78800667e-04] [ 7.85760346e-14 -2.71675984e-03 2.78800667e-04] [ 2.93593275e-14 -1.15391202e-03 1.30517650e-02] [ 1.16850973e-14 1.15391202e-03 -1.30517650e-02] [ 2.05119327e-03 8.71741915e-15 -1.74229578e-14] [-2.05119327e-03 -5.44356227e-14 2.49247390e-14] [-2.25076034e-14 2.71675984e-03 -2.78800667e-04] [-2.58890132e-14 -2.71675984e-03 2.78800667e-04] [-7.07632737e-14 -1.15391202e-03 1.30517650e-02] [-1.68758237e-14 1.15391202e-03 -1.30517650e-02] [ 1.11960721e-02 4.00017970e-03 -1.82906314e-03] [ 4.37717563e-03 -3.34826513e-03 -2.29858996e-03] [ 4.37717563e-03 3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 -4.00017970e-03 1.82906314e-03] [-4.37717563e-03 3.34826513e-03 2.29858995e-03] [-1.11960721e-02 -4.00017970e-03 1.82906314e-03] [-4.37717563e-03 -3.34826513e-03 -2.29858996e-03] [-1.11960721e-02 4.00017970e-03 -1.82906314e-03] [ 1.11960721e-02 4.00017970e-03 -1.82906314e-03] [ 4.37717563e-03 -3.34826513e-03 -2.29858996e-03] [ 4.37717563e-03 3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 -4.00017970e-03 1.82906314e-03] [-4.37717563e-03 3.34826513e-03 2.29858996e-03] [-1.11960721e-02 -4.00017970e-03 1.82906314e-03] [-4.37717563e-03 -3.34826513e-03 -2.29858996e-03] [-1.11960721e-02 4.00017970e-03 -1.82906314e-03] [ 2.92932345e-13 -1.79078974e-13 2.94098079e-13] [ 1.26417973e-15 -1.03582955e-13 -8.72168098e-14] [-6.43929354e-15 1.17408051e-02 9.15954283e-03] [-3.75931924e-14 7.35718547e-03 -9.21834098e-03] [ 8.97962260e-14 -7.35718547e-03 9.21834098e-03] [ 1.25108257e-14 -1.17408051e-02 -9.15954283e-03] [ 2.05595094e-03 6.32763714e-03 -9.68701228e-05] [ 2.05595094e-03 -6.32763714e-03 9.68701226e-05] [-2.05595094e-03 6.32763714e-03 -9.68701229e-05] [-2.05595094e-03 -6.32763714e-03 9.68701227e-05] [ 6.38564806e-03 6.43732454e-03 5.86441754e-03] [-6.38564806e-03 6.43732454e-03 5.86441754e-03] [ 6.38564806e-03 -6.43732454e-03 -5.86441754e-03] [-6.38564806e-03 -6.43732454e-03 -5.86441754e-03] [ 6.64815425e-14 1.17408051e-02 9.15954283e-03] [ 4.33568112e-14 7.35718547e-03 -9.21834098e-03] [ 6.52611645e-14 -7.35718547e-03 9.21834098e-03] [ 5.25278605e-14 -1.17408051e-02 -9.15954283e-03] [ 2.05595094e-03 6.32763714e-03 -9.68701227e-05] [ 2.05595094e-03 -6.32763714e-03 9.68701230e-05] [-2.05595094e-03 6.32763714e-03 -9.68701226e-05] [-2.05595094e-03 -6.32763714e-03 9.68701227e-05] [ 6.38564806e-03 6.43732454e-03 5.86441754e-03] [-6.38564806e-03 6.43732454e-03 5.86441754e-03] [ 6.38564806e-03 -6.43732454e-03 -5.86441754e-03] [-6.38564806e-03 -6.43732454e-03 -5.86441754e-03]] Final stress: [ 5.95378737e-04 6.02023558e-04 -2.08092312e-04 6.90583168e-04 -1.37780123e-16 -9.62800858e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.05119327e-03 -9.83197898e-15 -3.77649301e-15] [-2.05119327e-03 -8.40993941e-15 -2.54796184e-14] [ 1.50374505e-14 2.71675984e-03 2.78800667e-04] [ 2.70339306e-14 -2.71675984e-03 -2.78800667e-04] [-3.00610231e-14 1.15391202e-03 1.30517650e-02] [-3.55271368e-14 -1.15391202e-03 -1.30517650e-02] [ 2.05119327e-03 1.87293757e-14 3.46115763e-14] [-2.05119327e-03 1.26730224e-14 3.78667934e-14] [ 1.46150453e-16 2.71675984e-03 2.78800667e-04] [-4.82426599e-15 -2.71675984e-03 -2.78800667e-04] [-2.57246481e-14 1.15391202e-03 1.30517650e-02] [ 3.68195058e-16 -1.15391202e-03 -1.30517650e-02] [-4.37717563e-03 3.34826513e-03 -2.29858995e-03] [-1.11960721e-02 -4.00017970e-03 -1.82906314e-03] [-1.11960721e-02 4.00017970e-03 1.82906314e-03] [-4.37717563e-03 -3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 4.00017970e-03 1.82906314e-03] [ 4.37717563e-03 -3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 -4.00017970e-03 -1.82906314e-03] [ 4.37717563e-03 3.34826513e-03 -2.29858995e-03] [-4.37717563e-03 3.34826513e-03 -2.29858995e-03] [-1.11960721e-02 -4.00017970e-03 -1.82906314e-03] [-1.11960721e-02 4.00017970e-03 1.82906314e-03] [-4.37717563e-03 -3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 4.00017970e-03 1.82906314e-03] [ 4.37717563e-03 -3.34826513e-03 2.29858995e-03] [ 1.11960721e-02 -4.00017970e-03 -1.82906314e-03] [ 4.37717563e-03 3.34826513e-03 -2.29858995e-03] [ 1.31755717e-13 -1.33393296e-13 6.43651799e-14] [-9.61908504e-14 1.53569023e-13 8.51274326e-14] [-2.49800181e-14 -7.35718547e-03 -9.21834098e-03] [ 5.24198740e-14 -1.17408051e-02 9.15954283e-03] [ 2.07819872e-14 1.17408051e-02 -9.15954283e-03] [ 3.57353036e-14 7.35718547e-03 9.21834098e-03] [ 2.05595095e-03 -6.32763714e-03 -9.68701224e-05] [ 2.05595095e-03 6.32763714e-03 9.68701224e-05] [-2.05595095e-03 -6.32763714e-03 -9.68701226e-05] [-2.05595095e-03 6.32763714e-03 9.68701225e-05] [ 6.38564806e-03 6.43732454e-03 -5.86441755e-03] [-6.38564806e-03 6.43732454e-03 -5.86441755e-03] [ 6.38564806e-03 -6.43732454e-03 5.86441755e-03] [-6.38564806e-03 -6.43732454e-03 5.86441755e-03] [ 8.44289916e-15 -7.35718547e-03 -9.21834098e-03] [-2.91806510e-14 -1.17408051e-02 9.15954283e-03] [ 1.36175793e-15 1.17408051e-02 -9.15954283e-03] [ 1.67697453e-13 7.35718547e-03 9.21834098e-03] [ 2.05595095e-03 -6.32763714e-03 -9.68701222e-05] [ 2.05595095e-03 6.32763714e-03 9.68701224e-05] [-2.05595095e-03 -6.32763714e-03 -9.68701223e-05] [-2.05595095e-03 6.32763714e-03 9.68701225e-05] [ 6.38564806e-03 6.43732454e-03 -5.86441755e-03] [-6.38564806e-03 6.43732454e-03 -5.86441755e-03] [ 6.38564806e-03 -6.43732454e-03 5.86441755e-03] [-6.38564806e-03 -6.43732454e-03 5.86441755e-03]] Final stress: [ 5.95378737e-04 6.02023558e-04 -2.08092312e-04 -6.90583168e-04 6.30800562e-17 -4.48200399e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.12582997e-03 3.44169138e-14 1.25578801e-13] [ 1.12582997e-03 1.18460797e-13 6.13120665e-14] [ 9.28862022e-14 7.10697921e-03 -4.04739988e-02] [-5.41788836e-14 -7.10697921e-03 4.04739988e-02] [-4.77200744e-15 -4.38042191e-02 -4.61526056e-02] [ 6.45594689e-14 4.38042191e-02 4.61526056e-02] [-1.12582997e-03 3.14496693e-14 -1.35797791e-13] [ 1.12582997e-03 1.15853507e-14 -1.55935697e-13] [-7.69657775e-14 7.10697921e-03 -4.04739988e-02] [-8.74339663e-14 -7.10697921e-03 4.04739988e-02] [-1.19412726e-13 -4.38042191e-02 -4.61526056e-02] [-2.43637575e-14 4.38042191e-02 4.61526056e-02] [ 3.43852944e-03 -2.33462868e-03 2.31761488e-02] [ 5.51149044e-02 4.21751237e-02 5.09043866e-03] [ 5.51149044e-02 -4.21751237e-02 -5.09043866e-03] [ 3.43852944e-03 2.33462868e-03 -2.31761488e-02] [-5.51149044e-02 -4.21751237e-02 -5.09043866e-03] [-3.43852944e-03 2.33462868e-03 -2.31761488e-02] [-5.51149044e-02 4.21751237e-02 5.09043866e-03] [-3.43852944e-03 -2.33462868e-03 2.31761488e-02] [ 3.43852944e-03 -2.33462868e-03 2.31761488e-02] [ 5.51149044e-02 4.21751237e-02 5.09043866e-03] [ 5.51149044e-02 -4.21751237e-02 -5.09043866e-03] [ 3.43852944e-03 2.33462868e-03 -2.31761488e-02] [-5.51149044e-02 -4.21751237e-02 -5.09043866e-03] [-3.43852944e-03 2.33462868e-03 -2.31761488e-02] [-5.51149044e-02 4.21751237e-02 5.09043866e-03] [-3.43852944e-03 -2.33462868e-03 2.31761488e-02] [ 4.33209024e-13 -5.40123501e-14 1.26643140e-12] [-1.91113184e-13 -1.32965295e-13 -6.33470290e-13] [ 3.11639603e-13 1.00440707e-01 7.13335615e-02] [ 1.62161951e-13 5.80916838e-02 -9.53980340e-02] [ 1.97291836e-13 -5.80916838e-02 9.53980340e-02] [ 2.39185408e-13 -1.00440707e-01 -7.13335615e-02] [ 2.09473977e-02 4.20148952e-02 -5.08961427e-03] [ 2.09473977e-02 -4.20148952e-02 5.08961427e-03] [-2.09473977e-02 4.20148952e-02 -5.08961427e-03] [-2.09473977e-02 -4.20148952e-02 5.08961427e-03] [-1.14036346e-02 -7.54530965e-03 3.07708071e-02] [ 1.14036346e-02 -7.54530965e-03 3.07708071e-02] [-1.14036346e-02 7.54530965e-03 -3.07708071e-02] [ 1.14036346e-02 7.54530965e-03 -3.07708071e-02] [ 9.09858126e-14 1.00440707e-01 7.13335615e-02] [ 2.87435006e-13 5.80916838e-02 -9.53980340e-02] [ 3.13289759e-13 -5.80916838e-02 9.53980340e-02] [ 2.60865114e-13 -1.00440707e-01 -7.13335615e-02] [ 2.09473977e-02 4.20148952e-02 -5.08961427e-03] [ 2.09473977e-02 -4.20148952e-02 5.08961427e-03] [-2.09473977e-02 4.20148952e-02 -5.08961427e-03] [-2.09473977e-02 -4.20148952e-02 5.08961427e-03] [-1.14036346e-02 -7.54530965e-03 3.07708071e-02] [ 1.14036346e-02 -7.54530965e-03 3.07708071e-02] [-1.14036346e-02 7.54530965e-03 -3.07708071e-02] [ 1.14036346e-02 7.54530965e-03 -3.07708071e-02]] Final stress: [-1.13069296e-03 -1.18412543e-03 5.43176005e-04 4.44343534e-04 -1.18220336e-16 4.32919540e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.92543685e-03 -1.40651379e-14 1.23880073e-13] [-6.92543685e-03 -8.02413691e-14 2.23460139e-13] [ 1.17664559e-13 1.68916086e-02 4.04015068e-02] [ 2.17270646e-13 -1.68916086e-02 -4.04015068e-02] [ 1.33438941e-13 4.55103676e-02 -4.45978650e-02] [ 5.94801985e-14 -4.55103676e-02 4.45978650e-02] [ 6.92543685e-03 -6.53318545e-14 -5.63730627e-14] [-6.92543685e-03 9.37466250e-14 -1.47982582e-13] [-1.07613137e-13 1.68916086e-02 4.04015068e-02] [-1.93435112e-13 -1.68916086e-02 -4.04015068e-02] [-1.85618881e-13 4.55103676e-02 -4.45978650e-02] [-1.00541537e-13 -4.55103676e-02 4.45978650e-02] [-6.10932946e-02 -4.68484681e-02 4.35956527e-03] [-1.12298442e-03 4.49617349e-03 2.06321528e-02] [-1.12298442e-03 -4.49617349e-03 -2.06321528e-02] [-6.10932946e-02 4.68484681e-02 -4.35956527e-03] [ 1.12298442e-03 -4.49617349e-03 -2.06321528e-02] [ 6.10932946e-02 4.68484681e-02 -4.35956527e-03] [ 1.12298442e-03 4.49617349e-03 2.06321528e-02] [ 6.10932946e-02 -4.68484681e-02 4.35956527e-03] [-6.10932946e-02 -4.68484681e-02 4.35956527e-03] [-1.12298442e-03 4.49617349e-03 2.06321528e-02] [-1.12298442e-03 -4.49617349e-03 -2.06321528e-02] [-6.10932946e-02 4.68484681e-02 -4.35956527e-03] [ 1.12298442e-03 -4.49617349e-03 -2.06321528e-02] [ 6.10932946e-02 4.68484681e-02 -4.35956527e-03] [ 1.12298442e-03 4.49617349e-03 2.06321528e-02] [ 6.10932946e-02 -4.68484681e-02 4.35956527e-03] [ 5.51753088e-13 -1.30229161e-13 1.82295845e-12] [-1.01096518e-12 2.16416508e-13 1.39226133e-13] [-3.61155550e-13 -6.96162533e-02 -1.03324185e-01] [-4.32175129e-13 -1.05828404e-01 8.38672321e-02] [-3.31902908e-13 1.05828404e-01 -8.38672321e-02] [-3.24475879e-13 6.96162533e-02 1.03324185e-01] [ 1.80770564e-02 -5.34417102e-02 -1.00478445e-03] [ 1.80770564e-02 5.34417102e-02 1.00478445e-03] [-1.80770564e-02 -5.34417102e-02 -1.00478445e-03] [-1.80770564e-02 5.34417102e-02 1.00478445e-03] [-8.36309045e-03 -3.66263537e-03 -4.05357233e-02] [ 8.36309044e-03 -3.66263537e-03 -4.05357233e-02] [-8.36309045e-03 3.66263537e-03 4.05357233e-02] [ 8.36309044e-03 3.66263537e-03 4.05357233e-02] [ 6.36677776e-13 -6.96162533e-02 -1.03324185e-01] [ 9.99008602e-13 -1.05828404e-01 8.38672321e-02] [ 4.10217433e-13 1.05828404e-01 -8.38672321e-02] [ 6.09440449e-13 6.96162533e-02 1.03324185e-01] [ 1.80770564e-02 -5.34417102e-02 -1.00478445e-03] [ 1.80770564e-02 5.34417102e-02 1.00478445e-03] [-1.80770564e-02 -5.34417102e-02 -1.00478445e-03] [-1.80770564e-02 5.34417102e-02 1.00478445e-03] [-8.36309044e-03 -3.66263537e-03 -4.05357233e-02] [ 8.36309044e-03 -3.66263537e-03 -4.05357233e-02] [-8.36309044e-03 3.66263537e-03 4.05357233e-02] [ 8.36309044e-03 3.66263537e-03 4.05357233e-02]] Final stress: [-1.19298699e-03 -1.27996841e-03 3.70405642e-04 -4.77175133e-04 1.88153493e-16 1.29875862e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.71675984e-03 -2.69792869e-14 -2.78800665e-04] [-2.71675984e-03 -2.99482661e-14 2.78800664e-04] [-3.35881496e-14 2.05119327e-03 -3.21964677e-15] [ 3.55271368e-15 -2.05119327e-03 3.57214258e-14] [-1.15391202e-03 -7.07914630e-14 1.30517650e-02] [ 1.15391202e-03 -6.99718061e-14 -1.30517650e-02] [ 2.71675984e-03 3.81027675e-14 -2.78800665e-04] [-2.71675984e-03 5.33991254e-15 2.78800664e-04] [-4.49011488e-14 2.05119327e-03 4.57661871e-14] [-2.17326157e-14 -2.05119327e-03 1.10506858e-14] [-1.15391202e-03 -2.23034949e-14 1.30517650e-02] [ 1.15391202e-03 7.15674352e-15 -1.30517650e-02] [ 4.00017970e-03 1.11960722e-02 -1.82906314e-03] [-3.34826513e-03 4.37717564e-03 -2.29858995e-03] [-4.00017970e-03 1.11960722e-02 1.82906314e-03] [ 3.34826513e-03 4.37717564e-03 2.29858995e-03] [ 3.34826513e-03 -4.37717564e-03 2.29858995e-03] [-4.00017970e-03 -1.11960722e-02 1.82906314e-03] [ 4.00017970e-03 -1.11960722e-02 -1.82906314e-03] [-3.34826513e-03 -4.37717564e-03 -2.29858995e-03] [ 4.00017970e-03 1.11960722e-02 -1.82906314e-03] [-3.34826513e-03 4.37717564e-03 -2.29858995e-03] [-4.00017970e-03 1.11960722e-02 1.82906314e-03] [ 3.34826513e-03 4.37717564e-03 2.29858995e-03] [ 3.34826513e-03 -4.37717564e-03 2.29858995e-03] [-4.00017970e-03 -1.11960722e-02 1.82906314e-03] [ 4.00017970e-03 -1.11960722e-02 -1.82906314e-03] [-3.34826513e-03 -4.37717564e-03 -2.29858995e-03] [ 7.71882558e-14 -1.33837386e-13 1.34697808e-13] [-7.01023441e-14 2.57745951e-14 6.96210430e-15] [ 6.32763715e-03 2.05595095e-03 -9.68701222e-05] [ 6.32763715e-03 -2.05595095e-03 -9.68701222e-05] [-6.32763715e-03 2.05595095e-03 9.68701219e-05] [-6.32763715e-03 -2.05595095e-03 9.68701218e-05] [ 1.17408051e-02 -8.95949981e-14 9.15954284e-03] [-7.35718547e-03 5.26141630e-15 9.21834099e-03] [ 7.35718547e-03 -1.76456072e-14 -9.21834099e-03] [-1.17408051e-02 -3.17471743e-14 -9.15954284e-03] [ 6.43732455e-03 6.38564806e-03 5.86441755e-03] [-6.43732455e-03 6.38564806e-03 -5.86441755e-03] [ 6.43732455e-03 -6.38564806e-03 5.86441755e-03] [-6.43732455e-03 -6.38564806e-03 -5.86441755e-03] [ 6.32763715e-03 2.05595095e-03 -9.68701218e-05] [ 6.32763715e-03 -2.05595095e-03 -9.68701219e-05] [-6.32763715e-03 2.05595095e-03 9.68701222e-05] [-6.32763715e-03 -2.05595095e-03 9.68701223e-05] [ 1.17408051e-02 -4.29326507e-14 9.15954284e-03] [-7.35718547e-03 -1.88047711e-13 9.21834099e-03] [ 7.35718547e-03 -1.54187427e-13 -9.21834099e-03] [-1.17408051e-02 -1.68061745e-13 -9.15954284e-03] [ 6.43732455e-03 6.38564806e-03 5.86441755e-03] [-6.43732455e-03 6.38564806e-03 -5.86441755e-03] [ 6.43732455e-03 -6.38564806e-03 5.86441755e-03] [-6.43732455e-03 -6.38564806e-03 -5.86441755e-03]] Final stress: [ 6.02023558e-04 5.95378737e-04 -2.08092313e-04 -8.13400725e-17 6.90583168e-04 -3.48600311e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.71675984e-03 -1.73992765e-15 2.78800668e-04] [-2.71675984e-03 -6.30051566e-15 -2.78800667e-04] [-3.61342900e-15 2.05119327e-03 -8.97081888e-14] [-2.97539771e-14 -2.05119327e-03 -1.07858167e-13] [ 1.15391202e-03 -1.88026678e-14 1.30517650e-02] [-1.15391202e-03 2.26485497e-14 -1.30517650e-02] [ 2.71675984e-03 3.38791495e-15 2.78800668e-04] [-2.71675984e-03 1.29904767e-14 -2.78800668e-04] [-3.46550046e-14 2.05119327e-03 -1.09971956e-14] [-1.96860757e-14 -2.05119327e-03 -1.15723513e-14] [ 1.15391202e-03 -1.36826314e-14 1.30517650e-02] [-1.15391202e-03 -2.28270625e-14 -1.30517650e-02] [ 3.34826513e-03 -4.37717563e-03 -2.29858996e-03] [-4.00017970e-03 -1.11960721e-02 -1.82906314e-03] [-3.34826513e-03 -4.37717563e-03 2.29858996e-03] [ 4.00017970e-03 -1.11960721e-02 1.82906314e-03] [ 4.00017970e-03 1.11960721e-02 1.82906314e-03] [-3.34826513e-03 4.37717563e-03 2.29858996e-03] [ 3.34826513e-03 4.37717563e-03 -2.29858996e-03] [-4.00017970e-03 1.11960721e-02 -1.82906314e-03] [ 3.34826513e-03 -4.37717563e-03 -2.29858996e-03] [-4.00017970e-03 -1.11960721e-02 -1.82906314e-03] [-3.34826513e-03 -4.37717563e-03 2.29858996e-03] [ 4.00017970e-03 -1.11960721e-02 1.82906314e-03] [ 4.00017970e-03 1.11960721e-02 1.82906314e-03] [-3.34826513e-03 4.37717563e-03 2.29858996e-03] [ 3.34826513e-03 4.37717563e-03 -2.29858996e-03] [-4.00017970e-03 1.11960721e-02 -1.82906314e-03] [ 1.37501122e-13 -1.21208599e-13 7.77711229e-14] [ 1.32307360e-14 2.60831385e-14 9.48020755e-14] [-6.32763714e-03 2.05595094e-03 -9.68701225e-05] [-6.32763714e-03 -2.05595094e-03 -9.68701225e-05] [ 6.32763714e-03 2.05595094e-03 9.68701224e-05] [ 6.32763714e-03 -2.05595094e-03 9.68701224e-05] [-7.35718547e-03 -8.64863736e-14 -9.21834098e-03] [ 1.17408051e-02 -8.63597388e-14 -9.15954283e-03] [-1.17408051e-02 1.09200843e-14 9.15954283e-03] [ 7.35718547e-03 8.22692608e-14 9.21834098e-03] [ 6.43732454e-03 6.38564806e-03 -5.86441754e-03] [-6.43732454e-03 6.38564806e-03 5.86441754e-03] [ 6.43732454e-03 -6.38564806e-03 -5.86441754e-03] [-6.43732454e-03 -6.38564806e-03 5.86441754e-03] [-6.32763714e-03 2.05595094e-03 -9.68701226e-05] [-6.32763714e-03 -2.05595094e-03 -9.68701227e-05] [ 6.32763714e-03 2.05595094e-03 9.68701228e-05] [ 6.32763714e-03 -2.05595094e-03 9.68701228e-05] [-7.35718547e-03 -3.34705661e-14 -9.21834098e-03] [ 1.17408051e-02 -6.09364989e-14 -9.15954283e-03] [-1.17408051e-02 -4.73093786e-14 9.15954283e-03] [ 7.35718547e-03 -5.63915234e-14 9.21834098e-03] [ 6.43732454e-03 6.38564806e-03 -5.86441754e-03] [-6.43732454e-03 6.38564806e-03 5.86441754e-03] [ 6.43732454e-03 -6.38564806e-03 -5.86441754e-03] [-6.43732454e-03 -6.38564806e-03 5.86441754e-03]] Final stress: [ 6.02023558e-04 5.95378737e-04 -2.08092312e-04 2.32400207e-17 -6.90583168e-04 -3.81800340e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.01536600e-02 2.57862308e-14 -4.18961506e-02] [-1.01536600e-02 4.59354776e-14 4.18961506e-02] [ 4.22400830e-14 7.01119786e-04 2.18128467e-13] [ 1.49352752e-13 -7.01119786e-04 3.94684285e-14] [-4.58886943e-02 -1.60828382e-13 -4.65950350e-02] [ 4.58886943e-02 -1.22402088e-14 4.65950350e-02] [ 1.01536600e-02 -1.74585173e-13 -4.18961506e-02] [-1.01536600e-02 -9.53989492e-14 4.18961506e-02] [ 2.85257928e-14 7.01119786e-04 -9.80443673e-14] [-3.21023590e-14 -7.01119786e-04 -7.74411703e-14] [-4.58886943e-02 2.97455617e-14 -4.65950350e-02] [ 4.58886943e-02 -8.05145793e-14 4.65950350e-02] [-2.17299066e-03 2.77087757e-03 2.34220257e-02] [ 4.61511270e-02 5.90040692e-02 4.29656763e-03] [ 2.17299066e-03 2.77087757e-03 -2.34220257e-02] [-4.61511270e-02 5.90040692e-02 -4.29656763e-03] [-4.61511270e-02 -5.90040692e-02 -4.29656763e-03] [ 2.17299066e-03 -2.77087757e-03 -2.34220257e-02] [-2.17299066e-03 -2.77087757e-03 2.34220257e-02] [ 4.61511270e-02 -5.90040692e-02 4.29656763e-03] [-2.17299066e-03 2.77087757e-03 2.34220257e-02] [ 4.61511270e-02 5.90040692e-02 4.29656763e-03] [ 2.17299066e-03 2.77087757e-03 -2.34220257e-02] [-4.61511270e-02 5.90040692e-02 -4.29656763e-03] [-4.61511270e-02 -5.90040692e-02 -4.29656763e-03] [ 2.17299066e-03 -2.77087757e-03 -2.34220257e-02] [-2.17299066e-03 -2.77087757e-03 2.34220257e-02] [ 4.61511270e-02 -5.90040692e-02 4.29656763e-03] [ 5.83422199e-14 -1.16573418e-13 1.41905931e-12] [-4.14513909e-13 -8.10024407e-13 -8.19878292e-13] [ 4.63118692e-02 1.68722839e-02 7.49376066e-04] [ 4.63118692e-02 -1.68722839e-02 7.49376065e-04] [-4.63118692e-02 1.68722839e-02 -7.49376067e-04] [-4.63118692e-02 -1.68722839e-02 -7.49376067e-04] [ 1.03745788e-01 -6.89670543e-13 8.42995139e-02] [-6.95386277e-02 -6.84926074e-13 9.90834037e-02] [ 6.95386277e-02 -3.53505419e-13 -9.90834037e-02] [-1.03745788e-01 -4.85713900e-13 -8.42995139e-02] [-5.58646727e-03 -1.01649898e-02 3.37346227e-02] [ 5.58646727e-03 -1.01649898e-02 -3.37346227e-02] [-5.58646727e-03 1.01649898e-02 3.37346227e-02] [ 5.58646727e-03 1.01649898e-02 -3.37346227e-02] [ 4.63118692e-02 1.68722839e-02 7.49376067e-04] [ 4.63118692e-02 -1.68722839e-02 7.49376068e-04] [-4.63118692e-02 1.68722839e-02 -7.49376065e-04] [-4.63118692e-02 -1.68722839e-02 -7.49376066e-04] [ 1.03745788e-01 -1.07136493e-13 8.42995139e-02] [-6.95386277e-02 6.05900800e-13 9.90834037e-02] [ 6.95386277e-02 -1.11645502e-13 -9.90834037e-02] [-1.03745788e-01 2.07520199e-13 -8.42995139e-02] [-5.58646727e-03 -1.01649898e-02 3.37346227e-02] [ 5.58646727e-03 -1.01649898e-02 -3.37346227e-02] [-5.58646727e-03 1.01649898e-02 3.37346227e-02] [ 5.58646727e-03 1.01649898e-02 -3.37346227e-02]] Final stress: [-1.24265943e-03 -1.17019258e-03 4.17255832e-04 2.16459770e-17 4.53257821e-04 -2.23120071e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.52829797e-02 5.01118244e-14 4.00165958e-02] [-1.52829797e-02 3.02258218e-14 -4.00165958e-02] [ 2.34450914e-13 5.55103225e-03 1.31059226e-13] [ 2.40502063e-13 -5.55103225e-03 6.45317133e-14] [ 4.51407999e-02 3.65611946e-14 -4.54130693e-02] [-4.51407999e-02 -6.84452495e-14 4.54130693e-02] [ 1.52829797e-02 -9.28332931e-14 4.00165958e-02] [-1.52829797e-02 3.88027284e-14 -4.00165958e-02] [-2.51725290e-13 5.55103225e-03 -9.84616397e-14] [-2.37842732e-13 -5.55103225e-03 -1.92073138e-13] [ 4.51407999e-02 -4.81671694e-14 -4.54130693e-02] [-4.51407999e-02 1.10546284e-13 4.54130693e-02] [-4.61098777e-02 -6.06609403e-02 4.73288666e-03] [ 4.26595885e-03 -1.81892340e-03 2.11781840e-02] [ 4.61098777e-02 -6.06609403e-02 -4.73288666e-03] [-4.26595885e-03 -1.81892340e-03 -2.11781840e-02] [-4.26595885e-03 1.81892340e-03 -2.11781840e-02] [ 4.61098777e-02 6.06609403e-02 -4.73288666e-03] [-4.61098777e-02 6.06609403e-02 4.73288666e-03] [ 4.26595885e-03 1.81892340e-03 2.11781840e-02] [-4.61098777e-02 -6.06609403e-02 4.73288666e-03] [ 4.26595885e-03 -1.81892340e-03 2.11781840e-02] [ 4.61098777e-02 -6.06609403e-02 -4.73288666e-03] [-4.26595885e-03 -1.81892340e-03 -2.11781840e-02] [-4.26595885e-03 1.81892340e-03 -2.11781840e-02] [ 4.61098777e-02 6.06609403e-02 -4.73288666e-03] [-4.61098777e-02 6.06609403e-02 4.73288666e-03] [ 4.26595885e-03 1.81892340e-03 2.11781840e-02] [ 9.47103507e-13 1.77913240e-14 8.63031868e-13] [-3.75375078e-13 -2.24251170e-13 -4.04907624e-13] [-5.18366133e-02 2.12865717e-02 -4.27223469e-03] [-5.18366133e-02 -2.12865717e-02 -4.27223469e-03] [ 5.18366133e-02 2.12865717e-02 4.27223469e-03] [ 5.18366133e-02 -2.12865717e-02 4.27223469e-03] [-6.53508369e-02 -9.48130463e-13 -1.05005341e-01] [ 1.07999340e-01 -8.87796781e-13 -7.94706776e-02] [-1.07999340e-01 -1.09917631e-12 7.94706776e-02] [ 6.53508369e-02 -4.10328103e-14 1.05005341e-01] [-3.98642588e-03 -8.54365324e-03 -3.91330057e-02] [ 3.98642588e-03 -8.54365324e-03 3.91330057e-02] [-3.98642588e-03 8.54365324e-03 -3.91330057e-02] [ 3.98642588e-03 8.54365324e-03 3.91330057e-02] [-5.18366133e-02 2.12865717e-02 -4.27223469e-03] [-5.18366133e-02 -2.12865717e-02 -4.27223469e-03] [ 5.18366133e-02 2.12865717e-02 4.27223469e-03] [ 5.18366133e-02 -2.12865717e-02 4.27223469e-03] [-6.53508369e-02 -1.05101513e-13 -1.05005341e-01] [ 1.07999340e-01 1.78481795e-13 -7.94706776e-02] [-1.07999340e-01 1.04734797e-13 7.94706776e-02] [ 6.53508369e-02 -2.23731624e-14 1.05005341e-01] [-3.98642588e-03 -8.54365324e-03 -3.91330057e-02] [ 3.98642588e-03 -8.54365324e-03 3.91330057e-02] [-3.98642588e-03 8.54365324e-03 -3.91330057e-02] [ 3.98642588e-03 8.54365324e-03 3.91330057e-02]] Final stress: [-1.27386591e-03 -1.19245160e-03 3.98201037e-04 2.11464545e-16 -4.76311019e-04 -2.29780371e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.10605574e-03 -1.47372958e-03 1.48087272e-13] [-3.10605574e-03 1.47372958e-03 1.28730360e-13] [-1.47372958e-03 3.10605574e-03 7.26627959e-14] [ 1.47372958e-03 -3.10605574e-03 3.01980663e-14] [-3.93630441e-14 -2.63348371e-14 1.42383043e-02] [-3.63598041e-15 -1.62370117e-14 -1.42383043e-02] [ 3.10605574e-03 -1.47372958e-03 1.23369648e-14] [-3.10605574e-03 1.47372958e-03 1.07605558e-15] [-1.47372958e-03 3.10605574e-03 3.33824947e-14] [ 1.47372958e-03 -3.10605574e-03 3.81465353e-14] [ 1.88495053e-14 -7.58661746e-15 1.42383043e-02] [ 1.23542669e-14 6.09620539e-14 -1.42383043e-02] [ 4.59901782e-03 4.59901782e-03 6.65264607e-03] [-4.59901782e-03 -4.59901782e-03 6.65264607e-03] [-3.75808773e-03 3.75808772e-03 1.15350348e-02] [ 3.75808773e-03 -3.75808772e-03 1.15350348e-02] [ 4.59901782e-03 4.59901782e-03 -6.65264607e-03] [-4.59901782e-03 -4.59901782e-03 -6.65264607e-03] [ 3.75808773e-03 -3.75808773e-03 -1.15350348e-02] [-3.75808772e-03 3.75808773e-03 -1.15350348e-02] [ 4.59901782e-03 4.59901782e-03 6.65264607e-03] [-4.59901782e-03 -4.59901782e-03 6.65264607e-03] [-3.75808773e-03 3.75808773e-03 1.15350348e-02] [ 3.75808773e-03 -3.75808773e-03 1.15350348e-02] [ 4.59901782e-03 4.59901782e-03 -6.65264607e-03] [-4.59901782e-03 -4.59901782e-03 -6.65264607e-03] [ 3.75808773e-03 -3.75808772e-03 -1.15350348e-02] [-3.75808773e-03 3.75808773e-03 -1.15350348e-02] [ 1.05665476e-13 -1.33643097e-13 1.20514709e-13] [-2.05102862e-13 1.52181522e-14 2.02687846e-14] [ 6.89944258e-03 3.01746541e-03 -2.60129699e-04] [-6.89944258e-03 -3.01746541e-03 -2.60129699e-04] [ 6.89944258e-03 3.01746541e-03 2.60129699e-04] [-6.89944258e-03 -3.01746541e-03 2.60129699e-04] [ 3.01746541e-03 6.89944258e-03 -2.60129699e-04] [ 3.01746541e-03 6.89944258e-03 2.60129699e-04] [-3.01746541e-03 -6.89944258e-03 -2.60129699e-04] [-3.01746541e-03 -6.89944258e-03 2.60129699e-04] [ 1.77611739e-02 1.77611739e-02 5.19584376e-14] [ 2.93416244e-03 -2.93416244e-03 -1.89258331e-14] [-2.93416244e-03 2.93416244e-03 1.19964802e-13] [-1.77611739e-02 -1.77611739e-02 7.12069292e-14] [ 6.89944258e-03 3.01746541e-03 -2.60129699e-04] [-6.89944258e-03 -3.01746541e-03 -2.60129699e-04] [ 6.89944258e-03 3.01746541e-03 2.60129699e-04] [-6.89944258e-03 -3.01746541e-03 2.60129699e-04] [ 3.01746541e-03 6.89944258e-03 -2.60129699e-04] [ 3.01746541e-03 6.89944258e-03 2.60129699e-04] [-3.01746541e-03 -6.89944258e-03 -2.60129699e-04] [-3.01746541e-03 -6.89944258e-03 2.60129698e-04] [ 1.77611739e-02 1.77611739e-02 1.94748251e-13] [ 2.93416244e-03 -2.93416244e-03 -2.27819964e-14] [-2.93416244e-03 2.93416244e-03 2.27379422e-14] [-1.77611739e-02 -1.77611739e-02 -4.89374166e-14]] Final stress: [ 6.04236907e-04 6.04236907e-04 -2.69759453e-04 -4.48200401e-17 -3.65200327e-17 6.91201874e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.10605574e-03 1.47372958e-03 8.38023227e-14] [-3.10605574e-03 -1.47372958e-03 2.49800181e-16] [ 1.47372958e-03 3.10605574e-03 9.10955339e-14] [-1.47372958e-03 -3.10605574e-03 2.98094882e-14] [-2.76900898e-14 -4.98715652e-14 1.42383043e-02] [-4.37982983e-14 -5.21804822e-14 -1.42383043e-02] [ 3.10605574e-03 1.47372958e-03 -3.78785343e-14] [-3.10605574e-03 -1.47372958e-03 8.71085123e-15] [ 1.47372958e-03 3.10605574e-03 4.02560736e-15] [-1.47372958e-03 -3.10605574e-03 -1.59508294e-14] [-1.07312596e-13 -1.37660726e-15 1.42383043e-02] [-6.83038695e-14 -6.41049120e-14 -1.42383043e-02] [ 3.75808772e-03 3.75808772e-03 -1.15350348e-02] [-3.75808772e-03 -3.75808772e-03 -1.15350348e-02] [-4.59901782e-03 4.59901782e-03 -6.65264607e-03] [ 4.59901782e-03 -4.59901782e-03 -6.65264607e-03] [ 3.75808772e-03 3.75808772e-03 1.15350348e-02] [-3.75808772e-03 -3.75808772e-03 1.15350348e-02] [ 4.59901782e-03 -4.59901782e-03 6.65264607e-03] [-4.59901782e-03 4.59901782e-03 6.65264607e-03] [ 3.75808772e-03 3.75808772e-03 -1.15350348e-02] [-3.75808772e-03 -3.75808772e-03 -1.15350348e-02] [-4.59901782e-03 4.59901782e-03 -6.65264607e-03] [ 4.59901782e-03 -4.59901782e-03 -6.65264607e-03] [ 3.75808772e-03 3.75808772e-03 1.15350348e-02] [-3.75808772e-03 -3.75808772e-03 1.15350348e-02] [ 4.59901782e-03 -4.59901782e-03 6.65264607e-03] [-4.59901782e-03 4.59901782e-03 6.65264607e-03] [ 2.25292007e-13 -2.97262215e-14 1.19043664e-13] [ 6.61840374e-15 6.31505803e-14 3.42958352e-14] [-6.89944258e-03 3.01746541e-03 -2.60129699e-04] [ 6.89944258e-03 -3.01746541e-03 -2.60129699e-04] [-6.89944258e-03 3.01746541e-03 2.60129699e-04] [ 6.89944258e-03 -3.01746541e-03 2.60129698e-04] [ 3.01746541e-03 -6.89944258e-03 -2.60129699e-04] [ 3.01746541e-03 -6.89944258e-03 2.60129699e-04] [-3.01746541e-03 6.89944258e-03 -2.60129699e-04] [-3.01746541e-03 6.89944258e-03 2.60129699e-04] [-2.93416244e-03 -2.93416244e-03 -1.99729122e-13] [-1.77611739e-02 1.77611739e-02 -5.23626281e-14] [ 1.77611739e-02 -1.77611739e-02 -8.04183109e-14] [ 2.93416244e-03 2.93416244e-03 2.37778547e-14] [-6.89944258e-03 3.01746541e-03 -2.60129699e-04] [ 6.89944258e-03 -3.01746541e-03 -2.60129699e-04] [-6.89944258e-03 3.01746541e-03 2.60129699e-04] [ 6.89944258e-03 -3.01746541e-03 2.60129699e-04] [ 3.01746541e-03 -6.89944258e-03 -2.60129699e-04] [ 3.01746541e-03 -6.89944258e-03 2.60129699e-04] [-3.01746541e-03 6.89944258e-03 -2.60129698e-04] [-3.01746541e-03 6.89944258e-03 2.60129699e-04] [-2.93416244e-03 -2.93416244e-03 8.16247676e-14] [-1.77611739e-02 1.77611739e-02 7.38709969e-14] [ 1.77611739e-02 -1.77611739e-02 8.61432507e-16] [ 2.93416244e-03 2.93416244e-03 1.22605918e-14]] Final stress: [ 6.04236907e-04 6.04236907e-04 -2.69759453e-04 2.24100200e-16 -8.30000742e-18 -6.91201874e-04] Minimization converged after 30 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-9.18061418e-03 -1.14446469e-11 -1.60485679e-11] [ 9.18061441e-03 -1.41653356e-11 -3.93775845e-11] [ 1.13778440e-11 5.51306861e-02 -5.21975593e-03] [-3.59338392e-11 -5.51306864e-02 5.21975593e-03] [ 7.69311221e-12 -5.21975593e-03 5.51306863e-02] [-1.72942216e-11 5.21975592e-03 -5.51306862e-02] [-9.18061429e-03 -1.09106886e-11 -5.74579671e-12] [ 9.18061411e-03 -1.40702680e-11 8.48797531e-12] [ 9.33311978e-12 5.51306863e-02 -5.21975598e-03] [-2.78114511e-12 -5.51306862e-02 5.21975594e-03] [ 1.52283537e-11 -5.21975590e-03 5.51306862e-02] [ 6.52697341e-12 5.21975595e-03 -5.51306863e-02] [ 1.32894477e-02 1.20103808e-01 1.20103808e-01] [ 1.14758278e-02 -2.29970381e-02 2.29970380e-02] [ 1.14758278e-02 2.29970381e-02 -2.29970381e-02] [ 1.32894476e-02 -1.20103808e-01 -1.20103808e-01] [-1.14758279e-02 2.29970380e-02 -2.29970380e-02] [-1.32894477e-02 -1.20103808e-01 -1.20103808e-01] [-1.14758279e-02 -2.29970380e-02 2.29970380e-02] [-1.32894477e-02 1.20103808e-01 1.20103808e-01] [ 1.32894477e-02 1.20103808e-01 1.20103808e-01] [ 1.14758279e-02 -2.29970380e-02 2.29970381e-02] [ 1.14758280e-02 2.29970380e-02 -2.29970380e-02] [ 1.32894477e-02 -1.20103808e-01 -1.20103808e-01] [-1.14758279e-02 2.29970381e-02 -2.29970380e-02] [-1.32894476e-02 -1.20103808e-01 -1.20103808e-01] [-1.14758278e-02 -2.29970381e-02 2.29970382e-02] [-1.32894476e-02 1.20103808e-01 1.20103808e-01] [-1.79136872e-10 1.69231684e-10 -7.94462829e-11] [ 2.01283150e-10 -4.57903416e-11 -3.37211142e-11] [ 1.66710201e-10 9.28062441e-02 9.28062429e-02] [ 2.10651966e-10 -7.40742501e-03 7.40742401e-03] [ 1.76355541e-10 7.40742514e-03 -7.40742389e-03] [ 1.57286781e-10 -9.28062444e-02 -9.28062426e-02] [-1.10575305e-02 -1.05106460e-02 2.51868278e-02] [-1.10575303e-02 1.05106459e-02 -2.51868277e-02] [ 1.10575309e-02 -1.05106460e-02 2.51868283e-02] [ 1.10575306e-02 1.05106459e-02 -2.51868280e-02] [-1.10575288e-02 2.51868262e-02 -1.05106459e-02] [ 1.10575292e-02 2.51868266e-02 -1.05106459e-02] [-1.10575289e-02 -2.51868262e-02 1.05106461e-02] [ 1.10575291e-02 -2.51868266e-02 1.05106461e-02] [-2.36686136e-10 9.28062430e-02 9.28062441e-02] [-1.80317831e-10 -7.40742403e-03 7.40742520e-03] [-2.09474384e-10 7.40742376e-03 -7.40742538e-03] [-2.80536322e-10 -9.28062428e-02 -9.28062443e-02] [-1.10575290e-02 -1.05106459e-02 2.51868265e-02] [-1.10575293e-02 1.05106459e-02 -2.51868267e-02] [ 1.10575288e-02 -1.05106459e-02 2.51868262e-02] [ 1.10575290e-02 1.05106460e-02 -2.51868264e-02] [-1.10575309e-02 2.51868282e-02 -1.05106462e-02] [ 1.10575305e-02 2.51868278e-02 -1.05106461e-02] [-1.10575307e-02 -2.51868281e-02 1.05106459e-02] [ 1.10575304e-02 -2.51868276e-02 1.05106460e-02]] Final stress: [-2.48371915e-03 1.99221294e-05 1.99221293e-05 1.12555256e-03 1.48398861e-14 2.75226187e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[-2.63037198e-02 -9.04710421e-12 -8.20437641e-12] [ 2.63037199e-02 1.58276170e-12 3.10779180e-12] [ 1.13360653e-11 1.74876456e-02 5.94286528e-03] [-2.15097384e-12 -1.74876457e-02 -5.94286529e-03] [-7.77819649e-13 5.94286526e-03 1.74876457e-02] [-1.67166281e-12 -5.94286527e-03 -1.74876457e-02] [-2.63037198e-02 2.32889446e-12 -1.81888650e-12] [ 2.63037198e-02 -7.67836879e-12 6.25126309e-13] [-3.46981515e-12 1.74876456e-02 5.94286526e-03] [-6.82591960e-12 -1.74876457e-02 -5.94286526e-03] [-4.73290114e-12 5.94286529e-03 1.74876456e-02] [-4.32946604e-12 -5.94286530e-03 -1.74876457e-02] [-9.67741506e-03 9.95638376e-03 9.95638376e-03] [-1.56782827e-03 -4.58974439e-02 4.58974440e-02] [-1.56782830e-03 4.58974440e-02 -4.58974439e-02] [-9.67741500e-03 -9.95638381e-03 -9.95638378e-03] [ 1.56782830e-03 4.58974439e-02 -4.58974439e-02] [ 9.67741503e-03 -9.95638381e-03 -9.95638379e-03] [ 1.56782827e-03 -4.58974439e-02 4.58974439e-02] [ 9.67741505e-03 9.95638379e-03 9.95638378e-03] [-9.67741501e-03 9.95638379e-03 9.95638380e-03] [-1.56782829e-03 -4.58974439e-02 4.58974439e-02] [-1.56782826e-03 4.58974439e-02 -4.58974439e-02] [-9.67741502e-03 -9.95638380e-03 -9.95638381e-03] [ 1.56782830e-03 4.58974440e-02 -4.58974439e-02] [ 9.67741505e-03 -9.95638375e-03 -9.95638377e-03] [ 1.56782829e-03 -4.58974440e-02 4.58974440e-02] [ 9.67741506e-03 9.95638378e-03 9.95638380e-03] [-9.02385389e-11 3.09459958e-11 -2.87566082e-11] [ 3.85620138e-12 5.81073362e-11 9.36942058e-11] [-3.80628862e-12 3.49980122e-03 3.49980134e-03] [ 3.07722979e-11 -2.97554026e-02 2.97554025e-02] [ 1.45135085e-11 2.97554027e-02 -2.97554025e-02] [ 4.90037535e-11 -3.49980143e-03 -3.49980112e-03] [-1.04316543e-02 3.23024067e-03 2.91962999e-03] [-1.04316542e-02 -3.23024074e-03 -2.91962991e-03] [ 1.04316544e-02 3.23024067e-03 2.91963011e-03] [ 1.04316543e-02 -3.23024074e-03 -2.91963001e-03] [-1.04316541e-02 2.91962980e-03 3.23024067e-03] [ 1.04316542e-02 2.91962992e-03 3.23024067e-03] [-1.04316543e-02 -2.91962991e-03 -3.23024060e-03] [ 1.04316543e-02 -2.91963001e-03 -3.23024060e-03] [-5.72857018e-11 3.49980136e-03 3.49980120e-03] [-6.48550601e-11 -2.97554025e-02 2.97554027e-02] [-7.50896350e-11 2.97554025e-02 -2.97554026e-02] [-6.02613944e-11 -3.49980119e-03 -3.49980136e-03] [-1.04316542e-02 3.23024070e-03 2.91962990e-03] [-1.04316543e-02 -3.23024061e-03 -2.91962997e-03] [ 1.04316541e-02 3.23024071e-03 2.91962981e-03] [ 1.04316542e-02 -3.23024059e-03 -2.91962991e-03] [-1.04316544e-02 2.91963009e-03 3.23024060e-03] [ 1.04316544e-02 2.91963000e-03 3.23024062e-03] [-1.04316543e-02 -2.91962999e-03 -3.23024078e-03] [ 1.04316543e-02 -2.91962994e-03 -3.23024076e-03]] Final stress: [-1.00797626e-03 1.41904995e-04 1.41904995e-04 -1.25491863e-03 -1.72073517e-15 2.07834883e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.93467766e-03 4.93763767e-03 -1.48887824e-04] [-1.93467767e-03 -4.93763767e-03 1.48887823e-04] [ 4.93763767e-03 1.93467767e-03 -1.48887824e-04] [-4.93763767e-03 -1.93467767e-03 1.48887824e-04] [-2.93077778e-03 -2.93077779e-03 -1.58489249e-04] [ 2.93077778e-03 2.93077778e-03 1.58489219e-04] [ 1.93467768e-03 4.93763767e-03 -1.48887830e-04] [-1.93467766e-03 -4.93763767e-03 1.48887827e-04] [ 4.93763767e-03 1.93467766e-03 -1.48887827e-04] [-4.93763767e-03 -1.93467767e-03 1.48887825e-04] [-2.93077778e-03 -2.93077778e-03 -1.58489227e-04] [ 2.93077778e-03 2.93077778e-03 1.58489238e-04] [-1.80709940e-03 -1.80709940e-03 -3.65842516e-03] [ 4.90394261e-04 4.90394265e-04 5.32771480e-03] [ 9.18926873e-04 1.76202032e-03 -2.10116400e-03] [ 1.76202033e-03 9.18926865e-04 -2.10116400e-03] [-4.90394264e-04 -4.90394263e-04 -5.32771480e-03] [ 1.80709940e-03 1.80709941e-03 3.65842517e-03] [-9.18926859e-04 -1.76202033e-03 2.10116400e-03] [-1.76202033e-03 -9.18926871e-04 2.10116400e-03] [-1.80709941e-03 -1.80709941e-03 -3.65842517e-03] [ 4.90394265e-04 4.90394261e-04 5.32771480e-03] [ 9.18926866e-04 1.76202034e-03 -2.10116400e-03] [ 1.76202033e-03 9.18926864e-04 -2.10116400e-03] [-4.90394259e-04 -4.90394261e-04 -5.32771480e-03] [ 1.80709940e-03 1.80709940e-03 3.65842515e-03] [-9.18926873e-04 -1.76202032e-03 2.10116399e-03] [-1.76202033e-03 -9.18926868e-04 2.10116400e-03] [ 6.15629769e-12 -1.29604660e-12 2.54227195e-11] [-2.05824199e-11 5.67803147e-12 -8.25433122e-12] [ 1.36888140e-03 -4.71795058e-04 4.80048818e-03] [-5.71486387e-04 2.52253296e-04 2.88519693e-04] [ 5.71486355e-04 -2.52253311e-04 -2.88519702e-04] [-1.36888143e-03 4.71795085e-04 -4.80048820e-03] [-4.71795023e-04 1.36888142e-03 4.80048815e-03] [-2.52253281e-04 5.71486388e-04 -2.88519674e-04] [ 2.52253225e-04 -5.71486379e-04 2.88519627e-04] [ 4.71795026e-04 -1.36888141e-03 -4.80048814e-03] [-4.76235530e-03 -4.76235522e-03 -2.79130685e-03] [-3.57402184e-03 3.57402187e-03 5.14824294e-13] [ 3.57402183e-03 -3.57402189e-03 -1.14643382e-11] [ 4.76235528e-03 4.76235523e-03 2.79130682e-03] [ 1.36888142e-03 -4.71795030e-04 4.80048815e-03] [-5.71486374e-04 2.52253268e-04 2.88519661e-04] [ 5.71486393e-04 -2.52253241e-04 -2.88519637e-04] [-1.36888139e-03 4.71795005e-04 -4.80048813e-03] [-4.71795069e-04 1.36888141e-03 4.80048818e-03] [-2.52253302e-04 5.71486381e-04 -2.88519689e-04] [ 2.52253331e-04 -5.71486386e-04 2.88519724e-04] [ 4.71795064e-04 -1.36888141e-03 -4.80048818e-03] [-4.76235522e-03 -4.76235529e-03 -2.79130680e-03] [-3.57402188e-03 3.57402185e-03 1.50758837e-11] [ 3.57402190e-03 -3.57402183e-03 2.09596303e-11] [ 4.76235526e-03 4.76235525e-03 2.79130683e-03]] Final stress: [-7.37117263e-05 -7.37117263e-05 8.27076343e-05 7.08929244e-04 7.08929244e-04 3.86316308e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.97783155e-03 -5.03789384e-03 1.58269954e-04] [-1.97783158e-03 5.03789383e-03 -1.58269952e-04] [-5.03789383e-03 1.97783158e-03 -1.58269952e-04] [ 5.03789383e-03 -1.97783157e-03 1.58269949e-04] [ 2.99843746e-03 -2.99843746e-03 -1.53066838e-04] [-2.99843746e-03 2.99843747e-03 1.53066822e-04] [ 1.97783159e-03 -5.03789384e-03 1.58269950e-04] [-1.97783156e-03 5.03789383e-03 -1.58269953e-04] [-5.03789383e-03 1.97783157e-03 -1.58269952e-04] [ 5.03789383e-03 -1.97783156e-03 1.58269949e-04] [ 2.99843746e-03 -2.99843746e-03 -1.53066836e-04] [-2.99843747e-03 2.99843747e-03 1.53066833e-04] [ 1.81088042e-03 -9.47146259e-04 2.13166586e-03] [ 9.47146272e-04 -1.81088040e-03 2.13166585e-03] [ 4.94975494e-04 -4.94975498e-04 -5.45938049e-03] [-1.85682149e-03 1.85682149e-03 3.75113311e-03] [-9.47146258e-04 1.81088041e-03 -2.13166586e-03] [-1.81088041e-03 9.47146272e-04 -2.13166585e-03] [-4.94975492e-04 4.94975490e-04 5.45938050e-03] [ 1.85682150e-03 -1.85682150e-03 -3.75113312e-03] [ 1.81088040e-03 -9.47146267e-04 2.13166585e-03] [ 9.47146266e-04 -1.81088041e-03 2.13166586e-03] [ 4.94975489e-04 -4.94975488e-04 -5.45938050e-03] [-1.85682150e-03 1.85682150e-03 3.75113312e-03] [-9.47146267e-04 1.81088040e-03 -2.13166585e-03] [-1.81088041e-03 9.47146258e-04 -2.13166586e-03] [-4.94975503e-04 4.94975501e-04 5.45938049e-03] [ 1.85682149e-03 -1.85682149e-03 -3.75113311e-03] [ 2.56898669e-11 -3.31934480e-12 1.56404611e-11] [-2.42269954e-11 -4.28853186e-12 9.45867092e-12] [-1.38997403e-03 -5.28962685e-04 4.96380072e-03] [ 5.87082332e-04 3.11298787e-04 3.41058867e-04] [-5.87082379e-04 -3.11298816e-04 -3.41058877e-04] [ 1.38997398e-03 5.28962703e-04 -4.96380073e-03] [-3.11298585e-04 -5.87082365e-04 3.41058666e-04] [-5.28962473e-04 -1.38997402e-03 -4.96380051e-03] [ 5.28962408e-04 1.38997402e-03 4.96380044e-03] [ 3.11298556e-04 5.87082360e-04 -3.41058627e-04] [ 3.64046295e-03 3.64046327e-03 -9.71034364e-12] [ 4.84875625e-03 -4.84875604e-03 -2.85312532e-03] [-4.84875628e-03 4.84875600e-03 2.85312532e-03] [-3.64046302e-03 -3.64046319e-03 -3.77374694e-12] [-1.38997399e-03 -5.28962459e-04 4.96380049e-03] [ 5.87082384e-04 3.11298564e-04 3.41058645e-04] [-5.87082326e-04 -3.11298564e-04 -3.41058639e-04] [ 1.38997405e-03 5.28962431e-04 -4.96380047e-03] [-3.11298789e-04 -5.87082367e-04 3.41058854e-04] [-5.28962658e-04 -1.38997402e-03 -4.96380069e-03] [ 5.28962720e-04 1.38997400e-03 4.96380076e-03] [ 3.11298823e-04 5.87082355e-04 -3.41058900e-04] [ 3.64046325e-03 3.64046295e-03 1.97472558e-11] [ 4.84875605e-03 -4.84875623e-03 -2.85312531e-03] [-4.84875601e-03 4.84875629e-03 2.85312533e-03] [-3.64046321e-03 -3.64046300e-03 -1.00777026e-12]] Final stress: [-7.50696553e-05 -7.50696553e-05 8.42750303e-05 7.08962850e-04 -7.08962850e-04 -3.95015539e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.81210765e-03 -4.59800100e-03 -1.25936244e-04] [-1.81210767e-03 4.59800100e-03 1.25936245e-04] [-4.59800101e-03 1.81210765e-03 1.25936246e-04] [ 4.59800100e-03 -1.81210766e-03 -1.25936245e-04] [-2.72481528e-03 2.72481529e-03 -1.78897911e-04] [ 2.72481529e-03 -2.72481528e-03 1.78897892e-04] [ 1.81210767e-03 -4.59800100e-03 -1.25936248e-04] [-1.81210765e-03 4.59800100e-03 1.25936242e-04] [-4.59800100e-03 1.81210767e-03 1.25936242e-04] [ 4.59800100e-03 -1.81210765e-03 -1.25936243e-04] [-2.72481528e-03 2.72481529e-03 -1.78897899e-04] [ 2.72481529e-03 -2.72481529e-03 1.78897903e-04] [-8.39072362e-04 1.62474721e-03 1.94519848e-03] [-1.62474720e-03 8.39072369e-04 1.94519847e-03] [ 1.69840474e-03 -1.69840475e-03 3.39485901e-03] [-4.76747087e-04 4.76747080e-04 -4.95889962e-03] [ 1.62474720e-03 -8.39072364e-04 -1.94519847e-03] [ 8.39072370e-04 -1.62474719e-03 -1.94519847e-03] [-1.69840474e-03 1.69840474e-03 -3.39485901e-03] [ 4.76747079e-04 -4.76747087e-04 4.95889962e-03] [-8.39072368e-04 1.62474720e-03 1.94519846e-03] [-1.62474720e-03 8.39072365e-04 1.94519847e-03] [ 1.69840474e-03 -1.69840474e-03 3.39485900e-03] [-4.76747083e-04 4.76747080e-04 -4.95889963e-03] [ 1.62474720e-03 -8.39072363e-04 -1.94519847e-03] [ 8.39072361e-04 -1.62474720e-03 -1.94519848e-03] [-1.69840474e-03 1.69840474e-03 -3.39485901e-03] [ 4.76747085e-04 -4.76747089e-04 4.95889962e-03] [ 2.80681034e-12 6.79198364e-12 1.77215465e-11] [-1.29450504e-11 -1.21090520e-11 -2.23372552e-12] [-5.33401970e-04 -1.79488014e-04 2.13403247e-04] [ 1.28390955e-03 3.90878105e-04 4.42488833e-03] [-1.28390957e-03 -3.90878150e-04 -4.42488837e-03] [ 5.33401942e-04 1.79488007e-04 -2.13403233e-04] [-3.90878313e-04 -1.28390958e-03 4.42488853e-03] [-1.79488210e-04 -5.33401968e-04 -2.13403433e-04] [ 1.79488151e-04 5.33401950e-04 2.13403383e-04] [ 3.90878316e-04 1.28390955e-03 -4.42488853e-03] [ 3.30890005e-03 3.30889985e-03 -9.24682553e-12] [ 4.43691576e-03 -4.43691600e-03 2.60250165e-03] [-4.43691581e-03 4.43691596e-03 -2.60250167e-03] [-3.30890004e-03 -3.30889984e-03 -4.87776139e-12] [-5.33401943e-04 -1.79488194e-04 2.13403416e-04] [ 1.28390957e-03 3.90878341e-04 4.42488856e-03] [-1.28390954e-03 -3.90878293e-04 -4.42488851e-03] [ 5.33401975e-04 1.79488184e-04 -2.13403419e-04] [-3.90878124e-04 -1.28390955e-03 4.42488834e-03] [-1.79487982e-04 -5.33401937e-04 -2.13403211e-04] [ 1.79488017e-04 5.33401965e-04 2.13403246e-04] [ 3.90878130e-04 1.28390958e-03 -4.42488835e-03] [ 3.30889986e-03 3.30890003e-03 2.31585630e-11] [ 4.43691600e-03 -4.43691577e-03 2.60250168e-03] [-4.43691595e-03 4.43691582e-03 -2.60250165e-03] [-3.30889986e-03 -3.30890003e-03 7.11822181e-12]] Final stress: [-6.91012781e-05 -6.91012781e-05 7.73812978e-05 -7.08792593e-04 7.08792593e-04 -3.58359381e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.78455128e-03 4.53975288e-03 1.18870807e-04] [-1.78455128e-03 -4.53975288e-03 -1.18870804e-04] [ 4.53975288e-03 1.78455128e-03 1.18870802e-04] [-4.53975288e-03 -1.78455127e-03 -1.18870805e-04] [ 2.68294003e-03 2.68294003e-03 -1.80886544e-04] [-2.68294003e-03 -2.68294003e-03 1.80886541e-04] [ 1.78455128e-03 4.53975288e-03 1.18870805e-04] [-1.78455128e-03 -4.53975288e-03 -1.18870802e-04] [ 4.53975288e-03 1.78455128e-03 1.18870803e-04] [-4.53975288e-03 -1.78455127e-03 -1.18870807e-04] [ 2.68294003e-03 2.68294003e-03 -1.80886549e-04] [-2.68294003e-03 -2.68294003e-03 1.80886543e-04] [-4.76345742e-04 -4.76345742e-04 4.87185541e-03] [ 1.66193127e-03 1.66193127e-03 -3.33379881e-03] [-1.59336353e-03 -8.19552783e-04 -1.93209349e-03] [-8.19552784e-04 -1.59336352e-03 -1.93209349e-03] [-1.66193127e-03 -1.66193127e-03 3.33379881e-03] [ 4.76345743e-04 4.76345742e-04 -4.87185541e-03] [ 1.59336352e-03 8.19552789e-04 1.93209348e-03] [ 8.19552790e-04 1.59336353e-03 1.93209349e-03] [-4.76345742e-04 -4.76345738e-04 4.87185541e-03] [ 1.66193127e-03 1.66193127e-03 -3.33379881e-03] [-1.59336353e-03 -8.19552789e-04 -1.93209349e-03] [-8.19552786e-04 -1.59336353e-03 -1.93209348e-03] [-1.66193127e-03 -1.66193127e-03 3.33379881e-03] [ 4.76345743e-04 4.76345744e-04 -4.87185541e-03] [ 1.59336353e-03 8.19552787e-04 1.93209349e-03] [ 8.19552786e-04 1.59336353e-03 1.93209349e-03] [ 1.70588543e-12 -1.59074420e-11 8.38218384e-15] [ 2.39043160e-12 -1.08149041e-11 7.13957056e-12] [ 5.22748907e-04 -1.44779870e-04 1.86875339e-04] [-1.27383137e-03 3.60462623e-04 4.32725653e-03] [ 1.27383137e-03 -3.60462640e-04 -4.32725654e-03] [-5.22748915e-04 1.44779888e-04 -1.86875352e-04] [-1.44779780e-04 5.22748896e-04 1.86875246e-04] [-3.60462518e-04 1.27383137e-03 -4.32725642e-03] [ 3.60462508e-04 -1.27383137e-03 4.32725641e-03] [ 1.44779773e-04 -5.22748904e-04 -1.86875239e-04] [-4.38991421e-03 -4.38991411e-03 2.56316375e-03] [-3.27390112e-03 3.27390122e-03 1.03010014e-11] [ 3.27390111e-03 -3.27390123e-03 -7.45773929e-12] [ 4.38991423e-03 4.38991410e-03 -2.56316375e-03] [ 5.22748902e-04 -1.44779772e-04 1.86875241e-04] [-1.27383137e-03 3.60462515e-04 4.32725642e-03] [ 1.27383137e-03 -3.60462509e-04 -4.32725641e-03] [-5.22748898e-04 1.44779783e-04 -1.86875247e-04] [-1.44779887e-04 5.22748913e-04 1.86875354e-04] [-3.60462626e-04 1.27383136e-03 -4.32725653e-03] [ 3.60462642e-04 -1.27383137e-03 4.32725654e-03] [ 1.44779872e-04 -5.22748910e-04 -1.86875342e-04] [-4.38991410e-03 -4.38991422e-03 2.56316376e-03] [-3.27390122e-03 3.27390111e-03 -6.26443667e-12] [ 3.27390122e-03 -3.27390111e-03 8.58234165e-12] [ 4.38991411e-03 4.38991422e-03 -2.56316374e-03]] Final stress: [-6.83033831e-05 -6.83033831e-05 7.64266099e-05 -7.08769272e-04 -7.08769272e-04 3.53176838e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.94576315e-03 -1.53313278e-04 4.95626321e-03] [-1.94576316e-03 1.53313274e-04 -4.95626321e-03] [-2.94591759e-03 -1.60311558e-04 -2.94591759e-03] [ 2.94591759e-03 1.60311567e-04 2.94591759e-03] [ 4.95626321e-03 -1.53313272e-04 1.94576315e-03] [-4.95626321e-03 1.53313279e-04 -1.94576315e-03] [ 1.94576316e-03 -1.53313274e-04 4.95626321e-03] [-1.94576314e-03 1.53313272e-04 -4.95626321e-03] [-2.94591759e-03 -1.60311561e-04 -2.94591759e-03] [ 2.94591759e-03 1.60311563e-04 2.94591759e-03] [ 4.95626321e-03 -1.53313274e-04 1.94576316e-03] [-4.95626322e-03 1.53313273e-04 -1.94576315e-03] [-1.82448084e-03 -3.68437249e-03 -1.82448084e-03] [ 9.29721809e-04 -2.10489348e-03 1.77462212e-03] [ 4.85731919e-04 5.36523061e-03 4.85731927e-04] [ 1.77462212e-03 -2.10489348e-03 9.29721796e-04] [-9.29721800e-04 2.10489349e-03 -1.77462213e-03] [ 1.82448085e-03 3.68437251e-03 1.82448085e-03] [-4.85731918e-04 -5.36523062e-03 -4.85731912e-04] [-1.77462212e-03 2.10489349e-03 -9.29721806e-04] [-1.82448085e-03 -3.68437251e-03 -1.82448084e-03] [ 9.29721800e-04 -2.10489349e-03 1.77462212e-03] [ 4.85731919e-04 5.36523062e-03 4.85731919e-04] [ 1.77462213e-03 -2.10489348e-03 9.29721803e-04] [-9.29721798e-04 2.10489349e-03 -1.77462212e-03] [ 1.82448084e-03 3.68437250e-03 1.82448084e-03] [-4.85731922e-04 -5.36523062e-03 -4.85731924e-04] [-1.77462213e-03 2.10489349e-03 -9.29721801e-04] [ 1.25409405e-11 -4.41727210e-12 4.07907041e-12] [-2.05805958e-11 -7.95085077e-12 -5.60085260e-12] [ 1.36942397e-03 4.78957809e-03 -4.41930717e-04] [ 5.75837339e-04 -2.56363678e-04 -2.25570786e-04] [-5.75837374e-04 2.56363661e-04 2.25570787e-04] [-1.36942401e-03 -4.78957804e-03 4.41930676e-04] [-4.77369770e-03 -2.80774842e-03 -4.77369782e-03] [ 3.58654066e-03 -1.15930703e-12 -3.58654056e-03] [-3.58654071e-03 9.13912175e-12 3.58654050e-03] [ 4.77369768e-03 2.80774842e-03 4.77369784e-03] [-4.41930868e-04 4.78957824e-03 1.36942397e-03] [ 2.25570929e-04 2.56363812e-04 -5.75837366e-04] [-2.25570959e-04 -2.56363837e-04 5.75837349e-04] [ 4.41930842e-04 -4.78957820e-03 -1.36942399e-03] [ 1.36942401e-03 4.78957821e-03 -4.41930848e-04] [ 5.75837364e-04 -2.56363807e-04 -2.25570925e-04] [-5.75837331e-04 2.56363822e-04 2.25570943e-04] [-1.36942396e-03 -4.78957823e-03 4.41930861e-04] [-4.77369784e-03 -2.80774844e-03 -4.77369769e-03] [ 3.58654055e-03 -5.53796353e-12 -3.58654066e-03] [-3.58654049e-03 -7.35556277e-12 3.58654071e-03] [ 4.77369784e-03 2.80774842e-03 4.77369768e-03] [-4.41930675e-04 4.78957804e-03 1.36942401e-03] [ 2.25570800e-04 2.56363690e-04 -5.75837350e-04] [-2.25570782e-04 -2.56363660e-04 5.75837368e-04] [ 4.41930722e-04 -4.78957810e-03 -1.36942398e-03]] Final stress: [-7.40324146e-05 8.31550553e-05 -7.40324146e-05 7.08953352e-04 3.87975709e-05 7.08953352e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.86185021e-03 1.32956858e-04 -4.75738606e-03] [-1.86185022e-03 -1.32956850e-04 4.75738606e-03] [ 2.81404441e-03 -1.67318221e-04 -2.81404441e-03] [-2.81404441e-03 1.67318222e-04 2.81404442e-03] [-4.75738606e-03 -1.32956856e-04 1.86185021e-03] [ 4.75738606e-03 1.32956847e-04 -1.86185022e-03] [ 1.86185023e-03 1.32956857e-04 -4.75738606e-03] [-1.86185021e-03 -1.32956844e-04 4.75738606e-03] [ 2.81404442e-03 -1.67318234e-04 -2.81404441e-03] [-2.81404442e-03 1.67318220e-04 2.81404442e-03] [-4.75738606e-03 -1.32956859e-04 1.86185022e-03] [ 4.75738606e-03 1.32956849e-04 -1.86185021e-03] [ 1.67992726e-03 2.03326773e-03 -8.69341461e-04] [ 4.86063162e-04 -5.10428165e-03 -4.86063168e-04] [ 8.69341473e-04 2.03326772e-03 -1.67992725e-03] [-1.72902258e-03 3.50023408e-03 1.72902258e-03] [-4.86063168e-04 5.10428165e-03 4.86063165e-04] [-1.67992726e-03 -2.03326772e-03 8.69341471e-04] [-8.69341457e-04 -2.03326773e-03 1.67992725e-03] [ 1.72902259e-03 -3.50023408e-03 -1.72902258e-03] [ 1.67992725e-03 2.03326772e-03 -8.69341466e-04] [ 4.86063162e-04 -5.10428166e-03 -4.86063169e-04] [ 8.69341465e-04 2.03326773e-03 -1.67992726e-03] [-1.72902258e-03 3.50023408e-03 1.72902259e-03] [-4.86063167e-04 5.10428165e-03 4.86063161e-04] [-1.67992726e-03 -2.03326773e-03 8.69341468e-04] [-8.69341465e-04 -2.03326772e-03 1.67992725e-03] [ 1.72902258e-03 -3.50023408e-03 -1.72902258e-03] [ 1.08837661e-11 -1.31894495e-12 5.99353900e-12] [-1.86038689e-11 1.14721174e-11 -1.21297393e-11] [-1.32927819e-03 4.57609743e-03 -4.20766793e-04] [-5.46584424e-04 -2.43919331e-04 -1.99733623e-04] [ 5.46584392e-04 2.43919332e-04 1.99733624e-04] [ 1.32927814e-03 -4.57609741e-03 4.20766782e-04] [ 3.44387826e-03 -2.26951791e-12 3.44387831e-03] [-4.60060668e-03 2.68280329e-03 4.60060658e-03] [ 4.60060664e-03 -2.68280327e-03 -4.60060662e-03] [-3.44387826e-03 7.91217786e-12 -3.44387830e-03] [-1.99733622e-04 2.43919326e-04 -5.46584415e-04] [ 4.20766729e-04 4.57609736e-03 1.32927816e-03] [-4.20766750e-04 -4.57609739e-03 -1.32927817e-03] [ 1.99733563e-04 -2.43919273e-04 5.46584394e-04] [-1.32927815e-03 4.57609736e-03 -4.20766718e-04] [-5.46584383e-04 -2.43919289e-04 -1.99733587e-04] [ 5.46584412e-04 2.43919297e-04 1.99733579e-04] [ 1.32927819e-03 -4.57609739e-03 4.20766753e-04] [ 3.44387831e-03 2.40227450e-12 3.44387824e-03] [-4.60060659e-03 2.68280328e-03 4.60060668e-03] [ 4.60060664e-03 -2.68280330e-03 -4.60060662e-03] [-3.44387828e-03 -1.03841549e-11 -3.44387828e-03] [-1.99733622e-04 2.43919320e-04 -5.46584406e-04] [ 4.20766797e-04 4.57609744e-03 1.32927817e-03] [-4.20766776e-04 -4.57609741e-03 -1.32927816e-03] [ 1.99733639e-04 -2.43919359e-04 5.46584420e-04]] Final stress: [-7.12341444e-05 7.98028845e-05 -7.12341444e-05 7.08853355e-04 -3.71059294e-05 -7.08853355e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.77251735e-03 -1.16312845e-04 -4.50419981e-03] [-1.77251735e-03 1.16312848e-04 4.50419980e-03] [-2.66227654e-03 -1.82266101e-04 2.66227654e-03] [ 2.66227654e-03 1.82266099e-04 -2.66227653e-03] [-4.50419981e-03 1.16312846e-04 1.77251735e-03] [ 4.50419980e-03 -1.16312847e-04 -1.77251736e-03] [ 1.77251736e-03 -1.16312848e-04 -4.50419981e-03] [-1.77251735e-03 1.16312849e-04 4.50419980e-03] [-2.66227654e-03 -1.82266092e-04 2.66227654e-03] [ 2.66227653e-03 1.82266103e-04 -2.66227653e-03] [-4.50419980e-03 1.16312847e-04 1.77251736e-03] [ 4.50419981e-03 -1.16312848e-04 -1.77251735e-03] [-8.10745001e-04 1.91255588e-03 1.58001087e-03] [ 1.65258049e-03 3.30742312e-03 -1.65258050e-03] [-1.58001087e-03 1.91255588e-03 8.10745007e-04] [-4.76473822e-04 -4.83514828e-03 4.76473818e-04] [-1.65258050e-03 -3.30742312e-03 1.65258049e-03] [ 8.10745015e-04 -1.91255588e-03 -1.58001087e-03] [ 1.58001087e-03 -1.91255588e-03 -8.10745008e-04] [ 4.76473813e-04 4.83514827e-03 -4.76473815e-04] [-8.10745007e-04 1.91255587e-03 1.58001087e-03] [ 1.65258049e-03 3.30742312e-03 -1.65258049e-03] [-1.58001087e-03 1.91255588e-03 8.10745008e-04] [-4.76473812e-04 -4.83514828e-03 4.76473814e-04] [-1.65258050e-03 -3.30742311e-03 1.65258050e-03] [ 8.10745006e-04 -1.91255588e-03 -1.58001087e-03] [ 1.58001087e-03 -1.91255588e-03 -8.10745010e-04] [ 4.76473814e-04 4.83514827e-03 -4.76473814e-04] [-3.78450049e-12 4.30658287e-12 5.74496006e-12] [-3.75201476e-12 -1.44750523e-11 -6.19702409e-12] [-5.19428752e-04 1.98534860e-04 -1.57377016e-04] [-1.26484874e-03 -4.31278577e-03 -3.71792482e-04] [ 1.26484872e-03 4.31278575e-03 3.71792449e-04] [ 5.19428736e-04 -1.98534872e-04 1.57377019e-04] [ 3.24326218e-03 -7.74935671e-12 3.24326225e-03] [-4.35483199e-03 -2.54355639e-03 4.35483188e-03] [ 4.35483195e-03 2.54355638e-03 -4.35483191e-03] [-3.24326217e-03 -3.35092024e-12 -3.24326225e-03] [-3.71792411e-04 4.31278571e-03 -1.26484874e-03] [ 1.57376939e-04 1.98534778e-04 5.19428733e-04] [-1.57376956e-04 -1.98534804e-04 -5.19428750e-04] [ 3.71792373e-04 -4.31278567e-03 1.26484872e-03] [-5.19428739e-04 1.98534781e-04 -1.57376942e-04] [-1.26484871e-03 -4.31278567e-03 -3.71792385e-04] [ 1.26484873e-03 4.31278569e-03 3.71792389e-04] [ 5.19428761e-04 -1.98534809e-04 1.57376960e-04] [ 3.24326226e-03 3.62962175e-12 3.24326218e-03] [-4.35483187e-03 -2.54355636e-03 4.35483199e-03] [ 4.35483190e-03 2.54355637e-03 -4.35483194e-03] [-3.24326225e-03 2.46814982e-12 -3.24326219e-03] [-3.71792463e-04 4.31278576e-03 -1.26484871e-03] [ 1.57377045e-04 1.98534884e-04 5.19428758e-04] [-1.57377013e-04 -1.98534861e-04 -5.19428744e-04] [ 3.71792459e-04 -4.31278575e-03 1.26484873e-03]] Final stress: [-6.78001265e-05 7.58215170e-05 -6.78001266e-05 -7.08747649e-04 -3.50345564e-05 7.08747649e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[ 1.85629741e-03 1.31675443e-04 4.74317097e-03] [-1.85629742e-03 -1.31675448e-04 -4.74317097e-03] [ 2.80506502e-03 -1.67845171e-04 2.80506502e-03] [-2.80506501e-03 1.67845149e-04 -2.80506502e-03] [ 4.74317097e-03 1.31675444e-04 1.85629741e-03] [-4.74317097e-03 -1.31675445e-04 -1.85629741e-03] [ 1.85629741e-03 1.31675443e-04 4.74317097e-03] [-1.85629741e-03 -1.31675442e-04 -4.74317097e-03] [ 2.80506502e-03 -1.67845162e-04 2.80506502e-03] [-2.80506502e-03 1.67845158e-04 -2.80506502e-03] [ 4.74317097e-03 1.31675442e-04 1.85629742e-03] [-4.74317097e-03 -1.31675445e-04 -1.85629741e-03] [-4.86105530e-04 5.08711321e-03 -4.86105530e-04] [-1.67369896e-03 -2.02714558e-03 -8.65331466e-04] [ 1.72334305e-03 -3.48804706e-03 1.72334305e-03] [-8.65331474e-04 -2.02714558e-03 -1.67369896e-03] [ 1.67369895e-03 2.02714557e-03 8.65331466e-04] [ 4.86105538e-04 -5.08711320e-03 4.86105538e-04] [-1.72334306e-03 3.48804705e-03 -1.72334305e-03] [ 8.65331468e-04 2.02714558e-03 1.67369896e-03] [-4.86105538e-04 5.08711320e-03 -4.86105535e-04] [-1.67369896e-03 -2.02714558e-03 -8.65331469e-04] [ 1.72334305e-03 -3.48804705e-03 1.72334306e-03] [-8.65331461e-04 -2.02714557e-03 -1.67369896e-03] [ 1.67369896e-03 2.02714557e-03 8.65331470e-04] [ 4.86105528e-04 -5.08711321e-03 4.86105532e-04] [-1.72334305e-03 3.48804705e-03 -1.72334305e-03] [ 8.65331471e-04 2.02714557e-03 1.67369896e-03] [ 2.99779646e-12 1.61253788e-11 8.45629122e-13] [ 3.09161551e-12 -3.44592086e-13 -1.12248969e-11] [ 5.44780062e-04 2.45036275e-04 -2.00403963e-04] [ 1.32613763e-03 -4.56431521e-03 -4.21446193e-04] [-1.32613764e-03 4.56431522e-03 4.21446195e-04] [-5.44780081e-04 -2.45036278e-04 2.00403971e-04] [-4.58761607e-03 2.67428229e-03 -4.58761619e-03] [ 3.43291624e-03 1.81042160e-12 -3.43291613e-03] [-3.43291626e-03 5.04113418e-12 3.43291611e-03] [ 4.58761608e-03 -2.67428228e-03 4.58761619e-03] [-2.00404094e-04 2.45036405e-04 5.44780062e-04] [ 4.21446297e-04 4.56431532e-03 -1.32613763e-03] [-4.21446335e-04 -4.56431535e-03 1.32613763e-03] [ 2.00404079e-04 -2.45036386e-04 -5.44780064e-04] [ 5.44780078e-04 2.45036395e-04 -2.00404086e-04] [ 1.32613764e-03 -4.56431532e-03 -4.21446305e-04] [-1.32613761e-03 4.56431534e-03 4.21446320e-04] [-5.44780058e-04 -2.45036401e-04 2.00404098e-04] [-4.58761618e-03 2.67428230e-03 -4.58761609e-03] [ 3.43291613e-03 7.77305585e-12 -3.43291624e-03] [-3.43291611e-03 6.80004057e-12 3.43291626e-03] [ 4.58761621e-03 -2.67428228e-03 4.58761606e-03] [-2.00403961e-04 2.45036272e-04 5.44780079e-04] [ 4.21446195e-04 4.56431522e-03 -1.32613763e-03] [-4.21446191e-04 -4.56431521e-03 1.32613763e-03] [ 2.00403974e-04 -2.45036287e-04 -5.44780067e-04]] Final stress: [-7.10337816e-05 7.95626453e-05 -7.10337816e-05 -7.08845643e-04 3.69878883e-05 -7.08845643e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 2.65116482e-04 4.91343077e-14 -1.53534115e-05] [-2.65116481e-04 3.55548924e-14 1.53534113e-05] [ 1.27464445e-13 -5.83316118e-04 -6.58947723e-14] [ 1.63202785e-13 5.83316118e-04 -3.99680289e-15] [-1.53534116e-05 -5.48033841e-14 2.65116482e-04] [ 1.53534113e-05 3.97459843e-14 -2.65116481e-04] [ 2.65116482e-04 -1.57577076e-13 -1.53534115e-05] [-2.65116482e-04 -1.92796733e-13 1.53534114e-05] [ 8.01910621e-14 -5.83316118e-04 1.55904515e-13] [ 9.51417764e-14 5.83316118e-04 1.75518335e-13] [-1.53534117e-05 5.90735643e-14 2.65116481e-04] [ 1.53534113e-05 8.25999501e-14 -2.65116481e-04] [ 4.10974917e-04 -2.75603933e-04 4.10974917e-04] [-4.51306505e-04 5.64733755e-05 4.51306505e-04] [-4.10974917e-04 -2.75603932e-04 -4.10974917e-04] [ 4.51306505e-04 5.64733758e-05 -4.51306505e-04] [ 4.51306505e-04 -5.64733758e-05 -4.51306505e-04] [-4.10974917e-04 2.75603933e-04 -4.10974917e-04] [ 4.10974917e-04 2.75603933e-04 4.10974917e-04] [-4.51306505e-04 -5.64733755e-05 4.51306505e-04] [ 4.10974917e-04 -2.75603933e-04 4.10974917e-04] [-4.51306505e-04 5.64733755e-05 4.51306505e-04] [-4.10974917e-04 -2.75603933e-04 -4.10974917e-04] [ 4.51306505e-04 5.64733755e-05 -4.51306505e-04] [ 4.51306505e-04 -5.64733757e-05 -4.51306505e-04] [-4.10974917e-04 2.75603933e-04 -4.10974917e-04] [ 4.10974917e-04 2.75603932e-04 4.10974918e-04] [-4.51306505e-04 -5.64733759e-05 4.51306505e-04] [-9.22317778e-13 3.71452868e-13 -6.17284002e-13] [ 9.56214274e-14 -2.79394222e-13 -1.76301553e-13] [-8.59354554e-05 -1.92378347e-04 -8.62499586e-05] [-8.59354550e-05 1.92378348e-04 -8.62499587e-05] [ 8.59354561e-05 -1.92378346e-04 8.62499595e-05] [ 8.59354564e-05 1.92378346e-04 8.62499596e-05] [ 2.31902030e-04 1.99840144e-15 2.31902020e-04] [ 1.42708703e-04 -9.34755745e-14 -1.42708691e-04] [-1.42708701e-04 4.58817012e-14 1.42708693e-04] [-2.31902030e-04 -4.04431696e-13 -2.31902021e-04] [-8.62499675e-05 -1.92378338e-04 -8.59354553e-05] [ 8.62499683e-05 -1.92378337e-04 8.59354557e-05] [-8.62499675e-05 1.92378338e-04 -8.59354547e-05] [ 8.62499695e-05 1.92378336e-04 8.59354560e-05] [-8.59354566e-05 -1.92378336e-04 -8.62499694e-05] [-8.59354564e-05 1.92378337e-04 -8.62499683e-05] [ 8.59354543e-05 -1.92378338e-04 8.62499682e-05] [ 8.59354550e-05 1.92378337e-04 8.62499679e-05] [ 2.31902021e-04 3.68313810e-13 2.31902030e-04] [ 1.42708691e-04 2.74093899e-13 -1.42708702e-04] [-1.42708694e-04 -1.49403927e-13 1.42708700e-04] [-2.31902021e-04 -3.33448547e-14 -2.31902030e-04] [-8.62499597e-05 -1.92378346e-04 -8.59354560e-05] [ 8.62499580e-05 -1.92378348e-04 8.59354552e-05] [-8.62499596e-05 1.92378347e-04 -8.59354561e-05] [ 8.62499584e-05 1.92378347e-04 8.59354552e-05]] Final stress: [-3.58486113e-06 -2.50430027e-05 -3.58486113e-06 -1.44641507e-16 1.41269602e-03 -1.33003685e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 2.56788602e-04 4.14377734e-14 -1.48257801e-05] [-2.56788601e-04 -1.25288668e-13 1.48257802e-05] [ 1.29450270e-13 -5.84709773e-04 -7.51222001e-15] [ 1.63258296e-13 5.84709773e-04 -2.22044605e-15] [-1.48257800e-05 -7.57206797e-15 2.56788601e-04] [ 1.48257802e-05 1.33254519e-13 -2.56788601e-04] [ 2.56788601e-04 -6.02044456e-14 -1.48257802e-05] [-2.56788602e-04 5.76188403e-15 1.48257803e-05] [-2.04380783e-13 -5.84709773e-04 1.65277610e-13] [-1.27063290e-13 5.84709774e-04 -2.07409959e-14] [-1.48257804e-05 -6.89474179e-14 2.56788601e-04] [ 1.48257804e-05 -7.02997837e-14 -2.56788602e-04] [ 4.21585926e-04 -5.31551877e-05 4.21585926e-04] [-4.39966637e-04 2.68787729e-04 4.39966638e-04] [-4.21585927e-04 -5.31551870e-05 -4.21585927e-04] [ 4.39966637e-04 2.68787730e-04 -4.39966638e-04] [ 4.39966638e-04 -2.68787730e-04 -4.39966638e-04] [-4.21585927e-04 5.31551867e-05 -4.21585927e-04] [ 4.21585926e-04 5.31551877e-05 4.21585926e-04] [-4.39966638e-04 -2.68787729e-04 4.39966638e-04] [ 4.21585927e-04 -5.31551868e-05 4.21585927e-04] [-4.39966637e-04 2.68787729e-04 4.39966637e-04] [-4.21585927e-04 -5.31551879e-05 -4.21585927e-04] [ 4.39966637e-04 2.68787729e-04 -4.39966638e-04] [ 4.39966637e-04 -2.68787729e-04 -4.39966638e-04] [-4.21585927e-04 5.31551875e-05 -4.21585927e-04] [ 4.21585927e-04 5.31551870e-05 4.21585927e-04] [-4.39966637e-04 -2.68787730e-04 4.39966637e-04] [-9.09772258e-13 1.42247325e-13 -4.44033699e-13] [ 1.33971870e-12 6.38054395e-14 8.80341946e-13] [ 6.11382251e-05 -2.28036161e-04 -4.91794761e-05] [ 6.11382249e-05 2.28036161e-04 -4.91794764e-05] [-6.11382224e-05 -2.28036161e-04 4.91794766e-05] [-6.11382227e-05 2.28036162e-04 4.91794761e-05] [ 1.85521567e-04 -1.28563826e-13 1.85521565e-04] [ 1.95082005e-04 -6.10570622e-14 -1.95082003e-04] [-1.95082002e-04 2.39270409e-13 1.95082006e-04] [-1.85521564e-04 -1.20899818e-13 -1.85521568e-04] [-4.91794735e-05 -2.28036164e-04 6.11382246e-05] [ 4.91794752e-05 -2.28036162e-04 -6.11382239e-05] [-4.91794738e-05 2.28036164e-04 6.11382244e-05] [ 4.91794756e-05 2.28036162e-04 -6.11382242e-05] [ 6.11382232e-05 -2.28036163e-04 -4.91794748e-05] [ 6.11382229e-05 2.28036163e-04 -4.91794750e-05] [-6.11382253e-05 -2.28036163e-04 4.91794748e-05] [-6.11382251e-05 2.28036163e-04 4.91794750e-05] [ 1.85521566e-04 1.85948817e-13 1.85521566e-04] [ 1.95082004e-04 1.75284700e-13 -1.95082003e-04] [-1.95082006e-04 3.50094953e-13 1.95082001e-04] [-1.85521568e-04 1.06327707e-13 -1.85521564e-04] [-4.91794768e-05 -2.28036160e-04 6.11382241e-05] [ 4.91794746e-05 -2.28036163e-04 -6.11382237e-05] [-4.91794773e-05 2.28036160e-04 6.11382235e-05] [ 4.91794746e-05 2.28036163e-04 -6.11382240e-05]] Final stress: [-3.68349489e-06 -2.49341375e-05 -3.68349489e-06 2.80970284e-16 -1.41281669e-03 -2.24443718e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.51768397e-04 -3.01992840e-03 -3.01992840e-03] [ 1.51768392e-04 3.01992841e-03 3.01992840e-03] [-1.61156730e-04 1.99067765e-03 5.07448433e-03] [ 1.61156733e-04 -1.99067764e-03 -5.07448433e-03] [-1.61156733e-04 5.07448433e-03 1.99067764e-03] [ 1.61156731e-04 -5.07448433e-03 -1.99067765e-03] [-1.51768394e-04 -3.01992840e-03 -3.01992840e-03] [ 1.51768402e-04 3.01992840e-03 3.01992840e-03] [-1.61156732e-04 1.99067764e-03 5.07448433e-03] [ 1.61156732e-04 -1.99067765e-03 -5.07448433e-03] [-1.61156734e-04 5.07448433e-03 1.99067764e-03] [ 1.61156733e-04 -5.07448433e-03 -1.99067765e-03] [-3.77939603e-03 -1.86748905e-03 -1.86748905e-03] [-2.15160878e-03 9.56911356e-04 1.82516606e-03] [-2.15160878e-03 1.82516607e-03 9.56911362e-04] [ 5.49888462e-03 4.93952447e-04 4.93952448e-04] [ 2.15160878e-03 -9.56911360e-04 -1.82516607e-03] [ 3.77939602e-03 1.86748905e-03 1.86748905e-03] [ 2.15160878e-03 -1.82516607e-03 -9.56911357e-04] [-5.49888460e-03 -4.93952455e-04 -4.93952450e-04] [-3.77939602e-03 -1.86748905e-03 -1.86748905e-03] [-2.15160878e-03 9.56911358e-04 1.82516606e-03] [-2.15160879e-03 1.82516607e-03 9.56911355e-04] [ 5.49888461e-03 4.93952453e-04 4.93952451e-04] [ 2.15160878e-03 -9.56911361e-04 -1.82516607e-03] [ 3.77939602e-03 1.86748905e-03 1.86748905e-03] [ 2.15160878e-03 -1.82516606e-03 -9.56911366e-04] [-5.49888461e-03 -4.93952444e-04 -4.93952443e-04] [ 5.36423683e-12 -6.16173779e-12 2.95483082e-12] [-9.77551460e-12 2.97686849e-12 7.23686594e-12] [-2.87406673e-03 -4.88389745e-03 -4.88389757e-03] [-1.50219906e-11 -3.67241900e-03 3.67241894e-03] [-4.33701686e-12 3.67241900e-03 -3.67241893e-03] [ 2.87406672e-03 4.88389752e-03 4.88389752e-03] [ 4.97233474e-03 1.39861575e-03 -5.11174311e-04] [ 3.22796414e-04 -5.90724727e-04 2.92452065e-04] [-3.22796438e-04 5.90724757e-04 -2.92452094e-04] [-4.97233471e-03 -1.39861572e-03 5.11174284e-04] [ 4.97233478e-03 -5.11174353e-04 1.39861573e-03] [-3.22796498e-04 -2.92452156e-04 5.90724737e-04] [ 3.22796504e-04 2.92452150e-04 -5.90724749e-04] [-4.97233482e-03 5.11174381e-04 -1.39861575e-03] [-2.87406671e-03 -4.88389757e-03 -4.88389745e-03] [ 4.95611841e-12 -3.67241893e-03 3.67241901e-03] [-8.69096028e-13 3.67241893e-03 -3.67241901e-03] [ 2.87406672e-03 4.88389754e-03 4.88389750e-03] [ 4.97233479e-03 1.39861572e-03 -5.11174358e-04] [ 3.22796521e-04 -5.90724758e-04 2.92452170e-04] [-3.22796479e-04 5.90724733e-04 -2.92452133e-04] [-4.97233480e-03 -1.39861575e-03 5.11174360e-04] [ 4.97233475e-03 -5.11174321e-04 1.39861574e-03] [-3.22796448e-04 -2.92452102e-04 5.90724765e-04] [ 3.22796413e-04 2.92452070e-04 -5.90724736e-04] [-4.97233471e-03 5.11174281e-04 -1.39861572e-03]] Final stress: [ 8.49174928e-05 -7.56011317e-05 -7.56011318e-05 3.97930673e-05 7.08986572e-04 7.08986572e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.68870401e-04 2.83296675e-03 -2.83296675e-03] [ 1.68870389e-04 -2.83296675e-03 2.83296675e-03] [ 1.38372809e-04 1.87630692e-03 -4.77698330e-03] [-1.38372804e-04 -1.87630693e-03 4.77698330e-03] [-1.38372807e-04 -4.77698330e-03 1.87630691e-03] [ 1.38372803e-04 4.77698330e-03 -1.87630693e-03] [-1.68870395e-04 2.83296675e-03 -2.83296675e-03] [ 1.68870402e-04 -2.83296675e-03 2.83296675e-03] [ 1.38372807e-04 1.87630691e-03 -4.77698330e-03] [-1.38372804e-04 -1.87630693e-03 4.77698330e-03] [-1.38372805e-04 -4.77698330e-03 1.87630694e-03] [ 1.38372805e-04 4.77698330e-03 -1.87630692e-03] [ 2.02938122e-03 1.69661635e-03 -8.81891455e-04] [-5.15298866e-03 4.82424141e-04 -4.82424141e-04] [ 3.53367254e-03 -1.75496632e-03 1.75496632e-03] [ 2.02938123e-03 8.81891460e-04 -1.69661636e-03] [ 5.15298865e-03 -4.82424145e-04 4.82424146e-04] [-2.02938122e-03 -1.69661635e-03 8.81891460e-04] [-3.53367253e-03 1.75496631e-03 -1.75496631e-03] [-2.02938122e-03 -8.81891462e-04 1.69661635e-03] [ 2.02938122e-03 1.69661635e-03 -8.81891461e-04] [-5.15298866e-03 4.82424146e-04 -4.82424144e-04] [ 3.53367253e-03 -1.75496631e-03 1.75496631e-03] [ 2.02938123e-03 8.81891460e-04 -1.69661635e-03] [ 5.15298866e-03 -4.82424144e-04 4.82424142e-04] [-2.02938123e-03 -1.69661635e-03 8.81891463e-04] [-3.53367254e-03 1.75496632e-03 -1.75496633e-03] [-2.02938122e-03 -8.81891458e-04 1.69661636e-03] [ 1.24865396e-11 -9.73526815e-13 1.10043918e-11] [-1.12074590e-11 1.76205437e-11 -1.12944018e-11] [-1.28349553e-11 3.45036835e-03 3.45036833e-03] [-2.70225943e-03 4.60897853e-03 -4.60897849e-03] [ 2.70225941e-03 -4.60897854e-03 4.60897847e-03] [-1.66582720e-12 -3.45036828e-03 -3.45036839e-03] [ 4.60425125e-03 -1.32851482e-03 -4.18141420e-04] [ 2.37695283e-04 5.53122865e-04 2.02645425e-04] [-2.37695333e-04 -5.53122835e-04 -2.02645480e-04] [-4.60425123e-03 1.32851485e-03 4.18141403e-04] [ 2.37695239e-04 -2.02645390e-04 -5.53122860e-04] [-4.60425117e-03 -4.18141353e-04 -1.32851485e-03] [ 4.60425118e-03 4.18141355e-04 1.32851481e-03] [-2.37695260e-04 2.02645404e-04 5.53122806e-04] [ 1.04466756e-11 3.45036834e-03 3.45036834e-03] [-2.70225942e-03 4.60897849e-03 -4.60897854e-03] [ 2.70225943e-03 -4.60897846e-03 4.60897855e-03] [ 4.45261363e-12 -3.45036839e-03 -3.45036828e-03] [ 4.60425116e-03 -1.32851484e-03 -4.18141344e-04] [ 2.37695278e-04 5.53122825e-04 2.02645418e-04] [-2.37695223e-04 -5.53122842e-04 -2.02645377e-04] [-4.60425120e-03 1.32851483e-03 4.18141373e-04] [ 2.37695315e-04 -2.02645462e-04 -5.53122822e-04] [-4.60425125e-03 -4.18141419e-04 -1.32851482e-03] [ 4.60425124e-03 4.18141411e-04 1.32851486e-03] [-2.37695277e-04 2.02645422e-04 5.53122855e-04]] Final stress: [ 8.02289726e-05 -7.15460870e-05 -7.15460869e-05 -3.73032180e-05 7.08870737e-04 -7.08870737e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.65800947e-04 -2.82329865e-03 2.82329866e-03] [ 1.65800928e-04 2.82329866e-03 -2.82329865e-03] [-1.34169821e-04 1.86846837e-03 -4.76667144e-03] [ 1.34169826e-04 -1.86846836e-03 4.76667144e-03] [ 1.34169821e-04 -4.76667144e-03 1.86846836e-03] [-1.34169822e-04 4.76667144e-03 -1.86846836e-03] [-1.65800928e-04 -2.82329865e-03 2.82329866e-03] [ 1.65800948e-04 2.82329866e-03 -2.82329865e-03] [-1.34169819e-04 1.86846836e-03 -4.76667144e-03] [ 1.34169824e-04 -1.86846837e-03 4.76667144e-03] [ 1.34169820e-04 -4.76667144e-03 1.86846837e-03] [-1.34169826e-04 4.76667144e-03 -1.86846836e-03] [ 2.02741413e-03 -8.72137517e-04 1.68771278e-03] [ 3.51399614e-03 1.74071081e-03 -1.74071081e-03] [-5.12433604e-03 -4.89257366e-04 4.89257365e-04] [ 2.02741414e-03 -1.68771278e-03 8.72137521e-04] [-3.51399614e-03 -1.74071082e-03 1.74071081e-03] [-2.02741413e-03 8.72137528e-04 -1.68771277e-03] [ 5.12433605e-03 4.89257357e-04 -4.89257354e-04] [-2.02741413e-03 1.68771278e-03 -8.72137523e-04] [ 2.02741413e-03 -8.72137525e-04 1.68771278e-03] [ 3.51399614e-03 1.74071081e-03 -1.74071082e-03] [-5.12433605e-03 -4.89257352e-04 4.89257354e-04] [ 2.02741414e-03 -1.68771278e-03 8.72137524e-04] [-3.51399614e-03 -1.74071082e-03 1.74071082e-03] [-2.02741414e-03 8.72137519e-04 -1.68771278e-03] [ 5.12433604e-03 4.89257364e-04 -4.89257365e-04] [-2.02741413e-03 1.68771279e-03 -8.72137519e-04] [ 1.66512082e-11 -6.66369737e-12 4.05234180e-12] [-1.54915386e-11 4.28962821e-12 -6.41240781e-12] [-2.13046247e-11 3.44225874e-03 3.44225875e-03] [ 2.69002637e-03 4.60542083e-03 -4.60542083e-03] [-2.69002642e-03 -4.60542086e-03 4.60542081e-03] [-2.42782097e-11 -3.44225870e-03 -3.44225878e-03] [ 2.89694009e-04 -5.50035348e-04 -2.49285956e-04] [ 4.64619418e-03 1.33036818e-03 4.68054078e-04] [-4.64619426e-03 -1.33036817e-03 -4.68054172e-04] [-2.89694008e-04 5.50035357e-04 2.49285970e-04] [ 4.64619412e-03 -4.68054035e-04 -1.33036820e-03] [-2.89693980e-04 -2.49285940e-04 -5.50035374e-04] [ 2.89693962e-04 2.49285909e-04 5.50035339e-04] [-4.64619419e-03 4.68054099e-04 1.33036817e-03] [ 1.70973153e-11 3.44225875e-03 3.44225875e-03] [ 2.69002641e-03 4.60542082e-03 -4.60542085e-03] [-2.69002637e-03 -4.60542080e-03 4.60542086e-03] [ 3.61629277e-11 -3.44225880e-03 -3.44225868e-03] [ 2.89693975e-04 -5.50035365e-04 -2.49285943e-04] [ 4.64619421e-03 1.33036818e-03 4.68054111e-04] [-4.64619412e-03 -1.33036819e-03 -4.68054040e-04] [-2.89693972e-04 5.50035347e-04 2.49285919e-04] [ 4.64619423e-03 -4.68054142e-04 -1.33036815e-03] [-2.89693994e-04 -2.49285939e-04 -5.50035343e-04] [ 2.89694029e-04 2.49285988e-04 5.50035370e-04] [-4.64619418e-03 4.68054082e-04 1.33036818e-03]] Final stress: [ 7.98631959e-05 -7.13168213e-05 -7.13168212e-05 -3.72120666e-05 -7.08842511e-04 7.08842511e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 18 steps. Final forces: [[-1.55861615e-04 2.99912209e-03 2.99912208e-03] [ 1.55861599e-04 -2.99912208e-03 -2.99912208e-03] [ 1.61724381e-04 1.97395349e-03 5.04046876e-03] [-1.61724379e-04 -1.97395349e-03 -5.04046877e-03] [ 1.61724383e-04 5.04046876e-03 1.97395349e-03] [-1.61724379e-04 -5.04046877e-03 -1.97395350e-03] [-1.55861592e-04 2.99912208e-03 2.99912208e-03] [ 1.55861617e-04 -2.99912208e-03 -2.99912208e-03] [ 1.61724383e-04 1.97395349e-03 5.04046877e-03] [-1.61724385e-04 -1.97395349e-03 -5.04046877e-03] [ 1.61724384e-04 5.04046876e-03 1.97395349e-03] [-1.61724384e-04 -5.04046877e-03 -1.97395349e-03] [ 5.43842869e-03 -4.92009217e-04 -4.92009220e-04] [-2.14877251e-03 -1.79910443e-03 -9.38790228e-04] [-2.14877250e-03 -9.38790238e-04 -1.79910443e-03] [-3.73682937e-03 1.84431781e-03 1.84431781e-03] [ 2.14877251e-03 1.79910443e-03 9.38790225e-04] [-5.43842869e-03 4.92009233e-04 4.92009232e-04] [ 2.14877251e-03 9.38790216e-04 1.79910444e-03] [ 3.73682938e-03 -1.84431782e-03 -1.84431782e-03] [ 5.43842868e-03 -4.92009230e-04 -4.92009228e-04] [-2.14877251e-03 -1.79910444e-03 -9.38790223e-04] [-2.14877251e-03 -9.38790220e-04 -1.79910445e-03] [-3.73682938e-03 1.84431782e-03 1.84431782e-03] [ 2.14877250e-03 1.79910444e-03 9.38790231e-04] [-5.43842869e-03 4.92009221e-04 4.92009224e-04] [ 2.14877250e-03 9.38790231e-04 1.79910443e-03] [ 3.73682938e-03 -1.84431781e-03 -1.84431781e-03] [ 1.46572199e-11 2.04392059e-13 2.64699374e-12] [-2.19344768e-11 6.54086619e-12 -8.09510573e-12] [ 2.88401898e-03 -4.85758175e-03 -4.85758169e-03] [-2.53098723e-11 -3.65596093e-03 3.65596099e-03] [-3.23244868e-11 3.65596092e-03 -3.65596099e-03] [-2.88401903e-03 4.85758178e-03 4.85758167e-03] [ 2.74589405e-04 5.99178525e-04 -2.45296292e-04] [ 4.88320701e-03 -1.37563725e-03 4.60274915e-04] [-4.88320706e-03 1.37563727e-03 -4.60274989e-04] [-2.74589437e-04 -5.99178500e-04 2.45296329e-04] [ 2.74589300e-04 -2.45296192e-04 5.99178499e-04] [-4.88320695e-03 -4.60274883e-04 1.37563724e-03] [ 4.88320696e-03 4.60274860e-04 -1.37563725e-03] [-2.74589379e-04 2.45296269e-04 -5.99178508e-04] [ 2.88401902e-03 -4.85758170e-03 -4.85758174e-03] [ 2.58966594e-11 -3.65596101e-03 3.65596091e-03] [ 2.17248827e-11 3.65596099e-03 -3.65596094e-03] [-2.88401898e-03 4.85758165e-03 4.85758179e-03] [ 2.74589359e-04 5.99178494e-04 -2.45296257e-04] [ 4.88320698e-03 -1.37563726e-03 4.60274903e-04] [-4.88320693e-03 1.37563724e-03 -4.60274847e-04] [-2.74589327e-04 -5.99178518e-04 2.45296212e-04] [ 2.74589438e-04 -2.45296338e-04 5.99178519e-04] [-4.88320701e-03 -4.60274932e-04 1.37563727e-03] [ 4.88320705e-03 4.60274974e-04 -1.37563725e-03] [-2.74589393e-04 2.45296277e-04 -5.99178509e-04]] Final stress: [ 8.44487232e-05 -7.51851494e-05 -7.51851494e-05 3.94738080e-05 -7.08927945e-04 -7.08927945e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 11 steps. Final forces: [[ 1.18875493e-03 -3.03107276e-04 -7.29210962e-13] [-1.18875493e-03 3.03107277e-04 5.35571587e-13] [-3.03107276e-04 1.18875492e-03 4.74199673e-13] [ 3.03107277e-04 -1.18875493e-03 8.57897087e-13] [ 8.04421200e-13 2.42306175e-13 -3.18411572e-03] [-4.24743574e-13 -2.90850677e-13 3.18411573e-03] [ 1.18875493e-03 -3.03107276e-04 -6.66883559e-13] [-1.18875493e-03 3.03107278e-04 -1.37570527e-12] [-3.03107276e-04 1.18875493e-03 -4.51606689e-13] [ 3.03107278e-04 -1.18875493e-03 -1.05331082e-12] [-2.73702502e-13 -3.81463726e-13 -3.18411572e-03] [ 3.53298120e-13 -1.54640705e-12 3.18411572e-03] [ 3.49595812e-03 3.49595812e-03 -1.21555701e-04] [-3.49595812e-03 -3.49595812e-03 -1.21555701e-04] [-1.05711796e-03 1.05711796e-03 1.01811565e-03] [ 1.05711796e-03 -1.05711796e-03 1.01811565e-03] [ 3.49595812e-03 3.49595812e-03 1.21555703e-04] [-3.49595812e-03 -3.49595812e-03 1.21555700e-04] [ 1.05711796e-03 -1.05711796e-03 -1.01811565e-03] [-1.05711796e-03 1.05711796e-03 -1.01811565e-03] [ 3.49595812e-03 3.49595812e-03 -1.21555700e-04] [-3.49595812e-03 -3.49595812e-03 -1.21555702e-04] [-1.05711796e-03 1.05711796e-03 1.01811565e-03] [ 1.05711796e-03 -1.05711796e-03 1.01811565e-03] [ 3.49595812e-03 3.49595812e-03 1.21555701e-04] [-3.49595812e-03 -3.49595812e-03 1.21555703e-04] [ 1.05711797e-03 -1.05711797e-03 -1.01811565e-03] [-1.05711796e-03 1.05711796e-03 -1.01811565e-03] [-2.91217050e-12 5.53926349e-12 -4.75247619e-12] [ 3.95970192e-12 -6.30356764e-13 1.44326481e-12] [-1.22758920e-04 -2.66845527e-04 -9.41599950e-04] [ 1.22758926e-04 2.66845525e-04 -9.41599954e-04] [-1.22758920e-04 -2.66845517e-04 9.41599960e-04] [ 1.22758930e-04 2.66845511e-04 9.41599967e-04] [-2.66845509e-04 -1.22758925e-04 -9.41599971e-04] [-2.66845499e-04 -1.22758926e-04 9.41599980e-04] [ 2.66845525e-04 1.22758920e-04 -9.41599951e-04] [ 2.66845510e-04 1.22758924e-04 9.41599968e-04] [ 1.70969202e-03 1.70969201e-03 6.37501163e-12] [-1.73044507e-04 1.73044516e-04 7.47721676e-12] [ 1.73044506e-04 -1.73044511e-04 9.37480302e-12] [-1.70969201e-03 -1.70969203e-03 6.34419080e-12] [-1.22758930e-04 -2.66845502e-04 -9.41599974e-04] [ 1.22758918e-04 2.66845506e-04 -9.41599971e-04] [-1.22758933e-04 -2.66845517e-04 9.41599961e-04] [ 1.22758914e-04 2.66845524e-04 9.41599957e-04] [-2.66845515e-04 -1.22758920e-04 -9.41599961e-04] [-2.66845528e-04 -1.22758921e-04 9.41599950e-04] [ 2.66845510e-04 1.22758928e-04 -9.41599969e-04] [ 2.66845523e-04 1.22758929e-04 9.41599955e-04] [ 1.70969201e-03 1.70969202e-03 -1.00887591e-11] [-1.73044521e-04 1.73044502e-04 -3.42485977e-12] [ 1.73044514e-04 -1.73044510e-04 -4.45686544e-12] [-1.70969203e-03 -1.70969200e-03 -3.66832216e-12]] Final stress: [ 1.23353262e-05 1.23353262e-05 -8.82776168e-05 5.50302746e-16 -6.31767502e-17 1.40276529e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 2.77494885e-04 6.09955479e-05 5.14436584e-14] [-2.77494884e-04 -6.09955478e-05 6.78623824e-14] [ 6.09955477e-05 2.77494884e-04 1.82124715e-13] [-6.09955478e-05 -2.77494885e-04 -2.56183963e-14] [-9.85756615e-16 -9.13878348e-14 -5.80622855e-04] [-2.23349117e-13 -2.24126273e-13 5.80622856e-04] [ 2.77494884e-04 6.09955476e-05 -1.26837844e-13] [-2.77494885e-04 -6.09955477e-05 -6.45326751e-14] [ 6.09955479e-05 2.77494885e-04 -6.48078898e-14] [-6.09955478e-05 -2.77494885e-04 -6.47457993e-14] [ 1.23552644e-13 1.33570853e-13 -5.80622856e-04] [ 1.19827759e-13 -9.13361641e-14 5.80622855e-04] [ 4.96062235e-04 4.96062235e-04 -6.17050400e-05] [-4.96062236e-04 -4.96062236e-04 -6.17050398e-05] [-3.66557452e-04 3.66557453e-04 2.85542359e-04] [ 3.66557453e-04 -3.66557453e-04 2.85542360e-04] [ 4.96062236e-04 4.96062236e-04 6.17050397e-05] [-4.96062236e-04 -4.96062236e-04 6.17050395e-05] [ 3.66557452e-04 -3.66557452e-04 -2.85542360e-04] [-3.66557452e-04 3.66557452e-04 -2.85542359e-04] [ 4.96062236e-04 4.96062237e-04 -6.17050395e-05] [-4.96062236e-04 -4.96062236e-04 -6.17050397e-05] [-3.66557452e-04 3.66557452e-04 2.85542360e-04] [ 3.66557453e-04 -3.66557452e-04 2.85542360e-04] [ 4.96062235e-04 4.96062236e-04 6.17050398e-05] [-4.96062235e-04 -4.96062235e-04 6.17050399e-05] [ 3.66557453e-04 -3.66557453e-04 -2.85542359e-04] [-3.66557452e-04 3.66557452e-04 -2.85542359e-04] [-9.56235091e-13 2.55823140e-13 -1.13004051e-12] [ 7.14150527e-13 1.06531608e-13 1.43645628e-12] [ 1.23348654e-04 -1.42460038e-04 -1.38110876e-04] [-1.23348652e-04 1.42460038e-04 -1.38110876e-04] [ 1.23348655e-04 -1.42460035e-04 1.38110879e-04] [-1.23348653e-04 1.42460034e-04 1.38110879e-04] [-1.42460029e-04 1.23348653e-04 -1.38110885e-04] [-1.42460026e-04 1.23348654e-04 1.38110888e-04] [ 1.42460030e-04 -1.23348654e-04 -1.38110884e-04] [ 1.42460027e-04 -1.23348654e-04 1.38110886e-04] [ 7.73619991e-05 7.73620033e-05 1.50279789e-12] [-2.87850199e-04 2.87850209e-04 1.19075930e-12] [ 2.87850200e-04 -2.87850207e-04 8.82965576e-13] [-7.73619967e-05 -7.73620066e-05 1.65250279e-12] [ 1.23348653e-04 -1.42460027e-04 -1.38110887e-04] [-1.23348655e-04 1.42460027e-04 -1.38110887e-04] [ 1.23348653e-04 -1.42460029e-04 1.38110885e-04] [-1.23348655e-04 1.42460030e-04 1.38110884e-04] [-1.42460036e-04 1.23348653e-04 -1.38110878e-04] [-1.42460039e-04 1.23348653e-04 1.38110875e-04] [ 1.42460034e-04 -1.23348653e-04 -1.38110880e-04] [ 1.42460036e-04 -1.23348653e-04 1.38110878e-04] [ 7.73620049e-05 7.73619985e-05 -1.79433858e-12] [-2.87850209e-04 2.87850199e-04 -1.88398600e-12] [ 2.87850207e-04 -2.87850200e-04 -1.87490372e-12] [-7.73620055e-05 -7.73619971e-05 -1.16209559e-12]] Final stress: [-3.43855114e-06 -3.43855114e-06 -2.51957111e-05 7.74746463e-16 1.11390586e-16 -1.41251438e-03] Minimization converged after 26 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.06515748e-02 1.39816110e-13 -8.10853121e-15] [-1.06515748e-02 -1.10189635e-14 -7.20534743e-14] [-1.78585445e-14 1.06515748e-02 7.11479486e-14] [ 8.77076189e-15 -1.06515748e-02 -2.60902411e-15] [-5.40973516e-15 -3.06555996e-14 2.55019706e-03] [ 2.85604873e-14 8.13238366e-15 -2.55019706e-03] [ 1.06515748e-02 8.41128382e-14 5.36249584e-14] [-1.06515748e-02 1.21280156e-13 1.75837264e-14] [-2.69194389e-14 1.06515748e-02 1.65259807e-15] [-5.32902715e-14 -1.06515748e-02 -3.70356377e-14] [-2.75062091e-14 -3.19017486e-15 2.55019706e-03] [ 1.44793032e-14 -9.81599638e-15 -2.55019706e-03] [ 2.62361848e-05 2.62361848e-05 4.20921379e-03] [-2.62361846e-05 -2.62361847e-05 4.20921379e-03] [-2.62361845e-05 2.62361846e-05 -4.20921379e-03] [ 2.62361847e-05 -2.62361848e-05 -4.20921379e-03] [ 2.62361848e-05 2.62361847e-05 -4.20921379e-03] [-2.62361846e-05 -2.62361846e-05 -4.20921379e-03] [ 2.62361848e-05 -2.62361847e-05 4.20921379e-03] [-2.62361847e-05 2.62361847e-05 4.20921379e-03] [ 2.62361846e-05 2.62361847e-05 4.20921379e-03] [-2.62361846e-05 -2.62361847e-05 4.20921379e-03] [-2.62361849e-05 2.62361847e-05 -4.20921379e-03] [ 2.62361849e-05 -2.62361846e-05 -4.20921379e-03] [ 2.62361849e-05 2.62361846e-05 -4.20921379e-03] [-2.62361847e-05 -2.62361847e-05 -4.20921379e-03] [ 2.62361846e-05 -2.62361846e-05 4.20921379e-03] [-2.62361847e-05 2.62361847e-05 4.20921379e-03] [ 1.12271303e-13 -9.96702720e-14 4.57800464e-13] [-3.11381997e-13 -7.17460944e-14 1.00238553e-13] [-1.70530257e-13 -1.62591169e-03 3.23600499e-03] [-2.46289100e-13 1.62591169e-03 3.23600498e-03] [-3.76886022e-14 -1.62591169e-03 -3.23600499e-03] [ 1.81694937e-14 1.62591169e-03 -3.23600499e-03] [-1.62591169e-03 -2.15383267e-13 3.23600498e-03] [-1.62591169e-03 -9.24156585e-14 -3.23600498e-03] [ 1.62591169e-03 -1.64816077e-13 3.23600498e-03] [ 1.62591169e-03 5.01629988e-14 -3.23600498e-03] [-1.80884650e-03 -1.80884649e-03 2.37587727e-13] [ 1.80884649e-03 -1.80884649e-03 1.53575069e-14] [-1.80884649e-03 1.80884649e-03 6.10969608e-14] [ 1.80884649e-03 1.80884649e-03 -6.95693503e-14] [ 4.00937963e-14 -1.62591169e-03 3.23600499e-03] [ 1.81715320e-13 1.62591169e-03 3.23600498e-03] [-6.68042011e-15 -1.62591169e-03 -3.23600498e-03] [ 1.73555614e-13 1.62591169e-03 -3.23600498e-03] [-1.62591169e-03 -2.40821609e-13 3.23600499e-03] [-1.62591169e-03 -2.49240732e-14 -3.23600498e-03] [ 1.62591169e-03 -3.67934849e-14 3.23600499e-03] [ 1.62591169e-03 -5.50501485e-14 -3.23600499e-03] [-1.80884649e-03 -1.80884649e-03 2.14884690e-13] [ 1.80884649e-03 -1.80884649e-03 4.46772969e-13] [-1.80884649e-03 1.80884649e-03 1.86419893e-13] [ 1.80884649e-03 1.80884649e-03 2.33101732e-13]] Final stress: [3.01528169e-04 3.01528169e-04 8.62154131e-04 1.09518029e-16 1.65936408e-17 9.62431167e-17] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.37870981e-02 1.50929616e-14 7.32552040e-14] [ 1.37870981e-02 3.44169138e-15 1.20181642e-13] [-5.59756234e-14 -1.37870981e-02 6.08809878e-14] [-8.39051051e-14 1.37870981e-02 1.04777298e-13] [ 3.93747535e-14 5.92702970e-14 4.31390891e-04] [-3.55548924e-14 1.07136522e-14 -4.31390892e-04] [-1.37870981e-02 8.90680758e-14 -7.07802303e-14] [ 1.37870981e-02 6.66328971e-14 -6.20608014e-14] [ 4.43104754e-14 -1.37870981e-02 -3.83903151e-14] [ 1.59928494e-14 1.37870981e-02 -4.23369254e-14] [ 2.84910984e-14 -1.18026698e-14 4.31390892e-04] [-1.21951060e-15 -3.05427878e-14 -4.31390892e-04] [-9.31103649e-04 -9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 -9.31103649e-04 7.12339650e-03] [-9.31103649e-04 9.31103649e-04 7.12339650e-03] [-9.31103649e-04 -9.31103649e-04 7.12339650e-03] [ 9.31103649e-04 9.31103649e-04 7.12339650e-03] [-9.31103649e-04 9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 -9.31103649e-04 -7.12339650e-03] [-9.31103649e-04 -9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 -9.31103649e-04 7.12339650e-03] [-9.31103649e-04 9.31103649e-04 7.12339650e-03] [-9.31103649e-04 -9.31103649e-04 7.12339650e-03] [ 9.31103649e-04 9.31103649e-04 7.12339650e-03] [-9.31103649e-04 9.31103649e-04 -7.12339650e-03] [ 9.31103649e-04 -9.31103649e-04 -7.12339650e-03] [ 2.69451128e-13 1.41553436e-14 5.42926815e-13] [ 8.57035796e-14 -3.40641753e-13 7.96441648e-15] [-3.53050922e-14 -4.01239335e-03 -2.39082587e-03] [-2.31334049e-13 4.01239335e-03 -2.39082587e-03] [ 1.23444657e-13 -4.01239335e-03 2.39082587e-03] [-6.23424923e-14 4.01239335e-03 2.39082587e-03] [-4.01239335e-03 -4.04010159e-13 -2.39082587e-03] [-4.01239335e-03 -3.42469109e-13 2.39082587e-03] [ 4.01239335e-03 -2.25229557e-13 -2.39082587e-03] [ 4.01239335e-03 -1.26166438e-14 2.39082587e-03] [ 2.82173042e-03 2.82173041e-03 2.17381668e-13] [-2.82173042e-03 2.82173041e-03 5.07822950e-14] [ 2.82173042e-03 -2.82173041e-03 2.68991426e-13] [-2.82173042e-03 -2.82173041e-03 -4.32640035e-14] [ 2.19413897e-13 -4.01239335e-03 -2.39082587e-03] [ 2.94972380e-13 4.01239335e-03 -2.39082587e-03] [ 1.47609355e-13 -4.01239335e-03 2.39082587e-03] [ 2.10168688e-13 4.01239335e-03 2.39082587e-03] [-4.01239335e-03 -1.58715400e-13 -2.39082587e-03] [-4.01239335e-03 -2.37069912e-13 2.39082587e-03] [ 4.01239335e-03 -2.83087789e-13 -2.39082587e-03] [ 4.01239335e-03 -5.83053571e-14 2.39082587e-03] [ 2.82173041e-03 2.82173041e-03 2.66561079e-13] [-2.82173041e-03 2.82173042e-03 4.60052298e-13] [ 2.82173041e-03 -2.82173042e-03 4.42744860e-13] [-2.82173041e-03 -2.82173041e-03 2.91987788e-13]] Final stress: [-1.90681185e-04 -1.90681185e-04 -8.90859014e-04 4.66397720e-17 9.16138378e-17 1.51579259e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.06515748e-02 6.57551270e-14 3.80724098e-14] [-1.06515748e-02 3.15025783e-14 1.04360964e-13] [-4.38147782e-15 2.55019700e-03 -9.82872637e-14] [ 3.63875596e-14 -2.55019700e-03 1.24067423e-14] [-6.65539672e-14 -5.14015913e-14 1.06515748e-02] [-1.51822999e-14 -3.98847622e-14 -1.06515748e-02] [ 1.06515748e-02 2.45025354e-14 1.10959456e-14] [-1.06515748e-02 6.00131923e-14 -2.65986797e-14] [-2.52536707e-14 2.55019700e-03 1.24571839e-13] [-4.64840839e-14 -2.55019700e-03 -6.05942808e-15] [-8.40998278e-14 -2.76987387e-14 1.06515748e-02] [ 3.95595015e-14 1.53916208e-15 -1.06515748e-02] [ 2.62361901e-05 4.20921378e-03 2.62361900e-05] [-2.62361901e-05 -4.20921378e-03 2.62361899e-05] [-2.62361900e-05 4.20921378e-03 -2.62361900e-05] [ 2.62361901e-05 -4.20921378e-03 -2.62361901e-05] [ 2.62361901e-05 4.20921378e-03 -2.62361900e-05] [-2.62361900e-05 -4.20921378e-03 -2.62361899e-05] [ 2.62361900e-05 -4.20921378e-03 2.62361900e-05] [-2.62361900e-05 4.20921378e-03 2.62361899e-05] [ 2.62361899e-05 4.20921378e-03 2.62361897e-05] [-2.62361900e-05 -4.20921378e-03 2.62361899e-05] [-2.62361901e-05 4.20921378e-03 -2.62361902e-05] [ 2.62361899e-05 -4.20921378e-03 -2.62361900e-05] [ 2.62361902e-05 4.20921379e-03 -2.62361901e-05] [-2.62361901e-05 -4.20921378e-03 -2.62361901e-05] [ 2.62361900e-05 -4.20921378e-03 2.62361899e-05] [-2.62361901e-05 4.20921378e-03 2.62361900e-05] [ 1.55708779e-13 -1.56263891e-13 5.71348524e-13] [-3.20066890e-13 -6.00306432e-14 1.95099369e-13] [-1.25455202e-14 3.23600497e-03 -1.62591166e-03] [-1.11258225e-13 -3.23600497e-03 -1.62591166e-03] [ 2.55524768e-15 3.23600497e-03 1.62591166e-03] [-1.84536414e-13 -3.23600497e-03 1.62591166e-03] [-1.80884648e-03 -3.06643599e-13 -1.80884648e-03] [-1.80884648e-03 9.68305297e-14 1.80884648e-03] [ 1.80884648e-03 -2.35384628e-14 -1.80884648e-03] [ 1.80884648e-03 1.17338431e-13 1.80884648e-03] [-1.62591166e-03 3.23600497e-03 2.83550960e-13] [ 1.62591166e-03 3.23600497e-03 3.28462951e-13] [-1.62591166e-03 -3.23600497e-03 1.95536295e-13] [ 1.62591166e-03 -3.23600497e-03 -4.78835721e-14] [ 2.17301004e-13 3.23600497e-03 -1.62591166e-03] [ 2.42419366e-13 -3.23600497e-03 -1.62591166e-03] [-1.04447700e-13 3.23600497e-03 1.62591166e-03] [ 1.68962500e-13 -3.23600497e-03 1.62591166e-03] [-1.80884648e-03 1.77235013e-15 -1.80884648e-03] [-1.80884648e-03 -2.40499027e-13 1.80884648e-03] [ 1.80884648e-03 -1.60262862e-13 -1.80884648e-03] [ 1.80884648e-03 -2.41849075e-13 1.80884648e-03] [-1.62591166e-03 3.23600497e-03 1.16953093e-13] [ 1.62591166e-03 3.23600497e-03 1.50482196e-13] [-1.62591166e-03 -3.23600497e-03 1.25965478e-13] [ 1.62591166e-03 -3.23600497e-03 2.19062615e-13]] Final stress: [ 3.01528169e-04 8.62154131e-04 3.01528169e-04 -0.00000000e+00 -1.26111670e-16 -1.32749126e-16] Minimization converged after 36 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.37600782e-02 -8.91869044e-14 2.81454547e-14] [ 1.37600782e-02 -1.47382107e-14 4.05231404e-14] [ 4.25935329e-14 4.47367365e-04 7.75703286e-14] [ 4.15778523e-14 -4.47367365e-04 -5.02098363e-14] [-3.92871499e-15 -8.62998908e-14 -1.37600782e-02] [-1.57651669e-14 -4.60742555e-15 1.37600782e-02] [-1.37600782e-02 -2.35514733e-14 9.12689673e-16] [ 1.37600782e-02 -4.28433330e-14 -1.98535559e-14] [ 2.90067449e-14 4.47367365e-04 -1.41955410e-14] [ 8.26769209e-15 -4.47367365e-04 -2.66061425e-14] [-1.29021360e-13 -9.42233135e-15 -1.37600782e-02] [-2.78852462e-14 9.49739118e-14 1.37600782e-02] [-9.35917414e-04 -7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 -7.12221572e-03 9.35917414e-04] [-9.35917414e-04 7.12221572e-03 9.35917414e-04] [-9.35917414e-04 -7.12221572e-03 9.35917414e-04] [ 9.35917414e-04 7.12221572e-03 9.35917414e-04] [-9.35917414e-04 7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 -7.12221572e-03 -9.35917414e-04] [-9.35917414e-04 -7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 -7.12221572e-03 9.35917414e-04] [-9.35917414e-04 7.12221572e-03 9.35917414e-04] [-9.35917414e-04 -7.12221572e-03 9.35917414e-04] [ 9.35917414e-04 7.12221572e-03 9.35917414e-04] [-9.35917414e-04 7.12221572e-03 -9.35917414e-04] [ 9.35917414e-04 -7.12221572e-03 -9.35917414e-04] [ 4.19775326e-13 -1.88238314e-13 4.63462602e-13] [-8.11156697e-15 -1.55570072e-13 7.03954614e-14] [-1.63091762e-13 -2.48773088e-03 -3.94345340e-03] [-8.10254641e-14 2.48773088e-03 -3.94345340e-03] [ 1.55844088e-13 -2.48773088e-03 3.94345340e-03] [-1.87801164e-14 2.48773088e-03 3.94345340e-03] [ 2.81430337e-03 -3.52495810e-13 2.81430337e-03] [ 2.81430337e-03 -2.69116326e-13 -2.81430337e-03] [-2.81430337e-03 -9.53924439e-15 2.81430337e-03] [-2.81430337e-03 -6.01914352e-14 -2.81430337e-03] [-3.94345340e-03 -2.48773088e-03 3.78919118e-13] [ 3.94345340e-03 -2.48773088e-03 8.10462808e-15] [-3.94345340e-03 2.48773088e-03 2.04064196e-13] [ 3.94345340e-03 2.48773088e-03 1.01932351e-13] [ 1.12273038e-13 -2.48773088e-03 -3.94345340e-03] [ 3.42246630e-13 2.48773088e-03 -3.94345340e-03] [ 2.23155262e-13 -2.48773088e-03 3.94345340e-03] [ 2.35738946e-13 2.48773088e-03 3.94345340e-03] [ 2.81430337e-03 -4.39610093e-13 2.81430337e-03] [ 2.81430337e-03 -2.25402379e-13 -2.81430337e-03] [-2.81430337e-03 -4.38420567e-13 2.81430337e-03] [-2.81430337e-03 -7.26792758e-14 -2.81430337e-03] [-3.94345340e-03 -2.48773088e-03 3.39386386e-13] [ 3.94345340e-03 -2.48773088e-03 2.87846481e-13] [-3.94345340e-03 2.48773088e-03 -1.28695679e-14] [ 3.94345340e-03 2.48773088e-03 7.87859361e-14]] Final stress: [-1.90623229e-04 -8.90187337e-04 -1.90623229e-04 -6.66282457e-17 -1.31590785e-16 -1.21596548e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.59260317e-03 -1.11234806e-14 1.32888492e-14] [-5.59260317e-03 -9.76996262e-15 2.96984659e-15] [ 1.40525612e-14 8.86768300e-04 -1.14665557e-03] [ 4.58522109e-14 -8.86768300e-04 1.14665557e-03] [ 3.36939678e-14 -1.14665557e-03 8.86768300e-04] [ 1.65978342e-14 1.14665557e-03 -8.86768300e-04] [ 5.59260317e-03 -1.65063276e-14 2.89579376e-14] [-5.59260317e-03 -1.06828608e-14 1.48707840e-14] [ 2.07889261e-14 8.86768300e-04 -1.14665557e-03] [ 1.95286495e-15 -8.86768300e-04 1.14665557e-03] [ 6.26495383e-15 -1.14665557e-03 8.86768300e-04] [ 1.69963869e-14 1.14665557e-03 -8.86768300e-04] [ 2.14671838e-03 1.98252628e-03 1.98252628e-03] [ 4.67376457e-03 -1.39327584e-03 1.39327584e-03] [ 4.67376457e-03 1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 -1.98252628e-03 -1.98252628e-03] [-4.67376457e-03 1.39327584e-03 -1.39327584e-03] [-2.14671838e-03 -1.98252628e-03 -1.98252628e-03] [-4.67376457e-03 -1.39327584e-03 1.39327584e-03] [-2.14671838e-03 1.98252628e-03 1.98252628e-03] [ 2.14671838e-03 1.98252628e-03 1.98252628e-03] [ 4.67376457e-03 -1.39327584e-03 1.39327584e-03] [ 4.67376457e-03 1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 -1.98252628e-03 -1.98252628e-03] [-4.67376457e-03 1.39327584e-03 -1.39327584e-03] [-2.14671838e-03 -1.98252628e-03 -1.98252628e-03] [-4.67376457e-03 -1.39327584e-03 1.39327584e-03] [-2.14671838e-03 1.98252628e-03 1.98252628e-03] [ 9.12603326e-14 -3.33066907e-14 7.75213227e-14] [-6.66784336e-15 -8.48176111e-14 6.62212470e-14] [ 4.19664303e-14 6.98726428e-03 6.98726428e-03] [ 5.54764568e-14 1.24474769e-03 -1.24474769e-03] [ 9.58608193e-14 -1.24474769e-03 1.24474769e-03] [ 5.53966595e-14 -6.98726428e-03 -6.98726428e-03] [-2.32325439e-04 2.63881483e-03 6.02312979e-04] [-2.32325439e-04 -2.63881483e-03 -6.02312979e-04] [ 2.32325439e-04 2.63881483e-03 6.02312979e-04] [ 2.32325439e-04 -2.63881483e-03 -6.02312979e-04] [-2.32325439e-04 6.02312979e-04 2.63881483e-03] [ 2.32325439e-04 6.02312979e-04 2.63881483e-03] [-2.32325439e-04 -6.02312979e-04 -2.63881483e-03] [ 2.32325439e-04 -6.02312979e-04 -2.63881483e-03] [-4.38889376e-14 6.98726428e-03 6.98726428e-03] [-3.68542002e-15 1.24474769e-03 -1.24474769e-03] [-1.22137543e-14 -1.24474769e-03 1.24474769e-03] [-1.35633692e-14 -6.98726428e-03 -6.98726428e-03] [-2.32325439e-04 2.63881483e-03 6.02312979e-04] [-2.32325439e-04 -2.63881483e-03 -6.02312979e-04] [ 2.32325439e-04 2.63881483e-03 6.02312979e-04] [ 2.32325439e-04 -2.63881483e-03 -6.02312979e-04] [-2.32325439e-04 6.02312979e-04 2.63881483e-03] [ 2.32325439e-04 6.02312979e-04 2.63881483e-03] [-2.32325439e-04 -6.02312979e-04 -2.63881483e-03] [ 2.32325439e-04 -6.02312979e-04 -2.63881483e-03]] Final stress: [-6.92804382e-05 3.63192683e-04 3.63192683e-04 4.30423587e-04 2.32532732e-17 -2.82361174e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.59260317e-03 -4.86598609e-14 -7.77546430e-15] [-5.59260317e-03 -1.86239912e-14 1.26842981e-14] [ 2.46473848e-14 8.86768300e-04 1.14665557e-03] [-8.46545056e-15 -8.86768299e-04 -1.14665557e-03] [ 1.94527554e-14 1.14665557e-03 8.86768299e-04] [-1.80411242e-14 -1.14665557e-03 -8.86768299e-04] [ 5.59260317e-03 -1.03393856e-14 -1.52622140e-14] [-5.59260317e-03 1.44762674e-15 1.04989691e-14] [ 9.84455573e-16 8.86768300e-04 1.14665557e-03] [ 8.49754295e-15 -8.86768299e-04 -1.14665557e-03] [-1.08819204e-14 1.14665557e-03 8.86768299e-04] [-1.63285184e-14 -1.14665557e-03 -8.86768299e-04] [-4.67376456e-03 1.39327584e-03 1.39327584e-03] [-2.14671838e-03 -1.98252628e-03 1.98252628e-03] [-2.14671838e-03 1.98252628e-03 -1.98252628e-03] [-4.67376456e-03 -1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 1.98252628e-03 -1.98252628e-03] [ 4.67376456e-03 -1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 -1.98252628e-03 1.98252628e-03] [ 4.67376456e-03 1.39327584e-03 1.39327584e-03] [-4.67376456e-03 1.39327584e-03 1.39327584e-03] [-2.14671838e-03 -1.98252628e-03 1.98252628e-03] [-2.14671838e-03 1.98252628e-03 -1.98252628e-03] [-4.67376456e-03 -1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 1.98252628e-03 -1.98252628e-03] [ 4.67376456e-03 -1.39327584e-03 -1.39327584e-03] [ 2.14671838e-03 -1.98252628e-03 1.98252628e-03] [ 4.67376456e-03 1.39327584e-03 1.39327584e-03] [ 5.15698595e-14 -1.75831572e-13 1.32227562e-13] [-6.11359921e-14 -3.05696930e-14 -1.36460599e-14] [-5.05151476e-14 -1.24474769e-03 -1.24474769e-03] [ 6.31890373e-14 -6.98726428e-03 6.98726428e-03] [-3.44030360e-14 6.98726428e-03 -6.98726428e-03] [ 3.72184922e-14 1.24474769e-03 1.24474769e-03] [-2.32325439e-04 -2.63881483e-03 6.02312978e-04] [-2.32325439e-04 2.63881483e-03 -6.02312978e-04] [ 2.32325439e-04 -2.63881483e-03 6.02312978e-04] [ 2.32325439e-04 2.63881483e-03 -6.02312978e-04] [-2.32325439e-04 6.02312978e-04 -2.63881483e-03] [ 2.32325439e-04 6.02312978e-04 -2.63881483e-03] [-2.32325439e-04 -6.02312978e-04 2.63881483e-03] [ 2.32325439e-04 -6.02312978e-04 2.63881483e-03] [-8.41176087e-14 -1.24474769e-03 -1.24474769e-03] [-8.10736027e-14 -6.98726428e-03 6.98726428e-03] [-2.28974825e-14 6.98726428e-03 -6.98726428e-03] [-3.46077333e-16 1.24474769e-03 1.24474769e-03] [-2.32325439e-04 -2.63881483e-03 6.02312978e-04] [-2.32325439e-04 2.63881483e-03 -6.02312978e-04] [ 2.32325439e-04 -2.63881483e-03 6.02312978e-04] [ 2.32325439e-04 2.63881483e-03 -6.02312978e-04] [-2.32325439e-04 6.02312978e-04 -2.63881483e-03] [ 2.32325439e-04 6.02312978e-04 -2.63881483e-03] [-2.32325439e-04 -6.02312978e-04 2.63881483e-03] [ 2.32325439e-04 -6.02312978e-04 2.63881483e-03]] Final stress: [-6.92804381e-05 3.63192683e-04 3.63192683e-04 -4.30423587e-04 -2.65751693e-17 -2.65751693e-17] Minimization converged after 29 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.55729822e-03 1.54880449e-14 -1.11164998e-03] [-4.55729822e-03 1.30173650e-14 1.11164998e-03] [ 1.43674135e-14 6.64794078e-04 2.44769482e-15] [ 5.38458167e-15 -6.64794078e-04 1.91513472e-15] [-9.24055638e-04 -2.54136989e-15 7.67238596e-04] [ 9.24055638e-04 2.19269047e-15 -7.67238596e-04] [ 4.55729822e-03 -2.79290480e-15 -1.11164998e-03] [-4.55729822e-03 1.84492178e-14 1.11164998e-03] [ 8.89089150e-15 6.64794078e-04 5.45662944e-15] [-4.73319300e-15 -6.64794078e-04 5.66632219e-15] [-9.24055638e-04 -5.80170949e-15 7.67238596e-04] [ 9.24055638e-04 -1.53173276e-14 -7.67238596e-04] [-8.18991749e-04 3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 1.27043157e-03 9.91212621e-04] [ 8.18991749e-04 3.83279116e-03 -1.66388734e-03] [-1.42205959e-03 1.27043157e-03 -9.91212620e-04] [-1.42205959e-03 -1.27043157e-03 -9.91212621e-04] [ 8.18991749e-04 -3.83279116e-03 -1.66388734e-03] [-8.18991749e-04 -3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 -1.27043157e-03 9.91212621e-04] [-8.18991749e-04 3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 1.27043157e-03 9.91212621e-04] [ 8.18991749e-04 3.83279116e-03 -1.66388734e-03] [-1.42205959e-03 1.27043157e-03 -9.91212621e-04] [-1.42205959e-03 -1.27043157e-03 -9.91212621e-04] [ 8.18991749e-04 -3.83279116e-03 -1.66388734e-03] [-8.18991749e-04 -3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 -1.27043157e-03 9.91212621e-04] [ 3.56936702e-14 -5.82311976e-14 -1.17406085e-14] [-6.22319037e-14 -1.34197036e-13 3.01531062e-14] [ 1.66458820e-03 2.26930115e-03 2.26612749e-03] [ 1.66458820e-03 -2.26930115e-03 2.26612749e-03] [-1.66458820e-03 2.26930115e-03 -2.26612749e-03] [-1.66458820e-03 -2.26930115e-03 -2.26612749e-03] [ 2.97703191e-03 -9.91429161e-14 3.50282478e-03] [-3.43852110e-03 -1.32914513e-14 3.07259467e-03] [ 3.43852110e-03 -1.15848303e-13 -3.07259467e-03] [-2.97703191e-03 -1.54841417e-14 -3.50282478e-03] [-2.42384142e-04 2.05233409e-04 1.81499324e-03] [ 2.42384142e-04 2.05233409e-04 -1.81499324e-03] [-2.42384142e-04 -2.05233409e-04 1.81499324e-03] [ 2.42384142e-04 -2.05233409e-04 -1.81499324e-03] [ 1.66458820e-03 2.26930115e-03 2.26612749e-03] [ 1.66458820e-03 -2.26930115e-03 2.26612749e-03] [-1.66458820e-03 2.26930115e-03 -2.26612749e-03] [-1.66458820e-03 -2.26930115e-03 -2.26612749e-03] [ 2.97703191e-03 -4.11099841e-14 3.50282478e-03] [-3.43852110e-03 5.94945100e-15 3.07259467e-03] [ 3.43852110e-03 -7.34542635e-14 -3.07259467e-03] [-2.97703191e-03 -2.45602150e-14 -3.50282478e-03] [-2.42384142e-04 2.05233409e-04 1.81499324e-03] [ 2.42384142e-04 2.05233409e-04 -1.81499324e-03] [-2.42384142e-04 -2.05233409e-04 1.81499324e-03] [ 2.42384142e-04 -2.05233409e-04 -1.81499324e-03]] Final stress: [-2.90646528e-05 3.57187243e-04 3.58032984e-04 -4.98284425e-18 4.30827000e-04 1.16266366e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.55729822e-03 -3.61256164e-15 1.11164998e-03] [-4.55729822e-03 4.16333634e-15 -1.11164998e-03] [-1.03259415e-14 6.64794078e-04 -7.77589798e-15] [-2.72004641e-15 -6.64794078e-04 1.88737914e-15] [ 9.24055638e-04 -8.50101239e-15 7.67238596e-04] [-9.24055638e-04 -2.03170814e-14 -7.67238596e-04] [ 4.55729822e-03 -3.06443239e-14 1.11164998e-03] [-4.55729822e-03 -1.40143973e-14 -1.11164998e-03] [ 1.42121558e-14 6.64794078e-04 -5.35581982e-15] [-5.63785130e-15 -6.64794078e-04 -7.88930722e-16] [ 9.24055638e-04 -2.00072285e-15 7.67238596e-04] [-9.24055638e-04 8.11878740e-15 -7.67238596e-04] [-1.42205959e-03 -1.27043156e-03 9.91212619e-04] [ 8.18991749e-04 -3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 -1.27043156e-03 -9.91212619e-04] [-8.18991749e-04 -3.83279116e-03 -1.66388734e-03] [-8.18991749e-04 3.83279116e-03 -1.66388734e-03] [ 1.42205959e-03 1.27043156e-03 -9.91212619e-04] [-1.42205959e-03 1.27043156e-03 9.91212619e-04] [ 8.18991749e-04 3.83279116e-03 1.66388734e-03] [-1.42205959e-03 -1.27043156e-03 9.91212619e-04] [ 8.18991749e-04 -3.83279116e-03 1.66388734e-03] [ 1.42205959e-03 -1.27043156e-03 -9.91212619e-04] [-8.18991749e-04 -3.83279116e-03 -1.66388734e-03] [-8.18991749e-04 3.83279116e-03 -1.66388734e-03] [ 1.42205959e-03 1.27043156e-03 -9.91212619e-04] [-1.42205959e-03 1.27043156e-03 9.91212619e-04] [ 8.18991749e-04 3.83279116e-03 1.66388734e-03] [ 5.31519273e-14 -5.89805982e-14 3.36120021e-14] [ 5.53992616e-14 -4.87280608e-14 -1.63485744e-15] [-1.66458820e-03 2.26930115e-03 2.26612749e-03] [-1.66458820e-03 -2.26930115e-03 2.26612749e-03] [ 1.66458820e-03 2.26930115e-03 -2.26612749e-03] [ 1.66458820e-03 -2.26930115e-03 -2.26612749e-03] [-3.43852110e-03 -3.51940699e-14 -3.07259467e-03] [ 2.97703191e-03 -4.34548231e-15 -3.50282477e-03] [-2.97703191e-03 -2.93515212e-14 3.50282477e-03] [ 3.43852110e-03 7.78023479e-15 3.07259467e-03] [-2.42384142e-04 2.05233408e-04 -1.81499324e-03] [ 2.42384142e-04 2.05233408e-04 1.81499324e-03] [-2.42384142e-04 -2.05233408e-04 -1.81499324e-03] [ 2.42384142e-04 -2.05233408e-04 1.81499324e-03] [-1.66458820e-03 2.26930115e-03 2.26612749e-03] [-1.66458820e-03 -2.26930115e-03 2.26612749e-03] [ 1.66458820e-03 2.26930115e-03 -2.26612749e-03] [ 1.66458820e-03 -2.26930115e-03 -2.26612749e-03] [-3.43852110e-03 -6.32385760e-14 -3.07259467e-03] [ 2.97703191e-03 -5.45579207e-14 -3.50282477e-03] [-2.97703191e-03 -7.43957847e-14 3.50282477e-03] [ 3.43852110e-03 -5.65832103e-14 3.07259467e-03] [-2.42384142e-04 2.05233408e-04 -1.81499324e-03] [ 2.42384142e-04 2.05233408e-04 1.81499324e-03] [-2.42384142e-04 -2.05233408e-04 -1.81499324e-03] [ 2.42384142e-04 -2.05233408e-04 1.81499324e-03]] Final stress: [-2.90646527e-05 3.57187243e-04 3.58032984e-04 -2.15923251e-17 -4.30827000e-04 -4.48455982e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.85706774e-03 -4.25831245e-15 -9.50611250e-04] [ 2.85706774e-03 4.21884749e-15 9.50611250e-04] [-4.50941368e-15 -7.13401094e-04 2.83757393e-15] [ 3.44169138e-15 7.13401094e-04 5.55111512e-16] [-1.04658173e-03 -3.60258698e-15 -6.93663446e-04] [ 1.04658173e-03 -2.35922393e-15 6.93663446e-04] [-2.85706774e-03 2.88701354e-15 -9.50611250e-04] [ 2.85706774e-03 3.18538598e-15 9.50611250e-04] [-7.19519930e-15 -7.13401094e-04 -4.15576641e-15] [-3.58263766e-15 7.13401094e-04 -1.37596818e-15] [-1.04658173e-03 3.54718529e-17 -6.93663446e-04] [ 1.04658173e-03 4.67316502e-15 6.93663446e-04] [ 1.51228544e-03 5.99034088e-04 -3.39201673e-04] [-6.10193082e-04 2.16313716e-03 -1.19766230e-03] [-1.51228544e-03 5.99034088e-04 3.39201673e-04] [ 6.10193082e-04 2.16313716e-03 1.19766230e-03] [ 6.10193082e-04 -2.16313716e-03 1.19766230e-03] [-1.51228544e-03 -5.99034088e-04 3.39201673e-04] [ 1.51228544e-03 -5.99034088e-04 -3.39201673e-04] [-6.10193082e-04 -2.16313716e-03 -1.19766230e-03] [ 1.51228544e-03 5.99034088e-04 -3.39201673e-04] [-6.10193082e-04 2.16313716e-03 -1.19766230e-03] [-1.51228544e-03 5.99034088e-04 3.39201673e-04] [ 6.10193082e-04 2.16313716e-03 1.19766230e-03] [ 6.10193082e-04 -2.16313716e-03 1.19766230e-03] [-1.51228544e-03 -5.99034088e-04 3.39201673e-04] [ 1.51228544e-03 -5.99034088e-04 -3.39201673e-04] [-6.10193082e-04 -2.16313716e-03 -1.19766230e-03] [ 6.74460487e-15 -1.90958360e-14 4.34374758e-14] [ 7.85092477e-15 -8.55811223e-15 -5.81933276e-15] [ 3.26199749e-04 -1.41716274e-03 -1.42568041e-03] [ 3.26199749e-04 1.41716274e-03 -1.42568041e-03] [-3.26199749e-04 -1.41716274e-03 1.42568041e-03] [-3.26199749e-04 1.41716274e-03 1.42568041e-03] [ 2.33953307e-03 4.88498131e-15 2.09372171e-03] [-1.45217205e-03 1.29236899e-15 1.63937514e-03] [ 1.45217205e-03 -1.17440779e-14 -1.63937514e-03] [-2.33953307e-03 -9.71445147e-17 -2.09372171e-03] [ 4.32611335e-04 2.25059423e-04 2.41902275e-04] [-4.32611335e-04 2.25059423e-04 -2.41902275e-04] [ 4.32611335e-04 -2.25059423e-04 2.41902275e-04] [-4.32611335e-04 -2.25059423e-04 -2.41902275e-04] [ 3.26199749e-04 -1.41716274e-03 -1.42568041e-03] [ 3.26199749e-04 1.41716274e-03 -1.42568041e-03] [-3.26199749e-04 -1.41716274e-03 1.42568041e-03] [-3.26199749e-04 1.41716274e-03 1.42568041e-03] [ 2.33953307e-03 -2.58349956e-14 2.09372171e-03] [-1.45217205e-03 -9.18731237e-15 1.63937514e-03] [ 1.45217205e-03 -1.20355115e-14 -1.63937514e-03] [-2.33953307e-03 -8.94466792e-15 -2.09372171e-03] [ 4.32611335e-04 2.25059423e-04 2.41902275e-04] [-4.32611335e-04 2.25059423e-04 -2.41902275e-04] [ 4.32611335e-04 -2.25059423e-04 2.41902275e-04] [-4.32611335e-04 -2.25059423e-04 -2.41902275e-04]] Final stress: [-2.53328793e-05 -3.52765262e-04 -3.52390611e-04 1.16488338e-17 4.34792631e-04 -1.99694294e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.84787796e-03 -1.63541056e-15 9.97961003e-04] [ 2.84787796e-03 3.88578059e-16 -9.97961003e-04] [ 2.30371278e-15 -7.03496608e-04 5.16253706e-15] [ 5.77315973e-15 7.03496608e-04 -3.66373598e-15] [ 1.09407708e-03 -5.59101376e-15 -6.83915022e-04] [-1.09407708e-03 3.74700271e-15 6.83915022e-04] [-2.84787796e-03 4.50551055e-15 9.97961003e-04] [ 2.84787796e-03 1.71867728e-15 -9.97961003e-04] [ 1.57859836e-16 -7.03496608e-04 -9.34062067e-15] [ 8.19223162e-16 7.03496608e-04 5.69972663e-15] [ 1.09407708e-03 5.15815525e-15 -6.83915022e-04] [-1.09407708e-03 -1.28344165e-15 6.83915022e-04] [ 5.95128268e-04 -2.13646284e-03 -1.21064603e-03] [-1.51805742e-03 -5.67986000e-04 -3.30846149e-04] [-5.95128268e-04 -2.13646284e-03 1.21064603e-03] [ 1.51805742e-03 -5.67986000e-04 3.30846149e-04] [ 1.51805742e-03 5.67986000e-04 3.30846149e-04] [-5.95128268e-04 2.13646284e-03 1.21064603e-03] [ 5.95128268e-04 2.13646284e-03 -1.21064603e-03] [-1.51805742e-03 5.67986000e-04 -3.30846149e-04] [ 5.95128268e-04 -2.13646284e-03 -1.21064603e-03] [-1.51805742e-03 -5.67986000e-04 -3.30846149e-04] [-5.95128268e-04 -2.13646284e-03 1.21064603e-03] [ 1.51805742e-03 -5.67986000e-04 3.30846149e-04] [ 1.51805742e-03 5.67986000e-04 3.30846149e-04] [-5.95128268e-04 2.13646284e-03 1.21064603e-03] [ 5.95128268e-04 2.13646284e-03 -1.21064603e-03] [-1.51805742e-03 5.67986000e-04 -3.30846149e-04] [ 4.19109192e-15 -1.05193632e-14 5.67046410e-14] [ 1.00574930e-14 -3.56073568e-15 -3.59091465e-14] [-3.25714610e-04 -1.43001431e-03 -1.43815151e-03] [-3.25714610e-04 1.43001431e-03 -1.43815151e-03] [ 3.25714610e-04 -1.43001431e-03 1.43815151e-03] [ 3.25714610e-04 1.43001431e-03 1.43815151e-03] [-1.39884749e-03 1.59872116e-14 -1.71287682e-03] [ 2.40405986e-03 -1.39350337e-14 -2.02937531e-03] [-2.40405986e-03 1.01064990e-14 2.02937531e-03] [ 1.39884749e-03 -1.49567858e-14 1.71287682e-03] [ 4.91675122e-04 1.55895562e-04 -2.40736154e-04] [-4.91675122e-04 1.55895562e-04 2.40736154e-04] [ 4.91675122e-04 -1.55895562e-04 -2.40736154e-04] [-4.91675122e-04 -1.55895562e-04 2.40736154e-04] [-3.25714610e-04 -1.43001431e-03 -1.43815151e-03] [-3.25714610e-04 1.43001431e-03 -1.43815151e-03] [ 3.25714610e-04 -1.43001431e-03 1.43815151e-03] [ 3.25714610e-04 1.43001431e-03 1.43815151e-03] [-1.39884749e-03 -2.29171741e-14 -1.71287682e-03] [ 2.40405986e-03 -2.46243997e-15 -2.02937531e-03] [-2.40405986e-03 -2.84789553e-14 2.02937531e-03] [ 1.39884749e-03 1.61329283e-16 1.71287682e-03] [ 4.91675122e-04 1.55895562e-04 -2.40736154e-04] [-4.91675122e-04 1.55895562e-04 2.40736154e-04] [ 4.91675122e-04 -1.55895562e-04 -2.40736154e-04] [-4.91675122e-04 -1.55895562e-04 2.40736154e-04]] Final stress: [-2.52573633e-05 -3.52523464e-04 -3.52147784e-04 -1.83053103e-17 -4.34294232e-04 -6.65647647e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.55729821e-03 -1.11164998e-03 -2.68071156e-14] [-4.55729821e-03 1.11164998e-03 -1.47104551e-14] [-9.24055638e-04 7.67238595e-04 -9.55398954e-16] [ 9.24055638e-04 -7.67238595e-04 9.85322934e-15] [-2.99695165e-14 -9.81853487e-15 6.64794077e-04] [-5.30131494e-15 -1.16295862e-14 -6.64794077e-04] [ 4.55729821e-03 -1.11164998e-03 2.14710899e-15] [-4.55729821e-03 1.11164998e-03 7.67475829e-16] [-9.24055638e-04 7.67238595e-04 7.08595678e-15] [ 9.24055638e-04 -7.67238595e-04 9.24029742e-15] [-1.76816027e-14 1.40330833e-14 6.64794077e-04] [-2.67628801e-14 -9.37062809e-16 -6.64794077e-04] [-8.18991748e-04 1.66388734e-03 3.83279115e-03] [ 8.18991748e-04 -1.66388734e-03 3.83279115e-03] [ 1.42205959e-03 9.91212616e-04 1.27043156e-03] [-1.42205959e-03 -9.91212616e-04 1.27043156e-03] [-8.18991748e-04 1.66388734e-03 -3.83279115e-03] [ 8.18991748e-04 -1.66388734e-03 -3.83279115e-03] [-1.42205959e-03 -9.91212616e-04 -1.27043156e-03] [ 1.42205959e-03 9.91212616e-04 -1.27043156e-03] [-8.18991748e-04 1.66388734e-03 3.83279115e-03] [ 8.18991748e-04 -1.66388734e-03 3.83279115e-03] [ 1.42205959e-03 9.91212616e-04 1.27043156e-03] [-1.42205959e-03 -9.91212616e-04 1.27043156e-03] [-8.18991747e-04 1.66388734e-03 -3.83279115e-03] [ 8.18991748e-04 -1.66388734e-03 -3.83279115e-03] [-1.42205959e-03 -9.91212616e-04 -1.27043156e-03] [ 1.42205959e-03 9.91212616e-04 -1.27043156e-03] [ 4.86000129e-14 -9.23150445e-14 9.57012247e-14] [-3.02657205e-14 -7.57829879e-14 -1.07525725e-14] [ 1.66458819e-03 2.26612748e-03 2.26930115e-03] [-1.66458819e-03 -2.26612748e-03 2.26930115e-03] [ 1.66458819e-03 2.26612748e-03 -2.26930115e-03] [-1.66458819e-03 -2.26612748e-03 -2.26930115e-03] [-2.42384142e-04 1.81499323e-03 2.05233405e-04] [-2.42384142e-04 1.81499323e-03 -2.05233405e-04] [ 2.42384142e-04 -1.81499323e-03 2.05233405e-04] [ 2.42384142e-04 -1.81499323e-03 -2.05233405e-04] [ 2.97703190e-03 3.50282476e-03 -4.72955008e-14] [ 3.43852109e-03 -3.07259467e-03 5.83214033e-15] [-3.43852109e-03 3.07259467e-03 -5.63212671e-14] [-2.97703190e-03 -3.50282476e-03 -4.58851707e-14] [ 1.66458819e-03 2.26612748e-03 2.26930115e-03] [-1.66458819e-03 -2.26612748e-03 2.26930115e-03] [ 1.66458819e-03 2.26612748e-03 -2.26930115e-03] [-1.66458819e-03 -2.26612748e-03 -2.26930115e-03] [-2.42384142e-04 1.81499323e-03 2.05233405e-04] [-2.42384142e-04 1.81499323e-03 -2.05233405e-04] [ 2.42384142e-04 -1.81499323e-03 2.05233405e-04] [ 2.42384142e-04 -1.81499323e-03 -2.05233405e-04] [ 2.97703190e-03 3.50282476e-03 1.22013551e-13] [ 3.43852109e-03 -3.07259467e-03 6.02843208e-14] [-3.43852109e-03 3.07259467e-03 6.64239781e-14] [-2.97703190e-03 -3.50282476e-03 4.11962131e-14]] Final stress: [-2.90646524e-05 3.58032984e-04 3.57187242e-04 -6.64379233e-18 -2.65751693e-17 4.30827000e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.55729821e-03 1.11164998e-03 -1.78455341e-14] [-4.55729821e-03 -1.11164998e-03 -1.45716772e-14] [ 9.24055638e-04 7.67238595e-04 1.01680817e-14] [-9.24055638e-04 -7.67238595e-04 2.06223927e-14] [-6.35646050e-15 -9.41607903e-15 6.64794077e-04] [ 5.63438185e-15 1.40443213e-14 -6.64794077e-04] [ 4.55729821e-03 1.11164998e-03 -2.27217517e-14] [-4.55729821e-03 -1.11164998e-03 -3.14579184e-14] [ 9.24055638e-04 7.67238595e-04 -1.99118880e-14] [-9.24055638e-04 -7.67238595e-04 7.39286621e-15] [ 1.58640462e-15 3.92056145e-14 6.64794077e-04] [-2.95249936e-15 3.07401682e-15 -6.64794077e-04] [-1.42205959e-03 9.91212616e-04 -1.27043156e-03] [ 1.42205959e-03 -9.91212615e-04 -1.27043156e-03] [ 8.18991747e-04 1.66388734e-03 -3.83279115e-03] [-8.18991747e-04 -1.66388734e-03 -3.83279115e-03] [-1.42205959e-03 9.91212616e-04 1.27043156e-03] [ 1.42205959e-03 -9.91212615e-04 1.27043156e-03] [-8.18991747e-04 -1.66388734e-03 3.83279115e-03] [ 8.18991747e-04 1.66388734e-03 3.83279115e-03] [-1.42205959e-03 9.91212616e-04 -1.27043156e-03] [ 1.42205959e-03 -9.91212615e-04 -1.27043156e-03] [ 8.18991747e-04 1.66388734e-03 -3.83279115e-03] [-8.18991747e-04 -1.66388734e-03 -3.83279115e-03] [-1.42205959e-03 9.91212616e-04 1.27043156e-03] [ 1.42205959e-03 -9.91212615e-04 1.27043156e-03] [-8.18991747e-04 -1.66388734e-03 3.83279115e-03] [ 8.18991747e-04 1.66388734e-03 3.83279115e-03] [-3.12805337e-14 -3.71924713e-14 4.36872760e-14] [-1.00728020e-13 -1.06564101e-14 -3.32380876e-14] [-1.66458819e-03 2.26612748e-03 2.26930115e-03] [ 1.66458819e-03 -2.26612748e-03 2.26930115e-03] [-1.66458819e-03 2.26612748e-03 -2.26930115e-03] [ 1.66458819e-03 -2.26612748e-03 -2.26930115e-03] [-2.42384142e-04 -1.81499323e-03 2.05233404e-04] [-2.42384142e-04 -1.81499323e-03 -2.05233405e-04] [ 2.42384142e-04 1.81499323e-03 2.05233405e-04] [ 2.42384142e-04 1.81499323e-03 -2.05233405e-04] [-3.43852109e-03 -3.07259467e-03 -1.44328993e-14] [-2.97703190e-03 3.50282476e-03 -6.71858402e-15] [ 2.97703190e-03 -3.50282476e-03 9.52189716e-15] [ 3.43852109e-03 3.07259467e-03 -8.06472944e-15] [-1.66458819e-03 2.26612748e-03 2.26930115e-03] [ 1.66458819e-03 -2.26612748e-03 2.26930115e-03] [-1.66458819e-03 2.26612748e-03 -2.26930115e-03] [ 1.66458819e-03 -2.26612748e-03 -2.26930115e-03] [-2.42384142e-04 -1.81499323e-03 2.05233405e-04] [-2.42384142e-04 -1.81499323e-03 -2.05233405e-04] [ 2.42384142e-04 1.81499323e-03 2.05233405e-04] [ 2.42384142e-04 1.81499323e-03 -2.05233405e-04] [-3.43852109e-03 -3.07259467e-03 9.08406416e-14] [-2.97703190e-03 3.50282476e-03 6.52613949e-14] [ 2.97703190e-03 -3.50282476e-03 2.52941046e-14] [ 3.43852109e-03 3.07259467e-03 2.13709259e-14]] Final stress: [-2.90646524e-05 3.58032984e-04 3.57187242e-04 -5.81331829e-17 8.30474041e-18 -4.30827000e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.85872475e-03 -9.41679761e-04 2.48065457e-15] [ 2.85872475e-03 9.41679761e-04 6.07847106e-15] [-1.03778893e-03 -7.13761410e-04 2.16840434e-16] [ 1.03778893e-03 7.13761410e-04 -3.05311332e-15] [-1.59334351e-15 -3.95733793e-15 -7.33130484e-04] [-4.38538095e-15 1.60982339e-15 7.33130484e-04] [-2.85872475e-03 -9.41679761e-04 5.98835556e-15] [ 2.85872475e-03 9.41679761e-04 -1.13825854e-15] [-1.03778893e-03 -7.13761410e-04 -5.55098016e-15] [ 1.03778893e-03 7.13761410e-04 -2.61862276e-15] [-4.47862233e-15 -4.83774397e-16 -7.33130484e-04] [-6.77886566e-15 1.54090074e-15 7.33130484e-04] [ 1.51689108e-03 -3.34956297e-04 6.09972861e-04] [-1.51689108e-03 3.34956297e-04 6.09972861e-04] [-6.09935040e-04 -1.19825223e-03 2.17008634e-03] [ 6.09935040e-04 1.19825223e-03 2.17008634e-03] [ 1.51689108e-03 -3.34956297e-04 -6.09972861e-04] [-1.51689108e-03 3.34956297e-04 -6.09972861e-04] [ 6.09935040e-04 1.19825223e-03 -2.17008634e-03] [-6.09935040e-04 -1.19825223e-03 -2.17008634e-03] [ 1.51689108e-03 -3.34956297e-04 6.09972861e-04] [-1.51689108e-03 3.34956297e-04 6.09972861e-04] [-6.09935040e-04 -1.19825223e-03 2.17008634e-03] [ 6.09935040e-04 1.19825223e-03 2.17008634e-03] [ 1.51689108e-03 -3.34956297e-04 -6.09972861e-04] [-1.51689108e-03 3.34956297e-04 -6.09972861e-04] [ 6.09935040e-04 1.19825223e-03 -2.17008634e-03] [-6.09935040e-04 -1.19825223e-03 -2.17008634e-03] [ 3.02535774e-15 -1.41830991e-14 2.97262215e-14] [-8.76425668e-15 -1.02931800e-14 -2.34583135e-14] [ 3.12323011e-04 -1.42744561e-03 -1.41921404e-03] [-3.12323011e-04 1.42744561e-03 -1.41921404e-03] [ 3.12323011e-04 -1.42744561e-03 1.41921404e-03] [-3.12323011e-04 1.42744561e-03 1.41921404e-03] [ 4.98128026e-04 2.27498332e-04 1.70215445e-04] [ 4.98128026e-04 2.27498332e-04 -1.70215445e-04] [-4.98128026e-04 -2.27498332e-04 1.70215445e-04] [-4.98128026e-04 -2.27498332e-04 -1.70215445e-04] [ 2.41134771e-03 2.04427662e-03 -2.45359288e-14] [ 1.39314770e-03 -1.69923282e-03 -3.75151299e-14] [-1.39314770e-03 1.69923282e-03 -7.83574594e-15] [-2.41134771e-03 -2.04427662e-03 -2.75751644e-14] [ 3.12323011e-04 -1.42744561e-03 -1.41921404e-03] [-3.12323011e-04 1.42744561e-03 -1.41921404e-03] [ 3.12323011e-04 -1.42744561e-03 1.41921404e-03] [-3.12323011e-04 1.42744561e-03 1.41921404e-03] [ 4.98128026e-04 2.27498332e-04 1.70215445e-04] [ 4.98128026e-04 2.27498332e-04 -1.70215445e-04] [-4.98128026e-04 -2.27498332e-04 1.70215445e-04] [-4.98128026e-04 -2.27498332e-04 -1.70215445e-04] [ 2.41134771e-03 2.04427662e-03 2.93367761e-14] [ 1.39314770e-03 -1.69923282e-03 4.49787810e-14] [-1.39314770e-03 1.69923282e-03 3.38694662e-14] [-2.41134771e-03 -2.04427662e-03 2.40419663e-14]] Final stress: [-2.56112151e-05 -3.52350380e-04 -3.52725273e-04 -2.16335485e-17 1.33129529e-17 4.34869978e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.86091211e-03 9.31232238e-04 5.14735823e-15] [ 2.86091211e-03 -9.31232238e-04 2.77555756e-16] [ 1.02741809e-03 -7.27757522e-04 5.41667405e-16] [-1.02741809e-03 7.27757522e-04 4.52415883e-15] [-6.02729672e-15 -6.93455710e-16 -7.46903572e-04] [ 7.21644966e-16 -4.99600361e-15 7.46903572e-04] [-2.86091211e-03 9.31232238e-04 -1.44059767e-15] [ 2.86091211e-03 -9.31232238e-04 2.46522231e-15] [ 1.02741809e-03 -7.27757522e-04 1.75090469e-15] [-1.02741809e-03 7.27757522e-04 -1.92044610e-15] [ 1.81235235e-15 -1.82101030e-15 -7.46903572e-04] [-5.44920012e-15 4.95906408e-15 7.46903572e-04] [ 6.11287714e-04 -1.19740066e-03 -2.17733255e-03] [-6.11287714e-04 1.19740066e-03 -2.17733255e-03] [-1.51937907e-03 -3.33040669e-04 -6.20176949e-04] [ 1.51937907e-03 3.33040669e-04 -6.20176949e-04] [ 6.11287714e-04 -1.19740066e-03 2.17733255e-03] [-6.11287714e-04 1.19740066e-03 2.17733255e-03] [ 1.51937907e-03 3.33040669e-04 6.20176949e-04] [-1.51937907e-03 -3.33040669e-04 6.20176949e-04] [ 6.11287714e-04 -1.19740066e-03 -2.17733255e-03] [-6.11287714e-04 1.19740066e-03 -2.17733255e-03] [-1.51937907e-03 -3.33040669e-04 -6.20176949e-04] [ 1.51937907e-03 3.33040669e-04 -6.20176949e-04] [ 6.11287714e-04 -1.19740066e-03 2.17733255e-03] [-6.11287714e-04 1.19740066e-03 2.17733255e-03] [ 1.51937907e-03 3.33040669e-04 6.20176949e-04] [-1.51937907e-03 -3.33040669e-04 6.20176949e-04] [ 4.96824804e-15 -8.77076189e-15 2.16493490e-14] [-2.96134645e-14 -3.01628716e-14 -5.75978753e-15] [-3.03397360e-04 -1.42729827e-03 -1.41920762e-03] [ 3.03397360e-04 1.42729827e-03 -1.41920762e-03] [-3.03397360e-04 -1.42729827e-03 1.41920762e-03] [ 3.03397360e-04 1.42729827e-03 1.41920762e-03] [ 5.33321370e-04 -2.18313884e-04 1.42869455e-04] [ 5.33321370e-04 -2.18313884e-04 -1.42869455e-04] [-5.33321370e-04 2.18313884e-04 1.42869455e-04] [-5.33321370e-04 2.18313884e-04 -1.42869455e-04] [-1.36165372e-03 -1.72949725e-03 -1.44328993e-15] [-2.45014851e-03 2.02004426e-03 1.54719987e-14] [ 2.45014851e-03 -2.02004426e-03 -1.50331136e-14] [ 1.36165372e-03 1.72949725e-03 -5.61703462e-15] [-3.03397360e-04 -1.42729827e-03 -1.41920762e-03] [ 3.03397360e-04 1.42729827e-03 -1.41920762e-03] [-3.03397360e-04 -1.42729827e-03 1.41920762e-03] [ 3.03397360e-04 1.42729827e-03 1.41920762e-03] [ 5.33321370e-04 -2.18313884e-04 1.42869455e-04] [ 5.33321370e-04 -2.18313884e-04 -1.42869455e-04] [-5.33321370e-04 2.18313884e-04 1.42869455e-04] [-5.33321370e-04 2.18313884e-04 -1.42869455e-04] [-1.36165372e-03 -1.72949725e-03 8.63880770e-15] [-2.45014851e-03 2.02004426e-03 -4.46858669e-15] [ 2.45014851e-03 -2.02004426e-03 2.76638792e-14] [ 1.36165372e-03 1.72949725e-03 8.10289336e-15]] Final stress: [-2.57919206e-05 -3.52351488e-04 -3.52726466e-04 6.65647647e-18 1.16488338e-17 -4.34969205e-04] Minimization converged after 26 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.55019702e-03 1.07149099e-13 2.59388865e-14] [-2.55019702e-03 1.14408483e-13 -1.13520304e-14] [ 4.18155094e-14 1.06515748e-02 -2.29269728e-14] [-4.45476989e-14 -1.06515748e-02 -6.74460487e-15] [ 1.31535408e-14 6.67087913e-15 1.06515748e-02] [ 1.23789867e-14 -6.42264020e-14 -1.06515748e-02] [ 2.55019702e-03 4.84881232e-14 5.92965807e-14] [-2.55019702e-03 8.92693038e-14 -6.62744050e-16] [-4.31555833e-15 1.06515748e-02 2.79080120e-14] [-7.09588638e-15 -1.06515748e-02 -5.16033266e-14] [-6.88195161e-14 5.68371500e-14 1.06515748e-02] [ 2.18141477e-15 1.30200227e-13 -1.06515748e-02] [ 4.20921379e-03 2.62361879e-05 2.62361880e-05] [-4.20921379e-03 -2.62361880e-05 2.62361879e-05] [-4.20921379e-03 2.62361877e-05 -2.62361880e-05] [ 4.20921379e-03 -2.62361879e-05 -2.62361880e-05] [ 4.20921379e-03 2.62361879e-05 -2.62361879e-05] [-4.20921379e-03 -2.62361878e-05 -2.62361879e-05] [ 4.20921379e-03 -2.62361880e-05 2.62361878e-05] [-4.20921379e-03 2.62361879e-05 2.62361879e-05] [ 4.20921379e-03 2.62361878e-05 2.62361877e-05] [-4.20921379e-03 -2.62361879e-05 2.62361879e-05] [-4.20921379e-03 2.62361879e-05 -2.62361880e-05] [ 4.20921379e-03 -2.62361879e-05 -2.62361879e-05] [ 4.20921379e-03 2.62361879e-05 -2.62361879e-05] [-4.20921379e-03 -2.62361881e-05 -2.62361881e-05] [ 4.20921379e-03 -2.62361878e-05 2.62361878e-05] [-4.20921379e-03 2.62361879e-05 2.62361878e-05] [ 3.93463040e-13 -1.20486954e-13 4.00041111e-13] [ 7.09601648e-14 -6.58205619e-14 -9.54215010e-14] [-4.21329638e-13 -1.80884649e-03 -1.80884649e-03] [-8.97285718e-14 1.80884649e-03 -1.80884649e-03] [ 1.14127457e-13 -1.80884649e-03 1.80884649e-03] [-9.93337357e-14 1.80884649e-03 1.80884649e-03] [ 3.23600498e-03 -2.09721129e-13 -1.62591167e-03] [ 3.23600498e-03 -6.77721768e-14 1.62591167e-03] [-3.23600498e-03 -2.38496722e-13 -1.62591167e-03] [-3.23600498e-03 -3.09925696e-14 1.62591167e-03] [ 3.23600498e-03 -1.62591167e-03 1.60205182e-13] [-3.23600498e-03 -1.62591167e-03 -5.62397351e-15] [ 3.23600498e-03 1.62591167e-03 4.31460423e-14] [-3.23600498e-03 1.62591167e-03 -2.62817546e-13] [ 9.37310125e-14 -1.80884649e-03 -1.80884649e-03] [ 3.17489091e-13 1.80884649e-03 -1.80884649e-03] [ 2.03332576e-13 -1.80884649e-03 1.80884649e-03] [ 3.47785169e-13 1.80884649e-03 1.80884649e-03] [ 3.23600498e-03 2.96763277e-13 -1.62591167e-03] [ 3.23600498e-03 4.27164814e-14 1.62591167e-03] [-3.23600498e-03 5.34728511e-16 -1.62591167e-03] [-3.23600498e-03 2.56779407e-13 1.62591167e-03] [ 3.23600498e-03 -1.62591167e-03 2.78147123e-13] [-3.23600498e-03 -1.62591167e-03 2.61539583e-13] [ 3.23600498e-03 1.62591167e-03 2.35108299e-13] [-3.23600498e-03 1.62591167e-03 3.19680046e-13]] Final stress: [ 8.62154131e-04 3.01528169e-04 3.01528169e-04 3.98247379e-17 -2.65498253e-17 -7.79901118e-17] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.33754486e-04 9.85704574e-14 -4.58270574e-15] [-4.33754486e-04 2.93653990e-14 -1.26898492e-13] [-3.30811767e-14 -1.37812972e-02 2.11054264e-13] [ 2.43693954e-14 1.37812972e-02 7.41628980e-14] [ 3.97446832e-14 8.81534429e-14 -1.37812972e-02] [-1.90403249e-14 6.53921362e-14 1.37812972e-02] [ 4.33754486e-04 6.62451864e-14 -8.64253501e-14] [-4.33754486e-04 6.25680063e-14 -3.30498737e-14] [ 1.10445507e-13 -1.37812972e-02 1.50721352e-13] [ 1.10038714e-13 1.37812972e-02 1.80297953e-14] [-6.70618075e-14 8.49612153e-14 -1.37812972e-02] [-4.51474795e-14 1.70431743e-13 1.37812972e-02] [-7.12210891e-03 -9.31515712e-04 -9.31515712e-04] [ 7.12210891e-03 9.31515712e-04 -9.31515712e-04] [ 7.12210891e-03 -9.31515712e-04 9.31515712e-04] [-7.12210891e-03 9.31515712e-04 9.31515712e-04] [-7.12210891e-03 -9.31515712e-04 9.31515712e-04] [ 7.12210891e-03 9.31515712e-04 9.31515712e-04] [-7.12210891e-03 9.31515712e-04 -9.31515712e-04] [ 7.12210891e-03 -9.31515712e-04 -9.31515712e-04] [-7.12210891e-03 -9.31515712e-04 -9.31515712e-04] [ 7.12210891e-03 9.31515712e-04 -9.31515712e-04] [ 7.12210891e-03 -9.31515712e-04 9.31515712e-04] [-7.12210891e-03 9.31515712e-04 9.31515712e-04] [-7.12210891e-03 -9.31515712e-04 9.31515712e-04] [ 7.12210891e-03 9.31515712e-04 9.31515712e-04] [-7.12210891e-03 9.31515712e-04 -9.31515713e-04] [ 7.12210891e-03 -9.31515712e-04 -9.31515712e-04] [ 4.82891505e-13 -7.46069873e-14 5.52669022e-13] [-5.25833717e-13 -2.93806515e-13 2.18720809e-13] [ 9.22595333e-14 2.82084457e-03 2.82084457e-03] [-2.42948023e-14 -2.82084457e-03 2.82084457e-03] [ 3.04516828e-13 2.82084457e-03 -2.82084457e-03] [-1.62647673e-14 -2.82084457e-03 -2.82084457e-03] [-2.40281124e-03 -4.53748150e-13 -4.00111081e-03] [-2.40281124e-03 -9.23861682e-14 4.00111081e-03] [ 2.40281124e-03 -1.00182015e-13 -4.00111081e-03] [ 2.40281124e-03 -9.88792381e-15 4.00111081e-03] [-2.40281124e-03 -4.00111081e-03 6.36157793e-14] [ 2.40281124e-03 -4.00111081e-03 1.07733267e-13] [-2.40281124e-03 4.00111081e-03 3.63632735e-14] [ 2.40281124e-03 4.00111081e-03 2.80678258e-15] [-5.19358861e-14 2.82084457e-03 2.82084457e-03] [ 1.59521268e-13 -2.82084457e-03 2.82084457e-03] [ 1.63128625e-13 2.82084457e-03 -2.82084457e-03] [ 4.48728294e-13 -2.82084457e-03 -2.82084457e-03] [-2.40281124e-03 -2.46100244e-13 -4.00111081e-03] [-2.40281124e-03 -9.07728753e-14 4.00111081e-03] [ 2.40281124e-03 -5.89654194e-13 -4.00111081e-03] [ 2.40281124e-03 -3.68354652e-13 4.00111081e-03] [-2.40281124e-03 -4.00111081e-03 2.64316460e-13] [ 2.40281124e-03 -4.00111081e-03 1.67607627e-13] [-2.40281124e-03 4.00111081e-03 1.57291579e-14] [ 2.40281124e-03 4.00111081e-03 3.68290468e-13]] Final stress: [-8.90759344e-04 -1.90729082e-04 -1.90729082e-04 1.44916434e-16 7.82881887e-17 1.08270899e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.64794077e-04 6.03510297e-15 3.03047518e-14] [-6.64794077e-04 -1.47104551e-15 1.22124533e-15] [-1.07205911e-14 4.55729820e-03 -1.11164998e-03] [-1.29618538e-14 -4.55729820e-03 1.11164998e-03] [ 4.92097682e-15 -9.24055638e-04 7.67238595e-04] [-1.95954364e-14 9.24055638e-04 -7.67238595e-04] [ 6.64794077e-04 1.73342243e-15 -5.44120836e-16] [-6.64794077e-04 5.43488865e-15 -9.91252377e-15] [ 1.13507294e-14 4.55729820e-03 -1.11164998e-03] [-2.04181290e-14 -4.55729820e-03 1.11164998e-03] [-5.02722863e-15 -9.24055638e-04 7.67238595e-04] [ 6.94149599e-15 9.24055638e-04 -7.67238595e-04] [ 3.83279115e-03 -8.18991747e-04 1.66388734e-03] [ 1.27043156e-03 1.42205959e-03 9.91212614e-04] [ 1.27043156e-03 -1.42205959e-03 -9.91212614e-04] [ 3.83279115e-03 8.18991747e-04 -1.66388734e-03] [-1.27043156e-03 -1.42205959e-03 -9.91212614e-04] [-3.83279115e-03 8.18991747e-04 -1.66388734e-03] [-1.27043156e-03 1.42205959e-03 9.91212614e-04] [-3.83279115e-03 -8.18991747e-04 1.66388734e-03] [ 3.83279115e-03 -8.18991747e-04 1.66388734e-03] [ 1.27043156e-03 1.42205959e-03 9.91212614e-04] [ 1.27043156e-03 -1.42205959e-03 -9.91212614e-04] [ 3.83279115e-03 8.18991747e-04 -1.66388734e-03] [-1.27043156e-03 -1.42205959e-03 -9.91212614e-04] [-3.83279115e-03 8.18991747e-04 -1.66388734e-03] [-1.27043156e-03 1.42205959e-03 9.91212614e-04] [-3.83279115e-03 -8.18991747e-04 1.66388734e-03] [ 7.42184092e-14 -3.21964677e-15 3.61100039e-14] [-6.76854406e-14 -5.12956653e-14 -2.18180333e-14] [ 1.08801856e-14 2.97703190e-03 3.50282476e-03] [-3.07583820e-14 3.43852109e-03 -3.07259466e-03] [-1.86448079e-14 -3.43852109e-03 3.07259466e-03] [-3.35564909e-14 -2.97703190e-03 -3.50282476e-03] [ 2.26930115e-03 1.66458819e-03 2.26612748e-03] [ 2.26930115e-03 -1.66458819e-03 -2.26612748e-03] [-2.26930115e-03 1.66458819e-03 2.26612748e-03] [-2.26930115e-03 -1.66458819e-03 -2.26612748e-03] [ 2.05233404e-04 -2.42384142e-04 1.81499323e-03] [-2.05233404e-04 -2.42384142e-04 1.81499323e-03] [ 2.05233404e-04 2.42384142e-04 -1.81499323e-03] [-2.05233404e-04 2.42384142e-04 -1.81499323e-03] [-6.94331745e-14 2.97703190e-03 3.50282476e-03] [ 6.25237709e-15 3.43852109e-03 -3.07259466e-03] [-3.91253870e-14 -3.43852109e-03 3.07259466e-03] [-4.57359844e-15 -2.97703190e-03 -3.50282476e-03] [ 2.26930115e-03 1.66458819e-03 2.26612748e-03] [ 2.26930115e-03 -1.66458819e-03 -2.26612748e-03] [-2.26930115e-03 1.66458819e-03 2.26612748e-03] [-2.26930115e-03 -1.66458819e-03 -2.26612748e-03] [ 2.05233404e-04 -2.42384142e-04 1.81499323e-03] [-2.05233404e-04 -2.42384142e-04 1.81499323e-03] [ 2.05233404e-04 2.42384142e-04 -1.81499323e-03] [-2.05233404e-04 2.42384142e-04 -1.81499323e-03]] Final stress: [ 3.57187242e-04 -2.90646523e-05 3.58032984e-04 4.30827000e-04 6.47769752e-17 3.98627540e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.64794077e-04 -1.02821397e-14 -1.14283583e-14] [-6.64794077e-04 -1.05471187e-14 -3.66373598e-15] [ 1.18863253e-14 4.55729820e-03 1.11164998e-03] [ 2.52298182e-14 -4.55729820e-03 -1.11164998e-03] [ 1.37667655e-14 9.24055638e-04 7.67238594e-04] [ 1.11854970e-14 -9.24055638e-04 -7.67238594e-04] [ 6.64794077e-04 1.90810909e-14 -1.80785207e-15] [-6.64794077e-04 1.33573708e-16 -1.00695641e-14] [-1.39857743e-14 4.55729820e-03 1.11164998e-03] [ 1.80467620e-14 -4.55729820e-03 -1.11164998e-03] [-1.36414317e-14 9.24055638e-04 7.67238594e-04] [ 5.76145034e-15 -9.24055638e-04 -7.67238594e-04] [-1.27043156e-03 -1.42205959e-03 9.91212613e-04] [-3.83279114e-03 8.18991746e-04 1.66388734e-03] [-3.83279114e-03 -8.18991746e-04 -1.66388734e-03] [-1.27043156e-03 1.42205959e-03 -9.91212613e-04] [ 3.83279114e-03 -8.18991746e-04 -1.66388734e-03] [ 1.27043156e-03 1.42205959e-03 -9.91212613e-04] [ 3.83279114e-03 8.18991746e-04 1.66388734e-03] [ 1.27043156e-03 -1.42205959e-03 9.91212613e-04] [-1.27043156e-03 -1.42205959e-03 9.91212613e-04] [-3.83279114e-03 8.18991746e-04 1.66388734e-03] [-3.83279114e-03 -8.18991746e-04 -1.66388734e-03] [-1.27043156e-03 1.42205959e-03 -9.91212613e-04] [ 3.83279114e-03 -8.18991746e-04 -1.66388734e-03] [ 1.27043156e-03 1.42205959e-03 -9.91212613e-04] [ 3.83279114e-03 8.18991746e-04 1.66388734e-03] [ 1.27043156e-03 -1.42205959e-03 9.91212613e-04] [ 4.58244553e-14 -1.01557651e-13 3.71092046e-14] [-3.06534312e-14 -1.85289337e-14 -1.40314275e-14] [-8.77076189e-15 -3.43852109e-03 -3.07259466e-03] [ 2.52645127e-14 -2.97703190e-03 3.50282475e-03] [ 6.32827124e-15 2.97703190e-03 -3.50282475e-03] [-7.18002047e-15 3.43852109e-03 3.07259466e-03] [ 2.26930114e-03 -1.66458819e-03 2.26612748e-03] [ 2.26930114e-03 1.66458819e-03 -2.26612748e-03] [-2.26930114e-03 -1.66458819e-03 2.26612748e-03] [-2.26930114e-03 1.66458819e-03 -2.26612748e-03] [ 2.05233402e-04 -2.42384142e-04 -1.81499322e-03] [-2.05233402e-04 -2.42384142e-04 -1.81499322e-03] [ 2.05233402e-04 2.42384142e-04 1.81499322e-03] [-2.05233402e-04 2.42384142e-04 1.81499322e-03] [-9.02012839e-15 -3.43852109e-03 -3.07259466e-03] [-6.42628312e-15 -2.97703190e-03 3.50282475e-03] [ 2.23215543e-14 2.97703190e-03 -3.50282475e-03] [-5.06825484e-14 3.43852109e-03 3.07259466e-03] [ 2.26930114e-03 -1.66458819e-03 2.26612748e-03] [ 2.26930114e-03 1.66458819e-03 -2.26612748e-03] [-2.26930114e-03 -1.66458819e-03 2.26612748e-03] [-2.26930114e-03 1.66458819e-03 -2.26612748e-03] [ 2.05233402e-04 -2.42384142e-04 -1.81499322e-03] [-2.05233402e-04 -2.42384142e-04 -1.81499322e-03] [ 2.05233402e-04 2.42384142e-04 1.81499322e-03] [-2.05233402e-04 2.42384142e-04 1.81499322e-03]] Final stress: [ 3.57187242e-04 -2.90646522e-05 3.58032984e-04 -4.30827000e-04 -1.82704289e-17 -2.15923251e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.27745358e-04 1.61155811e-15 4.09698317e-15] [ 7.27745358e-04 3.52495810e-15 -5.27355937e-16] [-2.42470974e-15 -2.86052321e-03 -9.34085718e-04] [ 3.77475828e-15 2.86052321e-03 9.34085718e-04] [-5.85425805e-15 -1.03010828e-03 -7.08194812e-04] [ 3.80251386e-15 1.03010828e-03 7.08194812e-04] [-7.27745358e-04 2.30501382e-15 6.07470007e-16] [ 7.27745358e-04 -1.99232991e-15 3.59984937e-15] [ 2.66323422e-15 -2.86052321e-03 -9.34085718e-04] [-1.43114687e-16 2.86052321e-03 9.34085718e-04] [-6.68735900e-16 -1.03010828e-03 -7.08194812e-04] [-6.99353769e-15 1.03010828e-03 7.08194812e-04] [ 6.13047330e-04 1.51383658e-03 -3.38594212e-04] [ 2.17378004e-03 -6.13617140e-04 -1.19504215e-03] [ 2.17378004e-03 6.13617140e-04 1.19504215e-03] [ 6.13047330e-04 -1.51383658e-03 3.38594212e-04] [-2.17378004e-03 6.13617140e-04 1.19504215e-03] [-6.13047330e-04 -1.51383658e-03 3.38594212e-04] [-2.17378004e-03 -6.13617140e-04 -1.19504215e-03] [-6.13047330e-04 1.51383658e-03 -3.38594212e-04] [ 6.13047330e-04 1.51383658e-03 -3.38594212e-04] [ 2.17378004e-03 -6.13617140e-04 -1.19504215e-03] [ 2.17378004e-03 6.13617140e-04 1.19504215e-03] [ 6.13047330e-04 -1.51383658e-03 3.38594212e-04] [-2.17378004e-03 6.13617140e-04 1.19504215e-03] [-6.13047330e-04 -1.51383658e-03 3.38594212e-04] [-2.17378004e-03 -6.13617140e-04 -1.19504215e-03] [-6.13047330e-04 1.51383658e-03 -3.38594212e-04] [ 2.49800181e-16 -2.32591724e-14 -6.46704912e-15] [ 7.91857899e-15 -2.02735765e-14 2.71635497e-14] [ 6.32827124e-15 2.36616712e-03 2.08078366e-03] [-6.24500451e-16 1.43086776e-03 -1.65676652e-03] [-9.13505382e-15 -1.43086776e-03 1.65676652e-03] [-1.03736464e-14 -2.36616712e-03 -2.08078366e-03] [-1.41530108e-03 3.17896383e-04 -1.42374372e-03] [-1.41530108e-03 -3.17896383e-04 1.42374372e-03] [ 1.41530108e-03 3.17896383e-04 -1.42374372e-03] [ 1.41530108e-03 -3.17896383e-04 1.42374372e-03] [ 2.09838730e-04 4.56602401e-04 2.33459930e-04] [-2.09838730e-04 4.56602401e-04 2.33459930e-04] [ 2.09838730e-04 -4.56602401e-04 -2.33459930e-04] [-2.09838730e-04 -4.56602401e-04 -2.33459930e-04] [-1.63150743e-14 2.36616712e-03 2.08078366e-03] [-1.60722130e-15 1.43086776e-03 -1.65676652e-03] [ 3.20707003e-15 -1.43086776e-03 1.65676652e-03] [ 2.15110048e-14 -2.36616712e-03 -2.08078366e-03] [-1.41530108e-03 3.17896383e-04 -1.42374372e-03] [-1.41530108e-03 -3.17896383e-04 1.42374372e-03] [ 1.41530108e-03 3.17896383e-04 -1.42374372e-03] [ 1.41530108e-03 -3.17896383e-04 1.42374372e-03] [ 2.09838730e-04 4.56602401e-04 2.33459930e-04] [-2.09838730e-04 4.56602401e-04 2.33459930e-04] [ 2.09838730e-04 -4.56602401e-04 -2.33459930e-04] [-2.09838730e-04 -4.56602401e-04 -2.33459930e-04]] Final stress: [-3.52802213e-04 -2.55099228e-05 -3.52427615e-04 4.34956513e-04 1.33129529e-17 -1.66411912e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.43126174e-04 6.55205057e-15 8.24861013e-16] [ 7.43126174e-04 -1.74860126e-15 4.63518113e-15] [-2.47588408e-15 -2.86746407e-03 8.98028696e-04] [ 8.54871729e-15 2.86746407e-03 -8.98028696e-04] [ 2.49713444e-15 9.94014399e-04 -7.23630994e-04] [ 4.05231404e-15 -9.94014399e-04 7.23630994e-04] [-7.43126174e-04 2.55915081e-15 -1.46120807e-15] [ 7.43126174e-04 6.27709690e-15 -2.31214202e-15] [-2.28116137e-15 -2.86746407e-03 8.98028696e-04] [-2.85708956e-15 2.86746407e-03 -8.98028696e-04] [-5.61746830e-15 9.94014399e-04 -7.23630994e-04] [-5.80134898e-15 -9.94014399e-04 7.23630994e-04] [-2.19492168e-03 6.23724256e-04 -1.18648542e-03] [-6.38913481e-04 -1.51193348e-03 -3.42399216e-04] [-6.38913481e-04 1.51193348e-03 3.42399216e-04] [-2.19492168e-03 -6.23724256e-04 1.18648542e-03] [ 6.38913481e-04 1.51193348e-03 3.42399216e-04] [ 2.19492168e-03 -6.23724256e-04 1.18648542e-03] [ 6.38913481e-04 -1.51193348e-03 -3.42399216e-04] [ 2.19492168e-03 6.23724256e-04 -1.18648542e-03] [-2.19492168e-03 6.23724256e-04 -1.18648542e-03] [-6.38913481e-04 -1.51193348e-03 -3.42399216e-04] [-6.38913481e-04 1.51193348e-03 3.42399216e-04] [-2.19492168e-03 -6.23724256e-04 1.18648542e-03] [ 6.38913481e-04 1.51193348e-03 3.42399216e-04] [ 2.19492168e-03 -6.23724256e-04 1.18648542e-03] [ 6.38913481e-04 -1.51193348e-03 -3.42399216e-04] [ 2.19492168e-03 6.23724256e-04 -1.18648542e-03] [ 4.38538095e-15 -2.93931546e-14 3.84969834e-14] [-1.71273586e-14 6.73232504e-15 -1.58575333e-14] [ 1.68753900e-14 -1.44099321e-03 -1.63328890e-03] [-1.06477327e-14 -2.35404037e-03 2.10259960e-03] [ 3.16309479e-14 2.35404037e-03 -2.10259960e-03] [-8.59208538e-15 1.44099321e-03 1.63328890e-03] [-1.40748617e-03 -3.12130805e-04 -1.41606097e-03] [-1.40748617e-03 3.12130805e-04 1.41606097e-03] [ 1.40748617e-03 -3.12130805e-04 -1.41606097e-03] [ 1.40748617e-03 3.12130805e-04 1.41606097e-03] [ 2.32563571e-04 4.45425573e-04 -2.27924068e-04] [-2.32563571e-04 4.45425573e-04 -2.27924068e-04] [ 2.32563571e-04 -4.45425573e-04 2.27924068e-04] [-2.32563571e-04 -4.45425573e-04 2.27924068e-04] [-1.35399504e-14 -1.44099321e-03 -1.63328890e-03] [ 2.62303200e-14 -2.35404037e-03 2.10259960e-03] [ 1.35438535e-15 2.35404037e-03 -2.10259960e-03] [ 1.03480592e-14 1.44099321e-03 1.63328890e-03] [-1.40748617e-03 -3.12130805e-04 -1.41606097e-03] [-1.40748617e-03 3.12130805e-04 1.41606097e-03] [ 1.40748617e-03 -3.12130805e-04 -1.41606097e-03] [ 1.40748617e-03 3.12130805e-04 1.41606097e-03] [ 2.32563571e-04 4.45425573e-04 -2.27924068e-04] [-2.32563571e-04 4.45425573e-04 -2.27924068e-04] [ 2.32563571e-04 -4.45425573e-04 2.27924068e-04] [-2.32563571e-04 -4.45425573e-04 2.27924068e-04]] Final stress: [-3.52948474e-04 -2.56841409e-05 -3.52574451e-04 -4.35328719e-04 -4.99235735e-18 4.99235735e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.86768296e-04 1.32372412e-14 -1.14665556e-03] [-8.86768296e-04 -6.02295991e-15 1.14665556e-03] [ 2.17503966e-14 5.59260314e-03 2.49886917e-15] [ 2.10387263e-14 -5.59260314e-03 9.29811783e-15] [-1.14665556e-03 -1.33929326e-14 8.86768296e-04] [ 1.14665556e-03 -3.53883589e-14 -8.86768296e-04] [ 8.86768296e-04 -1.52265353e-15 -1.14665556e-03] [-8.86768296e-04 1.18650749e-14 1.14665556e-03] [-1.42312377e-14 5.59260314e-03 1.10938090e-14] [-2.36039487e-14 -5.59260314e-03 -4.59735602e-15] [-1.14665556e-03 8.65296403e-15 8.86768296e-04] [ 1.14665556e-03 4.57986005e-15 -8.86768296e-04] [ 1.98252627e-03 2.14671836e-03 1.98252627e-03] [-1.39327583e-03 4.67376454e-03 1.39327583e-03] [-1.98252627e-03 2.14671836e-03 -1.98252627e-03] [ 1.39327583e-03 4.67376454e-03 -1.39327583e-03] [ 1.39327583e-03 -4.67376454e-03 -1.39327583e-03] [-1.98252627e-03 -2.14671836e-03 -1.98252627e-03] [ 1.98252627e-03 -2.14671836e-03 1.98252627e-03] [-1.39327583e-03 -4.67376454e-03 1.39327583e-03] [ 1.98252627e-03 2.14671836e-03 1.98252627e-03] [-1.39327583e-03 4.67376454e-03 1.39327583e-03] [-1.98252627e-03 2.14671836e-03 -1.98252627e-03] [ 1.39327583e-03 4.67376454e-03 -1.39327583e-03] [ 1.39327583e-03 -4.67376454e-03 -1.39327583e-03] [-1.98252627e-03 -2.14671836e-03 -1.98252627e-03] [ 1.98252627e-03 -2.14671836e-03 1.98252627e-03] [-1.39327583e-03 -4.67376454e-03 1.39327583e-03] [ 1.22069022e-13 -5.90638649e-14 1.46549439e-14] [-9.26619892e-14 -2.66732737e-14 -2.48847260e-14] [ 2.63881480e-03 -2.32325440e-04 6.02312966e-04] [ 2.63881480e-03 2.32325439e-04 6.02312966e-04] [-2.63881480e-03 -2.32325439e-04 -6.02312966e-04] [-2.63881480e-03 2.32325440e-04 -6.02312966e-04] [ 6.98726424e-03 -1.49102952e-13 6.98726424e-03] [-1.24474768e-03 -3.29423988e-14 1.24474768e-03] [ 1.24474768e-03 -1.13038051e-13 -1.24474768e-03] [-6.98726424e-03 -2.41126563e-15 -6.98726424e-03] [ 6.02312966e-04 -2.32325440e-04 2.63881480e-03] [-6.02312966e-04 -2.32325440e-04 -2.63881480e-03] [ 6.02312966e-04 2.32325440e-04 2.63881480e-03] [-6.02312966e-04 2.32325440e-04 -2.63881480e-03] [ 2.63881480e-03 -2.32325440e-04 6.02312966e-04] [ 2.63881480e-03 2.32325440e-04 6.02312966e-04] [-2.63881480e-03 -2.32325440e-04 -6.02312966e-04] [-2.63881480e-03 2.32325440e-04 -6.02312966e-04] [ 6.98726424e-03 -5.25320421e-14 6.98726424e-03] [-1.24474768e-03 -9.54856853e-15 1.24474768e-03] [ 1.24474768e-03 -6.59177574e-14 -1.24474768e-03] [-6.98726424e-03 -1.60206050e-14 -6.98726424e-03] [ 6.02312966e-04 -2.32325439e-04 2.63881480e-03] [-6.02312966e-04 -2.32325439e-04 -2.63881480e-03] [ 6.02312966e-04 2.32325440e-04 2.63881480e-03] [-6.02312966e-04 2.32325440e-04 -2.63881480e-03]] Final stress: [ 3.63192683e-04 -6.92804370e-05 3.63192683e-04 3.98627540e-17 4.30423587e-04 3.65408578e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.86768296e-04 1.73602452e-15 1.14665556e-03] [-8.86768297e-04 -1.85684801e-14 -1.14665556e-03] [ 3.86366286e-15 5.59260314e-03 4.67573029e-14] [ 1.48769885e-14 -5.59260314e-03 1.29896094e-14] [ 1.14665556e-03 -9.16107468e-15 8.86768296e-04] [-1.14665556e-03 3.36120021e-14 -8.86768297e-04] [ 8.86768297e-04 -2.95891783e-14 1.14665556e-03] [-8.86768297e-04 -1.54871775e-14 -1.14665556e-03] [ 1.88620820e-14 5.59260314e-03 -2.84660563e-14] [ 3.79123816e-15 -5.59260314e-03 5.39975288e-15] [ 1.14665556e-03 8.59975617e-15 8.86768297e-04] [-1.14665556e-03 1.18672264e-14 -8.86768297e-04] [ 1.39327583e-03 -4.67376454e-03 1.39327583e-03] [-1.98252627e-03 -2.14671836e-03 1.98252627e-03] [-1.39327583e-03 -4.67376454e-03 -1.39327583e-03] [ 1.98252627e-03 -2.14671836e-03 -1.98252627e-03] [ 1.98252627e-03 2.14671836e-03 -1.98252627e-03] [-1.39327583e-03 4.67376454e-03 -1.39327583e-03] [ 1.39327583e-03 4.67376454e-03 1.39327583e-03] [-1.98252627e-03 2.14671836e-03 1.98252627e-03] [ 1.39327583e-03 -4.67376454e-03 1.39327583e-03] [-1.98252627e-03 -2.14671836e-03 1.98252627e-03] [-1.39327583e-03 -4.67376454e-03 -1.39327583e-03] [ 1.98252627e-03 -2.14671836e-03 -1.98252627e-03] [ 1.98252627e-03 2.14671836e-03 -1.98252627e-03] [-1.39327583e-03 4.67376454e-03 -1.39327583e-03] [ 1.39327583e-03 4.67376454e-03 1.39327583e-03] [-1.98252627e-03 2.14671836e-03 1.98252627e-03] [ 7.63833441e-14 -1.18904886e-13 2.16215934e-13] [-1.60474932e-14 -6.17294133e-14 -3.17430171e-14] [-2.63881481e-03 -2.32325439e-04 6.02312967e-04] [-2.63881481e-03 2.32325439e-04 6.02312967e-04] [ 2.63881481e-03 -2.32325439e-04 -6.02312967e-04] [ 2.63881481e-03 2.32325440e-04 -6.02312967e-04] [-1.24474768e-03 3.58602037e-14 -1.24474768e-03] [ 6.98726424e-03 2.49470583e-14 -6.98726424e-03] [-6.98726424e-03 -2.75821033e-16 6.98726424e-03] [ 1.24474768e-03 2.41993925e-15 1.24474768e-03] [ 6.02312967e-04 -2.32325440e-04 -2.63881481e-03] [-6.02312967e-04 -2.32325440e-04 2.63881481e-03] [ 6.02312967e-04 2.32325440e-04 -2.63881481e-03] [-6.02312967e-04 2.32325440e-04 2.63881481e-03] [-2.63881481e-03 -2.32325440e-04 6.02312967e-04] [-2.63881481e-03 2.32325439e-04 6.02312967e-04] [ 2.63881481e-03 -2.32325440e-04 -6.02312967e-04] [ 2.63881481e-03 2.32325440e-04 -6.02312967e-04] [-1.24474768e-03 -6.64069469e-14 -1.24474768e-03] [ 6.98726424e-03 -4.64832166e-14 -6.98726424e-03] [-6.98726424e-03 -8.03454525e-14 6.98726424e-03] [ 1.24474768e-03 -7.46234671e-15 1.24474768e-03] [ 6.02312967e-04 -2.32325440e-04 -2.63881481e-03] [-6.02312967e-04 -2.32325439e-04 2.63881481e-03] [ 6.02312967e-04 2.32325440e-04 -2.63881481e-03] [-6.02312967e-04 2.32325439e-04 2.63881481e-03]] Final stress: [ 3.63192683e-04 -6.92804371e-05 3.63192683e-04 -8.47083523e-17 -4.30423587e-04 2.82361174e-17] Minimization converged after 27 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.67238594e-04 -9.24055638e-04 -2.13154147e-15] [-7.67238594e-04 9.24055638e-04 -1.78745907e-14] [-1.11164998e-03 4.55729820e-03 1.69794734e-14] [ 1.11164998e-03 -4.55729820e-03 4.88498131e-15] [-1.09903406e-14 1.21335234e-14 6.64794077e-04] [ 1.77635684e-14 -4.99600361e-15 -6.64794077e-04] [ 7.67238594e-04 -9.24055638e-04 -2.06122828e-14] [-7.67238594e-04 9.24055638e-04 -3.10782263e-14] [-1.11164998e-03 4.55729820e-03 -7.21194910e-15] [ 1.11164998e-03 -4.55729820e-03 -2.53014900e-14] [-5.50124182e-15 9.33483290e-15 6.64794077e-04] [-9.51625931e-15 1.25818282e-14 -6.64794077e-04] [ 1.66388734e-03 -8.18991746e-04 3.83279114e-03] [-1.66388734e-03 8.18991746e-04 3.83279114e-03] [-9.91212613e-04 -1.42205959e-03 1.27043156e-03] [ 9.91212613e-04 1.42205959e-03 1.27043156e-03] [ 1.66388734e-03 -8.18991746e-04 -3.83279114e-03] [-1.66388734e-03 8.18991746e-04 -3.83279114e-03] [ 9.91212613e-04 1.42205959e-03 -1.27043156e-03] [-9.91212613e-04 -1.42205959e-03 -1.27043156e-03] [ 1.66388734e-03 -8.18991746e-04 3.83279114e-03] [-1.66388734e-03 8.18991746e-04 3.83279114e-03] [-9.91212613e-04 -1.42205959e-03 1.27043156e-03] [ 9.91212613e-04 1.42205959e-03 1.27043156e-03] [ 1.66388734e-03 -8.18991746e-04 -3.83279114e-03] [-1.66388734e-03 8.18991746e-04 -3.83279114e-03] [ 9.91212613e-04 1.42205959e-03 -1.27043156e-03] [-9.91212613e-04 -1.42205959e-03 -1.27043156e-03] [ 1.21291865e-13 -3.58879593e-14 5.63715741e-14] [-6.66502444e-14 -1.99032757e-14 1.57036125e-14] [ 1.81499322e-03 -2.42384141e-04 2.05233402e-04] [-1.81499322e-03 2.42384141e-04 2.05233402e-04] [ 1.81499322e-03 -2.42384141e-04 -2.05233402e-04] [-1.81499322e-03 2.42384141e-04 -2.05233402e-04] [ 2.26612748e-03 1.66458819e-03 2.26930114e-03] [ 2.26612748e-03 1.66458819e-03 -2.26930114e-03] [-2.26612748e-03 -1.66458819e-03 2.26930114e-03] [-2.26612748e-03 -1.66458819e-03 -2.26930114e-03] [ 3.50282475e-03 2.97703190e-03 3.56381591e-14] [ 3.07259466e-03 -3.43852109e-03 5.69579106e-14] [-3.07259466e-03 3.43852109e-03 2.56461519e-14] [-3.50282475e-03 -2.97703190e-03 1.39784018e-14] [ 1.81499322e-03 -2.42384142e-04 2.05233402e-04] [-1.81499322e-03 2.42384142e-04 2.05233402e-04] [ 1.81499322e-03 -2.42384142e-04 -2.05233402e-04] [-1.81499322e-03 2.42384142e-04 -2.05233402e-04] [ 2.26612748e-03 1.66458819e-03 2.26930114e-03] [ 2.26612748e-03 1.66458819e-03 -2.26930114e-03] [-2.26612748e-03 -1.66458819e-03 2.26930114e-03] [-2.26612748e-03 -1.66458819e-03 -2.26930114e-03] [ 3.50282475e-03 2.97703190e-03 3.35931939e-14] [ 3.07259466e-03 -3.43852109e-03 -3.67681078e-15] [-3.07259466e-03 3.43852109e-03 6.32583179e-14] [-3.50282475e-03 -2.97703190e-03 3.16669434e-14]] Final stress: [ 3.58032984e-04 -2.90646521e-05 3.57187242e-04 1.82704289e-17 -6.64379233e-18 4.30827000e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.67238594e-04 9.24055638e-04 -3.46727855e-15] [-7.67238594e-04 -9.24055638e-04 -9.52016244e-15] [ 1.11164998e-03 4.55729820e-03 1.87215694e-14] [-1.11164998e-03 -4.55729820e-03 1.68198788e-14] [-1.13463926e-14 -1.63723202e-14 6.64794077e-04] [-2.33146835e-15 -9.57567359e-15 -6.64794077e-04] [ 7.67238594e-04 9.24055638e-04 -6.97689492e-15] [-7.67238594e-04 -9.24055638e-04 -1.28366150e-14] [ 1.11164998e-03 4.55729820e-03 1.35979803e-15] [-1.11164998e-03 -4.55729820e-03 -1.78265788e-14] [ 1.48613760e-14 -2.64503487e-15 6.64794077e-04] [ 1.01915004e-15 -7.70824038e-15 -6.64794077e-04] [ 9.91212612e-04 -1.42205959e-03 -1.27043156e-03] [-9.91212612e-04 1.42205959e-03 -1.27043156e-03] [-1.66388734e-03 -8.18991746e-04 -3.83279114e-03] [ 1.66388734e-03 8.18991746e-04 -3.83279114e-03] [ 9.91212612e-04 -1.42205959e-03 1.27043156e-03] [-9.91212612e-04 1.42205959e-03 1.27043156e-03] [ 1.66388734e-03 8.18991746e-04 3.83279114e-03] [-1.66388734e-03 -8.18991746e-04 3.83279114e-03] [ 9.91212612e-04 -1.42205959e-03 -1.27043156e-03] [-9.91212612e-04 1.42205959e-03 -1.27043156e-03] [-1.66388734e-03 -8.18991746e-04 -3.83279114e-03] [ 1.66388734e-03 8.18991746e-04 -3.83279114e-03] [ 9.91212612e-04 -1.42205959e-03 1.27043156e-03] [-9.91212612e-04 1.42205959e-03 1.27043156e-03] [ 1.66388734e-03 8.18991746e-04 3.83279114e-03] [-1.66388734e-03 -8.18991746e-04 3.83279114e-03] [ 4.27435864e-14 -7.13595849e-14 8.70414851e-14] [ 4.33251525e-14 -1.15843783e-14 -2.14339432e-14] [-1.81499322e-03 -2.42384142e-04 2.05233402e-04] [ 1.81499322e-03 2.42384142e-04 2.05233402e-04] [-1.81499322e-03 -2.42384142e-04 -2.05233402e-04] [ 1.81499322e-03 2.42384142e-04 -2.05233402e-04] [ 2.26612748e-03 -1.66458819e-03 2.26930114e-03] [ 2.26612748e-03 -1.66458819e-03 -2.26930114e-03] [-2.26612748e-03 1.66458819e-03 2.26930114e-03] [-2.26612748e-03 1.66458819e-03 -2.26930114e-03] [-3.07259466e-03 -3.43852109e-03 2.73114864e-14] [-3.50282475e-03 2.97703190e-03 -2.52922683e-14] [ 3.50282475e-03 -2.97703190e-03 -8.30238656e-15] [ 3.07259466e-03 3.43852109e-03 -4.45997406e-14] [-1.81499322e-03 -2.42384142e-04 2.05233402e-04] [ 1.81499322e-03 2.42384142e-04 2.05233402e-04] [-1.81499322e-03 -2.42384142e-04 -2.05233402e-04] [ 1.81499322e-03 2.42384142e-04 -2.05233402e-04] [ 2.26612748e-03 -1.66458819e-03 2.26930114e-03] [ 2.26612748e-03 -1.66458819e-03 -2.26930114e-03] [-2.26612748e-03 1.66458819e-03 2.26930114e-03] [-2.26612748e-03 1.66458819e-03 -2.26930114e-03] [-3.07259466e-03 -3.43852109e-03 7.34516744e-14] [-3.50282475e-03 2.97703190e-03 4.95101193e-14] [ 3.50282475e-03 -2.97703190e-03 5.57338870e-14] [ 3.07259466e-03 3.43852109e-03 1.58002951e-14]] Final stress: [ 3.58032984e-04 -2.90646521e-05 3.57187242e-04 4.31846501e-17 -1.49485327e-17 -4.30827000e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.13635281e-04 -1.04666613e-03 -1.03519623e-15] [ 7.13635281e-04 1.04666613e-03 3.49720253e-15] [-9.50512971e-04 -2.85735160e-03 -5.55718666e-15] [ 9.50512971e-04 2.85735160e-03 -5.55111512e-16] [ 3.05224596e-15 -2.59861577e-15 -7.32939381e-04] [ 1.49880108e-15 -2.38697950e-15 7.32939381e-04] [-7.13635281e-04 -1.04666613e-03 3.60912461e-16] [ 7.13635281e-04 1.04666613e-03 -3.24319476e-15] [-9.50512971e-04 -2.85735160e-03 -6.50521303e-17] [ 9.50512971e-04 2.85735160e-03 5.68724317e-17] [-6.63705202e-15 -1.07298619e-15 -7.32939381e-04] [-8.84708973e-17 -1.93181068e-15 7.32939381e-04] [-3.32887324e-04 1.51860749e-03 6.04746166e-04] [ 3.32887324e-04 -1.51860749e-03 6.04746166e-04] [ 1.20102520e-03 6.06903071e-04 2.16548194e-03] [-1.20102520e-03 -6.06903071e-04 2.16548194e-03] [-3.32887324e-04 1.51860749e-03 -6.04746166e-04] [ 3.32887324e-04 -1.51860749e-03 -6.04746166e-04] [-1.20102520e-03 -6.06903071e-04 -2.16548194e-03] [ 1.20102520e-03 6.06903071e-04 -2.16548194e-03] [-3.32887324e-04 1.51860749e-03 6.04746166e-04] [ 3.32887324e-04 -1.51860749e-03 6.04746166e-04] [ 1.20102520e-03 6.06903071e-04 2.16548194e-03] [-1.20102520e-03 -6.06903071e-04 2.16548194e-03] [-3.32887324e-04 1.51860749e-03 -6.04746166e-04] [ 3.32887324e-04 -1.51860749e-03 -6.04746166e-04] [-1.20102520e-03 -6.06903071e-04 -2.16548194e-03] [ 1.20102520e-03 6.06903071e-04 -2.16548194e-03] [ 3.05866443e-14 -3.55548924e-14 2.02338146e-14] [-3.60930903e-14 -1.01152060e-14 3.21111684e-15] [ 2.26001223e-04 5.13751147e-04 1.53404516e-04] [-2.26001223e-04 -5.13751147e-04 1.53404516e-04] [ 2.26001223e-04 5.13751147e-04 -1.53404516e-04] [-2.26001223e-04 -5.13751147e-04 -1.53404516e-04] [-1.43004289e-03 3.10986738e-04 -1.42190343e-03] [-1.43004289e-03 3.10986738e-04 1.42190343e-03] [ 1.43004289e-03 -3.10986738e-04 -1.42190343e-03] [ 1.43004289e-03 -3.10986738e-04 1.42190343e-03] [ 2.02908987e-03 2.42876686e-03 2.09832152e-14] [ 1.71754666e-03 -1.37938317e-03 7.75421394e-15] [-1.71754666e-03 1.37938317e-03 2.89698820e-14] [-2.02908987e-03 -2.42876686e-03 3.48505946e-15] [ 2.26001223e-04 5.13751147e-04 1.53404516e-04] [-2.26001223e-04 -5.13751147e-04 1.53404516e-04] [ 2.26001223e-04 5.13751147e-04 -1.53404516e-04] [-2.26001223e-04 -5.13751147e-04 -1.53404516e-04] [-1.43004289e-03 3.10986738e-04 -1.42190343e-03] [-1.43004289e-03 3.10986738e-04 1.42190343e-03] [ 1.43004289e-03 -3.10986738e-04 -1.42190343e-03] [ 1.43004289e-03 -3.10986738e-04 1.42190343e-03] [ 2.02908987e-03 2.42876686e-03 1.52455048e-14] [ 1.71754666e-03 -1.37938317e-03 1.85009614e-14] [-1.71754666e-03 1.37938317e-03 5.66107355e-15] [-2.02908987e-03 -2.42876686e-03 9.06393016e-16]] Final stress: [-3.52302640e-04 -2.56094700e-05 -3.52677807e-04 -0.00000000e+00 -1.66411912e-17 4.34775568e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.44686744e-04 9.81371391e-04 -2.14108245e-15] [ 7.44686744e-04 -9.81371391e-04 -1.52655666e-15] [ 8.85254601e-04 -2.87037126e-03 -1.52829138e-15] [-8.85254601e-04 2.87037126e-03 1.33226763e-15] [ 4.35675801e-15 -1.59334351e-15 -7.63824211e-04] [ 7.21644966e-16 -4.91273688e-15 7.63824211e-04] [-7.44686744e-04 9.81371391e-04 -3.35342913e-15] [ 7.44686744e-04 -9.81371391e-04 -7.41976875e-15] [ 8.85254601e-04 -2.87037126e-03 2.87578293e-15] [-8.85254601e-04 2.87037126e-03 -5.53491373e-15] [-5.15212872e-15 -8.14284959e-16 -7.63824211e-04] [-9.00321484e-16 2.41620383e-15 7.63824211e-04] [-1.18615034e-03 6.24755905e-04 -2.20433489e-03] [ 1.18615034e-03 -6.24755905e-04 -2.20433489e-03] [ 3.38820620e-04 1.51628536e-03 -6.52554407e-04] [-3.38820620e-04 -1.51628536e-03 -6.52554407e-04] [-1.18615034e-03 6.24755905e-04 2.20433489e-03] [ 1.18615034e-03 -6.24755905e-04 2.20433489e-03] [-3.38820620e-04 -1.51628536e-03 6.52554407e-04] [ 3.38820620e-04 1.51628536e-03 6.52554407e-04] [-1.18615034e-03 6.24755905e-04 -2.20433489e-03] [ 1.18615034e-03 -6.24755905e-04 -2.20433489e-03] [ 3.38820620e-04 1.51628536e-03 -6.52554407e-04] [-3.38820620e-04 -1.51628536e-03 -6.52554407e-04] [-1.18615034e-03 6.24755905e-04 2.20433489e-03] [ 1.18615034e-03 -6.24755905e-04 2.20433489e-03] [-3.38820620e-04 -1.51628536e-03 6.52554407e-04] [ 3.38820620e-04 1.51628536e-03 6.52554407e-04] [ 2.37865283e-14 -5.60662627e-15 3.36120021e-14] [-2.43863089e-14 -5.07122056e-15 -4.22433929e-15] [-2.13590533e-04 5.03219667e-04 1.86173892e-04] [ 2.13590533e-04 -5.03219667e-04 1.86173892e-04] [-2.13590533e-04 5.03219667e-04 -1.86173892e-04] [ 2.13590533e-04 -5.03219667e-04 -1.86173892e-04] [-1.41669066e-03 -2.98236186e-04 -1.40835664e-03] [-1.41669066e-03 -2.98236186e-04 1.40835664e-03] [ 1.41669066e-03 2.98236186e-04 -1.40835664e-03] [ 1.41669066e-03 2.98236186e-04 1.40835664e-03] [-1.68461603e-03 -1.38941970e-03 1.18793864e-14] [-2.06147955e-03 2.41789784e-03 4.42354486e-16] [ 2.06147955e-03 -2.41789784e-03 4.32466563e-15] [ 1.68461603e-03 1.38941970e-03 -2.54397198e-14] [-2.13590533e-04 5.03219667e-04 1.86173892e-04] [ 2.13590533e-04 -5.03219667e-04 1.86173892e-04] [-2.13590533e-04 5.03219667e-04 -1.86173892e-04] [ 2.13590533e-04 -5.03219667e-04 -1.86173892e-04] [-1.41669066e-03 -2.98236186e-04 -1.40835664e-03] [-1.41669066e-03 -2.98236186e-04 1.40835664e-03] [ 1.41669066e-03 2.98236186e-04 -1.40835664e-03] [ 1.41669066e-03 2.98236186e-04 1.40835664e-03] [-1.68461603e-03 -1.38941970e-03 1.83497016e-14] [-2.06147955e-03 2.41789784e-03 1.70578883e-14] [ 2.06147955e-03 -2.41789784e-03 1.29404815e-14] [ 1.68461603e-03 1.38941970e-03 1.79483164e-14]] Final stress: [-3.52561197e-04 -2.59534288e-05 -3.52935448e-04 1.33129529e-17 -1.66411912e-18 -4.35446527e-04] Minimization converged after 26 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.64794077e-04 1.50508946e-14 3.55488208e-15] [-6.64794077e-04 2.56461519e-14 1.83741911e-14] [ 2.42557710e-14 7.67238595e-04 -9.24055638e-04] [ 6.35602682e-15 -7.67238595e-04 9.24055638e-04] [-2.35922393e-15 -1.11164998e-03 4.55729821e-03] [-8.99280650e-15 1.11164998e-03 -4.55729821e-03] [ 6.64794077e-04 1.96184215e-14 -3.49207332e-15] [-6.64794077e-04 -6.98616512e-15 -9.06416267e-15] [-1.53510017e-14 7.67238595e-04 -9.24055638e-04] [ 1.71316954e-14 -7.67238595e-04 9.24055638e-04] [-9.25908655e-16 -1.11164998e-03 4.55729821e-03] [ 1.12340692e-14 1.11164998e-03 -4.55729821e-03] [ 3.83279115e-03 1.66388734e-03 -8.18991747e-04] [ 1.27043156e-03 -9.91212616e-04 -1.42205959e-03] [ 1.27043156e-03 9.91212616e-04 1.42205959e-03] [ 3.83279115e-03 -1.66388734e-03 8.18991747e-04] [-1.27043156e-03 9.91212616e-04 1.42205959e-03] [-3.83279115e-03 -1.66388734e-03 8.18991747e-04] [-1.27043156e-03 -9.91212616e-04 -1.42205959e-03] [-3.83279115e-03 1.66388734e-03 -8.18991747e-04] [ 3.83279115e-03 1.66388734e-03 -8.18991747e-04] [ 1.27043156e-03 -9.91212616e-04 -1.42205959e-03] [ 1.27043156e-03 9.91212616e-04 1.42205959e-03] [ 3.83279115e-03 -1.66388734e-03 8.18991747e-04] [-1.27043156e-03 9.91212616e-04 1.42205959e-03] [-3.83279115e-03 -1.66388734e-03 8.18991747e-04] [-1.27043156e-03 -9.91212616e-04 -1.42205959e-03] [-3.83279115e-03 1.66388734e-03 -8.18991747e-04] [ 8.61810623e-14 -1.09329212e-13 9.81159598e-14] [-7.91012221e-14 -2.03089514e-14 4.13599471e-15] [-4.81836793e-14 3.50282476e-03 2.97703190e-03] [ 3.52842755e-15 3.07259467e-03 -3.43852109e-03] [-4.62858918e-14 -3.07259467e-03 3.43852109e-03] [-1.85441940e-14 -3.50282476e-03 -2.97703190e-03] [ 2.05233405e-04 1.81499323e-03 -2.42384142e-04] [ 2.05233405e-04 -1.81499323e-03 2.42384142e-04] [-2.05233405e-04 1.81499323e-03 -2.42384142e-04] [-2.05233405e-04 -1.81499323e-03 2.42384142e-04] [ 2.26930115e-03 2.26612748e-03 1.66458819e-03] [-2.26930115e-03 2.26612748e-03 1.66458819e-03] [ 2.26930115e-03 -2.26612748e-03 -1.66458819e-03] [-2.26930115e-03 -2.26612748e-03 -1.66458819e-03] [ 4.33828320e-14 3.50282476e-03 2.97703190e-03] [-2.00555718e-14 3.07259467e-03 -3.43852109e-03] [ 3.25950204e-14 -3.07259467e-03 3.43852109e-03] [-1.71295270e-14 -3.50282476e-03 -2.97703190e-03] [ 2.05233405e-04 1.81499323e-03 -2.42384142e-04] [ 2.05233405e-04 -1.81499323e-03 2.42384142e-04] [-2.05233405e-04 1.81499323e-03 -2.42384142e-04] [-2.05233405e-04 -1.81499323e-03 2.42384142e-04] [ 2.26930115e-03 2.26612748e-03 1.66458819e-03] [-2.26930115e-03 2.26612748e-03 1.66458819e-03] [ 2.26930115e-03 -2.26612748e-03 -1.66458819e-03] [-2.26930115e-03 -2.26612748e-03 -1.66458819e-03]] Final stress: [ 3.57187242e-04 3.58032984e-04 -2.90646524e-05 4.30827000e-04 -3.82018059e-17 -3.15580136e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.64794077e-04 -3.51368240e-15 8.12631212e-15] [-6.64794077e-04 -3.60822483e-15 3.46944695e-15] [ 1.00895854e-14 7.67238595e-04 9.24055638e-04] [-1.88737914e-15 -7.67238595e-04 -9.24055638e-04] [ 4.15119328e-15 1.11164998e-03 4.55729821e-03] [-9.74220704e-15 -1.11164998e-03 -4.55729821e-03] [ 6.64794077e-04 2.23822696e-15 -1.31644001e-14] [-6.64794077e-04 6.57850510e-15 -9.81093995e-15] [-1.52295711e-14 7.67238595e-04 9.24055638e-04] [-8.24427332e-16 -7.67238595e-04 -9.24055638e-04] [-2.06505819e-14 1.11164998e-03 4.55729821e-03] [ 1.36045689e-15 -1.11164998e-03 -4.55729821e-03] [-1.27043156e-03 9.91212615e-04 -1.42205959e-03] [-3.83279115e-03 -1.66388734e-03 -8.18991747e-04] [-3.83279115e-03 1.66388734e-03 8.18991747e-04] [-1.27043156e-03 -9.91212615e-04 1.42205959e-03] [ 3.83279115e-03 1.66388734e-03 8.18991747e-04] [ 1.27043156e-03 -9.91212615e-04 1.42205959e-03] [ 3.83279115e-03 -1.66388734e-03 -8.18991747e-04] [ 1.27043156e-03 9.91212615e-04 -1.42205959e-03] [-1.27043156e-03 9.91212615e-04 -1.42205959e-03] [-3.83279115e-03 -1.66388734e-03 -8.18991747e-04] [-3.83279115e-03 1.66388734e-03 8.18991747e-04] [-1.27043156e-03 -9.91212615e-04 1.42205959e-03] [ 3.83279115e-03 1.66388734e-03 8.18991747e-04] [ 1.27043156e-03 -9.91212615e-04 1.42205959e-03] [ 3.83279115e-03 -1.66388734e-03 -8.18991747e-04] [ 1.27043156e-03 9.91212615e-04 -1.42205959e-03] [ 1.69309011e-14 -1.23789867e-13 7.74103004e-14] [-2.19958600e-14 -3.25972438e-14 4.63946106e-15] [-2.43138842e-14 -3.07259467e-03 -3.43852109e-03] [-2.22426244e-14 -3.50282476e-03 2.97703190e-03] [-2.65308608e-14 3.50282476e-03 -2.97703190e-03] [ 1.76941795e-14 3.07259467e-03 3.43852109e-03] [ 2.05233404e-04 -1.81499323e-03 -2.42384142e-04] [ 2.05233404e-04 1.81499323e-03 2.42384142e-04] [-2.05233404e-04 -1.81499323e-03 -2.42384142e-04] [-2.05233404e-04 1.81499323e-03 2.42384142e-04] [ 2.26930115e-03 2.26612748e-03 -1.66458819e-03] [-2.26930115e-03 2.26612748e-03 -1.66458819e-03] [ 2.26930115e-03 -2.26612748e-03 1.66458819e-03] [-2.26930115e-03 -2.26612748e-03 1.66458819e-03] [-1.07761022e-14 -3.07259467e-03 -3.43852109e-03] [ 2.85492116e-14 -3.50282476e-03 2.97703190e-03] [-1.72596312e-14 3.50282476e-03 -2.97703190e-03] [ 2.90401383e-14 3.07259467e-03 3.43852109e-03] [ 2.05233404e-04 -1.81499323e-03 -2.42384142e-04] [ 2.05233404e-04 1.81499323e-03 2.42384142e-04] [-2.05233404e-04 -1.81499323e-03 -2.42384142e-04] [-2.05233404e-04 1.81499323e-03 2.42384142e-04] [ 2.26930115e-03 2.26612748e-03 -1.66458819e-03] [-2.26930115e-03 2.26612748e-03 -1.66458819e-03] [ 2.26930115e-03 -2.26612748e-03 1.66458819e-03] [-2.26930115e-03 -2.26612748e-03 1.66458819e-03]] Final stress: [ 3.57187242e-04 3.58032984e-04 -2.90646523e-05 -4.30827000e-04 -4.31846501e-17 -2.65751693e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.40523064e-04 -6.05028180e-15 2.90219238e-15] [ 7.40523064e-04 -4.44089210e-16 1.72084569e-15] [ 1.52829138e-15 -7.21189241e-04 -1.02146783e-03] [ 5.35682609e-15 7.21189241e-04 1.02146783e-03] [ 2.07906609e-15 -9.25372046e-04 -2.86173428e-03] [ 1.16573418e-15 9.25372046e-04 2.86173428e-03] [-7.40523064e-04 2.11202583e-16 -8.05469041e-17] [ 7.40523064e-04 3.01711781e-15 -3.37421461e-15] [ 2.52228793e-15 -7.21189241e-04 -1.02146783e-03] [ 2.16406754e-16 7.21189241e-04 1.02146783e-03] [-8.76902717e-15 -9.25372046e-04 -2.86173428e-03] [-4.75097392e-15 9.25372046e-04 2.86173428e-03] [ 6.21761324e-04 -3.36524301e-04 1.51612837e-03] [ 2.17962376e-03 1.19443085e-03 6.14406388e-04] [ 2.17962376e-03 -1.19443085e-03 -6.14406388e-04] [ 6.21761324e-04 3.36524301e-04 -1.51612837e-03] [-2.17962376e-03 -1.19443085e-03 -6.14406388e-04] [-6.21761324e-04 3.36524301e-04 -1.51612837e-03] [-2.17962376e-03 1.19443085e-03 6.14406388e-04] [-6.21761324e-04 -3.36524301e-04 1.51612837e-03] [ 6.21761324e-04 -3.36524301e-04 1.51612837e-03] [ 2.17962376e-03 1.19443085e-03 6.14406388e-04] [ 2.17962376e-03 -1.19443085e-03 -6.14406388e-04] [ 6.21761324e-04 3.36524301e-04 -1.51612837e-03] [-2.17962376e-03 -1.19443085e-03 -6.14406388e-04] [-6.21761324e-04 3.36524301e-04 -1.51612837e-03] [-2.17962376e-03 1.19443085e-03 6.14406388e-04] [-6.21761324e-04 -3.36524301e-04 1.51612837e-03] [ 1.44328993e-15 -3.51940699e-14 8.35442826e-15] [-8.63935659e-15 1.04942839e-14 -1.02447418e-14] [-5.88418203e-15 2.05170864e-03 2.40880011e-03] [-1.25004174e-14 1.69123754e-03 -1.39508691e-03] [ 1.15428500e-14 -1.69123754e-03 1.39508691e-03] [ 4.72191730e-15 -2.05170864e-03 -2.40880011e-03] [ 1.77956303e-04 2.24609407e-04 4.95866879e-04] [ 1.77956303e-04 -2.24609407e-04 -4.95866879e-04] [-1.77956303e-04 2.24609407e-04 4.95866879e-04] [-1.77956303e-04 -2.24609407e-04 -4.95866879e-04] [-1.41583421e-03 -1.42411233e-03 3.09356302e-04] [ 1.41583421e-03 -1.42411233e-03 3.09356302e-04] [-1.41583421e-03 1.42411233e-03 -3.09356302e-04] [ 1.41583421e-03 1.42411233e-03 -3.09356302e-04] [-1.42420797e-15 2.05170864e-03 2.40880011e-03] [ 2.83367080e-15 1.69123754e-03 -1.39508691e-03] [-1.41254196e-14 -1.69123754e-03 1.39508691e-03] [ 4.58834359e-15 -2.05170864e-03 -2.40880011e-03] [ 1.77956303e-04 2.24609407e-04 4.95866879e-04] [ 1.77956303e-04 -2.24609407e-04 -4.95866879e-04] [-1.77956303e-04 2.24609407e-04 4.95866879e-04] [-1.77956303e-04 -2.24609407e-04 -4.95866879e-04] [-1.41583421e-03 -1.42411233e-03 3.09356302e-04] [ 1.41583421e-03 -1.42411233e-03 3.09356302e-04] [-1.41583421e-03 1.42411233e-03 -3.09356302e-04] [ 1.41583421e-03 1.42411233e-03 -3.09356302e-04]] Final stress: [-3.52787271e-04 -3.52412646e-04 -2.57009226e-05 4.35037870e-04 1.16488338e-17 -1.99694294e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.64476903e-04 -1.04213513e-15 -4.77916318e-15] [ 7.64476903e-04 -1.30451205e-15 2.41473508e-15] [ 8.18355800e-16 -7.45350160e-04 9.81088299e-04] [ 4.66293670e-15 7.45350160e-04 -9.81088299e-04] [ 7.89125709e-15 8.84964739e-04 -2.87089207e-03] [-4.44089210e-15 -8.84964739e-04 2.87089207e-03] [-7.64476903e-04 1.88954755e-15 1.88630426e-15] [ 7.64476903e-04 2.73695996e-15 -7.46165765e-15] [-4.21971486e-16 -7.45350160e-04 9.81088299e-04] [-4.81645973e-15 7.45350160e-04 -9.81088299e-04] [-6.01905678e-15 8.84964739e-04 -2.87089207e-03] [-3.01104627e-15 -8.84964739e-04 2.87089207e-03] [-2.20482196e-03 -1.18626432e-03 6.24833746e-04] [-6.53038788e-04 3.38718515e-04 1.51658838e-03] [-6.53038788e-04 -3.38718515e-04 -1.51658838e-03] [-2.20482196e-03 1.18626432e-03 -6.24833746e-04] [ 6.53038788e-04 -3.38718515e-04 -1.51658838e-03] [ 2.20482196e-03 1.18626432e-03 -6.24833746e-04] [ 6.53038788e-04 3.38718515e-04 1.51658838e-03] [ 2.20482196e-03 -1.18626432e-03 6.24833746e-04] [-2.20482196e-03 -1.18626432e-03 6.24833746e-04] [-6.53038788e-04 3.38718515e-04 1.51658838e-03] [-6.53038788e-04 -3.38718515e-04 -1.51658838e-03] [-2.20482196e-03 1.18626432e-03 -6.24833746e-04] [ 6.53038788e-04 -3.38718515e-04 -1.51658838e-03] [ 2.20482196e-03 1.18626432e-03 -6.24833746e-04] [ 6.53038788e-04 3.38718515e-04 1.51658838e-03] [ 2.20482196e-03 -1.18626432e-03 6.24833746e-04] [ 1.12132525e-14 -1.16573418e-14 -4.49640325e-15] [-9.11467082e-15 1.17553536e-14 1.30181136e-14] [-2.96429548e-14 -1.68361070e-03 -1.39093186e-03] [-1.52343416e-14 -2.06322474e-03 2.41705616e-03] [ 1.31439998e-14 2.06322474e-03 -2.41705616e-03] [ 1.45508605e-14 1.68361070e-03 1.39093186e-03] [ 1.87551076e-04 -2.13215832e-04 5.02038055e-04] [ 1.87551076e-04 2.13215831e-04 -5.02038055e-04] [-1.87551076e-04 -2.13215832e-04 5.02038055e-04] [-1.87551076e-04 2.13215831e-04 -5.02038055e-04] [-1.40826101e-03 -1.41660175e-03 -2.97842796e-04] [ 1.40826101e-03 -1.41660175e-03 -2.97842796e-04] [-1.40826101e-03 1.41660175e-03 2.97842796e-04] [ 1.40826101e-03 1.41660175e-03 2.97842796e-04] [ 9.87101026e-15 -1.68361070e-03 -1.39093186e-03] [ 2.59284781e-14 -2.06322474e-03 2.41705616e-03] [-2.12486279e-14 2.06322474e-03 -2.41705616e-03] [ 2.00664138e-15 1.68361070e-03 1.39093186e-03] [ 1.87551076e-04 -2.13215831e-04 5.02038055e-04] [ 1.87551076e-04 2.13215831e-04 -5.02038055e-04] [-1.87551076e-04 -2.13215832e-04 5.02038055e-04] [-1.87551076e-04 2.13215831e-04 -5.02038055e-04] [-1.40826101e-03 -1.41660175e-03 -2.97842796e-04] [ 1.40826101e-03 -1.41660175e-03 -2.97842796e-04] [-1.40826101e-03 1.41660175e-03 2.97842796e-04] [ 1.40826101e-03 1.41660175e-03 2.97842796e-04]] Final stress: [-3.52941584e-04 -3.52567266e-04 -2.59463436e-05 -4.35449179e-04 2.16335485e-17 9.98471470e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.67238595e-04 3.36362882e-15 -9.24055638e-04] [-7.67238595e-04 9.71445147e-15 9.24055638e-04] [-3.30898503e-16 6.64794077e-04 7.88171611e-15] [-1.01030295e-14 -6.64794077e-04 -1.13797860e-15] [-1.11164998e-03 -1.07088817e-14 4.55729821e-03] [ 1.11164998e-03 6.85562718e-15 -4.55729821e-03] [ 7.67238595e-04 1.59594560e-14 -9.24055638e-04] [-7.67238595e-04 9.38181824e-15 9.24055638e-04] [-2.56934231e-14 6.64794077e-04 2.56068483e-14] [-2.28823037e-14 -6.64794077e-04 2.27009417e-14] [-1.11164998e-03 -1.73118025e-15 4.55729821e-03] [ 1.11164998e-03 -1.23924925e-14 -4.55729821e-03] [ 1.66388734e-03 3.83279115e-03 -8.18991748e-04] [-9.91212618e-04 1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 3.83279115e-03 8.18991748e-04] [ 9.91212618e-04 1.27043156e-03 1.42205959e-03] [ 9.91212618e-04 -1.27043156e-03 1.42205959e-03] [-1.66388734e-03 -3.83279115e-03 8.18991748e-04] [ 1.66388734e-03 -3.83279115e-03 -8.18991748e-04] [-9.91212618e-04 -1.27043156e-03 -1.42205959e-03] [ 1.66388734e-03 3.83279115e-03 -8.18991748e-04] [-9.91212618e-04 1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 3.83279115e-03 8.18991748e-04] [ 9.91212618e-04 1.27043156e-03 1.42205959e-03] [ 9.91212618e-04 -1.27043156e-03 1.42205959e-03] [-1.66388734e-03 -3.83279115e-03 8.18991748e-04] [ 1.66388734e-03 -3.83279115e-03 -8.18991748e-04] [-9.91212618e-04 -1.27043156e-03 -1.42205959e-03] [ 1.19626531e-14 -4.71844785e-14 5.28188604e-14] [-5.85148249e-14 -6.97187289e-14 -2.77095525e-14] [ 1.81499323e-03 2.05233406e-04 -2.42384142e-04] [ 1.81499323e-03 -2.05233406e-04 -2.42384142e-04] [-1.81499323e-03 2.05233406e-04 2.42384142e-04] [-1.81499323e-03 -2.05233406e-04 2.42384142e-04] [ 3.50282477e-03 -5.80646642e-14 2.97703191e-03] [-3.07259467e-03 -6.93941432e-14 3.43852110e-03] [ 3.07259467e-03 -3.90330129e-14 -3.43852110e-03] [-3.50282477e-03 -3.82697346e-14 -2.97703191e-03] [ 2.26612748e-03 2.26930115e-03 1.66458820e-03] [-2.26612748e-03 2.26930115e-03 -1.66458820e-03] [ 2.26612748e-03 -2.26930115e-03 1.66458820e-03] [-2.26612748e-03 -2.26930115e-03 -1.66458820e-03] [ 1.81499323e-03 2.05233406e-04 -2.42384142e-04] [ 1.81499323e-03 -2.05233406e-04 -2.42384142e-04] [-1.81499323e-03 2.05233406e-04 2.42384142e-04] [-1.81499323e-03 -2.05233406e-04 2.42384142e-04] [ 3.50282477e-03 -5.79526845e-14 2.97703191e-03] [-3.07259467e-03 -3.39728246e-14 3.43852110e-03] [ 3.07259467e-03 -4.08323549e-14 -3.43852110e-03] [-3.50282477e-03 -1.44407056e-14 -2.97703191e-03] [ 2.26612748e-03 2.26930115e-03 1.66458820e-03] [-2.26612748e-03 2.26930115e-03 -1.66458820e-03] [ 2.26612748e-03 -2.26930115e-03 1.66458820e-03] [-2.26612748e-03 -2.26930115e-03 -1.66458820e-03]] Final stress: [ 3.58032984e-04 3.57187242e-04 -2.90646526e-05 2.32532732e-17 4.30827000e-04 1.66094808e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.67238595e-04 5.21848190e-15 9.24055638e-04] [-7.67238595e-04 -9.71445147e-15 -9.24055638e-04] [-1.12345029e-14 6.64794077e-04 5.42794976e-15] [ 9.71445147e-16 -6.64794077e-04 4.16333634e-16] [ 1.11164998e-03 1.06113035e-14 4.55729820e-03] [-1.11164998e-03 2.15105711e-14 -4.55729820e-03] [ 7.67238594e-04 7.84962373e-17 9.24055638e-04] [-7.67238595e-04 -2.86055901e-15 -9.24055638e-04] [ 1.63371920e-14 6.64794077e-04 -1.15964096e-14] [ 2.07815536e-14 -6.64794077e-04 -1.91401358e-14] [ 1.11164998e-03 9.29268849e-15 4.55729820e-03] [-1.11164998e-03 -4.27338871e-15 -4.55729820e-03] [ 9.91212614e-04 -1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 -3.83279114e-03 -8.18991747e-04] [-9.91212614e-04 -1.27043156e-03 1.42205959e-03] [ 1.66388734e-03 -3.83279114e-03 8.18991747e-04] [ 1.66388734e-03 3.83279114e-03 8.18991747e-04] [-9.91212614e-04 1.27043156e-03 1.42205959e-03] [ 9.91212614e-04 1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 3.83279114e-03 -8.18991747e-04] [ 9.91212614e-04 -1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 -3.83279114e-03 -8.18991747e-04] [-9.91212614e-04 -1.27043156e-03 1.42205959e-03] [ 1.66388734e-03 -3.83279114e-03 8.18991747e-04] [ 1.66388734e-03 3.83279114e-03 8.18991747e-04] [-9.91212614e-04 1.27043156e-03 1.42205959e-03] [ 9.91212614e-04 1.27043156e-03 -1.42205959e-03] [-1.66388734e-03 3.83279114e-03 -8.18991747e-04] [ 1.62647673e-14 -4.18276525e-14 5.76205750e-14] [ 1.46614491e-14 -2.21729648e-14 5.28456199e-14] [-1.81499322e-03 2.05233403e-04 -2.42384142e-04] [-1.81499322e-03 -2.05233403e-04 -2.42384142e-04] [ 1.81499322e-03 2.05233403e-04 2.42384142e-04] [ 1.81499322e-03 -2.05233403e-04 2.42384142e-04] [-3.07259466e-03 -4.91828800e-14 -3.43852109e-03] [ 3.50282476e-03 -2.03483064e-14 -2.97703190e-03] [-3.50282476e-03 -6.21551421e-14 2.97703190e-03] [ 3.07259466e-03 2.00169742e-14 3.43852109e-03] [ 2.26612748e-03 2.26930115e-03 -1.66458819e-03] [-2.26612748e-03 2.26930115e-03 1.66458819e-03] [ 2.26612748e-03 -2.26930115e-03 -1.66458819e-03] [-2.26612748e-03 -2.26930115e-03 1.66458819e-03] [-1.81499322e-03 2.05233403e-04 -2.42384142e-04] [-1.81499322e-03 -2.05233403e-04 -2.42384142e-04] [ 1.81499322e-03 2.05233403e-04 2.42384142e-04] [ 1.81499322e-03 -2.05233403e-04 2.42384142e-04] [-3.07259466e-03 -3.36521736e-14 -3.43852109e-03] [ 3.50282476e-03 -2.11894304e-14 -2.97703190e-03] [-3.50282476e-03 -6.00812802e-14 2.97703190e-03] [ 3.07259466e-03 -6.57677038e-15 3.43852109e-03] [ 2.26612748e-03 2.26930115e-03 -1.66458819e-03] [-2.26612748e-03 2.26930115e-03 1.66458819e-03] [ 2.26612748e-03 -2.26930115e-03 -1.66458819e-03] [-2.26612748e-03 -2.26930115e-03 1.66458819e-03]] Final stress: [ 3.58032984e-04 3.57187242e-04 -2.90646523e-05 3.82018059e-17 -4.30827000e-04 1.99313770e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.22613237e-04 -1.66663558e-15 -1.01306649e-03] [ 7.22613237e-04 -3.33066907e-15 1.01306649e-03] [ 6.00648004e-15 -7.41983278e-04 2.24213009e-15] [ 1.11022302e-15 7.41983278e-04 5.13478149e-15] [-9.16996045e-04 6.21898366e-16 -2.86397850e-03] [ 9.16996045e-04 -1.66533454e-16 2.86397850e-03] [-7.22613237e-04 -2.12243417e-15 -1.01306649e-03] [ 7.22613237e-04 4.14859119e-15 1.01306649e-03] [ 2.32496314e-15 -7.41983278e-04 2.86306708e-15] [ 2.23735960e-15 7.41983278e-04 -3.09992756e-15] [-9.16996045e-04 -9.41538103e-17 -2.86397850e-03] [ 9.16996045e-04 6.54381063e-15 2.86397850e-03] [-3.38149800e-04 6.27336660e-04 1.51521215e-03] [ 1.19220730e-03 2.18465508e-03 6.17238740e-04] [ 3.38149800e-04 6.27336660e-04 -1.51521215e-03] [-1.19220730e-03 2.18465508e-03 -6.17238740e-04] [-1.19220730e-03 -2.18465508e-03 -6.17238740e-04] [ 3.38149800e-04 -6.27336660e-04 -1.51521215e-03] [-3.38149800e-04 -6.27336660e-04 1.51521215e-03] [ 1.19220730e-03 -2.18465508e-03 6.17238740e-04] [-3.38149800e-04 6.27336660e-04 1.51521215e-03] [ 1.19220730e-03 2.18465508e-03 6.17238740e-04] [ 3.38149800e-04 6.27336660e-04 -1.51521215e-03] [-1.19220730e-03 2.18465508e-03 -6.17238740e-04] [-1.19220730e-03 -2.18465508e-03 -6.17238740e-04] [ 3.38149800e-04 -6.27336660e-04 -1.51521215e-03] [-3.38149800e-04 -6.27336660e-04 1.51521215e-03] [ 1.19220730e-03 -2.18465508e-03 6.17238740e-04] [ 2.87270208e-14 -5.68989300e-15 7.71605002e-15] [-2.62502693e-14 -7.68981827e-15 -2.23188019e-14] [ 2.25190544e-04 1.95537773e-04 4.79721546e-04] [ 2.25190544e-04 -1.95537774e-04 4.79721546e-04] [-2.25190544e-04 1.95537773e-04 -4.79721546e-04] [-2.25190544e-04 -1.95537773e-04 -4.79721546e-04] [ 2.06858409e-03 -2.08721929e-14 2.39174123e-03] [-1.67306479e-03 4.16333634e-17 1.41024478e-03] [ 1.67306479e-03 -2.81875218e-14 -1.41024478e-03] [-2.06858409e-03 -4.11823353e-15 -2.39174123e-03] [-1.42164188e-03 -1.41326905e-03 3.09758195e-04] [ 1.42164188e-03 -1.41326905e-03 -3.09758195e-04] [-1.42164188e-03 1.41326905e-03 3.09758195e-04] [ 1.42164188e-03 1.41326905e-03 -3.09758195e-04] [ 2.25190544e-04 1.95537773e-04 4.79721546e-04] [ 2.25190544e-04 -1.95537773e-04 4.79721546e-04] [-2.25190544e-04 1.95537774e-04 -4.79721546e-04] [-2.25190544e-04 -1.95537774e-04 -4.79721546e-04] [ 2.06858409e-03 4.70993572e-16 2.39174123e-03] [-1.67306479e-03 6.67586646e-15 1.41024478e-03] [ 1.67306479e-03 4.56926164e-15 -1.41024478e-03] [-2.06858409e-03 2.74389886e-15 -2.39174123e-03] [-1.42164188e-03 -1.41326905e-03 3.09758195e-04] [ 1.42164188e-03 -1.41326905e-03 -3.09758195e-04] [-1.42164188e-03 1.41326905e-03 3.09758195e-04] [ 1.42164188e-03 1.41326905e-03 -3.09758195e-04]] Final stress: [-3.52466843e-04 -3.52841359e-04 -2.56884157e-05 6.65647647e-18 4.35126508e-04 -6.65647647e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.33948296e-04 -9.12464548e-16 1.04057721e-03] [ 7.33948296e-04 -3.05311332e-15 -1.04057721e-03] [ 1.24032729e-15 -7.52859170e-04 3.89792365e-15] [ 5.30131494e-15 7.52859170e-04 2.22044605e-16] [ 9.44269057e-04 -3.26865271e-15 -2.85877467e-03] [-9.44269057e-04 -1.44328993e-15 2.85877467e-03] [-7.33948296e-04 2.47761880e-15 1.04057721e-03] [ 7.33948296e-04 1.61719596e-15 -1.04057721e-03] [-1.82319437e-15 -7.52859170e-04 -3.26277218e-15] [ 6.30571984e-16 7.52859170e-04 8.57213860e-16] [ 9.44269057e-04 1.93629490e-15 -2.85877467e-03] [-9.44269057e-04 -1.73811974e-15 2.85877467e-03] [-1.20253766e-03 -2.17115946e-03 6.05714495e-04] [ 3.27946736e-04 -6.14215342e-04 1.52387415e-03] [ 1.20253766e-03 -2.17115946e-03 -6.05714495e-04] [-3.27946736e-04 -6.14215342e-04 -1.52387415e-03] [-3.27946736e-04 6.14215342e-04 -1.52387415e-03] [ 1.20253766e-03 2.17115946e-03 -6.05714495e-04] [-1.20253766e-03 2.17115946e-03 6.05714495e-04] [ 3.27946736e-04 6.14215342e-04 1.52387415e-03] [-1.20253766e-03 -2.17115946e-03 6.05714495e-04] [ 3.27946736e-04 -6.14215342e-04 1.52387415e-03] [ 1.20253766e-03 -2.17115946e-03 -6.05714495e-04] [-3.27946736e-04 -6.14215342e-04 -1.52387415e-03] [-3.27946736e-04 6.14215342e-04 -1.52387415e-03] [ 1.20253766e-03 2.17115946e-03 -6.05714495e-04] [-1.20253766e-03 2.17115946e-03 6.05714495e-04] [ 3.27946736e-04 6.14215342e-04 1.52387415e-03] [ 3.08086889e-14 -1.28508315e-14 3.16413562e-14] [-4.08917691e-15 -1.51534660e-14 2.90788782e-15] [-2.10978270e-04 9.37748384e-05 5.83754774e-04] [-2.10978270e-04 -9.37748383e-05 5.83754774e-04] [ 2.10978270e-04 9.37748383e-05 -5.83754774e-04] [ 2.10978270e-04 -9.37748383e-05 -5.83754774e-04] [-1.78280974e-03 1.25455202e-14 -1.31658798e-03] [ 1.97551571e-03 5.51642065e-15 -2.50576826e-03] [-1.97551571e-03 7.45584150e-15 2.50576826e-03] [ 1.78280974e-03 6.61450061e-15 1.31658798e-03] [-1.43259606e-03 -1.42476935e-03 -2.96534458e-04] [ 1.43259606e-03 -1.42476935e-03 2.96534458e-04] [-1.43259606e-03 1.42476935e-03 -2.96534458e-04] [ 1.43259606e-03 1.42476935e-03 2.96534458e-04] [-2.10978270e-04 9.37748382e-05 5.83754774e-04] [-2.10978270e-04 -9.37748382e-05 5.83754774e-04] [ 2.10978270e-04 9.37748382e-05 -5.83754774e-04] [ 2.10978270e-04 -9.37748382e-05 -5.83754774e-04] [-1.78280974e-03 -2.63768769e-14 -1.31658798e-03] [ 1.97551571e-03 -1.57976930e-14 -2.50576826e-03] [-1.97551571e-03 -3.78755187e-14 2.50576826e-03] [ 1.78280974e-03 -1.63614781e-14 1.31658798e-03] [-1.43259606e-03 -1.42476935e-03 -2.96534458e-04] [ 1.43259606e-03 -1.42476935e-03 2.96534458e-04] [-1.43259606e-03 1.42476935e-03 -2.96534458e-04] [ 1.43259606e-03 1.42476935e-03 2.96534458e-04]] Final stress: [-3.52249660e-04 -3.52625183e-04 -2.58845320e-05 6.65647647e-18 -4.34824020e-04 -1.66411912e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.86673361e-04 -1.14675548e-03 -1.33261457e-14] [-8.86673361e-04 1.14675548e-03 -1.39888101e-14] [-1.14675548e-03 8.86673361e-04 2.64892275e-15] [ 1.14675548e-03 -8.86673361e-04 3.60822483e-16] [-6.50998352e-15 5.77836390e-15 5.59255944e-03] [ 1.12410081e-14 1.04083409e-14 -5.59255944e-03] [ 8.86673361e-04 -1.14675548e-03 7.91259757e-15] [-8.86673361e-04 1.14675549e-03 9.36165421e-15] [-1.14675548e-03 8.86673361e-04 -1.09083749e-14] [ 1.14675548e-03 -8.86673361e-04 -2.66454709e-15] [-3.69457069e-14 8.54163609e-15 5.59255944e-03] [-2.80691269e-14 -1.39636782e-14 -5.59255944e-03] [ 1.98253418e-03 1.98253418e-03 2.14664455e-03] [-1.98253418e-03 -1.98253418e-03 2.14664455e-03] [-1.39327682e-03 1.39327682e-03 4.67365792e-03] [ 1.39327682e-03 -1.39327682e-03 4.67365792e-03] [ 1.98253418e-03 1.98253418e-03 -2.14664455e-03] [-1.98253418e-03 -1.98253418e-03 -2.14664455e-03] [ 1.39327682e-03 -1.39327682e-03 -4.67365792e-03] [-1.39327682e-03 1.39327682e-03 -4.67365792e-03] [ 1.98253418e-03 1.98253418e-03 2.14664455e-03] [-1.98253418e-03 -1.98253418e-03 2.14664455e-03] [-1.39327682e-03 1.39327682e-03 4.67365792e-03] [ 1.39327682e-03 -1.39327682e-03 4.67365792e-03] [ 1.98253418e-03 1.98253418e-03 -2.14664455e-03] [-1.98253418e-03 -1.98253418e-03 -2.14664455e-03] [ 1.39327682e-03 -1.39327682e-03 -4.67365792e-03] [-1.39327682e-03 1.39327682e-03 -4.67365792e-03] [ 3.30291350e-14 -3.26683125e-14 3.99125177e-14] [-5.48857834e-14 -6.27805057e-14 3.13604965e-14] [ 2.63885989e-03 6.02249122e-04 -2.32208920e-04] [-2.63885989e-03 -6.02249122e-04 -2.32208920e-04] [ 2.63885989e-03 6.02249122e-04 2.32208920e-04] [-2.63885989e-03 -6.02249122e-04 2.32208920e-04] [ 6.02249122e-04 2.63885989e-03 -2.32208920e-04] [ 6.02249122e-04 2.63885989e-03 2.32208920e-04] [-6.02249122e-04 -2.63885989e-03 -2.32208920e-04] [-6.02249122e-04 -2.63885989e-03 2.32208920e-04] [ 6.98724013e-03 6.98724013e-03 8.52651283e-14] [ 1.24471107e-03 -1.24471107e-03 6.76750322e-14] [-1.24471107e-03 1.24471107e-03 1.37129891e-14] [-6.98724013e-03 -6.98724013e-03 2.94729519e-14] [ 2.63885989e-03 6.02249122e-04 -2.32208920e-04] [-2.63885989e-03 -6.02249122e-04 -2.32208920e-04] [ 2.63885989e-03 6.02249122e-04 2.32208920e-04] [-2.63885989e-03 -6.02249122e-04 2.32208920e-04] [ 6.02249122e-04 2.63885989e-03 -2.32208920e-04] [ 6.02249122e-04 2.63885989e-03 2.32208920e-04] [-6.02249122e-04 -2.63885989e-03 -2.32208920e-04] [-6.02249122e-04 -2.63885989e-03 2.32208920e-04] [ 6.98724013e-03 6.98724013e-03 8.75199256e-14] [ 1.24471107e-03 -1.24471107e-03 7.42521516e-14] [-1.24471107e-03 1.24471107e-03 2.60463038e-14] [-6.98724013e-03 -6.98724013e-03 2.75530466e-14]] Final stress: [ 3.63192258e-04 3.63192258e-04 -6.92808804e-05 1.32875847e-17 -6.80988714e-17 4.30422586e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 8.86478124e-04 1.14696098e-03 2.93710369e-14] [-8.86478124e-04 -1.14696098e-03 -5.55111512e-15] [ 1.14696098e-03 8.86478124e-04 -1.22098512e-14] [-1.14696098e-03 -8.86478124e-04 -1.97064587e-15] [-2.30366941e-14 2.25921712e-14 5.59246959e-03] [ 2.17048601e-14 -4.96824804e-15 -5.59246959e-03] [ 8.86478124e-04 1.14696098e-03 -1.87063003e-14] [-8.86478124e-04 -1.14696098e-03 4.06539325e-15] [ 1.14696098e-03 8.86478124e-04 -3.96523449e-15] [-1.14696098e-03 -8.86478124e-04 -2.02199017e-16] [ 6.39462441e-15 -2.50841616e-14 5.59246959e-03] [-8.82497200e-15 -5.55350799e-16 -5.59246959e-03] [ 1.39327887e-03 1.39327887e-03 -4.67343865e-03] [-1.39327887e-03 -1.39327887e-03 -4.67343865e-03] [-1.98255046e-03 1.98255046e-03 -2.14649276e-03] [ 1.98255046e-03 -1.98255046e-03 -2.14649276e-03] [ 1.39327887e-03 1.39327887e-03 4.67343865e-03] [-1.39327887e-03 -1.39327887e-03 4.67343865e-03] [ 1.98255046e-03 -1.98255046e-03 2.14649276e-03] [-1.98255046e-03 1.98255046e-03 2.14649276e-03] [ 1.39327887e-03 1.39327887e-03 -4.67343865e-03] [-1.39327887e-03 -1.39327887e-03 -4.67343865e-03] [-1.98255046e-03 1.98255046e-03 -2.14649276e-03] [ 1.98255046e-03 -1.98255046e-03 -2.14649276e-03] [ 1.39327887e-03 1.39327887e-03 4.67343865e-03] [-1.39327887e-03 -1.39327887e-03 4.67343865e-03] [ 1.98255046e-03 -1.98255046e-03 2.14649276e-03] [-1.98255046e-03 1.98255046e-03 2.14649276e-03] [ 3.20299343e-14 -4.44366766e-14 7.14428516e-14] [ 5.20308623e-14 -1.80592413e-14 -2.44217682e-14] [-2.63895261e-03 6.02117827e-04 -2.31969291e-04] [ 2.63895261e-03 -6.02117827e-04 -2.31969291e-04] [-2.63895261e-03 6.02117827e-04 2.31969291e-04] [ 2.63895261e-03 -6.02117827e-04 2.31969291e-04] [ 6.02117827e-04 -2.63895261e-03 -2.31969291e-04] [ 6.02117827e-04 -2.63895261e-03 2.31969291e-04] [-6.02117827e-04 2.63895261e-03 -2.31969291e-04] [-6.02117827e-04 2.63895261e-03 2.31969291e-04] [-1.24463580e-03 -1.24463580e-03 1.11022302e-14] [-6.98719056e-03 6.98719056e-03 1.26964411e-14] [ 6.98719056e-03 -6.98719056e-03 -4.58955790e-14] [ 1.24463580e-03 1.24463580e-03 -3.15945187e-14] [-2.63895261e-03 6.02117827e-04 -2.31969291e-04] [ 2.63895261e-03 -6.02117827e-04 -2.31969291e-04] [-2.63895261e-03 6.02117827e-04 2.31969291e-04] [ 2.63895261e-03 -6.02117827e-04 2.31969291e-04] [ 6.02117827e-04 -2.63895261e-03 -2.31969291e-04] [ 6.02117827e-04 -2.63895261e-03 2.31969291e-04] [-6.02117827e-04 2.63895261e-03 -2.31969291e-04] [-6.02117827e-04 2.63895261e-03 2.31969291e-04] [-1.24463580e-03 -1.24463580e-03 8.74546538e-14] [-6.98719056e-03 6.98719056e-03 -1.96584014e-14] [ 6.98719056e-03 -6.98719056e-03 1.77853812e-14] [ 1.24463580e-03 1.24463580e-03 -1.63090028e-14]] Final stress: [ 3.63191385e-04 3.63191385e-04 -6.92817927e-05 1.99313770e-17 -1.82704289e-17 -4.30420528e-04] Minimization converged after 29 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-4.74443480e-04 -8.10649291e-14 9.88016093e-14] [ 4.74443483e-04 2.18047802e-13 -2.60541588e-13] [-4.56510264e-13 2.53916566e-04 -1.99126375e-04] [-1.45827794e-13 -2.53916567e-04 1.99126374e-04] [-5.69950337e-13 -1.99126375e-04 2.53916568e-04] [-4.96547248e-14 1.99126374e-04 -2.53916566e-04] [-4.74443482e-04 -1.95118661e-13 -1.63389986e-13] [ 4.74443481e-04 -2.09343827e-13 1.69753949e-13] [-1.25372802e-14 2.53916568e-04 -1.99126374e-04] [ 6.63147922e-13 -2.53916566e-04 1.99126374e-04] [ 9.34603957e-14 -1.99126374e-04 2.53916568e-04] [ 1.97153058e-13 1.99126374e-04 -2.53916567e-04] [-9.14929354e-05 1.92411560e-04 1.92411560e-04] [ 2.24795246e-04 -5.84700104e-04 5.84700103e-04] [ 2.24795247e-04 5.84700104e-04 -5.84700104e-04] [-9.14929366e-05 -1.92411559e-04 -1.92411559e-04] [-2.24795247e-04 5.84700103e-04 -5.84700103e-04] [ 9.14929362e-05 -1.92411559e-04 -1.92411558e-04] [-2.24795246e-04 -5.84700104e-04 5.84700102e-04] [ 9.14929355e-05 1.92411560e-04 1.92411560e-04] [-9.14929343e-05 1.92411559e-04 1.92411559e-04] [ 2.24795246e-04 -5.84700103e-04 5.84700102e-04] [ 2.24795247e-04 5.84700103e-04 -5.84700103e-04] [-9.14929347e-05 -1.92411559e-04 -1.92411559e-04] [-2.24795247e-04 5.84700104e-04 -5.84700104e-04] [ 9.14929357e-05 -1.92411559e-04 -1.92411559e-04] [-2.24795246e-04 -5.84700104e-04 5.84700105e-04] [ 9.14929360e-05 1.92411558e-04 1.92411558e-04] [-2.61896060e-12 1.23331900e-12 -5.40623102e-13] [ 3.38737718e-13 -1.69726371e-12 -2.02462013e-12] [ 2.39397391e-12 2.96827371e-04 2.96827332e-04] [ 3.24004018e-12 1.48275803e-05 -1.48276213e-05] [ 7.70494779e-13 -1.48275798e-05 1.48276206e-05] [ 1.31950353e-12 -2.96827374e-04 -2.96827328e-04] [ 2.36533104e-04 -3.54828319e-05 -4.48197568e-04] [ 2.36533107e-04 3.54828303e-05 4.48197571e-04] [-2.36533103e-04 -3.54828321e-05 -4.48197565e-04] [-2.36533104e-04 3.54828294e-05 4.48197567e-04] [ 2.36533147e-04 -4.48197612e-04 -3.54828292e-05] [-2.36533144e-04 -4.48197608e-04 -3.54828291e-05] [ 2.36533147e-04 4.48197611e-04 3.54828313e-05] [-2.36533143e-04 4.48197606e-04 3.54828327e-05] [-2.12629740e-12 2.96827332e-04 2.96827370e-04] [-2.27994837e-12 1.48276204e-05 -1.48275798e-05] [-2.43140664e-12 -1.48276211e-05 1.48275799e-05] [-1.66840066e-12 -2.96827328e-04 -2.96827373e-04] [ 2.36533147e-04 -3.54828297e-05 -4.48197608e-04] [ 2.36533142e-04 3.54828315e-05 4.48197605e-04] [-2.36533149e-04 -3.54828294e-05 -4.48197612e-04] [-2.36533147e-04 3.54828311e-05 4.48197611e-04] [ 2.36533102e-04 -4.48197565e-04 -3.54828315e-05] [-2.36533105e-04 -4.48197569e-04 -3.54828327e-05] [ 2.36533104e-04 4.48197568e-04 3.54828313e-05] [-2.36533106e-04 4.48197570e-04 3.54828297e-05]] Final stress: [-1.93824657e-05 1.70171888e-06 1.70171888e-06 8.83597266e-04 -9.01094850e-16 -1.65422394e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-5.11539617e-04 2.03921949e-13 2.71267384e-14] [ 5.11539618e-04 -2.48495668e-13 6.83619827e-14] [ 3.53109035e-13 2.32984706e-04 -4.69902195e-06] [ 7.63000774e-14 -2.32984707e-04 4.69902155e-06] [ 1.87067809e-13 -4.69902194e-06 2.32984706e-04] [-1.14797061e-13 4.69902157e-06 -2.32984705e-04] [-5.11539618e-04 -3.49102258e-13 4.16203348e-13] [ 5.11539615e-04 -1.30524931e-14 1.72627158e-13] [-1.11607338e-13 2.32984706e-04 -4.69902217e-06] [ 6.11598445e-13 -2.32984706e-04 4.69902132e-06] [-5.21775331e-13 -4.69902142e-06 2.32984707e-04] [-2.58664618e-14 4.69902091e-06 -2.32984706e-04] [-1.75859396e-04 3.75922900e-04 3.75922900e-04] [ 9.59931152e-05 -4.06770121e-04 4.06770122e-04] [ 9.59931149e-05 4.06770122e-04 -4.06770123e-04] [-1.75859397e-04 -3.75922900e-04 -3.75922900e-04] [-9.59931152e-05 4.06770121e-04 -4.06770121e-04] [ 1.75859397e-04 -3.75922900e-04 -3.75922900e-04] [-9.59931146e-05 -4.06770121e-04 4.06770121e-04] [ 1.75859396e-04 3.75922901e-04 3.75922901e-04] [-1.75859397e-04 3.75922901e-04 3.75922901e-04] [ 9.59931147e-05 -4.06770122e-04 4.06770122e-04] [ 9.59931146e-05 4.06770121e-04 -4.06770121e-04] [-1.75859398e-04 -3.75922900e-04 -3.75922901e-04] [-9.59931155e-05 4.06770122e-04 -4.06770122e-04] [ 1.75859397e-04 -3.75922900e-04 -3.75922900e-04] [-9.59931143e-05 -4.06770122e-04 4.06770122e-04] [ 1.75859397e-04 3.75922901e-04 3.75922900e-04] [ 1.41969769e-13 1.77746706e-13 -1.36121669e-12] [ 1.19237042e-12 -4.23853621e-13 -1.51172496e-12] [ 3.22408766e-12 1.18310620e-04 1.18310653e-04] [ 1.98503020e-12 -2.14211847e-04 2.14211877e-04] [ 1.82118036e-12 2.14211849e-04 -2.14211876e-04] [ 3.43501096e-12 -1.18310626e-04 -1.18310647e-04] [-1.13598123e-04 -6.01733252e-05 -1.12077407e-04] [-1.13598122e-04 6.01733229e-05 1.12077407e-04] [ 1.13598127e-04 -6.01733267e-05 -1.12077402e-04] [ 1.13598126e-04 6.01733227e-05 1.12077403e-04] [-1.13598148e-04 -1.12077382e-04 -6.01733230e-05] [ 1.13598152e-04 -1.12077378e-04 -6.01733233e-05] [-1.13598153e-04 1.12077377e-04 6.01733259e-05] [ 1.13598155e-04 1.12077375e-04 6.01733250e-05] [-1.49235355e-12 1.18310653e-04 1.18310621e-04] [-2.13994577e-12 -2.14211875e-04 2.14211850e-04] [-1.96583722e-12 2.14211877e-04 -2.14211847e-04] [-2.14971747e-12 -1.18310647e-04 -1.18310627e-04] [-1.13598152e-04 -6.01733234e-05 -1.12077378e-04] [-1.13598155e-04 6.01733248e-05 1.12077374e-04] [ 1.13598149e-04 -6.01733222e-05 -1.12077381e-04] [ 1.13598152e-04 6.01733258e-05 1.12077378e-04] [-1.13598128e-04 -1.12077401e-04 -6.01733259e-05] [ 1.13598123e-04 -1.12077407e-04 -6.01733242e-05] [-1.13598125e-04 1.12077404e-04 6.01733239e-05] [ 1.13598120e-04 1.12077409e-04 6.01733222e-05]] Final stress: [-1.84728496e-05 1.06531652e-06 1.06531652e-06 -8.83217420e-04 -3.45807618e-16 -3.34169861e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.31758518e-04 3.95887634e-04 2.46290993e-04] [-3.31758529e-04 -3.95887632e-04 -2.46290992e-04] [ 3.95887634e-04 3.31758528e-04 2.46290993e-04] [-3.95887633e-04 -3.31758519e-04 -2.46290995e-04] [ 5.42244646e-05 5.42244651e-05 -2.78388472e-04] [-5.42244660e-05 -5.42244649e-05 2.78388472e-04] [ 3.31758529e-04 3.95887634e-04 2.46290994e-04] [-3.31758515e-04 -3.95887632e-04 -2.46290992e-04] [ 3.95887633e-04 3.31758522e-04 2.46290992e-04] [-3.95887634e-04 -3.31758525e-04 -2.46290992e-04] [ 5.42244652e-05 5.42244663e-05 -2.78388471e-04] [-5.42244661e-05 -5.42244671e-05 2.78388471e-04] [-4.14703792e-04 -4.14703787e-04 5.12523513e-06] [ 2.93103582e-04 2.93103581e-04 1.32755671e-04] [-3.10582294e-04 -5.51237962e-05 8.24934177e-05] [-5.51237880e-05 -3.10582298e-04 8.24934136e-05] [-2.93103579e-04 -2.93103578e-04 -1.32755673e-04] [ 4.14703791e-04 4.14703793e-04 -5.12523238e-06] [ 3.10582300e-04 5.51237906e-05 -8.24934122e-05] [ 5.51237932e-05 3.10582296e-04 -8.24934191e-05] [-4.14703791e-04 -4.14703793e-04 5.12523283e-06] [ 2.93103579e-04 2.93103578e-04 1.32755672e-04] [-3.10582299e-04 -5.51237904e-05 8.24934127e-05] [-5.51237917e-05 -3.10582294e-04 8.24934172e-05] [-2.93103580e-04 -2.93103580e-04 -1.32755669e-04] [ 4.14703790e-04 4.14703790e-04 -5.12523538e-06] [ 3.10582295e-04 5.51237951e-05 -8.24934197e-05] [ 5.51237902e-05 3.10582299e-04 -8.24934112e-05] [ 6.62184196e-12 -5.97624727e-12 1.03145270e-12] [-9.85856405e-12 2.64194571e-12 -8.72766485e-13] [ 1.96738675e-04 6.91664189e-05 1.95387171e-04] [-1.73736565e-04 -3.51394759e-04 -8.41250156e-05] [ 1.73736533e-04 3.51394762e-04 8.41250198e-05] [-1.96738707e-04 -6.91664244e-05 -1.95387165e-04] [ 6.91662275e-05 1.96738688e-04 1.95387363e-04] [ 3.51394564e-04 1.73736545e-04 8.41248196e-05] [-3.51394596e-04 -1.73736545e-04 -8.41248604e-05] [-6.91662566e-05 -1.96738687e-04 -1.95387329e-04] [-2.03640563e-04 -2.03640715e-04 -3.75796628e-05] [-1.73653192e-04 1.73652999e-04 9.96895275e-13] [ 1.73653180e-04 -1.73653017e-04 1.58062799e-13] [ 2.03640525e-04 2.03640754e-04 3.75796621e-05] [ 1.96738708e-04 6.91662340e-05 1.95387356e-04] [-1.73736534e-04 -3.51394583e-04 -8.41248423e-05] [ 1.73736564e-04 3.51394578e-04 8.41248364e-05] [-1.96738676e-04 -6.91662448e-05 -1.95387343e-04] [ 6.91664379e-05 1.96738682e-04 1.95387149e-04] [ 3.51394771e-04 1.73736541e-04 8.41250324e-05] [-3.51394752e-04 -1.73736551e-04 -8.41250073e-05] [-6.91664084e-05 -1.96738693e-04 -1.95387183e-04] [-2.03640710e-04 -2.03640570e-04 -3.75796622e-05] [-1.73652987e-04 1.73653210e-04 1.59776706e-14] [ 1.73653024e-04 -1.73653168e-04 -1.44568689e-12] [ 2.03640737e-04 2.03640535e-04 3.75796611e-05]] Final stress: [-9.23239046e-06 -9.23239045e-06 8.98452349e-06 4.41391018e-04 4.41391018e-04 3.30799374e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.52467083e-04 -4.30771132e-04 -9.14091404e-05] [-3.52467088e-04 4.30771133e-04 9.14091461e-05] [-4.30771130e-04 3.52467088e-04 9.14091432e-05] [ 4.30771133e-04 -3.52467086e-04 -9.14091470e-05] [ 1.13592111e-04 -1.13592112e-04 -2.75666118e-04] [-1.13592109e-04 1.13592112e-04 2.75666108e-04] [ 3.52467093e-04 -4.30771131e-04 -9.14091448e-05] [-3.52467085e-04 4.30771132e-04 9.14091448e-05] [-4.30771133e-04 3.52467080e-04 9.14091435e-05] [ 4.30771134e-04 -3.52467086e-04 -9.14091445e-05] [ 1.13592110e-04 -1.13592111e-04 -2.75666112e-04] [-1.13592112e-04 1.13592109e-04 2.75666115e-04] [ 1.04920207e-04 1.60090544e-04 -9.09658398e-05] [-1.60090538e-04 -1.04920208e-04 -9.09658421e-05] [ 3.80149541e-04 -3.80149547e-04 -2.35585024e-04] [-3.59374777e-04 3.59374781e-04 8.36052158e-05] [ 1.60090541e-04 1.04920204e-04 9.09658405e-05] [-1.04920209e-04 -1.60090537e-04 9.09658433e-05] [-3.80149538e-04 3.80149538e-04 2.35585027e-04] [ 3.59374779e-04 -3.59374778e-04 -8.36052184e-05] [ 1.04920202e-04 1.60090537e-04 -9.09658408e-05] [-1.60090541e-04 -1.04920208e-04 -9.09658435e-05] [ 3.80149538e-04 -3.80149537e-04 -2.35585029e-04] [-3.59374780e-04 3.59374777e-04 8.36052163e-05] [ 1.60090540e-04 1.04920205e-04 9.09658408e-05] [-1.04920212e-04 -1.60090543e-04 9.09658383e-05] [-3.80149545e-04 3.80149542e-04 2.35585022e-04] [ 3.59374779e-04 -3.59374779e-04 -8.36052162e-05] [ 6.03581074e-12 -5.92137450e-13 1.07344689e-11] [-6.05310116e-12 3.68690131e-12 -2.98861582e-12] [-1.96625649e-04 3.29437758e-06 3.60709444e-04] [ 1.98100866e-04 -2.29429148e-04 -1.68048164e-05] [-1.98100893e-04 2.29429133e-04 1.68048064e-05] [ 1.96625632e-04 -3.29436310e-06 -3.60709448e-04] [ 2.29428878e-04 -1.98100872e-04 -1.68045430e-05] [ 3.29410037e-06 -1.96625628e-04 -3.60709724e-04] [-3.29413222e-06 1.96625633e-04 3.60709684e-04] [-2.29428899e-04 1.98100875e-04 1.68045697e-05] [ 1.79364339e-04 1.79364088e-04 -1.30440103e-12] [ 2.24395700e-04 -2.24395974e-04 -6.32940114e-05] [-2.24395722e-04 2.24395950e-04 6.32940042e-05] [-1.79364345e-04 -1.79364075e-04 -5.69840529e-12] [-1.96625620e-04 3.29411440e-06 3.60709706e-04] [ 1.98100885e-04 -2.29428883e-04 -1.68045534e-05] [-1.98100864e-04 2.29428895e-04 1.68045618e-05] [ 1.96625644e-04 -3.29411559e-06 -3.60709705e-04] [ 2.29429142e-04 -1.98100879e-04 -1.68048141e-05] [ 3.29438605e-06 -1.96625636e-04 -3.60709431e-04] [-3.29436124e-06 1.96625643e-04 3.60709457e-04] [-2.29429135e-04 1.98100881e-04 1.68048049e-05] [ 1.79364093e-04 1.79364325e-04 3.49033273e-12] [ 2.24395974e-04 -2.24395698e-04 -6.32939983e-05] [-2.24395947e-04 2.24395729e-04 6.32940130e-05] [-1.79364066e-04 -1.79364361e-04 4.62407499e-12]] Final stress: [-9.53244206e-06 -9.53244206e-06 9.17882144e-06 4.41721832e-04 -4.41721832e-04 -3.57180112e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.35636995e-04 -4.43424974e-04 9.53208244e-05] [-3.35637011e-04 4.43424974e-04 -9.53208255e-05] [-4.43424972e-04 3.35637009e-04 -9.53208252e-05] [ 4.43424976e-04 -3.35636998e-04 9.53208252e-05] [-1.08011403e-04 1.08011401e-04 -2.65099258e-04] [ 1.08011400e-04 -1.08011403e-04 2.65099250e-04] [ 3.35637009e-04 -4.43424973e-04 9.53208253e-05] [-3.35637000e-04 4.43424975e-04 -9.53208265e-05] [-4.43424973e-04 3.35636994e-04 -9.53208253e-05] [ 4.43424974e-04 -3.35637009e-04 9.53208268e-05] [-1.08011404e-04 1.08011401e-04 -2.65099251e-04] [ 1.08011402e-04 -1.08011402e-04 2.65099256e-04] [ 1.72917045e-04 8.51734161e-05 -4.42579507e-05] [-8.51734195e-05 -1.72917046e-04 -4.42579504e-05] [ 2.94201998e-04 -2.94201999e-04 3.23474430e-05] [-3.97762681e-04 3.97762682e-04 -1.67452035e-04] [ 8.51734148e-05 1.72917044e-04 4.42579495e-05] [-1.72917044e-04 -8.51734157e-05 4.42579503e-05] [-2.94201991e-04 2.94201993e-04 -3.23474322e-05] [ 3.97762686e-04 -3.97762684e-04 1.67452025e-04] [ 1.72917045e-04 8.51734134e-05 -4.42579534e-05] [-8.51734151e-05 -1.72917046e-04 -4.42579504e-05] [ 2.94201992e-04 -2.94201990e-04 3.23474334e-05] [-3.97762687e-04 3.97762687e-04 -1.67452027e-04] [ 8.51734158e-05 1.72917046e-04 4.42579496e-05] [-1.72917045e-04 -8.51734190e-05 4.42579513e-05] [-2.94201998e-04 2.94202000e-04 -3.23474430e-05] [ 3.97762681e-04 -3.97762679e-04 1.67452033e-04] [ 1.35595424e-11 -6.88760160e-12 4.85025908e-12] [-7.27351729e-12 1.16821384e-11 -2.83908865e-12] [-1.83996275e-04 2.61407619e-04 -2.89822282e-05] [ 2.11192809e-04 -2.08862342e-05 3.12526570e-04] [-2.11192833e-04 2.08862391e-05 -3.12526559e-04] [ 1.83996252e-04 -2.61407589e-04 2.89821948e-05] [ 2.08863386e-05 -2.11192815e-04 3.12526471e-04] [ 2.61407694e-04 -1.83996250e-04 2.89822977e-05] [-2.61407725e-04 1.83996272e-04 -2.89823341e-05] [-2.08863434e-05 2.11192842e-04 -3.12526455e-04] [ 2.16551033e-04 2.16551182e-04 2.45359288e-13] [ 2.65578532e-04 -2.65578420e-04 4.66929580e-05] [-2.65578522e-04 2.65578424e-04 -4.66929667e-05] [-2.16551083e-04 -2.16551137e-04 -6.62367904e-12] [-1.83996249e-04 2.61407690e-04 -2.89822953e-05] [ 2.11192838e-04 -2.08863479e-05 3.12526451e-04] [-2.11192811e-04 2.08863353e-05 -3.12526472e-04] [ 1.83996270e-04 -2.61407724e-04 2.89823339e-05] [ 2.08862382e-05 -2.11192842e-04 3.12526564e-04] [ 2.61407623e-04 -1.83996272e-04 2.89822327e-05] [-2.61407594e-04 1.83996247e-04 -2.89822002e-05] [-2.08862279e-05 2.11192815e-04 -3.12526576e-04] [ 2.16551182e-04 2.16551034e-04 5.79224189e-12] [ 2.65578424e-04 -2.65578521e-04 4.66929726e-05] [-2.65578424e-04 2.65578528e-04 -4.66929571e-05] [-2.16551143e-04 -2.16551076e-04 8.63880191e-12]] Final stress: [-9.63759622e-06 -9.63759622e-06 9.16700315e-06 -4.41690411e-04 4.41690411e-04 -3.55428444e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.32731572e-04 4.44111520e-04 -8.91818467e-05] [-3.32731577e-04 -4.44111522e-04 8.91818484e-05] [ 4.44111519e-04 3.32731577e-04 -8.91818472e-05] [-4.44111519e-04 -3.32731567e-04 8.91818467e-05] [ 1.13677388e-04 1.13677388e-04 -2.63337556e-04] [-1.13677387e-04 -1.13677386e-04 2.63337550e-04] [ 3.32731573e-04 4.44111520e-04 -8.91818485e-05] [-3.32731571e-04 -4.44111518e-04 8.91818489e-05] [ 4.44111520e-04 3.32731565e-04 -8.91818483e-05] [-4.44111521e-04 -3.32731575e-04 8.91818477e-05] [ 1.13677389e-04 1.13677389e-04 -2.63337549e-04] [-1.13677388e-04 -1.13677388e-04 2.63337553e-04] [-3.98497546e-04 -3.98497546e-04 1.52759595e-04] [ 2.85542634e-04 2.85542636e-04 -1.93121387e-05] [-7.54579382e-05 1.80651424e-04 3.78008838e-05] [ 1.80651428e-04 -7.54579423e-05 3.78008781e-05] [-2.85542638e-04 -2.85542639e-04 1.93121445e-05] [ 3.98497545e-04 3.98497549e-04 -1.52759598e-04] [ 7.54579443e-05 -1.80651431e-04 -3.78008772e-05] [-1.80651427e-04 7.54579411e-05 -3.78008826e-05] [-3.98497548e-04 -3.98497547e-04 1.52759596e-04] [ 2.85542637e-04 2.85542637e-04 -1.93121462e-05] [-7.54579449e-05 1.80651431e-04 3.78008776e-05] [ 1.80651428e-04 -7.54579401e-05 3.78008834e-05] [-2.85542634e-04 -2.85542632e-04 1.93121433e-05] [ 3.98497547e-04 3.98497546e-04 -1.52759598e-04] [ 7.54579377e-05 -1.80651426e-04 -3.78008867e-05] [-1.80651430e-04 7.54579405e-05 -3.78008805e-05] [ 3.66212616e-12 -7.58063057e-12 7.07817138e-12] [-2.16680059e-12 9.24586533e-12 -4.50802217e-12] [ 1.77360714e-04 2.54767778e-04 -4.43839747e-05] [-2.17379039e-04 -3.67408265e-05 3.15843112e-04] [ 2.17379033e-04 3.67408278e-05 -3.15843101e-04] [-1.77360717e-04 -2.54767755e-04 4.43839487e-05] [ 2.54767689e-04 1.77360721e-04 -4.43838801e-05] [ 3.67407415e-05 2.17379038e-04 -3.15843195e-04] [-3.67407560e-05 -2.17379023e-04 3.15843178e-04] [-2.54767694e-04 -1.77360703e-04 4.43838888e-05] [-2.71033971e-04 -2.71034022e-04 3.56278092e-05] [-2.21275824e-04 2.21275754e-04 -3.46723344e-12] [ 2.21275837e-04 -2.21275745e-04 -2.55078771e-12] [ 2.71033946e-04 2.71034046e-04 -3.56278150e-05] [ 1.77360715e-04 2.54767682e-04 -4.43838770e-05] [-2.17379028e-04 -3.67407503e-05 3.15843179e-04] [ 2.17379039e-04 3.67407390e-05 -3.15843195e-04] [-1.77360704e-04 -2.54767700e-04 4.43838980e-05] [ 2.54767767e-04 1.77360701e-04 -4.43839636e-05] [ 3.67408307e-05 2.17379028e-04 -3.15843102e-04] [-3.67408168e-05 -2.17379048e-04 3.15843115e-04] [-2.54767772e-04 -1.77360723e-04 4.43839671e-05] [-2.71034020e-04 -2.71033969e-04 3.56278222e-05] [-2.21275754e-04 2.21275829e-04 6.10409726e-12] [ 2.21275747e-04 -2.21275833e-04 3.99135065e-12] [ 2.71034042e-04 2.71033948e-04 -3.56278149e-05]] Final stress: [-9.64741225e-06 -9.64741225e-06 9.16124616e-06 -4.41533017e-04 -4.41533017e-04 3.54206868e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.53303302e-04 8.79832977e-05 4.31840767e-04] [-3.53303315e-04 -8.79832994e-05 -4.31840770e-04] [-1.16957408e-04 -2.71981100e-04 -1.16957408e-04] [ 1.16957408e-04 2.71981112e-04 1.16957406e-04] [ 4.31840767e-04 8.79832973e-05 3.53303305e-04] [-4.31840767e-04 -8.79832968e-05 -3.53303311e-04] [ 3.53303307e-04 8.79832972e-05 4.31840768e-04] [-3.53303309e-04 -8.79832969e-05 -4.31840768e-04] [-1.16957405e-04 -2.71981106e-04 -1.16957407e-04] [ 1.16957409e-04 2.71981105e-04 1.16957409e-04] [ 4.31840766e-04 8.79832969e-05 3.53303301e-04] [-4.31840770e-04 -8.79832971e-05 -3.53303314e-04] [-3.80667134e-04 -1.10631343e-04 -3.80667133e-04] [-1.51106381e-04 9.41448413e-05 1.11396970e-04] [ 3.58917313e-04 2.66304753e-04 3.58917314e-04] [ 1.11396972e-04 9.41448332e-05 -1.51106385e-04] [ 1.51106383e-04 -9.41448371e-05 -1.11396972e-04] [ 3.80667127e-04 1.10631341e-04 3.80667130e-04] [-3.58917315e-04 -2.66304750e-04 -3.58917315e-04] [-1.11396968e-04 -9.41448421e-05 1.51106382e-04] [-3.80667132e-04 -1.10631344e-04 -3.80667128e-04] [-1.51106381e-04 9.41448387e-05 1.11396970e-04] [ 3.58917312e-04 2.66304755e-04 3.58917312e-04] [ 1.11396969e-04 9.41448413e-05 -1.51106379e-04] [ 1.51106380e-04 -9.41448397e-05 -1.11396972e-04] [ 3.80667132e-04 1.10631340e-04 3.80667134e-04] [-3.58917317e-04 -2.66304748e-04 -3.58917316e-04] [-1.11396975e-04 -9.41448358e-05 1.51106386e-04] [ 9.63656932e-12 -1.10916554e-11 2.23154828e-12] [ 2.15865954e-12 3.56730627e-13 1.54993366e-11] [ 1.88964219e-04 3.80410699e-04 1.46194109e-06] [ 2.02093603e-04 1.50832048e-05 2.09642666e-04] [-2.02093612e-04 -1.50832108e-05 -2.09642669e-04] [-1.88964227e-04 -3.80410682e-04 -1.46196176e-06] [-2.23753175e-04 -7.49047368e-05 -2.23753206e-04] [ 1.76762340e-04 4.61765348e-12 -1.76762304e-04] [-1.76762359e-04 4.67764889e-12 1.76762280e-04] [ 2.23753163e-04 7.49047420e-05 2.23753224e-04] [ 1.46189326e-06 3.80410753e-04 1.88964222e-04] [-2.09642630e-04 -1.50831715e-05 -2.02093604e-04] [ 2.09642621e-04 1.50831576e-05 2.02093601e-04] [-1.46191574e-06 -3.80410727e-04 -1.88964229e-04] [ 1.88964231e-04 3.80410731e-04 1.46191118e-06] [ 2.02093617e-04 1.50831571e-05 2.09642616e-04] [-2.02093598e-04 -1.50831581e-05 -2.09642619e-04] [-1.88964204e-04 -3.80410740e-04 -1.46190021e-06] [-2.23753212e-04 -7.49047412e-05 -2.23753170e-04] [ 1.76762313e-04 -2.93191502e-12 -1.76762331e-04] [-1.76762287e-04 -5.21404361e-12 1.76762354e-04] [ 2.23753216e-04 7.49047308e-05 2.23753171e-04] [ 1.46196172e-06 3.80410678e-04 1.88964230e-04] [-2.09642669e-04 -1.50832055e-05 -2.02093605e-04] [ 2.09642674e-04 1.50832165e-05 2.02093611e-04] [-1.46194373e-06 -3.80410701e-04 -1.88964221e-04]] Final stress: [-9.49673594e-06 9.14708820e-06 -9.49673593e-06 4.41712975e-04 3.58469970e-06 4.41712975e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 3.20732936e-04 -1.10394885e-04 -4.36443591e-04] [-3.20732947e-04 1.10394886e-04 4.36443591e-04] [ 9.19028062e-05 -2.48151107e-04 -9.19028069e-05] [-9.19028063e-05 2.48151119e-04 9.19028056e-05] [-4.36443591e-04 1.10394885e-04 3.20732935e-04] [ 4.36443591e-04 -1.10394885e-04 -3.20732943e-04] [ 3.20732942e-04 -1.10394885e-04 -4.36443591e-04] [-3.20732936e-04 1.10394886e-04 4.36443591e-04] [ 9.19028071e-05 -2.48151112e-04 -9.19028063e-05] [-9.19028059e-05 2.48151110e-04 9.19028070e-05] [-4.36443593e-04 1.10394885e-04 3.20732935e-04] [ 4.36443591e-04 -1.10394885e-04 -3.20732943e-04] [ 7.08751917e-05 -2.18647246e-05 1.67976696e-04] [ 3.41756468e-04 -2.02566426e-04 -3.41756470e-04] [-1.67976694e-04 -2.18647267e-05 -7.08751933e-05] [-3.08673165e-04 5.32062062e-05 3.08673165e-04] [-3.41756467e-04 2.02566428e-04 3.41756465e-04] [-7.08751937e-05 2.18647265e-05 -1.67976696e-04] [ 1.67976695e-04 2.18647233e-05 7.08751948e-05] [ 3.08673170e-04 -5.32062103e-05 -3.08673169e-04] [ 7.08751928e-05 -2.18647273e-05 1.67976696e-04] [ 3.41756468e-04 -2.02566426e-04 -3.41756469e-04] [-1.67976699e-04 -2.18647214e-05 -7.08751970e-05] [-3.08673168e-04 5.32062101e-05 3.08673170e-04] [-3.41756467e-04 2.02566424e-04 3.41756466e-04] [-7.08751933e-05 2.18647249e-05 -1.67976696e-04] [ 1.67976693e-04 2.18647301e-05 7.08751899e-05] [ 3.08673164e-04 -5.32062070e-05 -3.08673164e-04] [ 9.31196786e-12 -9.57234292e-12 5.25998689e-12] [-5.22585360e-12 -1.18836853e-12 8.43790570e-12] [-1.99605196e-04 2.78022006e-04 4.07460589e-05] [-1.63160631e-04 3.13741172e-05 2.66421334e-04] [ 1.63160616e-04 -3.13741164e-05 -2.66421325e-04] [ 1.99605185e-04 -2.78021970e-04 -4.07460924e-05] [ 2.15608414e-04 8.48365822e-12 2.15608356e-04] [-2.75765388e-04 7.31583214e-05 2.75765410e-04] [ 2.75765354e-04 -7.31583011e-05 -2.75765445e-04] [-2.15608414e-04 1.08695657e-11 -2.15608352e-04] [ 2.66421257e-04 -3.13740442e-05 -1.63160627e-04] [-4.07460132e-05 2.78022046e-04 1.99605189e-04] [ 4.07460248e-05 -2.78022042e-04 -1.99605199e-04] [-2.66421291e-04 3.13740779e-05 1.63160621e-04] [-1.99605182e-04 2.78022025e-04 4.07460375e-05] [-1.63160613e-04 3.13740570e-05 2.66421265e-04] [ 1.63160634e-04 -3.13740631e-05 -2.66421274e-04] [ 1.99605200e-04 -2.78022059e-04 -4.07460016e-05] [ 2.15608358e-04 -1.17678976e-11 2.15608411e-04] [-2.75765416e-04 7.31583003e-05 2.75765382e-04] [ 2.75765439e-04 -7.31583193e-05 -2.75765358e-04] [-2.15608359e-04 -1.17703148e-11 -2.15608411e-04] [ 2.66421348e-04 -3.13741359e-05 -1.63160617e-04] [-4.07460807e-05 2.78021987e-04 1.99605202e-04] [ 4.07460728e-05 -2.78021988e-04 -1.99605184e-04] [-2.66421312e-04 3.13741001e-05 1.63160635e-04]] Final stress: [-9.65764938e-06 9.24004556e-06 -9.65764937e-06 4.41730016e-04 -3.43330704e-06 -4.41730016e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.56562740e-04 1.27413549e-04 -4.32316557e-04] [-3.56562756e-04 -1.27413549e-04 4.32316558e-04] [-7.39143827e-05 -2.44532330e-04 7.39143825e-05] [ 7.39143820e-05 2.44532341e-04 -7.39143827e-05] [-4.32316557e-04 -1.27413551e-04 3.56562742e-04] [ 4.32316559e-04 1.27413549e-04 -3.56562753e-04] [ 3.56562749e-04 1.27413548e-04 -4.32316558e-04] [-3.56562744e-04 -1.27413548e-04 4.32316557e-04] [-7.39143818e-05 -2.44532341e-04 7.39143800e-05] [ 7.39143804e-05 2.44532332e-04 -7.39143817e-05] [-4.32316557e-04 -1.27413547e-04 3.56562753e-04] [ 4.32316557e-04 1.27413548e-04 -3.56562745e-04] [ 1.28715241e-04 -1.18788810e-04 1.10964610e-04] [ 5.91750668e-04 3.16899628e-04 -5.91750667e-04] [-1.10964606e-04 -1.18788820e-04 -1.28715237e-04] [-1.43293060e-04 -5.01156955e-04 1.43293061e-04] [-5.91750674e-04 -3.16899630e-04 5.91750672e-04] [-1.28715240e-04 1.18788818e-04 -1.10964610e-04] [ 1.10964614e-04 1.18788810e-04 1.28715244e-04] [ 1.43293064e-04 5.01156952e-04 -1.43293064e-04] [ 1.28715238e-04 -1.18788816e-04 1.10964608e-04] [ 5.91750674e-04 3.16899628e-04 -5.91750672e-04] [-1.10964616e-04 -1.18788810e-04 -1.28715245e-04] [-1.43293064e-04 -5.01156949e-04 1.43293065e-04] [-5.91750669e-04 -3.16899625e-04 5.91750672e-04] [-1.28715242e-04 1.18788814e-04 -1.10964613e-04] [ 1.10964606e-04 1.18788819e-04 1.28715232e-04] [ 1.43293058e-04 5.01156955e-04 -1.43293060e-04] [ 1.23878130e-11 -1.20401467e-11 8.46239745e-12] [-3.92449094e-12 9.31020017e-12 -7.90345314e-12] [-2.29053095e-04 -2.53473384e-05 1.11136277e-04] [-1.25546570e-04 -4.66016393e-04 9.78926209e-06] [ 1.25546544e-04 4.66016384e-04 -9.78926522e-06] [ 2.29053066e-04 2.53473565e-05 -1.11136296e-04] [ 1.54973791e-04 4.76940709e-12 1.54973782e-04] [-2.11799066e-04 -1.65266262e-04 2.11799041e-04] [ 2.11799022e-04 1.65266275e-04 -2.11799086e-04] [-1.54973803e-04 3.22696557e-12 -1.54973761e-04] [ 9.78921423e-06 4.66016437e-04 -1.25546565e-04] [-1.11136260e-04 -2.53473302e-05 2.29053081e-04] [ 1.11136254e-04 2.53473123e-05 -2.29053085e-04] [-9.78926504e-06 -4.66016384e-04 1.25546551e-04] [-2.29053065e-04 -2.53473350e-05 1.11136272e-04] [-1.25546538e-04 -4.66016410e-04 9.78923839e-06] [ 1.25546568e-04 4.66016406e-04 -9.78924715e-06] [ 2.29053101e-04 2.53473050e-05 -1.11136243e-04] [ 1.54973780e-04 -9.38341802e-12 1.54973784e-04] [-2.11799049e-04 -1.65266272e-04 2.11799062e-04] [ 2.11799087e-04 1.65266251e-04 -2.11799020e-04] [-1.54973762e-04 -5.90577327e-12 -1.54973808e-04] [ 9.78928210e-06 4.66016368e-04 -1.25546542e-04] [-1.11136270e-04 -2.53473289e-05 2.29053096e-04] [ 1.11136291e-04 2.53473571e-05 -2.29053081e-04] [-9.78925179e-06 -4.66016400e-04 1.25546563e-04]] Final stress: [-9.16263453e-06 8.94108645e-06 -9.16263454e-06 -4.41644978e-04 -3.64540746e-06 4.41644978e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.51092265e-04 -8.10922341e-05 4.39275016e-04] [-3.51092265e-04 8.10922317e-05 -4.39275017e-04] [ 1.23212421e-04 -2.58860269e-04 1.23212422e-04] [-1.23212421e-04 2.58860280e-04 -1.23212421e-04] [ 4.39275017e-04 -8.10922322e-05 3.51092262e-04] [-4.39275018e-04 8.10922328e-05 -3.51092265e-04] [ 3.51092260e-04 -8.10922326e-05 4.39275017e-04] [-3.51092269e-04 8.10922321e-05 -4.39275017e-04] [ 1.23212419e-04 -2.58860271e-04 1.23212421e-04] [-1.23212420e-04 2.58860270e-04 -1.23212420e-04] [ 4.39275017e-04 -8.10922326e-05 3.51092266e-04] [-4.39275017e-04 8.10922344e-05 -3.51092263e-04] [-3.04037027e-04 3.36754892e-04 -3.04037027e-04] [-1.27429550e-04 8.85431507e-05 1.25791799e-04] [ 4.21472992e-04 -1.75284051e-04 4.21472991e-04] [ 1.25791796e-04 8.85431536e-05 -1.27429548e-04] [ 1.27429547e-04 -8.85431549e-05 -1.25791794e-04] [ 3.04037026e-04 -3.36754894e-04 3.04037023e-04] [-4.21472992e-04 1.75284049e-04 -4.21472991e-04] [-1.25791798e-04 -8.85431527e-05 1.27429551e-04] [-3.04037022e-04 3.36754894e-04 -3.04037024e-04] [-1.27429547e-04 8.85431579e-05 1.25791795e-04] [ 4.21472988e-04 -1.75284049e-04 4.21472990e-04] [ 1.25791797e-04 8.85431545e-05 -1.27429549e-04] [ 1.27429554e-04 -8.85431515e-05 -1.25791800e-04] [ 3.04037027e-04 -3.36754890e-04 3.04037027e-04] [-4.21472996e-04 1.75284050e-04 -4.21472994e-04] [-1.25791798e-04 -8.85431529e-05 1.27429551e-04] [-2.09693374e-12 -1.27641231e-11 1.43007828e-12] [ 8.70094101e-12 -3.81227266e-13 -2.32190372e-12] [ 2.08308404e-04 -1.61014191e-05 1.77015057e-04] [ 1.72960638e-04 -4.07336214e-04 3.60981370e-06] [-1.72960632e-04 4.07336220e-04 -3.60980281e-06] [-2.08308399e-04 1.61014553e-05 -1.77015096e-04] [-2.34302010e-04 1.00860233e-04 -2.34301932e-04] [ 1.81565989e-04 1.16126813e-11 -1.81566092e-04] [-1.81566006e-04 7.18546576e-12 1.81566078e-04] [ 2.34302023e-04 -1.00860209e-04 2.34301923e-04] [ 1.77015152e-04 -1.61015150e-05 2.08308396e-04] [-3.60988661e-06 4.07336136e-04 -1.72960641e-04] [ 3.60991467e-06 -4.07336113e-04 1.72960623e-04] [-1.77015172e-04 1.61015288e-05 -2.08308408e-04] [ 2.08308400e-04 -1.61015400e-05 1.77015180e-04] [ 1.72960633e-04 -4.07336127e-04 3.60989333e-06] [-1.72960631e-04 4.07336123e-04 -3.60990358e-06] [-2.08308403e-04 1.61015055e-05 -1.77015144e-04] [-2.34301935e-04 1.00860204e-04 -2.34302006e-04] [ 1.81566093e-04 -7.64023762e-12 -1.81565996e-04] [-1.81566081e-04 -1.20281220e-11 1.81566004e-04] [ 2.34301915e-04 -1.00860228e-04 2.34302027e-04] [ 1.77015086e-04 -1.61014430e-05 2.08308410e-04] [-3.60982499e-06 4.07336203e-04 -1.72960624e-04] [ 3.60980182e-06 -4.07336222e-04 1.72960637e-04] [-1.77015059e-04 1.61014193e-05 -2.08308398e-04]] Final stress: [-9.44435517e-06 9.08523259e-06 -9.44435518e-06 -4.41744611e-04 3.61964004e-06 -4.41744611e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.23646586e-03 -3.78437125e-12 -3.16122699e-03] [-4.23646584e-03 2.70669598e-12 3.16122697e-03] [-7.08802374e-12 -6.57277434e-03 2.65148450e-12] [-8.40302827e-12 6.57277431e-03 -1.19820820e-13] [-3.16122698e-03 -7.65276991e-12 4.23646587e-03] [ 3.16122698e-03 2.89873681e-12 -4.23646583e-03] [ 4.23646582e-03 7.68717989e-12 -3.16122698e-03] [-4.23646586e-03 6.30394695e-12 3.16122697e-03] [ 1.10880216e-11 -6.57277433e-03 1.65500268e-12] [ 9.72021205e-12 6.57277432e-03 4.29277414e-12] [-3.16122698e-03 9.96009211e-13 4.23646583e-03] [ 3.16122697e-03 -4.70672836e-12 -4.23646585e-03] [ 2.33665432e-03 -1.49518999e-03 2.33665432e-03] [-9.35254841e-03 2.86535288e-03 9.35254842e-03] [-2.33665433e-03 -1.49518997e-03 -2.33665434e-03] [ 9.35254840e-03 2.86535289e-03 -9.35254840e-03] [ 9.35254840e-03 -2.86535289e-03 -9.35254839e-03] [-2.33665433e-03 1.49518997e-03 -2.33665433e-03] [ 2.33665432e-03 1.49518998e-03 2.33665433e-03] [-9.35254841e-03 -2.86535290e-03 9.35254841e-03] [ 2.33665431e-03 -1.49518999e-03 2.33665434e-03] [-9.35254841e-03 2.86535289e-03 9.35254839e-03] [-2.33665431e-03 -1.49518998e-03 -2.33665431e-03] [ 9.35254841e-03 2.86535290e-03 -9.35254841e-03] [ 9.35254841e-03 -2.86535289e-03 -9.35254840e-03] [-2.33665431e-03 1.49518998e-03 -2.33665432e-03] [ 2.33665434e-03 1.49518997e-03 2.33665435e-03] [-9.35254840e-03 -2.86535290e-03 9.35254841e-03] [-1.88015714e-11 2.40460984e-11 -2.89708812e-11] [ 4.00840615e-11 2.43860204e-11 1.30414837e-11] [-1.09865072e-03 4.47461897e-03 -7.04486818e-03] [-1.09865070e-03 -4.47461900e-03 -7.04486821e-03] [ 1.09865075e-03 4.47461900e-03 7.04486819e-03] [ 1.09865075e-03 -4.47461903e-03 7.04486823e-03] [ 4.71758532e-03 -7.89812660e-12 4.71758485e-03] [ 4.94520323e-05 -1.48872494e-11 -4.94515652e-05] [-4.94519731e-05 -1.66502628e-11 4.94516371e-05] [-4.71758533e-03 -7.32192432e-12 -4.71758486e-03] [-7.04486860e-03 4.47461942e-03 -1.09865075e-03] [ 7.04486863e-03 4.47461944e-03 1.09865075e-03] [-7.04486865e-03 -4.47461946e-03 -1.09865074e-03] [ 7.04486868e-03 -4.47461948e-03 1.09865077e-03] [-1.09865074e-03 4.47461948e-03 -7.04486867e-03] [-1.09865074e-03 -4.47461943e-03 -7.04486864e-03] [ 1.09865071e-03 4.47461945e-03 7.04486865e-03] [ 1.09865071e-03 -4.47461941e-03 7.04486862e-03] [ 4.71758489e-03 1.48603494e-11 4.71758531e-03] [ 4.94515503e-05 1.67307910e-11 -4.94520725e-05] [-4.94515845e-05 2.45528671e-11 4.94520106e-05] [-4.71758488e-03 2.79766770e-11 -4.71758528e-03] [-7.04486824e-03 4.47461904e-03 -1.09865078e-03] [ 7.04486820e-03 4.47461899e-03 1.09865072e-03] [-7.04486820e-03 -4.47461900e-03 -1.09865077e-03] [ 7.04486818e-03 -4.47461898e-03 1.09865072e-03]] Final stress: [ 6.79732932e-05 -2.43109487e-04 6.79732932e-05 -3.84045960e-15 8.85194317e-04 -6.98764143e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 9.04336380e-04 -3.36430103e-13 3.24672674e-04] [-9.04336375e-04 -2.72726286e-12 -3.24672678e-04] [-1.01617369e-12 -2.01381039e-03 -5.11912561e-14] [-8.52234949e-13 2.01381039e-03 3.57019969e-13] [ 3.24672675e-04 8.11741299e-13 9.04336377e-04] [-3.24672677e-04 -3.91603416e-13 -9.04336374e-04] [ 9.04336373e-04 1.35963506e-12 3.24672677e-04] [-9.04336387e-04 4.22928619e-13 -3.24672678e-04] [-2.60392836e-13 -2.01381040e-03 2.19183026e-12] [ 1.04746246e-12 2.01381040e-03 1.44213204e-12] [ 3.24672678e-04 1.66299687e-12 9.04336386e-04] [-3.24672677e-04 1.15114588e-12 -9.04336380e-04] [ 1.10023981e-03 -9.99624383e-04 1.10023981e-03] [-1.92728825e-03 -1.23301507e-04 1.92728824e-03] [-1.10023980e-03 -9.99624380e-04 -1.10023981e-03] [ 1.92728824e-03 -1.23301500e-04 -1.92728824e-03] [ 1.92728824e-03 1.23301503e-04 -1.92728824e-03] [-1.10023981e-03 9.99624380e-04 -1.10023981e-03] [ 1.10023981e-03 9.99624382e-04 1.10023981e-03] [-1.92728825e-03 1.23301507e-04 1.92728825e-03] [ 1.10023981e-03 -9.99624379e-04 1.10023981e-03] [-1.92728824e-03 -1.23301506e-04 1.92728824e-03] [-1.10023980e-03 -9.99624380e-04 -1.10023980e-03] [ 1.92728825e-03 -1.23301509e-04 -1.92728825e-03] [ 1.92728824e-03 1.23301511e-04 -1.92728825e-03] [-1.10023981e-03 9.99624381e-04 -1.10023980e-03] [ 1.10023981e-03 9.99624378e-04 1.10023980e-03] [-1.92728824e-03 1.23301507e-04 1.92728824e-03] [-8.52620752e-12 9.90096893e-13 -2.22241670e-12] [ 1.23227253e-11 -4.48148150e-13 -1.04743772e-11] [-3.14702239e-04 -1.17072595e-03 3.44477289e-04] [-3.14702242e-04 1.17072595e-03 3.44477287e-04] [ 3.14702252e-04 -1.17072594e-03 -3.44477282e-04] [ 3.14702248e-04 1.17072593e-03 -3.44477273e-04] [ 9.51352593e-04 -4.32920366e-12 9.51352676e-04] [ 4.54720006e-04 -7.68153423e-12 -4.54720063e-04] [-4.54719987e-04 -4.53612842e-12 4.54720082e-04] [-9.51352597e-04 -7.44819310e-12 -9.51352675e-04] [ 3.44477364e-04 -1.17072602e-03 -3.14702237e-04] [-3.44477365e-04 -1.17072603e-03 3.14702252e-04] [ 3.44477348e-04 1.17072601e-03 -3.14702234e-04] [-3.44477355e-04 1.17072601e-03 3.14702249e-04] [-3.14702246e-04 -1.17072600e-03 3.44477347e-04] [-3.14702245e-04 1.17072602e-03 3.44477364e-04] [ 3.14702242e-04 -1.17072602e-03 -3.44477361e-04] [ 3.14702242e-04 1.17072603e-03 -3.44477372e-04] [ 9.51352680e-04 6.17709469e-12 9.51352590e-04] [ 4.54720063e-04 -7.03276196e-13 -4.54719998e-04] [-4.54720080e-04 5.77299189e-12 4.54719984e-04] [-9.51352658e-04 1.97671740e-15 -9.51352603e-04] [ 3.44477275e-04 -1.17072593e-03 -3.14702247e-04] [-3.44477282e-04 -1.17072594e-03 3.14702235e-04] [ 3.44477284e-04 1.17072594e-03 -3.14702247e-04] [-3.44477295e-04 1.17072595e-03 3.14702241e-04]] Final stress: [ 1.13414541e-05 -5.80796449e-05 1.13414541e-05 3.73738233e-15 -8.84184414e-04 4.03996400e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.77176531e-04 -3.73141121e-06 -3.73140887e-06] [ 2.77176513e-04 3.73141070e-06 3.73140976e-06] [ 2.32383730e-04 3.84227357e-04 5.17005309e-04] [-2.32383730e-04 -3.84227353e-04 -5.17005309e-04] [ 2.32383730e-04 5.17005308e-04 3.84227355e-04] [-2.32383727e-04 -5.17005310e-04 -3.84227353e-04] [-2.77176514e-04 -3.73141090e-06 -3.73141116e-06] [ 2.77176530e-04 3.73140952e-06 3.73141096e-06] [ 2.32383728e-04 3.84227349e-04 5.17005309e-04] [-2.32383729e-04 -3.84227358e-04 -5.17005309e-04] [ 2.32383729e-04 5.17005310e-04 3.84227349e-04] [-2.32383730e-04 -5.17005307e-04 -3.84227362e-04] [-1.97318420e-04 -5.72135364e-04 -5.72135365e-04] [ 5.27946727e-05 -2.52952276e-04 2.22029485e-05] [ 5.27946716e-05 2.22029463e-05 -2.52952277e-04] [ 3.86538134e-04 2.09393189e-04 2.09393189e-04] [-5.27946670e-05 2.52952285e-04 -2.22029529e-05] [ 1.97318415e-04 5.72135366e-04 5.72135366e-04] [-5.27946661e-05 -2.22029538e-05 2.52952283e-04] [-3.86538123e-04 -2.09393200e-04 -2.09393198e-04] [-1.97318418e-04 -5.72135366e-04 -5.72135368e-04] [ 5.27946676e-05 -2.52952282e-04 2.22029533e-05] [ 5.27946670e-05 2.22029554e-05 -2.52952284e-04] [ 3.86538124e-04 2.09393198e-04 2.09393199e-04] [-5.27946700e-05 2.52952275e-04 -2.22029467e-05] [ 1.97318418e-04 5.72135364e-04 5.72135364e-04] [-5.27946734e-05 -2.22029481e-05 2.52952274e-04] [-3.86538134e-04 -2.09393189e-04 -2.09393191e-04] [ 1.51613999e-11 -6.12782047e-12 -1.58714708e-12] [-1.33089238e-11 8.40993800e-12 1.15367119e-11] [-1.46180234e-04 -3.13698093e-04 -3.13698090e-04] [-1.79762524e-11 -2.40029962e-04 2.40030010e-04] [-2.93954236e-11 2.40029984e-04 -2.40029984e-04] [ 1.46180202e-04 3.13698106e-04 3.13698074e-04] [ 3.98015977e-04 1.90441259e-04 1.83197610e-05] [-1.33868215e-05 -2.18462100e-04 -2.44989691e-04] [ 1.33867852e-05 2.18462118e-04 2.44989647e-04] [-3.98016024e-04 -1.90441236e-04 -1.83197089e-05] [ 3.98015959e-04 1.83197766e-05 1.90441248e-04] [ 1.33868197e-05 2.44989677e-04 2.18462119e-04] [-1.33868317e-05 -2.44989702e-04 -2.18462111e-04] [-3.98016003e-04 -1.83197276e-05 -1.90441238e-04] [-1.46180196e-04 -3.13698085e-04 -3.13698095e-04] [ 1.91879399e-11 -2.40030006e-04 2.40029965e-04] [ 2.29558941e-11 2.40029985e-04 -2.40029986e-04] [ 1.46180237e-04 3.13698077e-04 3.13698106e-04] [ 3.98015998e-04 1.90441234e-04 1.83197324e-05] [-1.33868141e-05 -2.18462122e-04 -2.44989675e-04] [ 1.33868369e-05 2.18462110e-04 2.44989706e-04] [-3.98015964e-04 -1.90441253e-04 -1.83197720e-05] [ 3.98016029e-04 1.83197041e-05 1.90441237e-04] [ 1.33868090e-05 2.44989680e-04 2.18462112e-04] [-1.33867917e-05 -2.44989649e-04 -2.18462111e-04] [-3.98015964e-04 -1.83197696e-05 -1.90441248e-04]] Final stress: [ 1.10121084e-05 -1.07444382e-05 -1.07444382e-05 4.40245556e-06 4.41567534e-04 4.41567534e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.56335549e-04 1.06908197e-04 -1.06908199e-04] [ 2.56335534e-04 -1.06908199e-04 1.06908196e-04] [-9.52404807e-05 3.24372485e-04 -4.52568757e-04] [ 9.52404809e-05 -3.24372478e-04 4.52568762e-04] [ 9.52404799e-05 -4.52568760e-04 3.24372475e-04] [-9.52404790e-05 4.52568759e-04 -3.24372483e-04] [-2.56335537e-04 1.06908198e-04 -1.06908199e-04] [ 2.56335545e-04 -1.06908197e-04 1.06908197e-04] [-9.52404809e-05 3.24372475e-04 -4.52568760e-04] [ 9.52404791e-05 -3.24372482e-04 4.52568760e-04] [ 9.52404790e-05 -4.52568760e-04 3.24372474e-04] [-9.52404797e-05 4.52568758e-04 -3.24372484e-04] [-1.35057306e-05 8.07810796e-05 1.72042381e-04] [-1.33381641e-04 4.07010031e-04 -4.07010026e-04] [ 8.88081163e-06 -2.52379404e-04 2.52379406e-04] [-1.35057262e-05 -1.72042386e-04 -8.07810851e-05] [ 1.33381641e-04 -4.07010023e-04 4.07010026e-04] [ 1.35057294e-05 -8.07810814e-05 -1.72042380e-04] [-8.88080718e-06 2.52379404e-04 -2.52379401e-04] [ 1.35057326e-05 1.72042378e-04 8.07810772e-05] [-1.35057343e-05 8.07810796e-05 1.72042378e-04] [-1.33381641e-04 4.07010026e-04 -4.07010027e-04] [ 8.88080617e-06 -2.52379400e-04 2.52379399e-04] [-1.35057317e-05 -1.72042379e-04 -8.07810789e-05] [ 1.33381640e-04 -4.07010026e-04 4.07010025e-04] [ 1.35057298e-05 -8.07810839e-05 -1.72042382e-04] [-8.88081158e-06 2.52379407e-04 -2.52379411e-04] [ 1.35057296e-05 1.72042384e-04 8.07810839e-05] [ 1.21608001e-11 -6.10914097e-12 7.08094694e-12] [-6.16189304e-12 6.12045883e-12 1.23392343e-11] [-1.32881484e-11 2.40903094e-04 2.40903041e-04] [-3.71571194e-05 2.93472711e-04 -2.93472746e-04] [ 3.71570980e-05 -2.93472731e-04 2.93472729e-04] [-1.38233834e-11 -2.40903062e-04 -2.40903076e-04] [ 2.84928296e-04 -2.19780948e-04 2.38981264e-05] [-2.81617666e-05 1.75062669e-04 -2.78277174e-04] [ 2.81617177e-05 -1.75062661e-04 2.78277132e-04] [-2.84928289e-04 2.19780956e-04 -2.38981165e-05] [-2.81617423e-05 2.78277156e-04 -1.75062671e-04] [-2.84928328e-04 2.38980796e-05 -2.19780960e-04] [ 2.84928308e-04 -2.38981069e-05 2.19780946e-04] [ 2.81617067e-05 -2.78277116e-04 1.75062655e-04] [ 1.27197350e-11 2.40903044e-04 2.40903094e-04] [-3.71570919e-05 2.93472750e-04 -2.93472713e-04] [ 3.71571221e-05 -2.93472733e-04 2.93472722e-04] [ 1.80261218e-11 -2.40903070e-04 -2.40903070e-04] [ 2.84928312e-04 -2.19780953e-04 2.38980942e-05] [-2.81616973e-05 1.75062659e-04 -2.78277104e-04] [ 2.81617483e-05 -1.75062673e-04 2.78277160e-04] [-2.84928311e-04 2.19780946e-04 -2.38981024e-05] [-2.81617304e-05 2.78277139e-04 -1.75062652e-04] [-2.84928288e-04 2.38981247e-05 -2.19780941e-04] [ 2.84928302e-04 -2.38981077e-05 2.19780965e-04] [ 2.81617564e-05 -2.78277169e-04 1.75062676e-04]] Final stress: [ 9.12892173e-06 -9.69011891e-06 -9.69011893e-06 -3.54526438e-06 4.41737556e-04 -4.41737556e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-2.65860221e-04 -1.07990414e-04 1.07990416e-04] [ 2.65860211e-04 1.07990415e-04 -1.07990413e-04] [ 9.54062369e-05 3.36254947e-04 -4.42953864e-04] [-9.54062348e-05 -3.36254946e-04 4.42953864e-04] [-9.54062358e-05 -4.42953864e-04 3.36254944e-04] [ 9.54062341e-05 4.42953863e-04 -3.36254954e-04] [-2.65860211e-04 -1.07990414e-04 1.07990415e-04] [ 2.65860222e-04 1.07990415e-04 -1.07990414e-04] [ 9.54062354e-05 3.36254947e-04 -4.42953862e-04] [-9.54062351e-05 -3.36254952e-04 4.42953862e-04] [-9.54062355e-05 -4.42953864e-04 3.36254950e-04] [ 9.54062345e-05 4.42953863e-04 -3.36254944e-04] [-4.56091544e-05 1.73784944e-04 8.47067461e-05] [ 3.22244942e-05 2.95754865e-04 -2.95754868e-04] [-1.67783626e-04 -3.97930721e-04 3.97930724e-04] [-4.56091547e-05 -8.47067462e-05 -1.73784944e-04] [-3.22244929e-05 -2.95754866e-04 2.95754868e-04] [ 4.56091557e-05 -1.73784941e-04 -8.47067415e-05] [ 1.67783632e-04 3.97930716e-04 -3.97930716e-04] [ 4.56091565e-05 8.47067443e-05 1.73784940e-04] [-4.56091582e-05 1.73784939e-04 8.47067418e-05] [ 3.22244932e-05 2.95754867e-04 -2.95754867e-04] [-1.67783631e-04 -3.97930715e-04 3.97930716e-04] [-4.56091545e-05 -8.47067445e-05 -1.73784941e-04] [-3.22244901e-05 -2.95754869e-04 2.95754866e-04] [ 4.56091532e-05 -1.73784945e-04 -8.47067481e-05] [ 1.67783626e-04 3.97930725e-04 -3.97930721e-04] [ 4.56091566e-05 8.47067438e-05 1.73784943e-04] [ 7.00858815e-12 8.95145069e-13 8.83884632e-12] [-7.51001561e-12 4.63319731e-12 -1.93944112e-12] [-1.42443835e-11 2.15595301e-04 2.15595281e-04] [ 4.48752757e-05 2.64136714e-04 -2.64136731e-04] [-4.48753056e-05 -2.64136735e-04 2.64136715e-04] [-1.24307752e-11 -2.15595273e-04 -2.15595304e-04] [-2.95302105e-05 -1.83467092e-04 2.64133178e-04] [ 3.10240845e-04 2.12102181e-04 -2.11960937e-05] [-3.10240888e-04 -2.12102171e-04 2.11960479e-05] [ 2.95302067e-05 1.83467097e-04 -2.64133166e-04] [ 3.10240844e-04 2.11960948e-05 -2.12102185e-04] [ 2.95302075e-05 2.64133171e-04 -1.83467104e-04] [-2.95302167e-05 -2.64133185e-04 1.83467080e-04] [-3.10240879e-04 -2.11960613e-05 2.12102161e-04] [ 1.32133965e-11 2.15595276e-04 2.15595303e-04] [ 4.48753015e-05 2.64136726e-04 -2.64136726e-04] [-4.48752798e-05 -2.64136713e-04 2.64136730e-04] [ 1.36998650e-11 -2.15595307e-04 -2.15595272e-04] [-2.95302134e-05 -1.83467097e-04 2.64133175e-04] [ 3.10240887e-04 2.12102171e-04 -2.11960543e-05] [-3.10240838e-04 -2.12102177e-04 2.11961020e-05] [ 2.95302100e-05 1.83467089e-04 -2.64133180e-04] [ 3.10240878e-04 2.11960559e-05 -2.12102164e-04] [ 2.95302188e-05 2.64133185e-04 -1.83467082e-04] [-2.95301979e-05 -2.64133159e-04 1.83467102e-04] [-3.10240851e-04 -2.11960890e-05 2.12102182e-04]] Final stress: [ 9.17620139e-06 -9.63981018e-06 -9.63981018e-06 -3.55444180e-06 -4.41690311e-04 4.41690311e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.50935242e-04 9.07831207e-05 9.07831203e-05] [ 2.50935237e-04 -9.07831195e-05 -9.07831208e-05] [-1.11664984e-04 3.21295843e-04 4.35030928e-04] [ 1.11664984e-04 -3.21295837e-04 -4.35030928e-04] [-1.11664984e-04 4.35030928e-04 3.21295834e-04] [ 1.11664985e-04 -4.35030930e-04 -3.21295842e-04] [-2.50935236e-04 9.07831206e-05 9.07831193e-05] [ 2.50935239e-04 -9.07831191e-05 -9.07831193e-05] [-1.11664983e-04 3.21295832e-04 4.35030929e-04] [ 1.11664984e-04 -3.21295843e-04 -4.35030928e-04] [-1.11664985e-04 4.35030928e-04 3.21295839e-04] [ 1.11664982e-04 -4.35030929e-04 -3.21295837e-04] [ 1.89288524e-04 -3.53925474e-04 -3.53925476e-04] [ 2.28556597e-05 -6.94278708e-05 1.71095953e-04] [ 2.28556648e-05 1.71095947e-04 -6.94278691e-05] [-4.07028210e-05 2.99217265e-04 2.99217263e-04] [-2.28556637e-05 6.94278706e-05 -1.71095951e-04] [-1.89288525e-04 3.53925476e-04 3.53925474e-04] [-2.28556585e-05 -1.71095954e-04 6.94278734e-05] [ 4.07028262e-05 -2.99217266e-04 -2.99217267e-04] [ 1.89288522e-04 -3.53925476e-04 -3.53925475e-04] [ 2.28556638e-05 -6.94278697e-05 1.71095950e-04] [ 2.28556595e-05 1.71095954e-04 -6.94278747e-05] [-4.07028236e-05 2.99217267e-04 2.99217268e-04] [-2.28556616e-05 6.94278708e-05 -1.71095954e-04] [-1.89288524e-04 3.53925474e-04 3.53925476e-04] [-2.28556660e-05 -1.71095949e-04 6.94278685e-05] [ 4.07028204e-05 -2.99217264e-04 -2.99217266e-04] [ 5.15318344e-12 -5.54206681e-12 3.95386501e-12] [-3.35650388e-12 9.31598502e-12 -4.82767785e-13] [ 6.18956420e-05 -2.73656323e-04 -2.73656394e-04] [-8.33170338e-13 -2.14921959e-04 2.14921921e-04] [-2.18304888e-12 2.14921954e-04 -2.14921919e-04] [-6.18956476e-05 2.73656364e-04 2.73656355e-04] [-3.40181988e-05 1.59020402e-04 2.75635917e-04] [ 2.69701769e-04 -2.06111384e-04 -4.30683731e-05] [-2.69701800e-04 2.06111403e-04 4.30683438e-05] [ 3.40182146e-05 -1.59020381e-04 -2.75635928e-04] [-3.40181893e-05 2.75635904e-04 1.59020383e-04] [-2.69701805e-04 4.30683330e-05 2.06111391e-04] [ 2.69701826e-04 -4.30683218e-05 -2.06111406e-04] [ 3.40181635e-05 -2.75635880e-04 -1.59020402e-04] [ 6.18956444e-05 -2.73656395e-04 -2.73656323e-04] [ 2.81582787e-12 -2.14921923e-04 2.14921951e-04] [ 5.36514192e-12 2.14921929e-04 -2.14921953e-04] [-6.18956382e-05 2.73656357e-04 2.73656364e-04] [-3.40181838e-05 1.59020383e-04 2.75635895e-04] [ 2.69701826e-04 -2.06111405e-04 -4.30683165e-05] [-2.69701802e-04 2.06111382e-04 4.30683384e-05] [ 3.40181669e-05 -1.59020402e-04 -2.75635880e-04] [-3.40181952e-05 2.75635909e-04 1.59020404e-04] [-2.69701791e-04 4.30683554e-05 2.06111406e-04] [ 2.69701776e-04 -4.30683652e-05 -2.06111384e-04] [ 3.40182214e-05 -2.75635936e-04 -1.59020383e-04]] Final stress: [ 9.26415384e-06 -9.67444403e-06 -9.67444403e-06 3.42686956e-06 -4.41730917e-04 -4.41730917e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.94426485e-04 -2.62364467e-04 1.25666361e-12] [-4.94426476e-04 2.62364466e-04 -1.19682042e-13] [-2.62364466e-04 4.94426485e-04 -1.48622434e-13] [ 2.62364467e-04 -4.94426484e-04 -1.81160642e-13] [ 9.17368178e-13 2.75788507e-13 -9.73028209e-04] [ 7.43044515e-13 8.02136135e-14 9.73028210e-04] [ 4.94426478e-04 -2.62364467e-04 6.33529453e-15] [-4.94426488e-04 2.62364465e-04 3.81870680e-13] [-2.62364466e-04 4.94426481e-04 4.23853644e-13] [ 2.62364467e-04 -4.94426483e-04 -2.23231629e-13] [ 4.05617380e-14 7.81589547e-14 -9.73028211e-04] [ 2.09356837e-13 1.10373249e-12 9.73028211e-04] [ 6.22954464e-04 6.22954465e-04 -1.75709792e-04] [-6.22954466e-04 -6.22954468e-04 -1.75709789e-04] [-9.52987022e-04 9.52987022e-04 3.98451265e-04] [ 9.52987021e-04 -9.52987018e-04 3.98451266e-04] [ 6.22954465e-04 6.22954466e-04 1.75709793e-04] [-6.22954468e-04 -6.22954467e-04 1.75709789e-04] [ 9.52987021e-04 -9.52987019e-04 -3.98451266e-04] [-9.52987021e-04 9.52987022e-04 -3.98451265e-04] [ 6.22954464e-04 6.22954469e-04 -1.75709788e-04] [-6.22954464e-04 -6.22954464e-04 -1.75709792e-04] [-9.52987020e-04 9.52987022e-04 3.98451267e-04] [ 9.52987020e-04 -9.52987021e-04 3.98451263e-04] [ 6.22954465e-04 6.22954469e-04 1.75709789e-04] [-6.22954465e-04 -6.22954464e-04 1.75709791e-04] [ 9.52987020e-04 -9.52987021e-04 -3.98451263e-04] [-9.52987019e-04 9.52987021e-04 -3.98451269e-04] [-7.34370897e-12 -1.24622535e-12 1.59278146e-12] [ 7.04468602e-12 2.02040337e-12 5.76019375e-13] [-5.49221738e-05 -5.08626544e-04 8.57065739e-05] [ 5.49221867e-05 5.08626544e-04 8.57065766e-05] [-5.49221723e-05 -5.08626544e-04 -8.57065742e-05] [ 5.49221868e-05 5.08626543e-04 -8.57065747e-05] [-5.08626536e-04 -5.49221814e-05 8.57065681e-05] [-5.08626535e-04 -5.49221820e-05 -8.57065682e-05] [ 5.08626546e-04 5.49221804e-05 8.57065818e-05] [ 5.08626545e-04 5.49221808e-05 -8.57065808e-05] [ 4.14478940e-04 4.14478936e-04 -1.97775130e-12] [-2.29450057e-04 2.29450075e-04 9.08618666e-13] [ 2.29450076e-04 -2.29450058e-04 3.59989816e-13] [-4.14478937e-04 -4.14478942e-04 -5.96227928e-13] [-5.49221884e-05 -5.08626543e-04 8.57065766e-05] [ 5.49221733e-05 5.08626540e-04 8.57065737e-05] [-5.49221871e-05 -5.08626544e-04 -8.57065772e-05] [ 5.49221756e-05 5.08626539e-04 -8.57065737e-05] [-5.08626549e-04 -5.49221818e-05 8.57065813e-05] [-5.08626548e-04 -5.49221851e-05 -8.57065799e-05] [ 5.08626538e-04 5.49221772e-05 8.57065696e-05] [ 5.08626538e-04 5.49221785e-05 -8.57065697e-05] [ 4.14478934e-04 4.14478942e-04 -2.77356973e-12] [-2.29450071e-04 2.29450059e-04 -8.75585161e-13] [ 2.29450061e-04 -2.29450072e-04 -6.14389768e-13] [-4.14478946e-04 -4.14478929e-04 2.78953510e-13]] Final stress: [ 6.21894169e-06 6.21894169e-06 -3.48453863e-05 -1.36328003e-16 7.31516114e-17 8.83805346e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 1.03484572e-03 -5.21226895e-04 -1.24698342e-12] [-1.03484572e-03 5.21226892e-04 -1.14852572e-12] [-5.21226892e-04 1.03484571e-03 1.22071537e-12] [ 5.21226892e-04 -1.03484571e-03 1.38833389e-12] [ 4.33550765e-15 1.26710231e-12 -1.93166218e-03] [ 4.76868545e-13 1.80055970e-12 1.93166218e-03] [ 1.03484571e-03 -5.21226895e-04 -1.36753857e-12] [-1.03484571e-03 5.21226890e-04 1.22340850e-12] [-5.21226892e-04 1.03484571e-03 -3.07303393e-13] [ 5.21226892e-04 -1.03484572e-03 1.43367388e-12] [ 2.03184865e-12 2.20141509e-12 -1.93166219e-03] [ 9.24299699e-13 1.04115175e-12 1.93166218e-03] [ 1.99350983e-03 1.99350984e-03 3.07980444e-05] [-1.99350983e-03 -1.99350984e-03 3.07980495e-05] [-1.39484032e-03 1.39484033e-03 1.32491058e-03] [ 1.39484032e-03 -1.39484033e-03 1.32491058e-03] [ 1.99350984e-03 1.99350984e-03 -3.07980502e-05] [-1.99350984e-03 -1.99350984e-03 -3.07980505e-05] [ 1.39484032e-03 -1.39484032e-03 -1.32491058e-03] [-1.39484032e-03 1.39484032e-03 -1.32491058e-03] [ 1.99350984e-03 1.99350983e-03 3.07980486e-05] [-1.99350984e-03 -1.99350984e-03 3.07980505e-05] [-1.39484032e-03 1.39484032e-03 1.32491059e-03] [ 1.39484033e-03 -1.39484032e-03 1.32491058e-03] [ 1.99350984e-03 1.99350983e-03 -3.07980451e-05] [-1.99350984e-03 -1.99350984e-03 -3.07980501e-05] [ 1.39484033e-03 -1.39484033e-03 -1.32491058e-03] [-1.39484032e-03 1.39484032e-03 -1.32491058e-03] [-1.52367008e-12 6.62322974e-12 -1.37556633e-12] [ 7.08172106e-12 9.08203241e-12 8.92840046e-12] [ 3.46236872e-04 -1.17959291e-03 2.89816097e-04] [-3.46236869e-04 1.17959290e-03 2.89816077e-04] [ 3.46236869e-04 -1.17959290e-03 -2.89816090e-04] [-3.46236870e-04 1.17959289e-03 -2.89816067e-04] [-1.17959287e-03 3.46236866e-04 2.89816046e-04] [-1.17959286e-03 3.46236863e-04 -2.89816035e-04] [ 1.17959288e-03 -3.46236876e-04 2.89816058e-04] [ 1.17959286e-03 -3.46236875e-04 -2.89816045e-04] [ 5.21962730e-04 5.21962730e-04 2.72859513e-12] [-9.92853228e-04 9.92853249e-04 3.85943881e-12] [ 9.92853207e-04 -9.92853262e-04 4.56803172e-12] [-5.21962700e-04 -5.21962756e-04 1.96393075e-12] [ 3.46236871e-04 -1.17959285e-03 2.89816031e-04] [-3.46236875e-04 1.17959288e-03 2.89816053e-04] [ 3.46236865e-04 -1.17959287e-03 -2.89816040e-04] [-3.46236876e-04 1.17959289e-03 -2.89816063e-04] [-1.17959290e-03 3.46236878e-04 2.89816081e-04] [-1.17959291e-03 3.46236879e-04 -2.89816085e-04] [ 1.17959290e-03 -3.46236854e-04 2.89816079e-04] [ 1.17959290e-03 -3.46236859e-04 -2.89816090e-04] [ 5.21962739e-04 5.21962720e-04 -6.73044518e-12] [-9.92853251e-04 9.92853223e-04 -7.03238918e-12] [ 9.92853258e-04 -9.92853218e-04 -5.74435366e-12] [-5.21962754e-04 -5.21962699e-04 -8.43651060e-12]] Final stress: [ 1.96712526e-05 1.96712526e-05 -7.56813677e-05 -1.81216492e-16 -3.74070740e-16 -8.81474332e-04] Minimization converged after 27 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 8.91607909e-03 -7.85391717e-14 3.67700662e-14] [-8.91607909e-03 4.84057239e-14 -5.87585536e-14] [ 8.49324951e-14 8.91607909e-03 1.33231100e-14] [ 6.88615831e-14 -8.91607909e-03 -1.27231559e-13] [ 1.36860141e-13 -3.16344173e-14 3.00599137e-03] [ 9.10660436e-14 1.24622535e-14 -3.00599137e-03] [ 8.91607909e-03 -2.47506009e-14 5.64077698e-14] [-8.91607909e-03 -1.27896825e-14 2.35981898e-14] [-2.01973854e-14 8.91607909e-03 -5.21444215e-14] [-1.68311545e-14 -8.91607909e-03 -6.12406097e-14] [-3.96215179e-14 2.69382678e-14 3.00599137e-03] [-2.29412843e-14 -3.05855675e-14 -3.00599137e-03] [ 1.15239893e-04 1.15239894e-04 3.39989071e-03] [-1.15239893e-04 -1.15239893e-04 3.39989071e-03] [-1.15239893e-04 1.15239893e-04 -3.39989071e-03] [ 1.15239893e-04 -1.15239893e-04 -3.39989071e-03] [ 1.15239893e-04 1.15239893e-04 -3.39989071e-03] [-1.15239893e-04 -1.15239893e-04 -3.39989071e-03] [ 1.15239893e-04 -1.15239893e-04 3.39989071e-03] [-1.15239893e-04 1.15239893e-04 3.39989071e-03] [ 1.15239893e-04 1.15239893e-04 3.39989071e-03] [-1.15239893e-04 -1.15239893e-04 3.39989071e-03] [-1.15239893e-04 1.15239894e-04 -3.39989071e-03] [ 1.15239893e-04 -1.15239893e-04 -3.39989071e-03] [ 1.15239893e-04 1.15239893e-04 -3.39989071e-03] [-1.15239893e-04 -1.15239893e-04 -3.39989071e-03] [ 1.15239893e-04 -1.15239893e-04 3.39989071e-03] [-1.15239893e-04 1.15239893e-04 3.39989071e-03] [ 4.30322444e-13 7.73825448e-14 5.90721916e-13] [-7.98553931e-14 -7.23266932e-14 4.35461477e-14] [ 1.02917674e-13 -1.90648350e-04 1.96563568e-03] [ 4.96304386e-15 1.90648350e-04 1.96563568e-03] [ 8.26283486e-14 -1.90648350e-04 -1.96563568e-03] [ 9.66587921e-15 1.90648350e-04 -1.96563568e-03] [-1.90648350e-04 -9.83657600e-14 1.96563568e-03] [-1.90648350e-04 7.74571379e-14 -1.96563568e-03] [ 1.90648350e-04 -1.36526207e-13 1.96563568e-03] [ 1.90648350e-04 -1.41085060e-14 -1.96563568e-03] [-1.15289489e-03 -1.15289489e-03 1.10800258e-13] [ 1.15289489e-03 -1.15289489e-03 -5.70116870e-14] [-1.15289489e-03 1.15289489e-03 -4.04416084e-14] [ 1.15289489e-03 1.15289489e-03 -4.89833868e-14] [-4.61115521e-14 -1.90648350e-04 1.96563568e-03] [ 5.21874211e-14 1.90648350e-04 1.96563568e-03] [ 1.33898968e-14 -1.90648350e-04 -1.96563568e-03] [ 7.88241000e-14 1.90648350e-04 -1.96563568e-03] [-1.90648350e-04 3.70711721e-14 1.96563568e-03] [-1.90648350e-04 2.44108336e-13 -1.96563568e-03] [ 1.90648350e-04 -2.82882658e-13 1.96563568e-03] [ 1.90648350e-04 1.86760329e-14 -1.96563568e-03] [-1.15289489e-03 -1.15289489e-03 2.41377870e-13] [ 1.15289489e-03 -1.15289489e-03 2.01581519e-13] [-1.15289489e-03 1.15289489e-03 2.06062947e-13] [ 1.15289489e-03 1.15289489e-03 1.44984285e-13]] Final stress: [ 1.55632614e-04 1.55632614e-04 5.65259775e-04 1.74357798e-16 3.71963302e-16 -6.14403668e-17] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.10780953e-03 4.82222769e-14 -4.74889225e-14] [ 8.10780953e-03 -1.34336986e-14 -2.43416398e-14] [ 1.49559184e-13 -8.10780953e-03 -1.22271117e-13] [ 9.87820936e-14 8.10780953e-03 -1.39693812e-13] [ 1.13653011e-13 5.29862612e-14 2.93931771e-04] [-8.18789481e-15 1.37390099e-14 -2.93931772e-04] [-8.10780953e-03 1.17069982e-13 3.08680560e-14] [ 8.10780953e-03 1.43612119e-13 5.09566444e-14] [ 3.16639076e-14 -8.10780953e-03 -2.24058259e-14] [-5.10203858e-14 8.10780953e-03 -8.86490678e-14] [-8.62851457e-14 1.61174459e-16 2.93931771e-04] [-9.51122861e-14 1.42258156e-13 -2.93931771e-04] [-6.56448774e-04 -6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 -6.56448774e-04 4.33372680e-03] [-6.56448774e-04 6.56448774e-04 4.33372680e-03] [-6.56448774e-04 -6.56448774e-04 4.33372680e-03] [ 6.56448774e-04 6.56448774e-04 4.33372680e-03] [-6.56448774e-04 6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 -6.56448774e-04 -4.33372680e-03] [-6.56448774e-04 -6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 -6.56448774e-04 4.33372680e-03] [-6.56448774e-04 6.56448774e-04 4.33372680e-03] [-6.56448774e-04 -6.56448774e-04 4.33372680e-03] [ 6.56448774e-04 6.56448774e-04 4.33372680e-03] [-6.56448775e-04 6.56448774e-04 -4.33372680e-03] [ 6.56448774e-04 -6.56448774e-04 -4.33372680e-03] [ 4.05425693e-13 -1.86739513e-13 2.44582132e-13] [-2.41843004e-13 -4.55458018e-13 -4.25797972e-14] [-1.57873714e-13 -2.72748458e-03 -1.39857733e-03] [-4.74550954e-14 2.72748458e-03 -1.39857733e-03] [ 1.31405303e-13 -2.72748458e-03 1.39857733e-03] [ 2.80791015e-13 2.72748458e-03 1.39857733e-03] [-2.72748458e-03 -7.28306304e-14 -1.39857733e-03] [-2.72748458e-03 -8.14365936e-14 1.39857733e-03] [ 2.72748458e-03 -2.48486995e-13 -1.39857733e-03] [ 2.72748458e-03 -4.57689442e-14 1.39857733e-03] [ 1.21855083e-03 1.21855083e-03 4.46753745e-13] [-1.21855083e-03 1.21855083e-03 6.90471985e-14] [ 1.21855083e-03 -1.21855083e-03 1.87060437e-13] [-1.21855083e-03 -1.21855083e-03 -1.19158156e-13] [-3.58970666e-14 -2.72748458e-03 -1.39857733e-03] [ 1.90711162e-13 2.72748458e-03 -1.39857733e-03] [-7.62627808e-14 -2.72748458e-03 1.39857733e-03] [ 2.33789550e-13 2.72748458e-03 1.39857733e-03] [-2.72748458e-03 -2.70984264e-14 -1.39857733e-03] [-2.72748458e-03 -1.15771542e-13 1.39857733e-03] [ 2.72748458e-03 -2.41905454e-13 -1.39857733e-03] [ 2.72748458e-03 -2.99521692e-13 1.39857733e-03] [ 1.21855083e-03 1.21855083e-03 2.55734441e-13] [-1.21855083e-03 1.21855083e-03 4.84872735e-13] [ 1.21855083e-03 -1.21855083e-03 3.59576111e-13] [-1.21855083e-03 -1.21855083e-03 3.65260339e-13]] Final stress: [-1.15702397e-04 -1.15702397e-04 -5.52348243e-04 -3.49547990e-17 6.15870269e-17 1.53135310e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 8.91607909e-03 -3.03606966e-14 2.77369273e-14] [-8.91607909e-03 2.31203945e-14 1.83186799e-15] [ 3.16977347e-15 3.00599138e-03 6.82032555e-14] [-8.23785484e-14 -3.00599138e-03 2.47302179e-14] [ 4.82847269e-14 -1.63137732e-14 8.91607909e-03] [ 8.66806626e-14 -3.97182287e-14 -8.91607909e-03] [ 8.91607909e-03 5.97586217e-14 9.66462323e-15] [-8.91607909e-03 5.25282942e-14 -5.92763006e-14] [ 1.87991983e-13 3.00599138e-03 7.16771747e-14] [ 1.28083308e-14 -3.00599138e-03 4.57238805e-14] [-7.61717078e-15 -6.68768058e-14 8.91607909e-03] [ 1.62582621e-14 3.51373764e-14 -8.91607909e-03] [ 1.15239893e-04 3.39989071e-03 1.15239893e-04] [-1.15239893e-04 -3.39989071e-03 1.15239893e-04] [-1.15239893e-04 3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 -3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 3.39989071e-03 -1.15239893e-04] [-1.15239893e-04 -3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 -3.39989071e-03 1.15239893e-04] [-1.15239893e-04 3.39989071e-03 1.15239893e-04] [ 1.15239893e-04 3.39989071e-03 1.15239893e-04] [-1.15239893e-04 -3.39989071e-03 1.15239893e-04] [-1.15239893e-04 3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 -3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 3.39989071e-03 -1.15239893e-04] [-1.15239893e-04 -3.39989071e-03 -1.15239893e-04] [ 1.15239893e-04 -3.39989071e-03 1.15239893e-04] [-1.15239893e-04 3.39989071e-03 1.15239893e-04] [ 1.19737553e-13 -2.20962137e-13 4.82947016e-14] [-3.25934592e-13 -4.80879165e-14 -1.59911583e-13] [ 9.01501096e-14 1.96563568e-03 -1.90648354e-04] [ 8.33760144e-14 -1.96563568e-03 -1.90648353e-04] [-2.07514561e-13 1.96563568e-03 1.90648353e-04] [ 3.03680692e-14 -1.96563568e-03 1.90648353e-04] [-1.15289489e-03 -1.96953565e-13 -1.15289489e-03] [-1.15289489e-03 -1.03172679e-13 1.15289489e-03] [ 1.15289489e-03 -1.45303908e-13 -1.15289489e-03] [ 1.15289489e-03 9.52363188e-15 1.15289489e-03] [-1.90648352e-04 1.96563568e-03 -1.33448808e-13] [ 1.90648353e-04 1.96563568e-03 8.53050269e-14] [-1.90648352e-04 -1.96563568e-03 -1.96245797e-13] [ 1.90648353e-04 -1.96563568e-03 -8.56016646e-14] [-3.51060327e-14 1.96563568e-03 -1.90648353e-04] [ 3.77588585e-14 -1.96563568e-03 -1.90648353e-04] [-2.02815195e-14 1.96563568e-03 1.90648353e-04] [ 2.23481390e-13 -1.96563568e-03 1.90648353e-04] [-1.15289489e-03 3.08560898e-14 -1.15289489e-03] [-1.15289489e-03 -2.36945880e-14 1.15289489e-03] [ 1.15289489e-03 1.53948035e-14 -1.15289489e-03] [ 1.15289489e-03 -9.26949489e-14 1.15289490e-03] [-1.90648353e-04 1.96563568e-03 -5.01435883e-14] [ 1.90648353e-04 1.96563568e-03 -4.53841473e-14] [-1.90648353e-04 -1.96563568e-03 2.32622403e-13] [ 1.90648353e-04 -1.96563568e-03 3.67496832e-14]] Final stress: [ 1.55632614e-04 5.65259775e-04 1.55632614e-04 -2.98899082e-17 -5.47981650e-17 3.76944953e-16] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.17026387e-03 6.58045667e-14 9.31451097e-14] [ 8.17026387e-03 3.16413562e-14 -7.79931675e-15] [-9.71414789e-14 2.18264939e-04 7.74033615e-15] [-8.89843754e-14 -2.18264939e-04 -5.47617507e-14] [ 2.14429169e-14 2.76879214e-14 -8.17026387e-03] [ 6.03961325e-14 1.06026299e-14 8.17026387e-03] [-8.17026387e-03 1.79830543e-13 1.85356319e-14] [ 8.17026387e-03 6.07495824e-14 1.00722035e-14] [-1.83381955e-14 2.18264939e-04 -6.19975774e-14] [ 4.62303806e-16 -2.18264939e-04 -6.94874830e-14] [-3.97251676e-16 3.92177822e-15 -8.17026387e-03] [-8.23473234e-15 4.33544193e-14 8.17026387e-03] [-6.40884860e-04 -4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 -4.32452938e-03 6.40884860e-04] [-6.40884860e-04 4.32452938e-03 6.40884860e-04] [-6.40884860e-04 -4.32452938e-03 6.40884860e-04] [ 6.40884860e-04 4.32452938e-03 6.40884860e-04] [-6.40884860e-04 4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 -4.32452938e-03 -6.40884860e-04] [-6.40884860e-04 -4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 -4.32452938e-03 6.40884860e-04] [-6.40884860e-04 4.32452938e-03 6.40884860e-04] [-6.40884860e-04 -4.32452938e-03 6.40884860e-04] [ 6.40884860e-04 4.32452938e-03 6.40884860e-04] [-6.40884860e-04 4.32452938e-03 -6.40884860e-04] [ 6.40884860e-04 -4.32452938e-03 -6.40884860e-04] [ 2.16326956e-13 -2.75612866e-14 1.92623695e-14] [-5.10088066e-13 -1.00658583e-13 -9.06203403e-15] [-2.82773804e-13 -1.29010358e-03 -2.76206350e-03] [-2.14613050e-13 1.29010358e-03 -2.76206350e-03] [-2.59551061e-13 -1.29010358e-03 2.76206350e-03] [ 2.52159404e-14 1.29010358e-03 2.76206350e-03] [ 1.24569171e-03 -3.98570066e-14 1.24569171e-03] [ 1.24569171e-03 7.43901468e-14 -1.24569171e-03] [-1.24569171e-03 -1.88973837e-13 1.24569171e-03] [-1.24569171e-03 4.20653096e-14 -1.24569171e-03] [-2.76206350e-03 -1.29010358e-03 3.52384788e-13] [ 2.76206350e-03 -1.29010358e-03 3.21496302e-14] [-2.76206350e-03 1.29010358e-03 1.57924021e-13] [ 2.76206350e-03 1.29010358e-03 1.26919308e-13] [-1.49117264e-13 -1.29010358e-03 -2.76206350e-03] [ 2.91943986e-13 1.29010358e-03 -2.76206350e-03] [ 1.87317176e-13 -1.29010358e-03 2.76206350e-03] [ 8.05024450e-14 1.29010358e-03 2.76206350e-03] [ 1.24569171e-03 -4.45067769e-13 1.24569171e-03] [ 1.24569171e-03 2.19756938e-14 -1.24569171e-03] [-1.24569171e-03 -3.16497696e-13 1.24569171e-03] [-1.24569171e-03 -1.95713671e-13 -1.24569171e-03] [-2.76206350e-03 -1.29010358e-03 4.64662090e-13] [ 2.76206350e-03 -1.29010358e-03 2.77546236e-13] [-2.76206350e-03 1.29010358e-03 2.53574173e-13] [ 2.76206350e-03 1.29010358e-03 3.09201883e-13]] Final stress: [-1.16430269e-04 -5.53338631e-04 -1.16430269e-04 -1.83096566e-17 2.36361022e-16 1.89754623e-16] Minimization converged after 32 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.71171161e-03 6.37510877e-16 6.60929644e-16] [ 1.71171161e-03 1.08246745e-15 7.29971639e-15] [-3.19796273e-15 1.93143880e-05 -1.06825658e-03] [ 1.22124533e-15 -1.93143880e-05 1.06825658e-03] [ 2.82499718e-15 -1.06825658e-03 1.93143880e-05] [-1.72084569e-15 1.06825658e-03 -1.93143880e-05] [-1.71171161e-03 2.79333848e-15 -5.37771308e-15] [ 1.71171161e-03 2.83020135e-15 -7.68990847e-15] [-1.92597674e-15 1.93143880e-05 -1.06825658e-03] [-4.03453312e-15 -1.93143880e-05 1.06825658e-03] [-3.88057642e-15 -1.06825658e-03 1.93143880e-05] [-8.71698547e-16 1.06825658e-03 -1.93143880e-05] [ 1.12208080e-03 -2.56369228e-04 -2.56369228e-04] [-2.78912510e-05 8.07097453e-04 -8.07097453e-04] [-2.78912510e-05 -8.07097453e-04 8.07097453e-04] [ 1.12208080e-03 2.56369228e-04 2.56369228e-04] [ 2.78912510e-05 -8.07097453e-04 8.07097453e-04] [-1.12208080e-03 2.56369228e-04 2.56369228e-04] [ 2.78912510e-05 8.07097453e-04 -8.07097453e-04] [-1.12208080e-03 -2.56369228e-04 -2.56369228e-04] [ 1.12208080e-03 -2.56369228e-04 -2.56369228e-04] [-2.78912510e-05 8.07097453e-04 -8.07097453e-04] [-2.78912510e-05 -8.07097453e-04 8.07097453e-04] [ 1.12208080e-03 2.56369228e-04 2.56369228e-04] [ 2.78912510e-05 -8.07097453e-04 8.07097453e-04] [-1.12208080e-03 2.56369228e-04 2.56369228e-04] [ 2.78912510e-05 8.07097453e-04 -8.07097453e-04] [-1.12208080e-03 -2.56369228e-04 -2.56369228e-04] [ 2.42861287e-14 -2.95319325e-14 5.42343948e-14] [-4.06532447e-14 -3.28375772e-15 -2.00218877e-14] [-1.14352972e-14 1.84111862e-04 1.84111862e-04] [-2.64285122e-14 2.03390498e-03 -2.03390498e-03] [-9.31026090e-15 -2.03390498e-03 2.03390498e-03] [-1.82805160e-14 -1.84111862e-04 -1.84111862e-04] [-5.69622946e-04 4.90277912e-04 7.05691262e-04] [-5.69622946e-04 -4.90277912e-04 -7.05691263e-04] [ 5.69622946e-04 4.90277912e-04 7.05691262e-04] [ 5.69622946e-04 -4.90277912e-04 -7.05691262e-04] [-5.69622946e-04 7.05691262e-04 4.90277912e-04] [ 5.69622946e-04 7.05691262e-04 4.90277912e-04] [-5.69622946e-04 -7.05691262e-04 -4.90277912e-04] [ 5.69622946e-04 -7.05691262e-04 -4.90277912e-04] [ 2.59844229e-14 1.84111862e-04 1.84111862e-04] [ 3.01022228e-14 2.03390498e-03 -2.03390498e-03] [ 1.67669698e-14 -2.03390498e-03 2.03390498e-03] [ 2.64085628e-14 -1.84111862e-04 -1.84111862e-04] [-5.69622946e-04 4.90277912e-04 7.05691262e-04] [-5.69622946e-04 -4.90277912e-04 -7.05691262e-04] [ 5.69622946e-04 4.90277912e-04 7.05691262e-04] [ 5.69622946e-04 -4.90277912e-04 -7.05691262e-04] [-5.69622946e-04 7.05691262e-04 4.90277912e-04] [ 5.69622946e-04 7.05691263e-04 4.90277912e-04] [-5.69622946e-04 -7.05691262e-04 -4.90277912e-04] [ 5.69622946e-04 -7.05691262e-04 -4.90277912e-04]] Final stress: [-1.09550824e-05 -2.18983591e-04 -2.18983591e-04 2.67016872e-04 1.66352270e-17 -3.32704541e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.72367091e-03 1.28803218e-15 4.86850144e-15] [ 1.72367091e-03 -3.74700271e-15 5.21804822e-15] [ 5.03069808e-16 -2.83393676e-04 8.15021880e-04] [ 3.27515792e-15 2.83393676e-04 -8.15021880e-04] [ 2.96377506e-15 8.15021880e-04 -2.83393676e-04] [ 1.52655666e-15 -8.15021880e-04 2.83393676e-04] [-1.72367091e-03 -1.33096659e-15 3.67227323e-15] [ 1.72367091e-03 -9.93996552e-16 -4.69421594e-15] [-3.00410738e-15 -2.83393676e-04 8.15021880e-04] [-1.55691432e-15 2.83393676e-04 -8.15021880e-04] [-4.71281000e-15 8.15021880e-04 -2.83393676e-04] [-2.46243997e-15 -8.15021880e-04 2.83393676e-04] [-8.57868919e-05 -7.78952748e-04 -7.78952748e-04] [-1.32472126e-03 2.02811639e-04 -2.02811639e-04] [-1.32472126e-03 -2.02811639e-04 2.02811639e-04] [-8.57868919e-05 7.78952748e-04 7.78952748e-04] [ 1.32472126e-03 -2.02811639e-04 2.02811639e-04] [ 8.57868919e-05 7.78952748e-04 7.78952748e-04] [ 1.32472126e-03 2.02811639e-04 -2.02811639e-04] [ 8.57868919e-05 -7.78952748e-04 -7.78952748e-04] [-8.57868919e-05 -7.78952748e-04 -7.78952748e-04] [-1.32472126e-03 2.02811639e-04 -2.02811639e-04] [-1.32472126e-03 -2.02811639e-04 2.02811639e-04] [-8.57868919e-05 7.78952748e-04 7.78952748e-04] [ 1.32472126e-03 -2.02811639e-04 2.02811639e-04] [ 8.57868919e-05 7.78952748e-04 7.78952748e-04] [ 1.32472126e-03 2.02811639e-04 -2.02811639e-04] [ 8.57868919e-05 -7.78952748e-04 -7.78952748e-04] [ 1.03528297e-14 -3.01703107e-14 5.43731726e-14] [-5.83430873e-15 3.46503635e-15 -2.05680197e-14] [-1.48769885e-14 -2.04635446e-03 -2.04635446e-03] [-2.31863140e-14 -2.38553711e-04 2.38553711e-04] [ 1.15202986e-14 2.38553711e-04 -2.38553711e-04] [-5.80611947e-15 2.04635446e-03 2.04635446e-03] [ 1.44254538e-04 -2.44981653e-04 1.77311441e-04] [ 1.44254538e-04 2.44981653e-04 -1.77311441e-04] [-1.44254538e-04 -2.44981653e-04 1.77311441e-04] [-1.44254538e-04 2.44981653e-04 -1.77311441e-04] [ 1.44254538e-04 1.77311441e-04 -2.44981653e-04] [-1.44254538e-04 1.77311441e-04 -2.44981653e-04] [ 1.44254538e-04 -1.77311441e-04 2.44981653e-04] [-1.44254538e-04 -1.77311441e-04 2.44981653e-04] [-2.11133194e-14 -2.04635446e-03 -2.04635446e-03] [ 2.19598645e-14 -2.38553711e-04 2.38553711e-04] [ 3.76738571e-15 2.38553711e-04 -2.38553711e-04] [ 9.39179290e-15 2.04635446e-03 2.04635446e-03] [ 1.44254538e-04 -2.44981653e-04 1.77311441e-04] [ 1.44254538e-04 2.44981653e-04 -1.77311441e-04] [-1.44254538e-04 -2.44981653e-04 1.77311441e-04] [-1.44254538e-04 2.44981653e-04 -1.77311441e-04] [ 1.44254538e-04 1.77311441e-04 -2.44981652e-04] [-1.44254538e-04 1.77311441e-04 -2.44981652e-04] [ 1.44254538e-04 -1.77311441e-04 2.44981653e-04] [-1.44254538e-04 -1.77311441e-04 2.44981653e-04]] Final stress: [-1.58206462e-05 -2.19089924e-04 -2.19089924e-04 -2.69384503e-04 1.66352270e-17 9.98113622e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.09024842e-03 -2.62415957e-14 -6.92107361e-04] [-5.09024842e-03 4.71844785e-15 6.92107361e-04] [ 1.20086233e-15 5.61398388e-04 -3.80858539e-15] [ 4.75453010e-14 -5.61398388e-04 8.35442826e-14] [-5.71837728e-04 -4.38928408e-15 6.73061229e-04] [ 5.71837728e-04 -5.48727730e-14 -6.73061229e-04] [ 5.09024842e-03 2.98589278e-14 -6.92107361e-04] [-5.09024842e-03 6.10319087e-15 6.92107361e-04] [ 7.74510664e-15 5.61398388e-04 -1.04023902e-14] [ 3.86756599e-15 -5.61398388e-04 -4.96545317e-14] [-5.71837728e-04 1.07180340e-14 6.73061229e-04] [ 5.71837728e-04 3.44536030e-14 -6.73061229e-04] [-8.30339520e-04 4.66527646e-03 1.56516678e-03] [ 9.09331561e-04 1.72216873e-03 1.47332440e-03] [ 8.30339520e-04 4.66527646e-03 -1.56516678e-03] [-9.09331561e-04 1.72216873e-03 -1.47332440e-03] [-9.09331561e-04 -1.72216873e-03 -1.47332440e-03] [ 8.30339520e-04 -4.66527646e-03 -1.56516678e-03] [-8.30339520e-04 -4.66527646e-03 1.56516678e-03] [ 9.09331561e-04 -1.72216873e-03 1.47332440e-03] [-8.30339520e-04 4.66527646e-03 1.56516678e-03] [ 9.09331561e-04 1.72216873e-03 1.47332440e-03] [ 8.30339520e-04 4.66527646e-03 -1.56516678e-03] [-9.09331561e-04 1.72216873e-03 -1.47332440e-03] [-9.09331561e-04 -1.72216873e-03 -1.47332440e-03] [ 8.30339520e-04 -4.66527646e-03 -1.56516678e-03] [-8.30339520e-04 -4.66527646e-03 1.56516678e-03] [ 9.09331561e-04 -1.72216873e-03 1.47332440e-03] [ 4.64073224e-14 -2.62012634e-14 2.91572322e-13] [-2.99400262e-14 -5.33473146e-14 -1.25949930e-14] [ 2.86696302e-03 2.53566242e-03 2.54118790e-03] [ 2.86696302e-03 -2.53566242e-03 2.54118790e-03] [-2.86696302e-03 2.53566242e-03 -2.54118790e-03] [-2.86696302e-03 -2.53566242e-03 -2.54118790e-03] [ 3.58395969e-03 -2.96207503e-13 4.62135683e-03] [-3.83044607e-03 5.25517130e-14 2.94262801e-03] [ 3.83044606e-03 -2.35081052e-13 -2.94262801e-03] [-3.58395969e-03 9.75781955e-15 -4.62135683e-03] [-1.30958368e-04 8.25820888e-04 2.93895187e-03] [ 1.30958368e-04 8.25820888e-04 -2.93895187e-03] [-1.30958368e-04 -8.25820888e-04 2.93895187e-03] [ 1.30958368e-04 -8.25820888e-04 -2.93895187e-03] [ 2.86696302e-03 2.53566242e-03 2.54118790e-03] [ 2.86696302e-03 -2.53566242e-03 2.54118790e-03] [-2.86696302e-03 2.53566242e-03 -2.54118790e-03] [-2.86696302e-03 -2.53566242e-03 -2.54118790e-03] [ 3.58395969e-03 1.46316999e-13 4.62135683e-03] [-3.83044607e-03 -9.26190548e-14 2.94262801e-03] [ 3.83044607e-03 1.06054488e-13 -2.94262801e-03] [-3.58395969e-03 -4.14976213e-14 -4.62135683e-03] [-1.30958368e-04 8.25820888e-04 2.93895187e-03] [ 1.30958368e-04 8.25820888e-04 -2.93895187e-03] [-1.30958368e-04 -8.25820888e-04 2.93895187e-03] [ 1.30958368e-04 -8.25820888e-04 -2.93895187e-03]] Final stress: [-9.62786439e-05 2.34242739e-04 2.35016353e-04 9.96924486e-18 2.68729505e-04 -8.97232037e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.09024848e-03 -2.05621110e-14 6.92107361e-04] [-5.09024848e-03 9.60342916e-15 -6.92107361e-04] [-2.32982036e-14 5.61398391e-04 1.17223939e-14] [-1.60982339e-14 -5.61398391e-04 -1.14352972e-14] [ 5.71837727e-04 -1.65418894e-14 6.73061234e-04] [-5.71837727e-04 1.78745907e-14 -6.73061234e-04] [ 5.09024848e-03 4.79564305e-15 6.92107361e-04] [-5.09024848e-03 1.00440489e-15 -6.92107361e-04] [-5.56802868e-14 5.61398391e-04 5.83694042e-14] [-4.60972406e-14 -5.61398391e-04 6.80686116e-15] [ 5.71837727e-04 1.09027821e-14 6.73061234e-04] [-5.71837727e-04 1.41686361e-14 -6.73061234e-04] [-9.09331561e-04 -1.72216875e-03 1.47332442e-03] [ 8.30339527e-04 -4.66527651e-03 1.56516679e-03] [ 9.09331561e-04 -1.72216875e-03 -1.47332442e-03] [-8.30339526e-04 -4.66527651e-03 -1.56516679e-03] [-8.30339526e-04 4.66527651e-03 -1.56516679e-03] [ 9.09331561e-04 1.72216875e-03 -1.47332442e-03] [-9.09331561e-04 1.72216875e-03 1.47332442e-03] [ 8.30339527e-04 4.66527651e-03 1.56516679e-03] [-9.09331561e-04 -1.72216875e-03 1.47332442e-03] [ 8.30339526e-04 -4.66527651e-03 1.56516679e-03] [ 9.09331561e-04 -1.72216875e-03 -1.47332442e-03] [-8.30339526e-04 -4.66527651e-03 -1.56516679e-03] [-8.30339526e-04 4.66527651e-03 -1.56516679e-03] [ 9.09331561e-04 1.72216875e-03 -1.47332442e-03] [-9.09331561e-04 1.72216875e-03 1.47332442e-03] [ 8.30339526e-04 4.66527651e-03 1.56516679e-03] [-9.85322934e-15 2.77555756e-14 2.58404409e-13] [-3.00461479e-13 -8.22417153e-14 -1.75861340e-15] [-2.86696307e-03 2.53566245e-03 2.54118793e-03] [-2.86696307e-03 -2.53566245e-03 2.54118793e-03] [ 2.86696307e-03 2.53566245e-03 -2.54118793e-03] [ 2.86696307e-03 -2.53566245e-03 -2.54118793e-03] [-3.83044610e-03 -1.04805054e-13 -2.94262803e-03] [ 3.58395973e-03 -1.02593281e-13 -4.62135689e-03] [-3.58395973e-03 -1.29007915e-13 4.62135689e-03] [ 3.83044610e-03 -3.01599024e-14 2.94262803e-03] [-1.30958367e-04 8.25820907e-04 -2.93895192e-03] [ 1.30958367e-04 8.25820907e-04 2.93895192e-03] [-1.30958367e-04 -8.25820907e-04 -2.93895192e-03] [ 1.30958366e-04 -8.25820906e-04 2.93895192e-03] [-2.86696307e-03 2.53566245e-03 2.54118793e-03] [-2.86696307e-03 -2.53566245e-03 2.54118793e-03] [ 2.86696307e-03 2.53566245e-03 -2.54118793e-03] [ 2.86696307e-03 -2.53566245e-03 -2.54118793e-03] [-3.83044611e-03 -8.70941229e-14 -2.94262803e-03] [ 3.58395973e-03 7.30123427e-15 -4.62135689e-03] [-3.58395973e-03 -6.22115207e-15 4.62135689e-03] [ 3.83044611e-03 5.65203266e-14 2.94262803e-03] [-1.30958366e-04 8.25820906e-04 -2.93895192e-03] [ 1.30958366e-04 8.25820906e-04 2.93895192e-03] [-1.30958366e-04 -8.25820906e-04 -2.93895192e-03] [ 1.30958366e-04 -8.25820906e-04 2.93895192e-03]] Final stress: [-9.62786458e-05 2.34242740e-04 2.35016353e-04 5.81539284e-17 -2.68729505e-04 -8.47385813e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-1.12631571e-02 -2.67431975e-12 2.69257503e-02] [ 1.12631571e-02 4.59218774e-12 -2.69257503e-02] [ 1.06242159e-11 -5.30525744e-02 -3.95711849e-12] [-7.72862330e-12 5.30525745e-02 7.20468130e-12] [ 2.51734172e-02 2.53050792e-12 9.16131930e-03] [-2.51734172e-02 -9.25926003e-13 -9.16131930e-03] [-1.12631571e-02 2.47895107e-12 2.69257503e-02] [ 1.12631571e-02 -3.05588107e-12 -2.69257503e-02] [-1.08806141e-11 -5.30525744e-02 1.80512942e-12] [-1.60261214e-12 5.30525744e-02 -3.84070410e-12] [ 2.51734171e-02 -9.48848587e-12 9.16131928e-03] [-2.51734171e-02 2.65832823e-12 -9.16131928e-03] [-2.02523964e-03 4.13191013e-05 -3.96120517e-03] [-9.78578769e-03 -7.36166592e-03 -2.78726240e-02] [ 2.02523964e-03 4.13190897e-05 3.96120518e-03] [ 9.78578769e-03 -7.36166592e-03 2.78726240e-02] [ 9.78578768e-03 7.36166592e-03 2.78726240e-02] [ 2.02523964e-03 -4.13190950e-05 3.96120517e-03] [-2.02523964e-03 -4.13190990e-05 -3.96120517e-03] [-9.78578769e-03 7.36166590e-03 -2.78726240e-02] [-2.02523964e-03 4.13190854e-05 -3.96120519e-03] [-9.78578769e-03 -7.36166591e-03 -2.78726240e-02] [ 2.02523963e-03 4.13190933e-05 3.96120518e-03] [ 9.78578768e-03 -7.36166591e-03 2.78726240e-02] [ 9.78578768e-03 7.36166590e-03 2.78726240e-02] [ 2.02523963e-03 -4.13190889e-05 3.96120518e-03] [-2.02523964e-03 -4.13190907e-05 -3.96120519e-03] [-9.78578768e-03 7.36166592e-03 -2.78726240e-02] [ 1.51669788e-11 -2.91644486e-12 -2.94489433e-12] [-2.11626563e-11 9.91463957e-12 -7.52249189e-13] [ 4.04351992e-03 -1.32226607e-02 -1.97990678e-02] [ 4.04351993e-03 1.32226607e-02 -1.97990678e-02] [-4.04351998e-03 -1.32226607e-02 1.97990678e-02] [-4.04351997e-03 1.32226607e-02 1.97990678e-02] [-1.88198268e-02 -6.62403465e-12 -1.43900186e-02] [-2.60831918e-02 8.38150209e-12 2.38807375e-02] [ 2.60831917e-02 -1.50588838e-11 -2.38807376e-02] [ 1.88198268e-02 -3.76965036e-12 1.43900186e-02] [-1.21508169e-03 8.93178878e-03 2.30124514e-02] [ 1.21508168e-03 8.93178877e-03 -2.30124514e-02] [-1.21508172e-03 -8.93178881e-03 2.30124514e-02] [ 1.21508167e-03 -8.93178874e-03 -2.30124515e-02] [ 4.04352003e-03 -1.32226617e-02 -1.97990668e-02] [ 4.04352000e-03 1.32226617e-02 -1.97990668e-02] [-4.04351994e-03 -1.32226617e-02 1.97990669e-02] [-4.04351996e-03 1.32226617e-02 1.97990668e-02] [-1.88198261e-02 -1.55591533e-12 -1.43900193e-02] [-2.60831910e-02 -1.81849255e-11 2.38807382e-02] [ 2.60831911e-02 2.13320837e-11 -2.38807382e-02] [ 1.88198262e-02 7.24826969e-12 1.43900192e-02] [-1.21508235e-03 8.93178943e-03 2.30124514e-02] [ 1.21508239e-03 8.93178947e-03 -2.30124514e-02] [-1.21508233e-03 -8.93178941e-03 2.30124514e-02] [ 1.21508237e-03 -8.93178947e-03 -2.30124514e-02]] Final stress: [-8.32209366e-04 -1.49748255e-03 -2.06008290e-03 -8.77341874e-15 3.61082276e-04 3.61483483e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 25 steps. Final forces: [[-3.21099042e-02 -9.60656511e-12 -2.40653771e-02] [ 3.21099042e-02 -1.30312150e-11 2.40653771e-02] [ 9.60881852e-12 -5.12181418e-02 -3.40842502e-12] [ 1.16505139e-11 5.12181418e-02 1.31461508e-12] [-2.10476036e-02 1.60207325e-11 1.50238882e-02] [ 2.10476036e-02 6.83181289e-12 -1.50238882e-02] [-3.21099042e-02 -3.78322894e-12 -2.40653771e-02] [ 3.21099042e-02 8.01020448e-12 2.40653771e-02] [-4.76292183e-13 -5.12181418e-02 4.52016254e-12] [-1.78735954e-11 5.12181418e-02 7.01590983e-12] [-2.10476036e-02 -2.58109211e-12 1.50238882e-02] [ 2.10476036e-02 -1.50882986e-11 -1.50238882e-02] [ 2.93902711e-02 2.77383593e-02 -2.92781406e-02] [-1.12565408e-02 1.74679684e-02 -1.06320488e-02] [-2.93902711e-02 2.77383593e-02 2.92781406e-02] [ 1.12565408e-02 1.74679684e-02 1.06320488e-02] [ 1.12565409e-02 -1.74679684e-02 1.06320488e-02] [-2.93902710e-02 -2.77383593e-02 2.92781406e-02] [ 2.93902710e-02 -2.77383594e-02 -2.92781406e-02] [-1.12565409e-02 -1.74679684e-02 -1.06320488e-02] [ 2.93902710e-02 2.77383593e-02 -2.92781406e-02] [-1.12565409e-02 1.74679684e-02 -1.06320488e-02] [-2.93902710e-02 2.77383593e-02 2.92781406e-02] [ 1.12565408e-02 1.74679684e-02 1.06320488e-02] [ 1.12565408e-02 -1.74679684e-02 1.06320488e-02] [-2.93902710e-02 -2.77383594e-02 2.92781406e-02] [ 2.93902711e-02 -2.77383593e-02 -2.92781406e-02] [-1.12565409e-02 -1.74679684e-02 -1.06320488e-02] [ 7.97759081e-12 8.30144287e-12 2.24684160e-12] [-1.32320875e-11 8.25990468e-12 -1.66076669e-12] [ 8.06952384e-04 5.11226056e-03 6.43797083e-04] [ 8.06952359e-04 -5.11226059e-03 6.43797035e-04] [-8.06952408e-04 5.11226047e-03 -6.43797121e-04] [-8.06952420e-04 -5.11226053e-03 -6.43797039e-04] [-1.79691509e-02 -1.21540555e-11 -2.14966284e-02] [-4.65525402e-02 -1.81003684e-11 3.82207633e-02] [ 4.65525402e-02 5.08480931e-12 -3.82207633e-02] [ 1.79691509e-02 1.54000787e-11 2.14966284e-02] [-7.14705920e-03 -3.22228051e-03 -1.84075054e-02] [ 7.14705915e-03 -3.22228055e-03 1.84075054e-02] [-7.14705918e-03 3.22228055e-03 -1.84075054e-02] [ 7.14705917e-03 3.22228056e-03 1.84075054e-02] [ 8.06952389e-04 5.11225963e-03 6.43797990e-04] [ 8.06952410e-04 -5.11225961e-03 6.43797928e-04] [-8.06952388e-04 5.11225964e-03 -6.43798005e-04] [-8.06952358e-04 -5.11225965e-03 -6.43797911e-04] [-1.79691503e-02 2.41381503e-11 -2.14966290e-02] [-4.65525396e-02 2.11316481e-11 3.82207640e-02] [ 4.65525396e-02 3.63192939e-12 -3.82207639e-02] [ 1.79691503e-02 8.18356407e-12 2.14966290e-02] [-7.14705981e-03 -3.22227991e-03 -1.84075054e-02] [ 7.14705986e-03 -3.22227985e-03 1.84075054e-02] [-7.14705976e-03 3.22227991e-03 -1.84075054e-02] [ 7.14705977e-03 3.22227991e-03 1.84075054e-02]] Final stress: [-8.42228262e-04 -1.50733259e-03 -2.03731091e-03 4.95563413e-15 -2.07989044e-04 8.13628954e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.09024843e-03 -6.92107361e-04 1.29544812e-14] [-5.09024843e-03 6.92107361e-04 7.99360578e-15] [-5.71837728e-04 6.73061230e-04 5.30894773e-14] [ 5.71837728e-04 -6.73061230e-04 2.61735078e-14] [ 3.64951125e-14 -2.15886337e-14 5.61398388e-04] [ 6.09234885e-14 -1.55986335e-14 -5.61398388e-04] [ 5.09024843e-03 -6.92107361e-04 -4.99878816e-14] [-5.09024843e-03 6.92107361e-04 -3.65379902e-14] [-5.71837728e-04 6.73061230e-04 1.01639638e-15] [ 5.71837728e-04 -6.73061230e-04 -1.72043490e-14] [-3.70150958e-14 -3.93054003e-14 5.61398388e-04] [ 1.06989070e-15 -2.49975076e-14 -5.61398388e-04] [-8.30339520e-04 1.56516678e-03 4.66527647e-03] [ 8.30339521e-04 -1.56516678e-03 4.66527647e-03] [ 9.09331561e-04 1.47332440e-03 1.72216873e-03] [-9.09331561e-04 -1.47332440e-03 1.72216873e-03] [-8.30339520e-04 1.56516678e-03 -4.66527647e-03] [ 8.30339521e-04 -1.56516678e-03 -4.66527647e-03] [-9.09331561e-04 -1.47332440e-03 -1.72216873e-03] [ 9.09331561e-04 1.47332440e-03 -1.72216873e-03] [-8.30339520e-04 1.56516678e-03 4.66527647e-03] [ 8.30339520e-04 -1.56516678e-03 4.66527647e-03] [ 9.09331561e-04 1.47332440e-03 1.72216873e-03] [-9.09331561e-04 -1.47332440e-03 1.72216873e-03] [-8.30339521e-04 1.56516678e-03 -4.66527647e-03] [ 8.30339520e-04 -1.56516678e-03 -4.66527647e-03] [-9.09331561e-04 -1.47332440e-03 -1.72216873e-03] [ 9.09331561e-04 1.47332440e-03 -1.72216873e-03] [ 9.47020240e-14 -6.72517597e-14 4.70457007e-14] [-4.25558026e-14 -6.20493685e-14 2.86258371e-14] [ 2.86696303e-03 2.54118791e-03 2.53566242e-03] [-2.86696303e-03 -2.54118791e-03 2.53566242e-03] [ 2.86696303e-03 2.54118791e-03 -2.53566242e-03] [-2.86696303e-03 -2.54118791e-03 -2.53566242e-03] [-1.30958369e-04 2.93895188e-03 8.25820891e-04] [-1.30958368e-04 2.93895188e-03 -8.25820891e-04] [ 1.30958368e-04 -2.93895188e-03 8.25820890e-04] [ 1.30958368e-04 -2.93895188e-03 -8.25820890e-04] [ 3.58395970e-03 4.62135684e-03 2.14717133e-13] [ 3.83044607e-03 -2.94262801e-03 7.83140913e-14] [-3.83044607e-03 2.94262801e-03 5.03937170e-14] [-3.58395970e-03 -4.62135684e-03 1.85979704e-14] [ 2.86696303e-03 2.54118791e-03 2.53566242e-03] [-2.86696303e-03 -2.54118791e-03 2.53566242e-03] [ 2.86696303e-03 2.54118791e-03 -2.53566242e-03] [-2.86696303e-03 -2.54118791e-03 -2.53566242e-03] [-1.30958368e-04 2.93895188e-03 8.25820890e-04] [-1.30958368e-04 2.93895188e-03 -8.25820890e-04] [ 1.30958368e-04 -2.93895188e-03 8.25820890e-04] [ 1.30958368e-04 -2.93895188e-03 -8.25820890e-04] [ 3.58395970e-03 4.62135684e-03 3.09342458e-14] [ 3.83044607e-03 -2.94262801e-03 4.40158638e-15] [-3.83044607e-03 2.94262801e-03 -3.67507572e-14] [-3.58395969e-03 -4.62135684e-03 -5.29480973e-15]] Final stress: [-9.62786441e-05 2.35016353e-04 2.34242739e-04 3.32308162e-18 -7.80924181e-17 2.68729505e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.09024847e-03 6.92107361e-04 -2.72525058e-15] [-5.09024847e-03 -6.92107361e-04 -7.21644966e-16] [ 5.71837727e-04 6.73061233e-04 -2.80764995e-14] [-5.71837727e-04 -6.73061233e-04 -1.65145675e-14] [ 4.18996435e-14 -2.90943485e-14 5.61398390e-04] [ 2.33979502e-14 -5.50115509e-14 -5.61398390e-04] [ 5.09024847e-03 6.92107361e-04 6.25643045e-16] [-5.09024847e-03 -6.92107361e-04 3.71632465e-15] [ 5.71837727e-04 6.73061233e-04 2.05181078e-14] [-5.71837727e-04 -6.73061233e-04 -7.23897164e-15] [ 2.37036953e-14 -1.89640176e-14 5.61398390e-04] [ 3.73030599e-14 1.21950247e-14 -5.61398390e-04] [-9.09331561e-04 1.47332441e-03 -1.72216875e-03] [ 9.09331561e-04 -1.47332441e-03 -1.72216875e-03] [ 8.30339525e-04 1.56516679e-03 -4.66527650e-03] [-8.30339525e-04 -1.56516679e-03 -4.66527650e-03] [-9.09331561e-04 1.47332441e-03 1.72216875e-03] [ 9.09331561e-04 -1.47332441e-03 1.72216875e-03] [-8.30339525e-04 -1.56516679e-03 4.66527650e-03] [ 8.30339525e-04 1.56516679e-03 4.66527650e-03] [-9.09331561e-04 1.47332441e-03 -1.72216875e-03] [ 9.09331561e-04 -1.47332441e-03 -1.72216875e-03] [ 8.30339525e-04 1.56516679e-03 -4.66527650e-03] [-8.30339525e-04 -1.56516679e-03 -4.66527650e-03] [-9.09331561e-04 1.47332441e-03 1.72216875e-03] [ 9.09331561e-04 -1.47332441e-03 1.72216875e-03] [-8.30339525e-04 -1.56516679e-03 4.66527650e-03] [ 8.30339525e-04 1.56516679e-03 4.66527650e-03] [ 4.69624339e-14 -1.12632126e-13 1.27398092e-13] [-1.01970949e-13 -8.25468975e-14 5.93892465e-14] [-2.86696306e-03 2.54118792e-03 2.53566244e-03] [ 2.86696306e-03 -2.54118792e-03 2.53566244e-03] [-2.86696306e-03 2.54118792e-03 -2.53566244e-03] [ 2.86696306e-03 -2.54118792e-03 -2.53566244e-03] [-1.30958367e-04 -2.93895191e-03 8.25820902e-04] [-1.30958367e-04 -2.93895191e-03 -8.25820902e-04] [ 1.30958367e-04 2.93895191e-03 8.25820902e-04] [ 1.30958367e-04 2.93895191e-03 -8.25820902e-04] [-3.83044610e-03 -2.94262803e-03 2.18713936e-13] [-3.58395972e-03 4.62135688e-03 5.63039199e-14] [ 3.58395972e-03 -4.62135688e-03 5.55614582e-14] [ 3.83044610e-03 2.94262803e-03 -6.45993675e-14] [-2.86696306e-03 2.54118792e-03 2.53566244e-03] [ 2.86696306e-03 -2.54118793e-03 2.53566244e-03] [-2.86696306e-03 2.54118793e-03 -2.53566244e-03] [ 2.86696306e-03 -2.54118792e-03 -2.53566244e-03] [-1.30958367e-04 -2.93895191e-03 8.25820902e-04] [-1.30958367e-04 -2.93895191e-03 -8.25820902e-04] [ 1.30958367e-04 2.93895191e-03 8.25820902e-04] [ 1.30958367e-04 2.93895191e-03 -8.25820902e-04] [-3.83044610e-03 -2.94262803e-03 1.16379526e-13] [-3.58395972e-03 4.62135688e-03 1.86507765e-13] [ 3.58395972e-03 -4.62135688e-03 1.75741820e-13] [ 3.83044610e-03 2.94262803e-03 2.26384449e-13]] Final stress: [-9.62786454e-05 2.35016353e-04 2.34242740e-04 -1.82769489e-17 5.81539284e-17 -2.68729505e-04] Minimization converged after 62 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[-3.04211204e-02 -1.84015126e-02 5.57706008e-12] [ 3.04211204e-02 1.84015126e-02 3.98314715e-12] [-1.61779055e-02 1.04481250e-02 4.17550109e-12] [ 1.61779055e-02 -1.04481250e-02 6.51922960e-13] [ 2.57063858e-12 -4.62279564e-12 -4.35552784e-02] [-5.07535680e-12 -5.77476955e-12 4.35552784e-02] [-3.04211204e-02 -1.84015126e-02 -2.46240296e-12] [ 3.04211204e-02 1.84015126e-02 -3.25231583e-12] [-1.61779055e-02 1.04481250e-02 -1.74117357e-12] [ 1.61779055e-02 -1.04481250e-02 -3.22621708e-12] [-3.12668988e-12 2.90536517e-12 -4.35552784e-02] [ 1.42736821e-12 4.41750543e-12 4.35552784e-02] [ 2.04869525e-02 -2.24187341e-02 1.58261559e-02] [-2.04869525e-02 2.24187341e-02 1.58261559e-02] [-9.69310252e-03 -4.31404460e-03 8.01531216e-03] [ 9.69310252e-03 4.31404460e-03 8.01531216e-03] [ 2.04869525e-02 -2.24187341e-02 -1.58261559e-02] [-2.04869525e-02 2.24187341e-02 -1.58261559e-02] [ 9.69310252e-03 4.31404459e-03 -8.01531216e-03] [-9.69310251e-03 -4.31404458e-03 -8.01531216e-03] [ 2.04869525e-02 -2.24187341e-02 1.58261559e-02] [-2.04869525e-02 2.24187341e-02 1.58261560e-02] [-9.69310252e-03 -4.31404460e-03 8.01531215e-03] [ 9.69310250e-03 4.31404460e-03 8.01531214e-03] [ 2.04869525e-02 -2.24187341e-02 -1.58261559e-02] [-2.04869525e-02 2.24187341e-02 -1.58261559e-02] [ 9.69310251e-03 4.31404459e-03 -8.01531216e-03] [-9.69310251e-03 -4.31404460e-03 -8.01531216e-03] [ 2.25829355e-11 1.12825027e-11 4.37891390e-12] [-1.35654740e-11 -1.26185862e-11 -4.43889881e-12] [-3.51181385e-04 1.17980796e-02 6.99125995e-03] [ 3.51181340e-04 -1.17980796e-02 6.99125993e-03] [-3.51181379e-04 1.17980796e-02 -6.99125996e-03] [ 3.51181355e-04 -1.17980796e-02 -6.99125994e-03] [-4.15658253e-04 -1.53458101e-02 -3.84464857e-03] [-4.15658286e-04 -1.53458101e-02 3.84464854e-03] [ 4.15658248e-04 1.53458101e-02 -3.84464860e-03] [ 4.15658252e-04 1.53458101e-02 3.84464859e-03] [-1.94386525e-02 -2.24776072e-02 -1.35204070e-11] [ 2.72162354e-02 -2.13735313e-02 -6.78767806e-12] [-2.72162354e-02 2.13735313e-02 -1.62017101e-12] [ 1.94386524e-02 2.24776072e-02 -1.54722500e-11] [-3.51181331e-04 1.17980793e-02 6.99126019e-03] [ 3.51181382e-04 -1.17980794e-02 6.99126021e-03] [-3.51181335e-04 1.17980794e-02 -6.99126017e-03] [ 3.51181379e-04 -1.17980794e-02 -6.99126020e-03] [-4.15658092e-04 -1.53458101e-02 -3.84464874e-03] [-4.15658070e-04 -1.53458101e-02 3.84464877e-03] [ 4.15658105e-04 1.53458101e-02 -3.84464872e-03] [ 4.15658097e-04 1.53458101e-02 3.84464874e-03] [-1.94386526e-02 -2.24776070e-02 -1.48906304e-11] [ 2.72162356e-02 -2.13735311e-02 2.20703145e-11] [-2.72162355e-02 2.13735312e-02 8.38831679e-12] [ 1.94386527e-02 2.24776070e-02 1.13533540e-11]] Final stress: [-7.65792830e-04 -1.96915062e-03 -1.51620180e-03 -3.86769028e-15 -4.35676596e-15 -2.60913655e-04] Minimization converged after 27 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.00599137e-03 4.20674780e-14 7.38593214e-14] [-3.00599137e-03 4.67681449e-14 -1.53765889e-14] [-5.68763786e-14 8.91607909e-03 -1.99198297e-14] [-3.38062911e-14 -8.91607909e-03 -8.19622148e-14] [-3.21236093e-14 -8.19917051e-14 8.91607909e-03] [-3.89410726e-14 -1.35308431e-13 -8.91607909e-03] [ 3.00599138e-03 5.10789328e-14 2.82721347e-14] [-3.00599137e-03 5.56573017e-14 1.06129111e-13] [ 8.75775147e-15 8.91607909e-03 2.43594037e-15] [-2.63881798e-14 -8.91607909e-03 -9.06392785e-15] [ 3.28959950e-14 -9.49336436e-15 8.91607909e-03] [ 4.80058701e-14 -4.02709361e-14 -8.91607909e-03] [ 3.39989071e-03 1.15239893e-04 1.15239893e-04] [-3.39989071e-03 -1.15239893e-04 1.15239893e-04] [-3.39989071e-03 1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 -1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 1.15239893e-04 -1.15239893e-04] [-3.39989071e-03 -1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 -1.15239893e-04 1.15239893e-04] [-3.39989071e-03 1.15239893e-04 1.15239893e-04] [ 3.39989071e-03 1.15239893e-04 1.15239893e-04] [-3.39989071e-03 -1.15239893e-04 1.15239893e-04] [-3.39989071e-03 1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 -1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 1.15239893e-04 -1.15239893e-04] [-3.39989071e-03 -1.15239893e-04 -1.15239893e-04] [ 3.39989071e-03 -1.15239893e-04 1.15239893e-04] [-3.39989071e-03 1.15239893e-04 1.15239893e-04] [ 1.20570220e-13 -1.18072219e-13 1.53876911e-13] [-4.01256719e-13 -8.86250347e-14 2.38951109e-13] [-2.52242671e-13 -1.15289489e-03 -1.15289489e-03] [-1.33355132e-13 1.15289489e-03 -1.15289489e-03] [-1.01564590e-13 -1.15289489e-03 1.15289489e-03] [-2.63473271e-13 1.15289489e-03 1.15289489e-03] [ 1.96563568e-03 -1.65312208e-13 -1.90648353e-04] [ 1.96563568e-03 2.63105510e-14 1.90648353e-04] [-1.96563568e-03 -2.94875235e-13 -1.90648353e-04] [-1.96563568e-03 1.49255608e-14 1.90648353e-04] [ 1.96563568e-03 -1.90648353e-04 2.34035014e-13] [-1.96563568e-03 -1.90648353e-04 6.27761731e-14] [ 1.96563568e-03 1.90648353e-04 1.12207119e-13] [-1.96563568e-03 1.90648353e-04 -1.20280522e-13] [ 6.94331745e-14 -1.15289489e-03 -1.15289489e-03] [ 9.34929217e-14 1.15289489e-03 -1.15289489e-03] [ 1.47468843e-13 -1.15289489e-03 1.15289489e-03] [ 8.43700110e-14 1.15289489e-03 1.15289489e-03] [ 1.96563568e-03 -1.46869312e-14 -1.90648353e-04] [ 1.96563568e-03 -2.06035276e-14 1.90648353e-04] [-1.96563568e-03 -4.07670425e-13 -1.90648353e-04] [-1.96563568e-03 3.30473496e-14 1.90648353e-04] [ 1.96563568e-03 -1.90648353e-04 1.26966238e-13] [-1.96563568e-03 -1.90648353e-04 9.36215894e-14] [ 1.96563568e-03 1.90648353e-04 5.55388933e-14] [-1.96563568e-03 1.90648353e-04 4.85722573e-17]] Final stress: [ 5.65259775e-04 1.55632614e-04 1.55632614e-04 2.12550458e-16 -1.32844036e-17 7.97064218e-17] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.47864216e-04 -3.05788381e-14 -1.40369921e-13] [-2.47864216e-04 -1.86489713e-13 1.32949207e-14] [-1.08758922e-13 -8.14534173e-03 -7.28887437e-14] [-6.18949336e-15 8.14534173e-03 -5.35127498e-14] [ 9.66466490e-14 -3.31752854e-14 -8.14534173e-03] [-3.77753384e-14 2.48134846e-14 8.14534173e-03] [ 2.47864216e-04 3.55384125e-14 7.03653346e-14] [-2.47864216e-04 3.69734625e-14 8.63696287e-14] [ 2.34534614e-15 -8.14534173e-03 1.04192928e-13] [-1.92307108e-14 8.14534173e-03 8.13646159e-14] [-8.42971526e-14 7.09575863e-14 -8.14534173e-03] [ 3.59807670e-14 5.02091109e-14 8.14534173e-03] [-4.32181931e-03 -6.42332182e-04 -6.42332183e-04] [ 4.32181931e-03 6.42332183e-04 -6.42332183e-04] [ 4.32181931e-03 -6.42332182e-04 6.42332182e-04] [-4.32181931e-03 6.42332182e-04 6.42332182e-04] [-4.32181931e-03 -6.42332182e-04 6.42332182e-04] [ 4.32181931e-03 6.42332183e-04 6.42332182e-04] [-4.32181931e-03 6.42332182e-04 -6.42332182e-04] [ 4.32181931e-03 -6.42332183e-04 -6.42332183e-04] [-4.32181931e-03 -6.42332182e-04 -6.42332182e-04] [ 4.32181931e-03 6.42332183e-04 -6.42332182e-04] [ 4.32181931e-03 -6.42332182e-04 6.42332183e-04] [-4.32181931e-03 6.42332183e-04 6.42332183e-04] [-4.32181931e-03 -6.42332182e-04 6.42332183e-04] [ 4.32181931e-03 6.42332183e-04 6.42332183e-04] [-4.32181931e-03 6.42332183e-04 -6.42332182e-04] [ 4.32181931e-03 -6.42332182e-04 -6.42332182e-04] [ 4.66932049e-13 -3.38951089e-13 3.56381591e-14] [-5.37684914e-13 -2.71865121e-13 2.07822977e-13] [-3.99680289e-15 1.24004245e-03 1.24004245e-03] [-2.83629023e-13 -1.24004245e-03 1.24004245e-03] [ 2.06737405e-13 1.24004245e-03 -1.24004245e-03] [ 1.45387175e-14 -1.24004245e-03 -1.24004245e-03] [-1.24510523e-03 -2.19380070e-13 -2.79770922e-03] [-1.24510523e-03 -3.57075480e-13 2.79770922e-03] [ 1.24510523e-03 -2.31432928e-13 -2.79770922e-03] [ 1.24510523e-03 -1.18793864e-14 2.79770922e-03] [-1.24510523e-03 -2.79770922e-03 2.77000645e-13] [ 1.24510523e-03 -2.79770922e-03 -3.13516574e-13] [-1.24510523e-03 2.79770922e-03 2.53682492e-13] [ 1.24510523e-03 2.79770922e-03 -1.30381816e-14] [ 2.44017914e-13 1.24004245e-03 1.24004245e-03] [ 7.05502063e-13 -1.24004245e-03 1.24004245e-03] [ 1.68766910e-13 1.24004245e-03 -1.24004245e-03] [ 1.79484899e-13 -1.24004245e-03 -1.24004245e-03] [-1.24510523e-03 -7.52368287e-16 -2.79770922e-03] [-1.24510523e-03 2.22443591e-13 2.79770922e-03] [ 1.24510523e-03 -2.03062393e-13 -2.79770922e-03] [ 1.24510523e-03 -2.04455810e-13 2.79770922e-03] [-1.24510523e-03 -2.79770922e-03 -1.11556590e-13] [ 1.24510523e-03 -2.79770922e-03 2.93193577e-13] [-1.24510523e-03 2.79770922e-03 7.60612344e-14] [ 1.24510523e-03 2.79770922e-03 1.43257368e-13]] Final stress: [-5.53361971e-04 -1.16540185e-04 -1.16540185e-04 -1.89754623e-16 -1.79767538e-16 1.71444967e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61398387e-04 1.38153378e-14 1.40677400e-14] [-5.61398387e-04 3.33066907e-16 -2.95874436e-14] [ 8.11850587e-15 5.09024841e-03 -6.92107361e-04] [ 5.57887070e-15 -5.09024841e-03 6.92107361e-04] [-1.04690562e-14 -5.71837728e-04 6.73061228e-04] [ 1.59872116e-14 5.71837728e-04 -6.73061228e-04] [ 5.61398387e-04 9.00581693e-15 -6.65156191e-15] [-5.61398387e-04 1.21170435e-15 1.34378685e-15] [-1.39341663e-14 5.09024841e-03 -6.92107361e-04] [ 3.41740525e-15 -5.09024841e-03 6.92107361e-04] [-5.68499241e-14 -5.71837728e-04 6.73061228e-04] [-2.63747357e-14 5.71837728e-04 -6.73061228e-04] [ 4.66527645e-03 -8.30339518e-04 1.56516678e-03] [ 1.72216872e-03 9.09331561e-04 1.47332439e-03] [ 1.72216872e-03 -9.09331562e-04 -1.47332439e-03] [ 4.66527645e-03 8.30339518e-04 -1.56516678e-03] [-1.72216872e-03 -9.09331562e-04 -1.47332439e-03] [-4.66527645e-03 8.30339518e-04 -1.56516678e-03] [-1.72216872e-03 9.09331561e-04 1.47332439e-03] [-4.66527645e-03 -8.30339518e-04 1.56516678e-03] [ 4.66527645e-03 -8.30339518e-04 1.56516678e-03] [ 1.72216872e-03 9.09331562e-04 1.47332439e-03] [ 1.72216872e-03 -9.09331561e-04 -1.47332439e-03] [ 4.66527645e-03 8.30339518e-04 -1.56516678e-03] [-1.72216872e-03 -9.09331562e-04 -1.47332439e-03] [-4.66527645e-03 8.30339518e-04 -1.56516678e-03] [-1.72216872e-03 9.09331562e-04 1.47332439e-03] [-4.66527645e-03 -8.30339518e-04 1.56516678e-03] [ 1.24539268e-13 -3.26683125e-14 1.98369099e-13] [-5.44759550e-14 -5.50931737e-15 -3.04363445e-14] [ 5.88418203e-14 3.58395968e-03 4.62135682e-03] [ 1.46424539e-13 3.83044606e-03 -2.94262801e-03] [ 6.42090547e-14 -3.83044606e-03 2.94262801e-03] [-5.86093674e-14 -3.58395968e-03 -4.62135682e-03] [ 2.53566241e-03 2.86696301e-03 2.54118790e-03] [ 2.53566241e-03 -2.86696301e-03 -2.54118790e-03] [-2.53566241e-03 2.86696301e-03 2.54118790e-03] [-2.53566241e-03 -2.86696301e-03 -2.54118790e-03] [ 8.25820884e-04 -1.30958368e-04 2.93895186e-03] [-8.25820884e-04 -1.30958368e-04 2.93895186e-03] [ 8.25820884e-04 1.30958369e-04 -2.93895186e-03] [-8.25820884e-04 1.30958369e-04 -2.93895186e-03] [ 2.51018824e-14 3.58395968e-03 4.62135682e-03] [ 5.18968549e-14 3.83044606e-03 -2.94262801e-03] [ 2.48993534e-14 -3.83044606e-03 2.94262801e-03] [ 2.09899372e-13 -3.58395968e-03 -4.62135682e-03] [ 2.53566241e-03 2.86696301e-03 2.54118790e-03] [ 2.53566241e-03 -2.86696301e-03 -2.54118790e-03] [-2.53566241e-03 2.86696301e-03 2.54118790e-03] [-2.53566241e-03 -2.86696301e-03 -2.54118790e-03] [ 8.25820883e-04 -1.30958368e-04 2.93895186e-03] [-8.25820883e-04 -1.30958368e-04 2.93895186e-03] [ 8.25820884e-04 1.30958368e-04 -2.93895186e-03] [-8.25820883e-04 1.30958368e-04 -2.93895186e-03]] Final stress: [ 2.34242739e-04 -9.62786435e-05 2.35016353e-04 2.68729505e-04 -3.82154386e-17 -4.98462243e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61398390e-04 -1.31600460e-14 -2.33667252e-15] [-5.61398390e-04 2.43693954e-14 2.17048601e-14] [ 2.85088793e-14 5.09024847e-03 6.92107361e-04] [ 2.72004641e-15 -5.09024847e-03 -6.92107361e-04] [ 2.11918157e-14 5.71837728e-04 6.73061233e-04] [ 4.04121181e-14 -5.71837728e-04 -6.73061233e-04] [ 5.61398390e-04 -3.77350061e-14 1.54950371e-14] [-5.61398390e-04 -1.04443364e-14 -2.18909382e-14] [-2.11688306e-14 5.09024847e-03 6.92107361e-04] [ 2.28146495e-14 -5.09024847e-03 -6.92107361e-04] [-2.73244968e-14 5.71837728e-04 6.73061233e-04] [-5.43055184e-15 -5.71837728e-04 -6.73061233e-04] [-1.72216875e-03 -9.09331561e-04 1.47332441e-03] [-4.66527650e-03 8.30339525e-04 1.56516679e-03] [-4.66527650e-03 -8.30339525e-04 -1.56516679e-03] [-1.72216875e-03 9.09331561e-04 -1.47332441e-03] [ 4.66527650e-03 -8.30339525e-04 -1.56516679e-03] [ 1.72216875e-03 9.09331561e-04 -1.47332441e-03] [ 4.66527650e-03 8.30339525e-04 1.56516679e-03] [ 1.72216875e-03 -9.09331561e-04 1.47332441e-03] [-1.72216875e-03 -9.09331561e-04 1.47332441e-03] [-4.66527650e-03 8.30339525e-04 1.56516679e-03] [-4.66527650e-03 -8.30339525e-04 -1.56516679e-03] [-1.72216875e-03 9.09331561e-04 -1.47332441e-03] [ 4.66527650e-03 -8.30339525e-04 -1.56516679e-03] [ 1.72216875e-03 9.09331561e-04 -1.47332441e-03] [ 4.66527650e-03 8.30339525e-04 1.56516679e-03] [ 1.72216875e-03 -9.09331561e-04 1.47332441e-03] [ 8.64863736e-14 -6.82232049e-14 1.42885703e-13] [-7.91827541e-14 -3.55769506e-14 -7.57096145e-14] [-6.81676937e-14 -3.83044610e-03 -2.94262803e-03] [ 6.11212470e-14 -3.58395972e-03 4.62135688e-03] [-1.16226473e-14 3.58395972e-03 -4.62135688e-03] [ 7.71275405e-14 3.83044610e-03 2.94262803e-03] [ 2.53566244e-03 -2.86696306e-03 2.54118793e-03] [ 2.53566244e-03 2.86696306e-03 -2.54118793e-03] [-2.53566244e-03 -2.86696306e-03 2.54118793e-03] [-2.53566244e-03 2.86696306e-03 -2.54118793e-03] [ 8.25820903e-04 -1.30958367e-04 -2.93895191e-03] [-8.25820902e-04 -1.30958367e-04 -2.93895191e-03] [ 8.25820902e-04 1.30958367e-04 2.93895191e-03] [-8.25820903e-04 1.30958367e-04 2.93895191e-03] [ 1.76238798e-13 -3.83044610e-03 -2.94262803e-03] [-7.12602720e-14 -3.58395972e-03 4.62135688e-03] [ 2.62160085e-14 3.58395972e-03 -4.62135688e-03] [-3.88244124e-14 3.83044610e-03 2.94262803e-03] [ 2.53566244e-03 -2.86696306e-03 2.54118792e-03] [ 2.53566244e-03 2.86696306e-03 -2.54118792e-03] [-2.53566244e-03 -2.86696306e-03 2.54118792e-03] [-2.53566244e-03 2.86696306e-03 -2.54118792e-03] [ 8.25820902e-04 -1.30958366e-04 -2.93895191e-03] [-8.25820902e-04 -1.30958366e-04 -2.93895191e-03] [ 8.25820902e-04 1.30958366e-04 2.93895191e-03] [-8.25820902e-04 1.30958366e-04 2.93895191e-03]] Final stress: [ 2.34242740e-04 -9.62786454e-05 2.35016353e-04 -2.68729505e-04 -3.48923570e-17 -1.01353989e-16] Minimization converged after 63 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 27 steps. Final forces: [[-2.68570657e-02 5.09980773e-12 -2.84257253e-12] [ 2.68570656e-02 1.55514490e-13 4.60934069e-12] [ 1.15770869e-12 -2.30660566e-02 -1.14436705e-02] [ 1.64215863e-12 2.30660566e-02 1.14436705e-02] [ 2.42046834e-13 -1.31738630e-02 1.50111470e-02] [ 5.60607116e-13 1.31738630e-02 -1.50111471e-02] [-2.68570657e-02 -2.31468187e-12 9.24669715e-13] [ 2.68570657e-02 5.19375434e-12 3.16289891e-12] [ 1.70095145e-12 -2.30660566e-02 -1.14436705e-02] [-4.17769638e-12 2.30660566e-02 1.14436705e-02] [ 1.93394779e-12 -1.31738630e-02 1.50111471e-02] [-6.02110321e-14 1.31738630e-02 -1.50111471e-02] [ 1.24669566e-02 1.12868151e-02 -2.28078252e-02] [ 9.65200434e-03 -9.06389249e-03 -7.32275712e-03] [ 9.65200434e-03 9.06389250e-03 7.32275711e-03] [ 1.24669567e-02 -1.12868151e-02 2.28078252e-02] [-9.65200434e-03 9.06389248e-03 7.32275711e-03] [-1.24669566e-02 -1.12868151e-02 2.28078252e-02] [-9.65200434e-03 -9.06389250e-03 -7.32275711e-03] [-1.24669566e-02 1.12868151e-02 -2.28078252e-02] [ 1.24669567e-02 1.12868151e-02 -2.28078252e-02] [ 9.65200434e-03 -9.06389249e-03 -7.32275712e-03] [ 9.65200433e-03 9.06389250e-03 7.32275712e-03] [ 1.24669566e-02 -1.12868151e-02 2.28078252e-02] [-9.65200434e-03 9.06389249e-03 7.32275712e-03] [-1.24669566e-02 -1.12868151e-02 2.28078252e-02] [-9.65200434e-03 -9.06389249e-03 -7.32275711e-03] [-1.24669566e-02 1.12868151e-02 -2.28078252e-02] [ 2.22993846e-12 -9.05159281e-12 1.40401579e-12] [-3.23810857e-12 1.24894246e-11 -2.48248476e-12] [ 8.99946784e-12 -1.43896466e-02 -1.71089210e-02] [ 1.50926147e-13 2.47220277e-02 -1.62936428e-02] [-9.93504844e-12 -2.47220277e-02 1.62936428e-02] [-2.16215809e-11 1.43896466e-02 1.71089210e-02] [ 3.73930080e-03 5.57993041e-04 7.49649389e-03] [ 3.73930078e-03 -5.57993034e-04 -7.49649390e-03] [-3.73930079e-03 5.57993055e-04 7.49649391e-03] [-3.73930079e-03 -5.57993022e-04 -7.49649390e-03] [-2.52473197e-03 -1.57003967e-03 -8.72093196e-03] [ 2.52473197e-03 -1.57003968e-03 -8.72093198e-03] [-2.52473197e-03 1.57003967e-03 8.72093197e-03] [ 2.52473196e-03 1.57003968e-03 8.72093197e-03] [ 8.16094328e-12 -1.43896469e-02 -1.71089208e-02] [ 2.00855721e-11 2.47220279e-02 -1.62936426e-02] [-1.51836555e-11 -2.47220279e-02 1.62936426e-02] [-1.04102291e-11 1.43896468e-02 1.71089208e-02] [ 3.73930109e-03 5.57993027e-04 7.49649359e-03] [ 3.73930106e-03 -5.57993038e-04 -7.49649361e-03] [-3.73930108e-03 5.57993032e-04 7.49649362e-03] [-3.73930106e-03 -5.57993042e-04 -7.49649362e-03] [-2.52473216e-03 -1.57003949e-03 -8.72093196e-03] [ 2.52473218e-03 -1.57003947e-03 -8.72093199e-03] [-2.52473218e-03 1.57003947e-03 8.72093198e-03] [ 2.52473218e-03 1.57003948e-03 8.72093196e-03]] Final stress: [-1.42593204e-03 -6.37576184e-04 -1.81767520e-03 -2.53890037e-04 -7.97326432e-15 -6.80547138e-15] Minimization converged after 32 steps. Minimization converged after 32 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.70443035e-02 -2.92089269e-13 -4.99370243e-02] [-5.70443035e-02 -4.90329999e-13 4.99370243e-02] [ 1.24765866e-13 -3.75422714e-02 2.98584399e-13] [ 1.75193193e-13 3.75422714e-02 9.97812943e-14] [-4.99370243e-02 -1.04962913e-13 5.70443035e-02] [ 4.99370243e-02 -4.78311835e-13 -5.70443035e-02] [ 5.70443035e-02 4.62622128e-13 -4.99370243e-02] [-5.70443035e-02 5.11773470e-14 4.99370243e-02] [-3.58566475e-13 -3.75422714e-02 -9.46380086e-15] [-2.57966391e-14 3.75422714e-02 -7.22272441e-13] [-4.99370243e-02 -5.53094012e-14 5.70443035e-02] [ 4.99370243e-02 6.92462346e-13 -5.70443035e-02] [-2.75768981e-02 1.62865243e-02 -2.75768981e-02] [ 3.56384875e-02 1.51052370e-02 -3.56384875e-02] [ 2.75768981e-02 1.62865243e-02 2.75768981e-02] [-3.56384875e-02 1.51052370e-02 3.56384875e-02] [-3.56384875e-02 -1.51052370e-02 3.56384875e-02] [ 2.75768981e-02 -1.62865243e-02 2.75768981e-02] [-2.75768981e-02 -1.62865243e-02 -2.75768981e-02] [ 3.56384875e-02 -1.51052370e-02 -3.56384875e-02] [-2.75768981e-02 1.62865243e-02 -2.75768981e-02] [ 3.56384875e-02 1.51052370e-02 -3.56384875e-02] [ 2.75768981e-02 1.62865243e-02 2.75768981e-02] [-3.56384875e-02 1.51052370e-02 3.56384875e-02] [-3.56384875e-02 -1.51052370e-02 3.56384875e-02] [ 2.75768981e-02 -1.62865243e-02 2.75768981e-02] [-2.75768981e-02 -1.62865243e-02 -2.75768981e-02] [ 3.56384875e-02 -1.51052370e-02 -3.56384875e-02] [ 3.20060645e-12 -2.47513121e-12 4.01870204e-12] [-7.34432046e-13 -1.22815935e-12 -1.73302615e-13] [ 8.96650918e-02 1.14199600e-02 -1.19041325e-03] [ 8.96650918e-02 -1.14199600e-02 -1.19041325e-03] [-8.96650918e-02 1.14199600e-02 1.19041325e-03] [-8.96650918e-02 -1.14199600e-02 1.19041324e-03] [ 9.25072298e-02 -7.85704835e-13 9.25072298e-02] [-9.35420820e-02 3.39426404e-13 9.35420821e-02] [ 9.35420820e-02 -3.39729980e-12 -9.35420821e-02] [-9.25072298e-02 5.98068470e-13 -9.25072298e-02] [-1.19041326e-03 1.14199600e-02 8.96650918e-02] [ 1.19041326e-03 1.14199600e-02 -8.96650918e-02] [-1.19041326e-03 -1.14199600e-02 8.96650918e-02] [ 1.19041326e-03 -1.14199600e-02 -8.96650918e-02] [ 8.96650918e-02 1.14199600e-02 -1.19041326e-03] [ 8.96650918e-02 -1.14199600e-02 -1.19041326e-03] [-8.96650918e-02 1.14199600e-02 1.19041326e-03] [-8.96650918e-02 -1.14199600e-02 1.19041325e-03] [ 9.25072298e-02 -1.60891335e-12 9.25072298e-02] [-9.35420821e-02 -1.74550164e-12 9.35420820e-02] [ 9.35420821e-02 -6.96445505e-13 -9.35420820e-02] [-9.25072298e-02 -1.25445444e-12 -9.25072298e-02] [-1.19041325e-03 1.14199600e-02 8.96650918e-02] [ 1.19041325e-03 1.14199600e-02 -8.96650918e-02] [-1.19041325e-03 -1.14199600e-02 8.96650918e-02] [ 1.19041325e-03 -1.14199600e-02 -8.96650918e-02]] Final stress: [-4.18257018e-04 4.64157231e-04 -4.18257018e-04 5.30663742e-16 -4.16475087e-04 1.51380566e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.51434326e-04 -1.84444474e-15 9.34135780e-04] [ 1.51434326e-04 -8.60422844e-16 -9.34135780e-04] [ 3.44385978e-15 -1.70214224e-03 4.39015144e-15] [-8.04911693e-16 1.70214224e-03 1.66533454e-15] [ 9.34135780e-04 2.97331604e-15 -1.51434326e-04] [-9.34135780e-04 -2.49800181e-15 1.51434326e-04] [-1.51434326e-04 3.30074509e-15 9.34135780e-04] [ 1.51434326e-04 -1.01698164e-15 -9.34135780e-04] [-5.31606009e-15 -1.70214224e-03 8.66329205e-16] [-3.15285992e-15 1.70214224e-03 -4.13155694e-15] [ 9.34135780e-04 6.65953654e-16 -1.51434326e-04] [-9.34135780e-04 2.80039586e-15 1.51434326e-04] [-7.92267196e-04 -1.20025666e-05 -7.92267196e-04] [ 2.17218871e-04 -1.21221728e-03 -2.17218871e-04] [ 7.92267196e-04 -1.20025666e-05 7.92267196e-04] [-2.17218871e-04 -1.21221728e-03 2.17218871e-04] [-2.17218871e-04 1.21221728e-03 2.17218871e-04] [ 7.92267196e-04 1.20025666e-05 7.92267196e-04] [-7.92267196e-04 1.20025666e-05 -7.92267196e-04] [ 2.17218871e-04 1.21221728e-03 -2.17218871e-04] [-7.92267196e-04 -1.20025666e-05 -7.92267196e-04] [ 2.17218871e-04 -1.21221728e-03 -2.17218871e-04] [ 7.92267196e-04 -1.20025666e-05 7.92267196e-04] [-2.17218871e-04 -1.21221728e-03 2.17218871e-04] [-2.17218871e-04 1.21221728e-03 2.17218871e-04] [ 7.92267196e-04 1.20025666e-05 7.92267196e-04] [-7.92267196e-04 1.20025666e-05 -7.92267196e-04] [ 2.17218871e-04 1.21221728e-03 -2.17218871e-04] [ 1.76803017e-14 -3.28348460e-14 1.85129689e-14] [-1.01307851e-14 -2.28325812e-14 -2.76461305e-15] [-3.26787601e-04 -1.60049158e-04 4.03864160e-04] [-3.26787601e-04 1.60049158e-04 4.03864160e-04] [ 3.26787601e-04 -1.60049158e-04 -4.03864160e-04] [ 3.26787601e-04 1.60049158e-04 -4.03864160e-04] [-2.02547337e-03 -9.99200722e-15 -2.02547337e-03] [ 2.04648163e-04 4.38191150e-15 -2.04648163e-04] [-2.04648163e-04 -4.76181594e-15 2.04648163e-04] [ 2.02547337e-03 -6.43582410e-16 2.02547337e-03] [ 4.03864160e-04 -1.60049158e-04 -3.26787601e-04] [-4.03864160e-04 -1.60049158e-04 3.26787601e-04] [ 4.03864160e-04 1.60049158e-04 -3.26787601e-04] [-4.03864160e-04 1.60049158e-04 3.26787601e-04] [-3.26787601e-04 -1.60049158e-04 4.03864160e-04] [-3.26787601e-04 1.60049158e-04 4.03864160e-04] [ 3.26787601e-04 -1.60049158e-04 -4.03864160e-04] [ 3.26787601e-04 1.60049158e-04 -4.03864160e-04] [-2.02547337e-03 -1.77709545e-14 -2.02547337e-03] [ 2.04648163e-04 -3.75326940e-14 -2.04648163e-04] [-2.04648163e-04 -2.25665840e-14 2.04648163e-04] [ 2.02547337e-03 -3.86930071e-15 2.02547337e-03] [ 4.03864160e-04 -1.60049158e-04 -3.26787601e-04] [-4.03864160e-04 -1.60049158e-04 3.26787601e-04] [ 4.03864160e-04 1.60049158e-04 -3.26787601e-04] [-4.03864160e-04 1.60049158e-04 3.26787601e-04]] Final stress: [-2.18980789e-04 -1.40832343e-05 -2.18980789e-04 1.66352270e-18 -2.68230079e-04 8.31761351e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.73061226e-04 -5.71837729e-04 2.04198637e-14] [-6.73061226e-04 5.71837729e-04 2.88102875e-14] [-6.92107361e-04 5.09024839e-03 2.84746185e-14] [ 6.92107361e-04 -5.09024839e-03 7.96585020e-15] [-1.49329334e-14 -2.24308419e-14 5.61398386e-04] [ 6.05071548e-15 -2.88380431e-14 -5.61398386e-04] [ 6.73061226e-04 -5.71837729e-04 1.04282286e-14] [-6.73061226e-04 5.71837729e-04 -1.82266566e-14] [-6.92107361e-04 5.09024839e-03 1.87946681e-15] [ 6.92107361e-04 -5.09024839e-03 -1.40047535e-14] [-1.52438825e-14 -1.57935356e-14 5.61398386e-04] [-3.43388512e-15 -3.66949424e-14 -5.61398386e-04] [ 1.56516677e-03 -8.30339515e-04 4.66527643e-03] [-1.56516677e-03 8.30339515e-04 4.66527643e-03] [-1.47332438e-03 -9.09331562e-04 1.72216871e-03] [ 1.47332438e-03 9.09331562e-04 1.72216871e-03] [ 1.56516677e-03 -8.30339515e-04 -4.66527643e-03] [-1.56516677e-03 8.30339515e-04 -4.66527643e-03] [ 1.47332438e-03 9.09331562e-04 -1.72216871e-03] [-1.47332438e-03 -9.09331562e-04 -1.72216871e-03] [ 1.56516677e-03 -8.30339515e-04 4.66527643e-03] [-1.56516677e-03 8.30339515e-04 4.66527643e-03] [-1.47332438e-03 -9.09331562e-04 1.72216871e-03] [ 1.47332438e-03 9.09331562e-04 1.72216871e-03] [ 1.56516677e-03 -8.30339515e-04 -4.66527643e-03] [-1.56516677e-03 8.30339515e-04 -4.66527643e-03] [ 1.47332438e-03 9.09331562e-04 -1.72216871e-03] [-1.47332438e-03 -9.09331562e-04 -1.72216871e-03] [ 2.69062550e-13 -3.27515792e-15 1.79745108e-13] [-1.12286049e-13 -3.57586315e-14 1.26087606e-14] [ 2.93895184e-03 -1.30958370e-04 8.25820877e-04] [-2.93895184e-03 1.30958370e-04 8.25820877e-04] [ 2.93895184e-03 -1.30958370e-04 -8.25820877e-04] [-2.93895184e-03 1.30958370e-04 -8.25820877e-04] [ 2.54118789e-03 2.86696299e-03 2.53566240e-03] [ 2.54118789e-03 2.86696299e-03 -2.53566240e-03] [-2.54118789e-03 -2.86696299e-03 2.53566240e-03] [-2.54118789e-03 -2.86696299e-03 -2.53566240e-03] [ 4.62135679e-03 3.58395966e-03 5.26245714e-14] [ 2.94262800e-03 -3.83044604e-03 9.93233273e-14] [-2.94262800e-03 3.83044604e-03 5.36081596e-14] [-4.62135679e-03 -3.58395966e-03 4.11372325e-14] [ 2.93895184e-03 -1.30958370e-04 8.25820877e-04] [-2.93895184e-03 1.30958370e-04 8.25820877e-04] [ 2.93895184e-03 -1.30958370e-04 -8.25820877e-04] [-2.93895184e-03 1.30958370e-04 -8.25820877e-04] [ 2.54118789e-03 2.86696299e-03 2.53566240e-03] [ 2.54118789e-03 2.86696299e-03 -2.53566240e-03] [-2.54118789e-03 -2.86696299e-03 2.53566240e-03] [-2.54118789e-03 -2.86696299e-03 -2.53566240e-03] [ 4.62135679e-03 3.58395966e-03 2.49693476e-13] [ 2.94262800e-03 -3.83044604e-03 1.32970871e-13] [-2.94262800e-03 3.83044604e-03 1.60742686e-13] [-4.62135679e-03 -3.58395966e-03 -4.46717316e-14]] Final stress: [ 2.35016352e-04 -9.62786427e-05 2.34242739e-04 1.09661693e-16 4.98462243e-18 2.68729505e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.73061228e-04 5.71837728e-04 -9.33064390e-15] [-6.73061228e-04 -5.71837728e-04 2.78110868e-14] [ 6.92107361e-04 5.09024841e-03 -1.47724714e-14] [-6.92107361e-04 -5.09024841e-03 -1.11022302e-14] [ 6.16694196e-15 2.48798378e-14 5.61398387e-04] [-1.60704783e-14 -1.76247905e-14 -5.61398387e-04] [ 6.73061228e-04 5.71837728e-04 1.91199658e-14] [-6.73061228e-04 -5.71837728e-04 -6.74349805e-15] [ 6.92107361e-04 5.09024841e-03 6.25594162e-15] [-6.92107361e-04 -5.09024841e-03 -2.43920082e-14] [-5.99078079e-14 -4.91749001e-16 5.61398387e-04] [-1.89431804e-14 2.39873230e-15 -5.61398387e-04] [ 1.47332439e-03 -9.09331561e-04 -1.72216873e-03] [-1.47332439e-03 9.09331562e-04 -1.72216873e-03] [-1.56516678e-03 -8.30339519e-04 -4.66527645e-03] [ 1.56516678e-03 8.30339519e-04 -4.66527645e-03] [ 1.47332439e-03 -9.09331562e-04 1.72216873e-03] [-1.47332439e-03 9.09331562e-04 1.72216873e-03] [ 1.56516678e-03 8.30339519e-04 4.66527645e-03] [-1.56516678e-03 -8.30339519e-04 4.66527645e-03] [ 1.47332439e-03 -9.09331562e-04 -1.72216873e-03] [-1.47332439e-03 9.09331562e-04 -1.72216873e-03] [-1.56516678e-03 -8.30339519e-04 -4.66527645e-03] [ 1.56516678e-03 8.30339519e-04 -4.66527645e-03] [ 1.47332439e-03 -9.09331562e-04 1.72216873e-03] [-1.47332439e-03 9.09331561e-04 1.72216873e-03] [ 1.56516678e-03 8.30339519e-04 4.66527645e-03] [-1.56516678e-03 -8.30339519e-04 4.66527645e-03] [ 2.51382248e-13 -7.40241202e-14 2.43471909e-13] [-1.60351333e-13 -5.02556783e-14 -7.54046750e-14] [-2.93895186e-03 -1.30958368e-04 8.25820885e-04] [ 2.93895186e-03 1.30958368e-04 8.25820885e-04] [-2.93895186e-03 -1.30958369e-04 -8.25820885e-04] [ 2.93895186e-03 1.30958369e-04 -8.25820885e-04] [ 2.54118790e-03 -2.86696301e-03 2.53566241e-03] [ 2.54118790e-03 -2.86696301e-03 -2.53566241e-03] [-2.54118790e-03 2.86696301e-03 2.53566241e-03] [-2.54118790e-03 2.86696301e-03 -2.53566241e-03] [-2.94262801e-03 -3.83044606e-03 1.21014310e-14] [-4.62135682e-03 3.58395968e-03 -2.86333457e-14] [ 4.62135682e-03 -3.58395968e-03 -6.10535927e-14] [ 2.94262801e-03 3.83044606e-03 -1.14252358e-13] [-2.93895186e-03 -1.30958368e-04 8.25820885e-04] [ 2.93895186e-03 1.30958368e-04 8.25820885e-04] [-2.93895186e-03 -1.30958368e-04 -8.25820885e-04] [ 2.93895186e-03 1.30958368e-04 -8.25820885e-04] [ 2.54118790e-03 -2.86696301e-03 2.53566242e-03] [ 2.54118790e-03 -2.86696301e-03 -2.53566241e-03] [-2.54118790e-03 2.86696301e-03 2.53566242e-03] [-2.54118790e-03 2.86696301e-03 -2.53566241e-03] [-2.94262801e-03 -3.83044606e-03 8.71814289e-14] [-4.62135682e-03 3.58395968e-03 6.69948309e-14] [ 4.62135682e-03 -3.58395968e-03 1.93215588e-13] [ 2.94262801e-03 3.83044606e-03 2.63725673e-13]] Final stress: [ 2.35016353e-04 -9.62786436e-05 2.34242739e-04 1.49538673e-17 1.32923265e-17 -2.68729505e-04] Minimization converged after 64 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 26 steps. Final forces: [[ 1.27850532e-02 -1.51553358e-02 -2.81810165e-12] [-1.27850532e-02 1.51553358e-02 3.03229664e-12] [-1.44273603e-02 -2.24959964e-02 4.19587509e-12] [ 1.44273603e-02 2.24959964e-02 1.15987775e-12] [ 3.02782669e-12 -4.40097611e-12 -2.91018677e-02] [ 1.98338568e-12 7.46375184e-13 2.91018677e-02] [ 1.27850532e-02 -1.51553358e-02 2.41180077e-12] [-1.27850532e-02 1.51553358e-02 -2.19025069e-12] [-1.44273603e-02 -2.24959964e-02 -6.84748493e-12] [ 1.44273603e-02 2.24959964e-02 1.63678799e-12] [ 4.71402604e-12 6.04498762e-13 -2.91018677e-02] [-7.47790633e-12 -4.82565962e-12 2.91018677e-02] [-1.83583216e-02 1.31882035e-02 1.13469389e-02] [ 1.83583216e-02 -1.31882035e-02 1.13469389e-02] [ 6.96845644e-03 7.96265499e-03 6.40211632e-03] [-6.96845643e-03 -7.96265500e-03 6.40211631e-03] [-1.83583216e-02 1.31882035e-02 -1.13469389e-02] [ 1.83583216e-02 -1.31882035e-02 -1.13469389e-02] [-6.96845643e-03 -7.96265501e-03 -6.40211631e-03] [ 6.96845644e-03 7.96265499e-03 -6.40211631e-03] [-1.83583216e-02 1.31882035e-02 1.13469389e-02] [ 1.83583216e-02 -1.31882035e-02 1.13469389e-02] [ 6.96845642e-03 7.96265500e-03 6.40211632e-03] [-6.96845643e-03 -7.96265499e-03 6.40211631e-03] [-1.83583216e-02 1.31882035e-02 -1.13469389e-02] [ 1.83583216e-02 -1.31882035e-02 -1.13469389e-02] [-6.96845644e-03 -7.96265500e-03 -6.40211632e-03] [ 6.96845644e-03 7.96265501e-03 -6.40211632e-03] [ 1.58513203e-11 2.74759104e-11 7.96956945e-12] [-1.54864572e-11 3.73120299e-12 -1.04934609e-11] [-8.39906769e-03 1.54638184e-03 -4.13905048e-03] [ 8.39906769e-03 -1.54638185e-03 -4.13905050e-03] [-8.39906768e-03 1.54638185e-03 4.13905048e-03] [ 8.39906768e-03 -1.54638184e-03 4.13905048e-03] [ 9.54843963e-03 1.32482345e-03 4.21985514e-03] [ 9.54843960e-03 1.32482344e-03 -4.21985516e-03] [-9.54843963e-03 -1.32482346e-03 4.21985514e-03] [-9.54843960e-03 -1.32482346e-03 -4.21985513e-03] [-1.80975237e-02 -1.11695572e-02 -1.03160813e-11] [ 1.72628906e-02 -2.27103095e-02 -1.00808164e-12] [-1.72628906e-02 2.27103095e-02 -3.88869492e-12] [ 1.80975237e-02 1.11695572e-02 8.66826714e-12] [-8.39906768e-03 1.54638182e-03 -4.13905046e-03] [ 8.39906771e-03 -1.54638181e-03 -4.13905044e-03] [-8.39906768e-03 1.54638182e-03 4.13905046e-03] [ 8.39906769e-03 -1.54638182e-03 4.13905045e-03] [ 9.54843966e-03 1.32482346e-03 4.21985509e-03] [ 9.54843964e-03 1.32482347e-03 -4.21985509e-03] [-9.54843964e-03 -1.32482346e-03 4.21985510e-03] [-9.54843966e-03 -1.32482344e-03 -4.21985510e-03] [-1.80975237e-02 -1.11695571e-02 1.34260170e-11] [ 1.72628906e-02 -2.27103095e-02 8.96414090e-12] [-1.72628906e-02 2.27103095e-02 1.63430901e-12] [ 1.80975237e-02 1.11695571e-02 4.39962086e-12]] Final stress: [-1.82832343e-03 -6.44083824e-04 -1.44713326e-03 -5.95541128e-16 4.28689801e-15 -2.82645468e-04] Minimization converged after 27 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61398387e-04 -2.52428287e-14 -1.68458997e-14] [-5.61398387e-04 -1.39888101e-14 -3.52773366e-14] [ 1.12201914e-14 6.73061227e-04 -5.71837729e-04] [ 1.19071419e-14 -6.73061227e-04 5.71837729e-04] [ 3.01772496e-14 -6.92107361e-04 5.09024840e-03] [-1.82076576e-14 6.92107361e-04 -5.09024840e-03] [ 5.61398387e-04 -1.09062065e-14 -2.49192583e-15] [-5.61398387e-04 1.46024685e-14 1.72655643e-14] [-3.24566762e-15 6.73061227e-04 -5.71837729e-04] [ 1.27419776e-14 -6.73061227e-04 5.71837729e-04] [-3.75797483e-14 -6.92107361e-04 5.09024840e-03] [-3.88547701e-14 6.92107361e-04 -5.09024840e-03] [ 4.66527644e-03 1.56516677e-03 -8.30339517e-04] [ 1.72216872e-03 -1.47332439e-03 -9.09331562e-04] [ 1.72216872e-03 1.47332439e-03 9.09331562e-04] [ 4.66527644e-03 -1.56516677e-03 8.30339517e-04] [-1.72216872e-03 1.47332439e-03 9.09331562e-04] [-4.66527644e-03 -1.56516677e-03 8.30339517e-04] [-1.72216872e-03 -1.47332439e-03 -9.09331562e-04] [-4.66527644e-03 1.56516677e-03 -8.30339517e-04] [ 4.66527644e-03 1.56516677e-03 -8.30339517e-04] [ 1.72216872e-03 -1.47332439e-03 -9.09331562e-04] [ 1.72216872e-03 1.47332439e-03 9.09331562e-04] [ 4.66527644e-03 -1.56516677e-03 8.30339517e-04] [-1.72216872e-03 1.47332439e-03 9.09331562e-04] [-4.66527644e-03 -1.56516677e-03 8.30339517e-04] [-1.72216872e-03 -1.47332439e-03 -9.09331562e-04] [-4.66527644e-03 1.56516677e-03 -8.30339517e-04] [ 7.28028748e-14 -1.71473946e-13 1.38777878e-16] [-4.05621717e-14 -6.89808453e-14 6.90303283e-14] [-9.20374887e-14 4.62135681e-03 3.58395967e-03] [ 1.35273737e-14 2.94262800e-03 -3.83044605e-03] [ 2.08149470e-14 -2.94262800e-03 3.83044605e-03] [ 4.31980840e-14 -4.62135681e-03 -3.58395967e-03] [ 8.25820881e-04 2.93895185e-03 -1.30958369e-04] [ 8.25820881e-04 -2.93895185e-03 1.30958369e-04] [-8.25820881e-04 2.93895185e-03 -1.30958369e-04] [-8.25820881e-04 -2.93895185e-03 1.30958369e-04] [ 2.53566241e-03 2.54118789e-03 2.86696300e-03] [-2.53566241e-03 2.54118789e-03 2.86696300e-03] [ 2.53566241e-03 -2.54118789e-03 -2.86696300e-03] [-2.53566241e-03 -2.54118789e-03 -2.86696300e-03] [ 1.20641344e-14 4.62135681e-03 3.58395967e-03] [ 6.32410790e-14 2.94262800e-03 -3.83044605e-03] [-4.32770139e-15 -2.94262800e-03 3.83044605e-03] [ 3.81491713e-14 -4.62135681e-03 -3.58395967e-03] [ 8.25820881e-04 2.93895185e-03 -1.30958369e-04] [ 8.25820881e-04 -2.93895185e-03 1.30958369e-04] [-8.25820882e-04 2.93895185e-03 -1.30958369e-04] [-8.25820882e-04 -2.93895185e-03 1.30958369e-04] [ 2.53566241e-03 2.54118789e-03 2.86696300e-03] [-2.53566241e-03 2.54118789e-03 2.86696300e-03] [ 2.53566241e-03 -2.54118789e-03 -2.86696300e-03] [-2.53566241e-03 -2.54118789e-03 -2.86696300e-03]] Final stress: [ 2.34242739e-04 2.35016352e-04 -9.62786432e-05 2.68729505e-04 1.12984775e-16 -4.81846835e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.61398391e-04 2.29629683e-14 -2.73522524e-15] [-5.61398391e-04 -7.34690087e-14 1.07969189e-14] [ 1.94258672e-14 6.73061234e-04 5.71837727e-04] [ 8.89566198e-14 -6.73061234e-04 -5.71837727e-04] [ 1.25520254e-14 6.92107361e-04 5.09024848e-03] [ 4.19386748e-14 -6.92107361e-04 -5.09024848e-03] [ 5.61398391e-04 -1.71030724e-14 3.40350451e-14] [-5.61398391e-04 7.47665818e-16 2.89137979e-15] [-2.68660962e-14 6.73061234e-04 5.71837727e-04] [-9.85583143e-15 -6.73061234e-04 -5.71837727e-04] [-5.04951983e-14 6.92107361e-04 5.09024848e-03] [ 9.69450215e-15 -6.92107361e-04 -5.09024848e-03] [-1.72216875e-03 1.47332442e-03 -9.09331561e-04] [-4.66527652e-03 -1.56516679e-03 -8.30339527e-04] [-4.66527652e-03 1.56516679e-03 8.30339527e-04] [-1.72216875e-03 -1.47332442e-03 9.09331561e-04] [ 4.66527652e-03 1.56516679e-03 8.30339527e-04] [ 1.72216875e-03 -1.47332442e-03 9.09331561e-04] [ 4.66527652e-03 -1.56516679e-03 -8.30339527e-04] [ 1.72216875e-03 1.47332442e-03 -9.09331561e-04] [-1.72216875e-03 1.47332442e-03 -9.09331561e-04] [-4.66527652e-03 -1.56516679e-03 -8.30339527e-04] [-4.66527652e-03 1.56516679e-03 8.30339527e-04] [-1.72216875e-03 -1.47332442e-03 9.09331561e-04] [ 4.66527652e-03 1.56516679e-03 8.30339527e-04] [ 1.72216875e-03 -1.47332442e-03 9.09331561e-04] [ 4.66527652e-03 -1.56516679e-03 -8.30339527e-04] [ 1.72216875e-03 1.47332442e-03 -9.09331561e-04] [ 1.21791466e-13 -8.86235529e-14 7.27196081e-15] [ 3.12462729e-14 -1.15622789e-13 -1.29413360e-14] [ 1.73194792e-14 -2.94262804e-03 -3.83044611e-03] [-7.11583570e-14 -4.62135689e-03 3.58395974e-03] [ 2.88085528e-14 4.62135689e-03 -3.58395974e-03] [-4.39717707e-14 2.94262804e-03 3.83044611e-03] [ 8.25820907e-04 -2.93895192e-03 -1.30958366e-04] [ 8.25820906e-04 2.93895192e-03 1.30958366e-04] [-8.25820907e-04 -2.93895192e-03 -1.30958366e-04] [-8.25820907e-04 2.93895192e-03 1.30958366e-04] [ 2.53566245e-03 2.54118793e-03 -2.86696307e-03] [-2.53566245e-03 2.54118793e-03 -2.86696307e-03] [ 2.53566245e-03 -2.54118793e-03 2.86696307e-03] [-2.53566245e-03 -2.54118793e-03 2.86696307e-03] [ 3.52851429e-14 -2.94262804e-03 -3.83044611e-03] [ 1.05999411e-13 -4.62135689e-03 3.58395974e-03] [ 5.12524051e-15 4.62135689e-03 -3.58395974e-03] [ 1.56640759e-13 2.94262804e-03 3.83044611e-03] [ 8.25820907e-04 -2.93895192e-03 -1.30958366e-04] [ 8.25820907e-04 2.93895192e-03 1.30958367e-04] [-8.25820907e-04 -2.93895192e-03 -1.30958366e-04] [-8.25820907e-04 2.93895192e-03 1.30958366e-04] [ 2.53566245e-03 2.54118793e-03 -2.86696307e-03] [-2.53566245e-03 2.54118793e-03 -2.86696307e-03] [ 2.53566245e-03 -2.54118793e-03 2.86696307e-03] [-2.53566245e-03 -2.54118793e-03 2.86696307e-03]] Final stress: [ 2.34242740e-04 2.35016353e-04 -9.62786459e-05 -2.68729505e-04 -5.98154692e-17 -3.48923570e-17] Minimization converged after 63 steps. Minimization converged after 62 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.73061226e-04 -2.66089234e-14 -5.71837728e-04] [-6.73061226e-04 -4.16333634e-14 5.71837728e-04] [ 1.34961486e-15 5.61398386e-04 -9.68973166e-15] [-6.13398221e-15 -5.61398386e-04 -5.16253706e-15] [-6.92107361e-04 -4.33047695e-14 5.09024839e-03] [ 6.92107361e-04 -6.12010442e-14 -5.09024839e-03] [ 6.73061226e-04 2.15118721e-14 -5.71837728e-04] [-6.73061226e-04 1.35200011e-14 5.71837728e-04] [ 2.53790045e-15 5.61398386e-04 -2.57710600e-15] [ 1.02522157e-15 -5.61398386e-04 -6.68437151e-15] [-6.92107361e-04 -1.83314017e-15 5.09024839e-03] [ 6.92107361e-04 -4.85911225e-15 -5.09024839e-03] [ 1.56516677e-03 4.66527643e-03 -8.30339516e-04] [-1.47332439e-03 1.72216872e-03 -9.09331562e-04] [-1.56516677e-03 4.66527643e-03 8.30339516e-04] [ 1.47332439e-03 1.72216872e-03 9.09331562e-04] [ 1.47332439e-03 -1.72216872e-03 9.09331562e-04] [-1.56516677e-03 -4.66527643e-03 8.30339516e-04] [ 1.56516677e-03 -4.66527643e-03 -8.30339516e-04] [-1.47332439e-03 -1.72216872e-03 -9.09331562e-04] [ 1.56516677e-03 4.66527643e-03 -8.30339516e-04] [-1.47332439e-03 1.72216872e-03 -9.09331562e-04] [-1.56516677e-03 4.66527643e-03 8.30339516e-04] [ 1.47332439e-03 1.72216872e-03 9.09331562e-04] [ 1.47332439e-03 -1.72216872e-03 9.09331562e-04] [-1.56516677e-03 -4.66527643e-03 8.30339516e-04] [ 1.56516677e-03 -4.66527643e-03 -8.30339516e-04] [-1.47332439e-03 -1.72216872e-03 -9.09331562e-04] [ 2.63511435e-13 -2.02615702e-14 1.33226763e-14] [-6.42207641e-14 -4.45353689e-14 -2.22371949e-14] [ 2.93895185e-03 8.25820878e-04 -1.30958369e-04] [ 2.93895185e-03 -8.25820878e-04 -1.30958369e-04] [-2.93895185e-03 8.25820878e-04 1.30958369e-04] [-2.93895185e-03 -8.25820878e-04 1.30958369e-04] [ 4.62135680e-03 -5.88418203e-15 3.58395967e-03] [-2.94262800e-03 -1.46029022e-14 3.83044604e-03] [ 2.94262800e-03 -1.35244246e-13 -3.83044604e-03] [-4.62135680e-03 -6.25229035e-14 -3.58395967e-03] [ 2.54118789e-03 2.53566240e-03 2.86696300e-03] [-2.54118789e-03 2.53566240e-03 -2.86696300e-03] [ 2.54118789e-03 -2.53566240e-03 2.86696300e-03] [-2.54118789e-03 -2.53566240e-03 -2.86696300e-03] [ 2.93895185e-03 8.25820878e-04 -1.30958369e-04] [ 2.93895185e-03 -8.25820878e-04 -1.30958369e-04] [-2.93895185e-03 8.25820878e-04 1.30958369e-04] [-2.93895185e-03 -8.25820878e-04 1.30958369e-04] [ 4.62135680e-03 -9.31598299e-15 3.58395967e-03] [-2.94262800e-03 3.77042148e-14 3.83044604e-03] [ 2.94262800e-03 -5.11474543e-14 -3.83044604e-03] [-4.62135680e-03 1.15940244e-14 -3.58395967e-03] [ 2.54118789e-03 2.53566240e-03 2.86696300e-03] [-2.54118789e-03 2.53566240e-03 -2.86696300e-03] [ 2.54118789e-03 -2.53566240e-03 2.86696300e-03] [-2.54118789e-03 -2.53566240e-03 -2.86696300e-03]] Final stress: [ 2.35016352e-04 2.34242739e-04 -9.62786429e-05 2.16000305e-17 2.68729505e-04 3.15692754e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.73061232e-04 1.89319047e-14 5.71837728e-04] [-6.73061232e-04 1.23234756e-14 -5.71837728e-04] [-5.22411975e-15 5.61398389e-04 -4.09208258e-14] [ 1.45994328e-14 -5.61398389e-04 -1.46549439e-14] [ 6.92107361e-04 5.20291275e-14 5.09024845e-03] [-6.92107361e-04 -8.32667268e-17 -5.09024845e-03] [ 6.73061232e-04 -1.18234415e-14 5.71837728e-04] [-6.73061231e-04 -4.33594133e-15 -5.71837728e-04] [ 6.44016090e-15 5.61398389e-04 -2.04054798e-14] [ 1.48965042e-14 -5.61398389e-04 -4.61452119e-14] [ 6.92107361e-04 -4.96310975e-14 5.09024845e-03] [-6.92107361e-04 -1.53832002e-14 -5.09024845e-03] [ 1.47332441e-03 -1.72216874e-03 -9.09331561e-04] [-1.56516679e-03 -4.66527649e-03 -8.30339523e-04] [-1.47332441e-03 -1.72216874e-03 9.09331561e-04] [ 1.56516679e-03 -4.66527649e-03 8.30339523e-04] [ 1.56516679e-03 4.66527649e-03 8.30339523e-04] [-1.47332441e-03 1.72216874e-03 9.09331561e-04] [ 1.47332441e-03 1.72216874e-03 -9.09331561e-04] [-1.56516679e-03 4.66527649e-03 -8.30339523e-04] [ 1.47332441e-03 -1.72216874e-03 -9.09331561e-04] [-1.56516679e-03 -4.66527649e-03 -8.30339523e-04] [-1.47332441e-03 -1.72216874e-03 9.09331561e-04] [ 1.56516679e-03 -4.66527649e-03 8.30339523e-04] [ 1.56516679e-03 4.66527649e-03 8.30339523e-04] [-1.47332441e-03 1.72216874e-03 9.09331561e-04] [ 1.47332441e-03 1.72216874e-03 -9.09331561e-04] [-1.56516679e-03 4.66527649e-03 -8.30339523e-04] [ 1.82409643e-13 6.71962486e-14 7.39686090e-14] [-9.75478379e-14 -9.60095046e-14 -1.34675657e-14] [-2.93895189e-03 8.25820898e-04 -1.30958368e-04] [-2.93895189e-03 -8.25820898e-04 -1.30958368e-04] [ 2.93895189e-03 8.25820898e-04 1.30958368e-04] [ 2.93895189e-03 -8.25820898e-04 1.30958367e-04] [-2.94262802e-03 -1.46549439e-14 -3.83044609e-03] [ 4.62135686e-03 3.75741105e-14 -3.58395971e-03] [-4.62135686e-03 -7.53615920e-14 3.58395971e-03] [ 2.94262802e-03 -1.75588710e-14 3.83044609e-03] [ 2.54118792e-03 2.53566243e-03 -2.86696304e-03] [-2.54118792e-03 2.53566243e-03 2.86696304e-03] [ 2.54118792e-03 -2.53566243e-03 -2.86696305e-03] [-2.54118792e-03 -2.53566243e-03 2.86696304e-03] [-2.93895189e-03 8.25820898e-04 -1.30958368e-04] [-2.93895189e-03 -8.25820898e-04 -1.30958368e-04] [ 2.93895189e-03 8.25820898e-04 1.30958368e-04] [ 2.93895189e-03 -8.25820898e-04 1.30958368e-04] [-2.94262802e-03 -4.62094826e-14 -3.83044609e-03] [ 4.62135686e-03 -2.91479080e-14 -3.58395971e-03] [-4.62135686e-03 -2.02455240e-14 3.58395971e-03] [ 2.94262802e-03 -7.93419150e-15 3.83044609e-03] [ 2.54118792e-03 2.53566243e-03 -2.86696305e-03] [-2.54118792e-03 2.53566243e-03 2.86696305e-03] [ 2.54118792e-03 -2.53566243e-03 -2.86696305e-03] [-2.54118792e-03 -2.53566243e-03 2.86696305e-03]] Final stress: [ 2.35016353e-04 2.34242740e-04 -9.62786449e-05 -2.16000305e-17 -2.68729505e-04 -9.96924486e-18] Minimization converged after 60 steps. Minimization converged after 64 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.23972543e-04 9.23207632e-04 3.63858249e-15] [ 2.23972543e-04 -9.23207632e-04 2.10942375e-15] [ 9.23207632e-04 -2.23972543e-04 1.01828268e-15] [-9.23207632e-04 2.23972543e-04 4.71844785e-15] [-6.16260515e-16 -4.36369690e-15 -1.70248300e-03] [ 5.96744876e-15 -4.02455846e-15 1.70248300e-03] [-2.23972543e-04 9.23207632e-04 -5.97343021e-15] [ 2.23972543e-04 -9.23207632e-04 -1.45424035e-15] [ 9.23207632e-04 -2.23972543e-04 -2.66668694e-16] [-9.23207632e-04 2.23972543e-04 -5.66440188e-15] [-2.29503916e-15 -1.37775542e-15 -1.70248300e-03] [-7.60936453e-15 1.89683372e-15 1.70248300e-03] [-8.01450828e-04 -8.01450828e-04 -2.65072948e-05] [ 8.01450828e-04 8.01450828e-04 -2.65072948e-05] [ 1.96190905e-04 -1.96190905e-04 -1.23903589e-03] [-1.96190905e-04 1.96190905e-04 -1.23903589e-03] [-8.01450828e-04 -8.01450828e-04 2.65072948e-05] [ 8.01450828e-04 8.01450828e-04 2.65072948e-05] [-1.96190905e-04 1.96190905e-04 1.23903589e-03] [ 1.96190905e-04 -1.96190905e-04 1.23903589e-03] [-8.01450828e-04 -8.01450828e-04 -2.65072948e-05] [ 8.01450828e-04 8.01450828e-04 -2.65072948e-05] [ 1.96190905e-04 -1.96190905e-04 -1.23903589e-03] [-1.96190905e-04 1.96190905e-04 -1.23903589e-03] [-8.01450828e-04 -8.01450828e-04 2.65072948e-05] [ 8.01450828e-04 8.01450828e-04 2.65072948e-05] [-1.96190906e-04 1.96190905e-04 1.23903589e-03] [ 1.96190905e-04 -1.96190905e-04 1.23903589e-03] [ 2.65065747e-14 -3.86357613e-14 4.49640325e-15] [-1.71733287e-14 2.57887651e-16 -9.55825100e-15] [-2.72814008e-04 1.55869503e-04 1.24621250e-04] [ 2.72814008e-04 -1.55869503e-04 1.24621250e-04] [-2.72814008e-04 1.55869503e-04 -1.24621250e-04] [ 2.72814007e-04 -1.55869503e-04 -1.24621250e-04] [ 1.55869503e-04 -2.72814008e-04 1.24621250e-04] [ 1.55869503e-04 -2.72814007e-04 -1.24621250e-04] [-1.55869503e-04 2.72814008e-04 1.24621250e-04] [-1.55869503e-04 2.72814008e-04 -1.24621250e-04] [-2.06392318e-03 -2.06392318e-03 1.56541446e-14] [-2.15955790e-04 2.15955790e-04 9.97465999e-15] [ 2.15955790e-04 -2.15955790e-04 -6.66654232e-15] [ 2.06392318e-03 2.06392318e-03 -2.74259782e-15] [-2.72814007e-04 1.55869503e-04 1.24621250e-04] [ 2.72814008e-04 -1.55869503e-04 1.24621250e-04] [-2.72814007e-04 1.55869503e-04 -1.24621250e-04] [ 2.72814008e-04 -1.55869503e-04 -1.24621250e-04] [ 1.55869503e-04 -2.72814008e-04 1.24621250e-04] [ 1.55869503e-04 -2.72814008e-04 -1.24621250e-04] [-1.55869503e-04 2.72814008e-04 1.24621250e-04] [-1.55869503e-04 2.72814008e-04 -1.24621250e-04] [-2.06392318e-03 -2.06392318e-03 2.16170598e-14] [-2.15955790e-04 2.15955790e-04 -5.65918975e-15] [ 2.15955790e-04 -2.15955790e-04 9.03262382e-15] [ 2.06392318e-03 2.06392318e-03 9.21832055e-15]] Final stress: [-2.18700662e-04 -2.18700662e-04 -1.51293801e-05 -1.16446589e-17 3.32704541e-18 -2.68284733e-04] Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 27 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.25761878e-03 -1.07019428e-14 3.02700573e-14] [-3.25761878e-03 -9.52016244e-15 -4.44089210e-15] [-2.94586404e-14 3.25761878e-03 -1.25689389e-14] [-4.38538095e-15 -3.25761878e-03 -3.84692278e-14] [-1.20554608e-14 1.83273535e-14 5.49601000e-04] [-3.59157148e-14 7.85482790e-15 -5.49601000e-04] [ 3.25761878e-03 1.81001047e-14 2.86197172e-15] [-3.25761878e-03 2.64571351e-14 -4.47572375e-15] [-3.09257828e-15 3.25761878e-03 -5.57357152e-15] [-1.60635394e-14 -3.25761878e-03 -2.15470624e-14] [-1.44910126e-14 -3.52242496e-15 5.49601000e-04] [-8.73303166e-15 1.02402570e-14 -5.49601000e-04] [ 6.54150834e-05 6.54150833e-05 1.45790461e-03] [-6.54150833e-05 -6.54150833e-05 1.45790461e-03] [-6.54150832e-05 6.54150832e-05 -1.45790461e-03] [ 6.54150832e-05 -6.54150832e-05 -1.45790461e-03] [ 6.54150832e-05 6.54150833e-05 -1.45790461e-03] [-6.54150833e-05 -6.54150833e-05 -1.45790461e-03] [ 6.54150833e-05 -6.54150833e-05 1.45790461e-03] [-6.54150833e-05 6.54150833e-05 1.45790461e-03] [ 6.54150834e-05 6.54150832e-05 1.45790461e-03] [-6.54150833e-05 -6.54150832e-05 1.45790461e-03] [-6.54150833e-05 6.54150834e-05 -1.45790461e-03] [ 6.54150834e-05 -6.54150832e-05 -1.45790461e-03] [ 6.54150832e-05 6.54150832e-05 -1.45790461e-03] [-6.54150833e-05 -6.54150833e-05 -1.45790461e-03] [ 6.54150831e-05 -6.54150832e-05 1.45790461e-03] [-6.54150833e-05 6.54150832e-05 1.45790461e-03] [ 1.38944412e-13 -1.27065025e-13 2.31314967e-13] [-3.60675032e-14 -1.51081404e-14 -2.42415749e-14] [-1.20903287e-13 1.81787663e-04 8.03691211e-04] [-1.57375848e-13 -1.81787663e-04 8.03691211e-04] [-8.08554612e-14 1.81787662e-04 -8.03691211e-04] [-2.15518575e-13 -1.81787662e-04 -8.03691212e-04] [ 1.81787662e-04 -1.53210777e-14 8.03691212e-04] [ 1.81787662e-04 4.28129754e-15 -8.03691212e-04] [-1.81787662e-04 -1.27398092e-14 8.03691211e-04] [-1.81787662e-04 7.03933439e-14 -8.03691211e-04] [-5.30726765e-04 -5.30726765e-04 7.13873405e-14] [ 5.30726765e-04 -5.30726765e-04 3.99767025e-14] [-5.30726765e-04 5.30726765e-04 -1.06525899e-13] [ 5.30726765e-04 5.30726765e-04 -1.57552790e-13] [ 7.23305964e-14 1.81787662e-04 8.03691212e-04] [ 1.24312886e-13 -1.81787662e-04 8.03691212e-04] [ 4.04867112e-14 1.81787662e-04 -8.03691212e-04] [ 9.99304806e-14 -1.81787662e-04 -8.03691212e-04] [ 1.81787662e-04 -3.86686835e-14 8.03691211e-04] [ 1.81787663e-04 -1.75104289e-13 -8.03691211e-04] [-1.81787662e-04 -2.48467046e-13 8.03691212e-04] [-1.81787662e-04 -2.02471720e-13 -8.03691211e-04] [-5.30726765e-04 -5.30726765e-04 2.55495522e-13] [ 5.30726765e-04 -5.30726765e-04 3.06318820e-13] [-5.30726765e-04 5.30726765e-04 1.94477081e-13] [ 5.30726765e-04 5.30726765e-04 2.29941066e-13]] Final stress: [ 1.20572444e-04 1.20572444e-04 3.14831622e-04 1.72774429e-16 1.01338848e-16 -4.98387776e-18] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.47763007e-03 2.90340668e-14 1.32227996e-13] [ 5.47763007e-03 3.44446693e-14 8.87623308e-14] [-4.80266868e-14 -5.47763007e-03 5.20100456e-14] [ 7.29971639e-15 5.47763007e-03 1.68476344e-14] [-2.55320938e-14 1.56064398e-14 -8.84608609e-04] [-1.62925229e-14 7.26363414e-14 8.84608609e-04] [-5.47763007e-03 3.88894646e-14 4.58145667e-14] [ 5.47763007e-03 9.87057658e-14 -3.10357689e-14] [-8.86075067e-14 -5.47763007e-03 3.37982552e-14] [-9.01514106e-14 5.47763007e-03 -7.29557216e-14] [-5.66868601e-14 4.68957903e-14 -8.84608609e-04] [-5.03460121e-15 6.46950924e-14 8.84608609e-04] [-2.21070978e-04 -2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 -2.21070978e-04 2.42078352e-03] [-2.21070978e-04 2.21070978e-04 2.42078352e-03] [-2.21070978e-04 -2.21070978e-04 2.42078352e-03] [ 2.21070978e-04 2.21070978e-04 2.42078352e-03] [-2.21070978e-04 2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 -2.21070978e-04 -2.42078352e-03] [-2.21070978e-04 -2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 -2.21070978e-04 2.42078352e-03] [-2.21070978e-04 2.21070978e-04 2.42078352e-03] [-2.21070978e-04 -2.21070978e-04 2.42078352e-03] [ 2.21070978e-04 2.21070978e-04 2.42078352e-03] [-2.21070978e-04 2.21070978e-04 -2.42078352e-03] [ 2.21070978e-04 -2.21070978e-04 -2.42078352e-03] [ 3.59101637e-13 -2.86742852e-13 6.46177556e-13] [-2.66720240e-13 1.64126525e-14 1.62239269e-14] [ 1.02695630e-13 -5.79291152e-04 -9.57318633e-04] [-3.60978608e-14 5.79291152e-04 -9.57318633e-04] [ 4.94500274e-14 -5.79291152e-04 9.57318633e-04] [-2.19340171e-13 5.79291153e-04 9.57318632e-04] [-5.79291152e-04 -2.69229083e-13 -9.57318632e-04] [-5.79291153e-04 -7.16128545e-14 9.57318632e-04] [ 5.79291152e-04 -6.38759878e-14 -9.57318633e-04] [ 5.79291152e-04 -1.96891115e-15 9.57318633e-04] [ 1.04051272e-03 1.04051272e-03 -1.49991131e-13] [-1.04051272e-03 1.04051272e-03 7.82533760e-15] [ 1.04051272e-03 -1.04051272e-03 -1.73284997e-13] [-1.04051272e-03 -1.04051272e-03 -8.74370021e-14] [ 1.77892857e-13 -5.79291153e-04 -9.57318632e-04] [ 1.04812860e-13 5.79291152e-04 -9.57318632e-04] [ 2.89468102e-13 -5.79291152e-04 9.57318633e-04] [ 2.86679101e-13 5.79291152e-04 9.57318633e-04] [-5.79291152e-04 -3.32232532e-13 -9.57318633e-04] [-5.79291152e-04 -2.50300648e-13 9.57318633e-04] [ 5.79291152e-04 -4.54979804e-13 -9.57318632e-04] [ 5.79291152e-04 -2.35157813e-13 9.57318633e-04] [ 1.04051272e-03 1.04051272e-03 5.44062063e-13] [-1.04051272e-03 1.04051272e-03 3.50935596e-13] [ 1.04051272e-03 -1.04051272e-03 2.99209855e-13] [-1.04051272e-03 -1.04051272e-03 3.34793391e-13]] Final stress: [-8.85900700e-05 -8.85900700e-05 -3.49854506e-04 1.29774056e-16 2.99478591e-17 -1.48075526e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 3.25683269e-03 3.92533228e-14 5.58095237e-14] [-3.25683269e-03 1.36557432e-14 7.27196081e-15] [ 2.69528323e-14 5.48612341e-04 3.81751922e-14] [ 5.16531262e-14 -5.48612341e-04 -1.67366121e-14] [-3.90646716e-14 -2.47579734e-14 3.25683269e-03] [ 5.31519273e-14 -1.02973186e-14 -3.25683269e-03] [ 3.25683269e-03 1.12505491e-14 -2.09788784e-14] [-3.25683269e-03 6.67651698e-15 1.24147543e-14] [ 1.30880549e-14 5.48612341e-04 2.14706274e-14] [-2.56344425e-14 -5.48612341e-04 -7.51671150e-15] [ 3.01711781e-15 1.87865315e-14 3.25683269e-03] [-2.70070424e-14 -5.07223459e-15 -3.25683269e-03] [ 6.55159129e-05 1.45790901e-03 6.55159129e-05] [-6.55159128e-05 -1.45790901e-03 6.55159128e-05] [-6.55159127e-05 1.45790901e-03 -6.55159128e-05] [ 6.55159128e-05 -1.45790901e-03 -6.55159129e-05] [ 6.55159128e-05 1.45790901e-03 -6.55159129e-05] [-6.55159128e-05 -1.45790901e-03 -6.55159126e-05] [ 6.55159129e-05 -1.45790901e-03 6.55159129e-05] [-6.55159128e-05 1.45790901e-03 6.55159128e-05] [ 6.55159127e-05 1.45790901e-03 6.55159127e-05] [-6.55159128e-05 -1.45790901e-03 6.55159127e-05] [-6.55159129e-05 1.45790901e-03 -6.55159129e-05] [ 6.55159128e-05 -1.45790901e-03 -6.55159129e-05] [ 6.55159128e-05 1.45790901e-03 -6.55159129e-05] [-6.55159129e-05 -1.45790901e-03 -6.55159129e-05] [ 6.55159127e-05 -1.45790901e-03 6.55159127e-05] [-6.55159128e-05 1.45790901e-03 6.55159127e-05] [ 2.11247686e-13 -5.97299987e-14 3.13804538e-13] [-2.03916745e-14 -1.89264259e-14 -6.40377815e-14] [ 1.03250741e-14 8.03505101e-04 1.82238100e-04] [ 2.53443100e-14 -8.03505101e-04 1.82238100e-04] [ 1.06690698e-13 8.03505101e-04 -1.82238100e-04] [-3.20403426e-14 -8.03505101e-04 -1.82238100e-04] [-5.30491953e-04 -3.41948692e-14 -5.30491953e-04] [-5.30491953e-04 -9.27816851e-14 5.30491953e-04] [ 5.30491952e-04 9.50454992e-15 -5.30491953e-04] [ 5.30491953e-04 -3.32026073e-14 5.30491953e-04] [ 1.82238100e-04 8.03505101e-04 -1.07136522e-13] [-1.82238100e-04 8.03505101e-04 -3.35547562e-14] [ 1.82238100e-04 -8.03505101e-04 2.97487729e-14] [-1.82238100e-04 -8.03505101e-04 -6.95069002e-14] [-4.28997116e-14 8.03505101e-04 1.82238100e-04] [-6.95069002e-14 -8.03505101e-04 1.82238100e-04] [ 4.53521769e-14 8.03505101e-04 -1.82238100e-04] [ 2.16405886e-13 -8.03505101e-04 -1.82238100e-04] [-5.30491953e-04 -2.08058698e-14 -5.30491953e-04] [-5.30491953e-04 -6.05305736e-14 5.30491953e-04] [ 5.30491953e-04 -1.79340483e-13 -5.30491953e-04] [ 5.30491953e-04 -3.76820970e-14 5.30491953e-04] [ 1.82238100e-04 8.03505101e-04 2.64632977e-13] [-1.82238100e-04 8.03505101e-04 6.91487612e-14] [ 1.82238100e-04 -8.03505101e-04 2.77111559e-13] [-1.82238100e-04 -8.03505101e-04 1.20385472e-14]] Final stress: [ 1.20570406e-04 3.14826015e-04 1.20570406e-04 1.89387355e-16 -7.14355812e-17 5.81452405e-17] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.49580684e-03 -7.80439081e-14 -1.24449496e-13] [ 5.49580684e-03 -1.71529457e-14 -1.85962357e-14] [-1.81295950e-14 -9.19406243e-04 -2.04849158e-14] [-6.85007606e-14 9.19406243e-04 -4.46032100e-14] [-4.13245826e-14 -4.51201576e-15 -5.49580684e-03] [-1.04971587e-13 -4.47419879e-14 5.49580684e-03] [-5.49580684e-03 1.51499473e-13 -2.50500910e-15] [ 5.49580684e-03 -5.58450855e-14 -5.88660404e-14] [-1.83585785e-14 -9.19406243e-04 -6.28575007e-15] [-2.66800471e-14 9.19406243e-04 9.76978122e-14] [-3.83824916e-14 1.19461732e-14 -5.49580684e-03] [-2.13097769e-14 7.07685959e-14 5.49580684e-03] [-2.13458960e-04 -2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 -2.41175524e-03 2.13458960e-04] [-2.13458960e-04 2.41175524e-03 2.13458960e-04] [-2.13458960e-04 -2.41175524e-03 2.13458960e-04] [ 2.13458960e-04 2.41175524e-03 2.13458960e-04] [-2.13458960e-04 2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 -2.41175524e-03 -2.13458960e-04] [-2.13458960e-04 -2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 -2.41175524e-03 2.13458960e-04] [-2.13458960e-04 2.41175524e-03 2.13458960e-04] [-2.13458960e-04 -2.41175524e-03 2.13458960e-04] [ 2.13458960e-04 2.41175524e-03 2.13458960e-04] [-2.13458960e-04 2.41175524e-03 -2.13458960e-04] [ 2.13458960e-04 -2.41175524e-03 -2.13458960e-04] [ 1.51323398e-13 1.98729921e-14 3.29486438e-13] [ 4.67304147e-14 -1.66224930e-13 3.92919147e-14] [-2.91211499e-13 -9.47047790e-04 -5.50262201e-04] [-1.13535917e-13 9.47047790e-04 -5.50262201e-04] [-1.97723782e-13 -9.47047790e-04 5.50262201e-04] [ 2.01885383e-13 9.47047790e-04 5.50262201e-04] [ 1.05645620e-03 1.01474384e-13 1.05645620e-03] [ 1.05645620e-03 -3.91874033e-15 -1.05645621e-03] [-1.05645620e-03 -2.12925164e-13 1.05645620e-03] [-1.05645620e-03 1.60271102e-14 -1.05645620e-03] [-5.50262200e-04 -9.47047791e-04 2.51465515e-13] [ 5.50262200e-04 -9.47047791e-04 -1.03129311e-14] [-5.50262200e-04 9.47047791e-04 1.41348738e-13] [ 5.50262200e-04 9.47047791e-04 -1.74775125e-13] [ 3.10560171e-13 -9.47047791e-04 -5.50262200e-04] [ 2.72833839e-13 9.47047791e-04 -5.50262200e-04] [ 2.38859280e-13 -9.47047791e-04 5.50262201e-04] [-9.82360894e-14 9.47047791e-04 5.50262200e-04] [ 1.05645620e-03 -1.65343355e-13 1.05645620e-03] [ 1.05645621e-03 -1.94699075e-13 -1.05645620e-03] [-1.05645621e-03 4.74446871e-15 1.05645620e-03] [-1.05645620e-03 1.61168821e-14 -1.05645620e-03] [-5.50262201e-04 -9.47047790e-04 1.55431250e-13] [ 5.50262201e-04 -9.47047790e-04 4.35535688e-13] [-5.50262201e-04 9.47047791e-04 3.64361576e-13] [ 5.50262201e-04 9.47047790e-04 2.84126021e-13]] Final stress: [-8.91924976e-05 -3.50084384e-04 -8.91924976e-05 -1.38092906e-16 1.16463896e-17 2.34591563e-16] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-6.78924683e-02 4.40143256e-13 1.68705870e-13] [ 6.78924683e-02 3.49220652e-13 3.52495810e-14] [-1.23370324e-12 4.50505479e-03 -9.19206249e-03] [ 8.56814619e-14 -4.50505479e-03 9.19206249e-03] [-4.09498824e-14 -9.19206249e-03 4.50505479e-03] [-1.01035846e-12 9.19206249e-03 -4.50505479e-03] [-6.78924683e-02 -2.42699957e-13 -1.13189106e-12] [ 6.78924683e-02 4.66123667e-13 -1.35111651e-13] [-2.09688473e-12 4.50505479e-03 -9.19206249e-03] [-3.62279217e-13 -4.50505479e-03 9.19206249e-03] [ 1.95118617e-12 -9.19206249e-03 4.50505479e-03] [-5.55825351e-13 9.19206249e-03 -4.50505479e-03] [ 6.39951481e-02 -1.65146008e-02 -1.65146008e-02] [ 2.70574165e-02 3.94595703e-02 -3.94595703e-02] [ 2.70574165e-02 -3.94595703e-02 3.94595703e-02] [ 6.39951481e-02 1.65146008e-02 1.65146008e-02] [-2.70574165e-02 -3.94595703e-02 3.94595703e-02] [-6.39951481e-02 1.65146008e-02 1.65146008e-02] [-2.70574165e-02 3.94595703e-02 -3.94595703e-02] [-6.39951481e-02 -1.65146008e-02 -1.65146008e-02] [ 6.39951481e-02 -1.65146008e-02 -1.65146008e-02] [ 2.70574165e-02 3.94595703e-02 -3.94595703e-02] [ 2.70574165e-02 -3.94595703e-02 3.94595703e-02] [ 6.39951481e-02 1.65146008e-02 1.65146008e-02] [-2.70574165e-02 -3.94595703e-02 3.94595703e-02] [-6.39951481e-02 1.65146008e-02 1.65146008e-02] [-2.70574165e-02 3.94595703e-02 -3.94595703e-02] [-6.39951481e-02 -1.65146008e-02 -1.65146008e-02] [ 2.51201837e-12 2.50757748e-12 3.43325368e-12] [-2.22843185e-12 -3.16444534e-12 -3.64308945e-12] [-3.26738636e-13 1.33148644e-01 1.33148644e-01] [ 7.49053597e-13 9.89231642e-02 -9.89231642e-02] [ 2.27688354e-12 -9.89231642e-02 9.89231642e-02] [-1.89846923e-12 -1.33148644e-01 -1.33148644e-01] [-2.94679952e-04 2.92234960e-02 3.93688542e-02] [-2.94679947e-04 -2.92234960e-02 -3.93688542e-02] [ 2.94679950e-04 2.92234960e-02 3.93688542e-02] [ 2.94679952e-04 -2.92234960e-02 -3.93688542e-02] [-2.94679950e-04 3.93688542e-02 2.92234960e-02] [ 2.94679948e-04 3.93688542e-02 2.92234960e-02] [-2.94679946e-04 -3.93688542e-02 -2.92234960e-02] [ 2.94679947e-04 -3.93688542e-02 -2.92234960e-02] [-3.15658220e-12 1.33148644e-01 1.33148644e-01] [-1.93991784e-12 9.89231642e-02 -9.89231642e-02] [ 8.12881446e-13 -9.89231642e-02 9.89231642e-02] [ 2.03705108e-12 -1.33148644e-01 -1.33148644e-01] [-2.94679946e-04 2.92234960e-02 3.93688542e-02] [-2.94679948e-04 -2.92234960e-02 -3.93688542e-02] [ 2.94679947e-04 2.92234960e-02 3.93688542e-02] [ 2.94679950e-04 -2.92234960e-02 -3.93688542e-02] [-2.94679950e-04 3.93688542e-02 2.92234960e-02] [ 2.94679954e-04 3.93688542e-02 2.92234960e-02] [-2.94679951e-04 -3.93688542e-02 -2.92234960e-02] [ 2.94679949e-04 -3.93688542e-02 -2.92234960e-02]] Final stress: [ 2.83339897e-04 -4.12199749e-04 -4.12199749e-04 -1.19617696e-04 2.11719043e-15 -5.51666980e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-6.93209393e-02 -4.78399221e-13 -4.81515869e-14] [ 6.93209393e-02 5.70044012e-13 -6.07042194e-13] [-6.58362254e-14 -1.95593701e-04 -2.03425720e-03] [ 5.82617288e-13 1.95593702e-04 2.03425720e-03] [ 4.79733874e-13 -2.03425720e-03 -1.95593704e-04] [ 1.48916990e-12 2.03425720e-03 1.95593697e-04] [-6.93209393e-02 4.20030764e-13 3.70401630e-13] [ 6.93209393e-02 -1.40850265e-12 -1.07740590e-12] [-4.23654601e-13 -1.95593699e-04 -2.03425720e-03] [-1.08408074e-13 1.95593703e-04 2.03425720e-03] [ 9.52831564e-14 -2.03425720e-03 -1.95593703e-04] [ 1.76266987e-13 2.03425720e-03 1.95593699e-04] [-3.13599287e-02 -3.66436931e-02 -3.66436931e-02] [-7.12933827e-02 1.70064234e-02 -1.70064234e-02] [-7.12933827e-02 -1.70064234e-02 1.70064234e-02] [-3.13599287e-02 3.66436931e-02 3.66436931e-02] [ 7.12933827e-02 -1.70064234e-02 1.70064234e-02] [ 3.13599287e-02 3.66436931e-02 3.66436931e-02] [ 7.12933827e-02 1.70064234e-02 -1.70064234e-02] [ 3.13599287e-02 -3.66436931e-02 -3.66436931e-02] [-3.13599287e-02 -3.66436931e-02 -3.66436931e-02] [-7.12933827e-02 1.70064234e-02 -1.70064234e-02] [-7.12933827e-02 -1.70064234e-02 1.70064234e-02] [-3.13599287e-02 3.66436931e-02 3.66436931e-02] [ 7.12933827e-02 -1.70064234e-02 1.70064234e-02] [ 3.13599287e-02 3.66436931e-02 3.66436931e-02] [ 7.12933827e-02 1.70064234e-02 -1.70064234e-02] [ 3.13599287e-02 -3.66436931e-02 -3.66436931e-02] [ 4.78311835e-13 -1.39829814e-12 3.32742167e-12] [ 3.34545759e-14 -3.81438687e-12 1.22281457e-12] [-2.73958634e-12 -9.46671389e-02 -9.46671390e-02] [ 2.15402002e-12 -1.31701394e-01 1.31701394e-01] [-2.30042374e-12 1.31701394e-01 -1.31701394e-01] [ 1.64373723e-12 9.46671390e-02 9.46671390e-02] [-9.87565654e-04 -2.74152555e-02 4.12976843e-02] [-9.87565650e-04 2.74152555e-02 -4.12976843e-02] [ 9.87565652e-04 -2.74152555e-02 4.12976843e-02] [ 9.87565652e-04 2.74152555e-02 -4.12976843e-02] [-9.87565649e-04 4.12976843e-02 -2.74152555e-02] [ 9.87565651e-04 4.12976843e-02 -2.74152555e-02] [-9.87565647e-04 -4.12976843e-02 2.74152555e-02] [ 9.87565651e-04 -4.12976843e-02 2.74152555e-02] [-1.93127068e-12 -9.46671390e-02 -9.46671390e-02] [-5.06839796e-13 -1.31701394e-01 1.31701394e-01] [ 3.52052588e-13 1.31701394e-01 -1.31701394e-01] [-1.20063898e-12 9.46671390e-02 9.46671389e-02] [-9.87565652e-04 -2.74152555e-02 4.12976843e-02] [-9.87565649e-04 2.74152555e-02 -4.12976843e-02] [ 9.87565650e-04 -2.74152555e-02 4.12976843e-02] [ 9.87565647e-04 2.74152555e-02 -4.12976843e-02] [-9.87565654e-04 4.12976843e-02 -2.74152555e-02] [ 9.87565649e-04 4.12976843e-02 -2.74152555e-02] [-9.87565647e-04 -4.12976843e-02 2.74152555e-02] [ 9.87565654e-04 -4.12976843e-02 2.74152555e-02]] Final stress: [ 3.54032850e-04 -4.31434239e-04 -4.31434239e-04 3.36415572e-05 1.76293940e-15 -2.40158915e-15] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.49235192e-02 3.21138081e-13 -1.56143294e-02] [ 5.49235192e-02 -6.55780985e-13 1.56143294e-02] [-4.69779163e-13 -1.98753991e-02 2.88094201e-14] [-1.48575596e-13 1.98753991e-02 1.24067423e-14] [-7.77290475e-03 -3.97632014e-13 -9.79346083e-03] [ 7.77290475e-03 -6.18394225e-13 9.79346082e-03] [-5.49235192e-02 -9.40724061e-13 -1.56143294e-02] [ 5.49235192e-02 1.59616244e-13 1.56143294e-02] [-1.80418267e-12 -1.98753991e-02 3.82468143e-14] [-1.69819020e-12 1.98753991e-02 -2.28616376e-13] [-7.77290475e-03 3.20364651e-13 -9.79346082e-03] [ 7.77290475e-03 -1.28349320e-13 9.79346083e-03] [ 3.04693096e-02 2.34087426e-02 -3.62566749e-03] [-1.33497268e-02 7.70291495e-02 -4.25942830e-02] [-3.04693096e-02 2.34087426e-02 3.62566749e-03] [ 1.33497268e-02 7.70291495e-02 4.25942830e-02] [ 1.33497268e-02 -7.70291495e-02 4.25942830e-02] [-3.04693096e-02 -2.34087426e-02 3.62566749e-03] [ 3.04693096e-02 -2.34087426e-02 -3.62566749e-03] [-1.33497268e-02 -7.70291495e-02 -4.25942830e-02] [ 3.04693096e-02 2.34087426e-02 -3.62566749e-03] [-1.33497268e-02 7.70291495e-02 -4.25942830e-02] [-3.04693096e-02 2.34087426e-02 3.62566749e-03] [ 1.33497268e-02 7.70291495e-02 4.25942830e-02] [ 1.33497268e-02 -7.70291495e-02 4.25942830e-02] [-3.04693096e-02 -2.34087426e-02 3.62566749e-03] [ 3.04693096e-02 -2.34087426e-02 -3.62566749e-03] [-1.33497268e-02 -7.70291495e-02 -4.25942830e-02] [ 2.19596563e-12 -1.17128529e-12 3.79191123e-12] [-4.99684582e-12 9.87617398e-14 5.80091932e-13] [ 1.00936473e-02 3.11234434e-03 9.26619463e-03] [ 1.00936473e-02 -3.11234434e-03 9.26619463e-03] [-1.00936473e-02 3.11234434e-03 -9.26619463e-03] [-1.00936473e-02 -3.11234434e-03 -9.26619463e-03] [ 9.39387059e-02 -1.42419410e-12 1.25714068e-01] [-1.01873388e-01 -5.83958229e-13 7.04845563e-02] [ 1.01873388e-01 -3.57379057e-13 -7.04845564e-02] [-9.39387059e-02 1.06008778e-12 -1.25714068e-01] [ 7.42465425e-03 2.93465764e-02 2.67781425e-02] [-7.42465426e-03 2.93465764e-02 -2.67781425e-02] [ 7.42465425e-03 -2.93465764e-02 2.67781425e-02] [-7.42465426e-03 -2.93465764e-02 -2.67781425e-02] [ 1.00936473e-02 3.11234434e-03 9.26619463e-03] [ 1.00936473e-02 -3.11234434e-03 9.26619463e-03] [-1.00936473e-02 3.11234434e-03 -9.26619463e-03] [-1.00936473e-02 -3.11234434e-03 -9.26619463e-03] [ 9.39387059e-02 -8.52625275e-13 1.25714068e-01] [-1.01873388e-01 1.70580694e-12 7.04845564e-02] [ 1.01873388e-01 -8.48688741e-13 -7.04845564e-02] [-9.39387059e-02 -2.07424355e-13 -1.25714068e-01] [ 7.42465426e-03 2.93465764e-02 2.67781425e-02] [-7.42465425e-03 2.93465764e-02 -2.67781425e-02] [ 7.42465425e-03 -2.93465764e-02 2.67781425e-02] [-7.42465425e-03 -2.93465764e-02 -2.67781425e-02]] Final stress: [ 4.47350937e-04 -9.19907232e-04 -1.01798664e-03 2.25523191e-15 1.78396965e-04 -6.98523159e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.48575531e-02 -6.90971152e-13 1.61538985e-02] [ 5.48575531e-02 -1.41317513e-12 -1.61538985e-02] [-5.44626410e-13 -1.95816470e-02 7.37293906e-13] [-3.14720472e-13 1.95816470e-02 -1.27878264e-12] [ 8.31507835e-03 -7.34036529e-13 -9.50876154e-03] [-8.31507835e-03 8.16929857e-13 9.50876154e-03] [-5.48575531e-02 -1.23073340e-12 1.61538985e-02] [ 5.48575531e-02 -1.18418860e-12 -1.61538985e-02] [ 6.58986754e-14 -1.95816470e-02 4.62004003e-13] [-1.52065209e-12 1.95816470e-02 -1.49795478e-12] [ 8.31507835e-03 1.31506192e-12 -9.50876154e-03] [-8.31507835e-03 1.22327379e-14 9.50876154e-03] [ 1.32363691e-02 -7.66820540e-02 -4.27193609e-02] [-3.04425712e-02 -2.30318129e-02 -3.56944297e-03] [-1.32363691e-02 -7.66820540e-02 4.27193609e-02] [ 3.04425712e-02 -2.30318129e-02 3.56944296e-03] [ 3.04425712e-02 2.30318129e-02 3.56944296e-03] [-1.32363691e-02 7.66820540e-02 4.27193609e-02] [ 1.32363691e-02 7.66820540e-02 -4.27193609e-02] [-3.04425712e-02 2.30318129e-02 -3.56944296e-03] [ 1.32363691e-02 -7.66820540e-02 -4.27193608e-02] [-3.04425712e-02 -2.30318129e-02 -3.56944296e-03] [-1.32363691e-02 -7.66820540e-02 4.27193609e-02] [ 3.04425712e-02 -2.30318129e-02 3.56944297e-03] [ 3.04425712e-02 2.30318129e-02 3.56944296e-03] [-1.32363691e-02 7.66820540e-02 4.27193609e-02] [ 1.32363691e-02 7.66820540e-02 -4.27193609e-02] [-3.04425712e-02 2.30318129e-02 -3.56944296e-03] [ 2.83786883e-12 -1.33154598e-12 5.77676795e-13] [-6.29557604e-12 3.07546905e-13 2.57156797e-13] [-1.02873270e-02 3.02534333e-03 9.18090382e-03] [-1.02873270e-02 -3.02534333e-03 9.18090382e-03] [ 1.02873270e-02 3.02534333e-03 -9.18090382e-03] [ 1.02873270e-02 -3.02534333e-03 -9.18090383e-03] [-1.02559738e-01 1.19493304e-12 -6.96827839e-02] [ 9.30397141e-02 1.50964310e-13 -1.26285701e-01] [-9.30397141e-02 4.84398979e-13 1.26285701e-01] [ 1.02559738e-01 -2.86256343e-13 6.96827839e-02] [ 6.58348448e-03 2.99842538e-02 -2.69742845e-02] [-6.58348448e-03 2.99842538e-02 2.69742845e-02] [ 6.58348448e-03 -2.99842538e-02 -2.69742845e-02] [-6.58348448e-03 -2.99842538e-02 2.69742845e-02] [-1.02873270e-02 3.02534333e-03 9.18090382e-03] [-1.02873270e-02 -3.02534333e-03 9.18090382e-03] [ 1.02873270e-02 3.02534333e-03 -9.18090382e-03] [ 1.02873270e-02 -3.02534333e-03 -9.18090382e-03] [-1.02559738e-01 -3.42045108e-12 -6.96827839e-02] [ 9.30397141e-02 -1.56498534e-12 -1.26285701e-01] [-9.30397141e-02 -3.13237847e-12 1.26285701e-01] [ 1.02559738e-01 -4.84430638e-13 6.96827839e-02] [ 6.58348448e-03 2.99842538e-02 -2.69742845e-02] [-6.58348448e-03 2.99842538e-02 2.69742845e-02] [ 6.58348448e-03 -2.99842538e-02 -2.69742845e-02] [-6.58348448e-03 -2.99842538e-02 2.69742845e-02]] Final stress: [ 4.50550706e-04 -9.19960776e-04 -1.01741486e-03 9.14732708e-16 -1.73521538e-04 3.18992242e-15] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.48600896e-02 -1.60379712e-02 4.58292258e-15] [ 5.48600896e-02 1.60379712e-02 6.12343509e-13] [-8.13459571e-03 -9.36435698e-03 7.80268211e-13] [ 8.13459571e-03 9.36435697e-03 -1.36196610e-13] [-7.87594816e-14 -7.45834818e-13 -1.94628917e-02] [-6.43374243e-13 4.19997370e-13 1.94628917e-02] [-5.48600896e-02 -1.60379712e-02 -3.14901005e-13] [ 5.48600896e-02 1.60379712e-02 -1.61798396e-12] [-8.13459571e-03 -9.36435697e-03 3.08851732e-13] [ 8.13459571e-03 9.36435698e-03 -1.58061271e-12] [-1.09088086e-13 -1.23053428e-12 -1.94628917e-02] [-1.08032940e-12 1.27394496e-12 1.94628917e-02] [ 3.03946465e-02 -3.64930335e-03 2.30660743e-02] [-3.03946465e-02 3.64930335e-03 2.30660742e-02] [-1.32679990e-02 -4.27536712e-02 7.68549431e-02] [ 1.32679990e-02 4.27536712e-02 7.68549431e-02] [ 3.03946465e-02 -3.64930335e-03 -2.30660743e-02] [-3.03946465e-02 3.64930336e-03 -2.30660742e-02] [ 1.32679990e-02 4.27536712e-02 -7.68549431e-02] [-1.32679990e-02 -4.27536712e-02 -7.68549431e-02] [ 3.03946465e-02 -3.64930336e-03 2.30660742e-02] [-3.03946465e-02 3.64930335e-03 2.30660743e-02] [-1.32679990e-02 -4.27536712e-02 7.68549431e-02] [ 1.32679990e-02 4.27536712e-02 7.68549431e-02] [ 3.03946465e-02 -3.64930335e-03 -2.30660743e-02] [-3.03946465e-02 3.64930335e-03 -2.30660743e-02] [ 1.32679990e-02 4.27536712e-02 -7.68549431e-02] [-1.32679990e-02 -4.27536712e-02 -7.68549431e-02] [ 3.27898819e-12 1.52883262e-12 5.72455972e-12] [-4.33688545e-12 -1.68581114e-12 5.35428636e-13] [ 1.04290751e-02 9.32825291e-03 3.16146522e-03] [-1.04290751e-02 -9.32825291e-03 3.16146522e-03] [ 1.04290751e-02 9.32825290e-03 -3.16146522e-03] [-1.04290751e-02 -9.32825290e-03 -3.16146522e-03] [ 6.49495552e-03 2.71429620e-02 3.01348098e-02] [ 6.49495551e-03 2.71429620e-02 -3.01348098e-02] [-6.49495551e-03 -2.71429621e-02 3.01348098e-02] [-6.49495551e-03 -2.71429621e-02 -3.01348098e-02] [ 9.30671149e-02 1.26558964e-01 7.86593013e-13] [ 1.02854015e-01 -6.96973759e-02 -6.97884459e-13] [-1.02854015e-01 6.96973759e-02 -1.26143540e-12] [-9.30671149e-02 -1.26558964e-01 -1.15232997e-12] [ 1.04290751e-02 9.32825290e-03 3.16146522e-03] [-1.04290751e-02 -9.32825290e-03 3.16146523e-03] [ 1.04290751e-02 9.32825290e-03 -3.16146522e-03] [-1.04290751e-02 -9.32825290e-03 -3.16146522e-03] [ 6.49495551e-03 2.71429621e-02 3.01348098e-02] [ 6.49495552e-03 2.71429621e-02 -3.01348098e-02] [-6.49495552e-03 -2.71429621e-02 3.01348098e-02] [-6.49495552e-03 -2.71429621e-02 -3.01348097e-02] [ 9.30671149e-02 1.26558964e-01 4.89718528e-12] [ 1.02854015e-01 -6.96973759e-02 4.78229117e-12] [-1.02854015e-01 6.96973759e-02 -8.94363776e-13] [-9.30671149e-02 -1.26558964e-01 2.44894946e-12]] Final stress: [ 4.47806158e-04 -1.01988240e-03 -9.21686962e-04 -4.62355805e-16 2.29681067e-15 1.75470880e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.48100674e-02 1.66969538e-02 9.66323430e-13] [ 5.48100674e-02 -1.66969538e-02 -1.39704914e-12] [ 8.93787375e-03 -9.47262050e-03 7.15590781e-14] [-8.93787375e-03 9.47262050e-03 1.53579927e-12] [ 1.29473212e-12 2.96615163e-13 -1.95121879e-02] [ 1.11124998e-12 -1.00094932e-12 1.95121879e-02] [-5.48100674e-02 1.66969538e-02 8.60669520e-14] [ 5.48100674e-02 -1.66969538e-02 -4.46018112e-13] [ 8.93787375e-03 -9.47262050e-03 -9.65795058e-13] [-8.93787375e-03 9.47262050e-03 -7.54929570e-13] [-1.98078663e-12 -1.32154521e-12 -1.95121879e-02] [ 7.90556856e-14 -1.16096100e-12 1.95121879e-02] [ 1.31105268e-02 -4.27825273e-02 -7.62266417e-02] [-1.31105268e-02 4.27825273e-02 -7.62266417e-02] [-3.04860917e-02 -3.42702016e-03 -2.27125084e-02] [ 3.04860917e-02 3.42702016e-03 -2.27125084e-02] [ 1.31105268e-02 -4.27825273e-02 7.62266417e-02] [-1.31105268e-02 4.27825273e-02 7.62266417e-02] [ 3.04860917e-02 3.42702016e-03 2.27125084e-02] [-3.04860917e-02 -3.42702016e-03 2.27125084e-02] [ 1.31105268e-02 -4.27825273e-02 -7.62266417e-02] [-1.31105268e-02 4.27825273e-02 -7.62266417e-02] [-3.04860917e-02 -3.42702016e-03 -2.27125084e-02] [ 3.04860917e-02 3.42702016e-03 -2.27125084e-02] [ 1.31105268e-02 -4.27825274e-02 7.62266417e-02] [-1.31105268e-02 4.27825273e-02 7.62266417e-02] [ 3.04860917e-02 3.42702016e-03 2.27125084e-02] [-3.04860917e-02 -3.42702016e-03 2.27125084e-02] [ 2.23523977e-12 -4.63740157e-13 2.04780637e-12] [-4.64829087e-12 1.65628259e-13 2.02995420e-14] [-1.02558906e-02 8.94785262e-03 2.80207139e-03] [ 1.02558906e-02 -8.94785261e-03 2.80207140e-03] [-1.02558906e-02 8.94785261e-03 -2.80207139e-03] [ 1.02558906e-02 -8.94785261e-03 -2.80207140e-03] [ 6.08610641e-03 -2.69161564e-02 3.02640254e-02] [ 6.08610641e-03 -2.69161564e-02 -3.02640254e-02] [-6.08610642e-03 2.69161564e-02 3.02640254e-02] [-6.08610641e-03 2.69161564e-02 -3.02640254e-02] [-1.02723365e-01 -6.91081189e-02 1.74604775e-12] [-9.23807275e-02 1.26392754e-01 -5.70913108e-13] [ 9.23807275e-02 -1.26392754e-01 -1.37827423e-12] [ 1.02723365e-01 6.91081189e-02 3.32088822e-14] [-1.02558906e-02 8.94785260e-03 2.80207140e-03] [ 1.02558906e-02 -8.94785260e-03 2.80207140e-03] [-1.02558906e-02 8.94785261e-03 -2.80207140e-03] [ 1.02558906e-02 -8.94785261e-03 -2.80207140e-03] [ 6.08610642e-03 -2.69161564e-02 3.02640254e-02] [ 6.08610642e-03 -2.69161564e-02 -3.02640254e-02] [-6.08610641e-03 2.69161564e-02 3.02640254e-02] [-6.08610642e-03 2.69161564e-02 -3.02640254e-02] [-1.02723365e-01 -6.91081189e-02 -2.10833494e-14] [-9.23807275e-02 1.26392754e-01 4.52564912e-12] [ 9.23807275e-02 -1.26392754e-01 3.60565793e-12] [ 1.02723365e-01 6.91081189e-02 4.70427256e-12]] Final stress: [ 4.55887992e-04 -1.01416552e-03 -9.18009172e-04 2.09390633e-15 2.27851602e-15 -1.67565958e-04] Minimization converged after 27 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.51414420e-04 5.51165016e-15 -9.65980768e-15] [-5.51414420e-04 1.36834988e-14 -2.73114864e-14] [ 3.25304020e-14 3.25906066e-03 3.93088340e-15] [ 5.63993297e-14 -3.25906066e-03 -3.69426711e-14] [-5.32646843e-15 -2.94946359e-14 3.25906066e-03] [ 4.28823643e-14 8.54871729e-15 -3.25906066e-03] [ 5.51414420e-04 2.37527012e-15 1.07285752e-15] [-5.51414420e-04 6.90376575e-15 -8.12187517e-15] [ 5.28223298e-16 3.25906066e-03 -4.19565681e-14] [ 1.70657759e-14 -3.25906066e-03 -6.79579897e-15] [-4.74130284e-14 -1.20131853e-14 3.25906066e-03] [-6.50872585e-14 -3.16602779e-15 -3.25906066e-03] [ 1.45789656e-03 6.52301431e-05 6.52301432e-05] [-1.45789656e-03 -6.52301431e-05 6.52301432e-05] [-1.45789656e-03 6.52301432e-05 -6.52301432e-05] [ 1.45789656e-03 -6.52301431e-05 -6.52301431e-05] [ 1.45789656e-03 6.52301431e-05 -6.52301431e-05] [-1.45789656e-03 -6.52301432e-05 -6.52301432e-05] [ 1.45789656e-03 -6.52301432e-05 6.52301431e-05] [-1.45789656e-03 6.52301432e-05 6.52301431e-05] [ 1.45789656e-03 6.52301432e-05 6.52301432e-05] [-1.45789656e-03 -6.52301431e-05 6.52301431e-05] [-1.45789656e-03 6.52301433e-05 -6.52301432e-05] [ 1.45789656e-03 -6.52301431e-05 -6.52301431e-05] [ 1.45789656e-03 6.52301432e-05 -6.52301432e-05] [-1.45789656e-03 -6.52301432e-05 -6.52301432e-05] [ 1.45789656e-03 -6.52301431e-05 6.52301431e-05] [-1.45789656e-03 6.52301432e-05 6.52301432e-05] [ 1.26371136e-13 -1.29896094e-13 2.32702746e-13] [ 4.37943952e-14 1.00163858e-15 -1.00556762e-14] [-7.70494779e-14 -5.31157462e-04 -5.31157462e-04] [-4.45251475e-14 5.31157462e-04 -5.31157462e-04] [-1.30751313e-13 -5.31157462e-04 5.31157462e-04] [-7.23344995e-14 5.31157463e-04 5.31157462e-04] [ 8.04032584e-04 1.90847338e-13 1.80961464e-04] [ 8.04032584e-04 1.52829138e-13 -1.80961464e-04] [-8.04032584e-04 5.58511570e-14 1.80961463e-04] [-8.04032584e-04 1.14991350e-13 -1.80961464e-04] [ 8.04032583e-04 1.80961464e-04 1.07691633e-14] [-8.04032583e-04 1.80961464e-04 7.46451512e-15] [ 8.04032584e-04 -1.80961464e-04 -4.75557094e-14] [-8.04032584e-04 -1.80961464e-04 -5.41355155e-14] [ 1.21604116e-15 -5.31157462e-04 -5.31157462e-04] [-1.13906280e-14 5.31157462e-04 -5.31157463e-04] [ 4.55538385e-14 -5.31157462e-04 5.31157462e-04] [-3.12644875e-14 5.31157462e-04 5.31157463e-04] [ 8.04032584e-04 -1.08499583e-13 1.80961464e-04] [ 8.04032584e-04 -9.44205651e-14 -1.80961464e-04] [-8.04032583e-04 -2.39553603e-13 1.80961464e-04] [-8.04032584e-04 -7.14719083e-14 -1.80961464e-04] [ 8.04032584e-04 1.80961463e-04 6.98498824e-14] [-8.04032584e-04 1.80961464e-04 6.29228183e-14] [ 8.04032584e-04 -1.80961464e-04 6.77221747e-14] [-8.04032584e-04 -1.80961464e-04 -1.62874922e-13]] Final stress: [ 3.14841907e-04 1.20576182e-04 1.20576182e-04 -5.48226553e-17 2.49193888e-17 -2.32580962e-17] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.03283326e-04 4.15856585e-14 2.51894859e-14] [ 9.03283326e-04 -6.98330282e-14 -1.01585407e-14] [-3.44585471e-14 -5.49932804e-03 6.12227283e-14] [ 7.30249194e-14 5.49932804e-03 3.11695114e-14] [-8.83607423e-14 6.35212369e-14 -5.49932804e-03] [-1.06387121e-13 1.23512311e-13 5.49932804e-03] [-9.03283326e-04 9.65681528e-14 -1.22074234e-13] [ 9.03283326e-04 -4.54063870e-15 -3.61096026e-14] [ 4.56783049e-14 -5.49932804e-03 -4.22808940e-14] [ 3.02431691e-14 5.49932804e-03 -3.05666292e-14] [-5.30101137e-14 2.46761946e-14 -5.49932804e-03] [-1.08164346e-14 1.44790847e-14 5.49932804e-03] [-2.43605226e-03 -2.29106242e-04 -2.29106242e-04] [ 2.43605226e-03 2.29106242e-04 -2.29106242e-04] [ 2.43605226e-03 -2.29106242e-04 2.29106242e-04] [-2.43605226e-03 2.29106242e-04 2.29106242e-04] [-2.43605226e-03 -2.29106242e-04 2.29106242e-04] [ 2.43605226e-03 2.29106242e-04 2.29106242e-04] [-2.43605226e-03 2.29106242e-04 -2.29106242e-04] [ 2.43605226e-03 -2.29106242e-04 -2.29106242e-04] [-2.43605226e-03 -2.29106242e-04 -2.29106242e-04] [ 2.43605226e-03 2.29106242e-04 -2.29106242e-04] [ 2.43605226e-03 -2.29106242e-04 2.29106242e-04] [-2.43605226e-03 2.29106242e-04 2.29106242e-04] [-2.43605226e-03 -2.29106242e-04 2.29106242e-04] [ 2.43605226e-03 2.29106242e-04 2.29106242e-04] [-2.43605226e-03 2.29106243e-04 -2.29106242e-04] [ 2.43605226e-03 -2.29106243e-04 -2.29106242e-04] [ 3.30208083e-13 7.92144128e-14 3.91409127e-13] [-7.07624064e-14 3.40255699e-15 -3.60754082e-14] [-3.23074900e-13 1.03301305e-03 1.03301305e-03] [-1.30329775e-13 -1.03301305e-03 1.03301305e-03] [-2.62321415e-13 1.03301305e-03 -1.03301305e-03] [-6.10345108e-14 -1.03301305e-03 -1.03301305e-03] [-1.11341983e-03 -6.97220059e-14 -4.93129823e-04] [-1.11341983e-03 -1.12188037e-13 4.93129823e-04] [ 1.11341983e-03 1.60184366e-14 -4.93129824e-04] [ 1.11341983e-03 -1.31481631e-13 4.93129824e-04] [-1.11341983e-03 -4.93129824e-04 -1.03694830e-13] [ 1.11341983e-03 -4.93129824e-04 -1.22020449e-13] [-1.11341983e-03 4.93129824e-04 2.75734297e-14] [ 1.11341983e-03 4.93129824e-04 -1.26931451e-13] [ 1.25126472e-13 1.03301305e-03 1.03301305e-03] [ 2.02062759e-13 -1.03301305e-03 1.03301305e-03] [ 2.45246531e-14 1.03301305e-03 -1.03301305e-03] [ 2.69038698e-13 -1.03301305e-03 -1.03301305e-03] [-1.11341983e-03 -2.84639422e-13 -4.93129824e-04] [-1.11341983e-03 -1.85006307e-13 4.93129824e-04] [ 1.11341983e-03 -3.01401265e-13 -4.93129824e-04] [ 1.11341983e-03 -1.73071626e-13 4.93129824e-04] [-1.11341983e-03 -4.93129824e-04 2.96090820e-13] [ 1.11341983e-03 -4.93129824e-04 2.95706229e-13] [-1.11341983e-03 4.93129824e-04 -1.14501846e-14] [ 1.11341983e-03 4.93129823e-04 9.05460602e-14]] Final stress: [-3.49321442e-04 -8.77126319e-05 -8.77126319e-05 9.48348871e-17 -3.32753990e-17 -4.99130985e-17] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.95603484e-02 -2.28366805e-13 -8.02998293e-13] [ 1.95603484e-02 -5.49837953e-14 1.95149452e-13] [ 5.52845963e-13 -5.48860049e-02 -1.58285543e-02] [ 5.60246294e-13 5.48860049e-02 1.58285543e-02] [ 2.24827535e-13 -7.91735329e-03 -9.45632386e-03] [ 3.72535336e-13 7.91735329e-03 9.45632386e-03] [-1.95603484e-02 -1.35717999e-12 -1.33424871e-12] [ 1.95603484e-02 -6.98863710e-14 1.39940494e-14] [ 3.17006837e-13 -5.48860049e-02 -1.58285543e-02] [ 3.54020632e-13 5.48860049e-02 1.58285543e-02] [-5.07037988e-13 -7.91735329e-03 -9.45632386e-03] [-3.70924211e-13 7.91735329e-03 9.45632386e-03] [ 2.32084219e-02 3.04004859e-02 -3.67761237e-03] [ 7.69986808e-02 -1.33132471e-02 -4.27101501e-02] [ 7.69986808e-02 1.33132471e-02 4.27101501e-02] [ 2.32084219e-02 -3.04004859e-02 3.67761236e-03] [-7.69986808e-02 1.33132471e-02 4.27101501e-02] [-2.32084219e-02 -3.04004859e-02 3.67761237e-03] [-7.69986808e-02 -1.33132471e-02 -4.27101501e-02] [-2.32084219e-02 3.04004859e-02 -3.67761237e-03] [ 2.32084219e-02 3.04004859e-02 -3.67761237e-03] [ 7.69986808e-02 -1.33132471e-02 -4.27101501e-02] [ 7.69986808e-02 1.33132471e-02 4.27101501e-02] [ 2.32084219e-02 -3.04004859e-02 3.67761237e-03] [-7.69986808e-02 1.33132471e-02 4.27101501e-02] [-2.32084219e-02 -3.04004859e-02 3.67761237e-03] [-7.69986808e-02 -1.33132471e-02 -4.27101501e-02] [-2.32084219e-02 3.04004859e-02 -3.67761236e-03] [ 4.50259274e-12 -4.44072557e-12 3.74295039e-12] [-4.01615850e-12 8.76247401e-13 8.15943361e-14] [-1.41942014e-12 9.33888861e-02 1.26382969e-01] [-2.35705552e-13 1.02637953e-01 -6.99822771e-02] [-5.77647305e-13 -1.02637953e-01 6.99822771e-02] [ 4.94200167e-13 -9.33888861e-02 -1.26382969e-01] [ 3.20679510e-03 1.03706939e-02 9.37382602e-03] [ 3.20679510e-03 -1.03706939e-02 -9.37382601e-03] [-3.20679511e-03 1.03706939e-02 9.37382601e-03] [-3.20679511e-03 -1.03706939e-02 -9.37382600e-03] [ 2.99243036e-02 6.78575214e-03 2.70857415e-02] [-2.99243036e-02 6.78575214e-03 2.70857415e-02] [ 2.99243036e-02 -6.78575214e-03 -2.70857415e-02] [-2.99243036e-02 -6.78575214e-03 -2.70857415e-02] [ 1.53342226e-12 9.33888861e-02 1.26382969e-01] [ 4.61088763e-12 1.02637953e-01 -6.99822771e-02] [ 4.86426264e-12 -1.02637953e-01 6.99822771e-02] [ 6.61676876e-13 -9.33888861e-02 -1.26382969e-01] [ 3.20679510e-03 1.03706939e-02 9.37382601e-03] [ 3.20679510e-03 -1.03706939e-02 -9.37382602e-03] [-3.20679510e-03 1.03706939e-02 9.37382601e-03] [-3.20679510e-03 -1.03706939e-02 -9.37382602e-03] [ 2.99243036e-02 6.78575214e-03 2.70857415e-02] [-2.99243036e-02 6.78575214e-03 2.70857415e-02] [ 2.99243036e-02 -6.78575213e-03 -2.70857415e-02] [-2.99243036e-02 -6.78575214e-03 -2.70857415e-02]] Final stress: [-9.21847324e-04 4.46403872e-04 -1.02033481e-03 1.77449935e-04 -2.65106170e-15 -3.60072057e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.95812263e-02 -7.01461025e-13 -1.46530791e-13] [ 1.95812262e-02 -7.21200877e-13 1.03270170e-12] [-4.66900498e-13 -5.48854214e-02 1.58493516e-02] [-9.49518242e-14 5.48854214e-02 -1.58493517e-02] [ 1.20519480e-13 7.94967713e-03 -9.48166130e-03] [ 7.21922522e-14 -7.94967713e-03 9.48166130e-03] [-1.95812262e-02 -1.86042848e-12 -3.16825549e-12] [ 1.95812262e-02 2.31222593e-13 -1.72601652e-13] [ 6.41630846e-15 -5.48854214e-02 1.58493517e-02] [-5.10986219e-13 5.48854214e-02 -1.58493516e-02] [ 8.57379272e-13 7.94967713e-03 -9.48166130e-03] [-2.43951560e-13 -7.94967713e-03 9.48166130e-03] [-7.69681266e-02 1.33075304e-02 -4.27043554e-02] [-2.32021855e-02 -3.04089475e-02 -3.66340629e-03] [-2.32021855e-02 3.04089474e-02 3.66340629e-03] [-7.69681266e-02 -1.33075304e-02 4.27043554e-02] [ 2.32021855e-02 3.04089474e-02 3.66340629e-03] [ 7.69681266e-02 -1.33075304e-02 4.27043554e-02] [ 2.32021855e-02 -3.04089474e-02 -3.66340629e-03] [ 7.69681266e-02 1.33075304e-02 -4.27043554e-02] [-7.69681266e-02 1.33075304e-02 -4.27043554e-02] [-2.32021855e-02 -3.04089474e-02 -3.66340629e-03] [-2.32021855e-02 3.04089475e-02 3.66340629e-03] [-7.69681266e-02 -1.33075304e-02 4.27043554e-02] [ 2.32021855e-02 3.04089475e-02 3.66340629e-03] [ 7.69681266e-02 -1.33075304e-02 4.27043554e-02] [ 2.32021855e-02 -3.04089474e-02 -3.66340629e-03] [ 7.69681266e-02 1.33075304e-02 -4.27043554e-02] [ 3.15175663e-12 -3.17323945e-12 5.10730347e-13] [ 9.52879269e-14 -1.30920329e-12 -2.53008342e-12] [-1.58206781e-12 -1.02585118e-01 -6.99812854e-02] [-1.00521674e-12 -9.33856598e-02 1.26333883e-01] [ 1.48610985e-12 9.33856598e-02 -1.26333883e-01] [-4.81325320e-13 1.02585118e-01 6.99812854e-02] [ 3.18261831e-03 -1.03457463e-02 9.34772117e-03] [ 3.18261830e-03 1.03457463e-02 -9.34772117e-03] [-3.18261831e-03 -1.03457463e-02 9.34772117e-03] [-3.18261830e-03 1.03457463e-02 -9.34772117e-03] [ 2.98964914e-02 6.80265803e-03 -2.70561599e-02] [-2.98964914e-02 6.80265803e-03 -2.70561599e-02] [ 2.98964914e-02 -6.80265803e-03 2.70561599e-02] [-2.98964914e-02 -6.80265803e-03 2.70561599e-02] [-9.03699858e-13 -1.02585118e-01 -6.99812854e-02] [ 1.48714634e-12 -9.33856598e-02 1.26333883e-01] [ 5.92413705e-13 9.33856598e-02 -1.26333883e-01] [ 1.44881416e-12 1.02585118e-01 6.99812854e-02] [ 3.18261830e-03 -1.03457463e-02 9.34772118e-03] [ 3.18261831e-03 1.03457463e-02 -9.34772117e-03] [-3.18261830e-03 -1.03457463e-02 9.34772118e-03] [-3.18261830e-03 1.03457463e-02 -9.34772117e-03] [ 2.98964914e-02 6.80265803e-03 -2.70561599e-02] [-2.98964914e-02 6.80265803e-03 -2.70561599e-02] [ 2.98964914e-02 -6.80265802e-03 2.70561599e-02] [-2.98964914e-02 -6.80265802e-03 2.70561599e-02]] Final stress: [-9.21540618e-04 4.46883133e-04 -1.01989824e-03 -1.77102941e-04 -3.26143789e-15 -2.10388523e-15] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.29880747e-03 1.00727716e-12 -8.95048705e-03] [-4.29880748e-03 2.70977685e-13 8.95048705e-03] [ 2.23404194e-14 -6.79555646e-02 4.31078784e-13] [ 1.61565206e-13 6.79555646e-02 -6.31772412e-13] [-8.95048705e-03 2.39560975e-13 4.29880747e-03] [ 8.95048705e-03 -7.77072851e-13 -4.29880747e-03] [ 4.29880748e-03 -5.21693799e-13 -8.95048705e-03] [-4.29880747e-03 -2.05411128e-13 8.95048705e-03] [-1.54957384e-12 -6.79555646e-02 -1.24820608e-12] [ 1.19775717e-13 6.79555646e-02 -1.26763742e-12] [-8.95048705e-03 8.19437380e-13 4.29880747e-03] [ 8.95048705e-03 -1.05079683e-12 -4.29880747e-03] [-1.64813398e-02 6.42101123e-02 -1.64813398e-02] [ 3.94279606e-02 2.71760600e-02 -3.94279606e-02] [ 1.64813398e-02 6.42101123e-02 1.64813398e-02] [-3.94279606e-02 2.71760600e-02 3.94279605e-02] [-3.94279606e-02 -2.71760600e-02 3.94279605e-02] [ 1.64813398e-02 -6.42101123e-02 1.64813398e-02] [-1.64813398e-02 -6.42101123e-02 -1.64813398e-02] [ 3.94279606e-02 -2.71760600e-02 -3.94279606e-02] [-1.64813398e-02 6.42101123e-02 -1.64813398e-02] [ 3.94279606e-02 2.71760600e-02 -3.94279606e-02] [ 1.64813398e-02 6.42101123e-02 1.64813398e-02] [-3.94279606e-02 2.71760600e-02 3.94279606e-02] [-3.94279606e-02 -2.71760600e-02 3.94279606e-02] [ 1.64813398e-02 -6.42101123e-02 1.64813398e-02] [-1.64813398e-02 -6.42101123e-02 -1.64813398e-02] [ 3.94279606e-02 -2.71760600e-02 -3.94279606e-02] [ 1.35649825e-12 -3.00501291e-12 4.10052547e-12] [-5.89254773e-12 -2.78628951e-12 2.12738188e-13] [ 2.90426370e-02 1.10413512e-04 3.90600721e-02] [ 2.90426370e-02 -1.10413510e-04 3.90600721e-02] [-2.90426370e-02 1.10413507e-04 -3.90600721e-02] [-2.90426370e-02 -1.10413504e-04 -3.90600721e-02] [ 1.33199003e-01 8.58535465e-13 1.33199003e-01] [-9.89536135e-02 -2.12447594e-12 9.89536135e-02] [ 9.89536135e-02 1.06911355e-12 -9.89536135e-02] [-1.33199003e-01 3.35042757e-13 -1.33199003e-01] [ 3.90600720e-02 1.10413516e-04 2.90426370e-02] [-3.90600721e-02 1.10413514e-04 -2.90426370e-02] [ 3.90600721e-02 -1.10413515e-04 2.90426370e-02] [-3.90600721e-02 -1.10413512e-04 -2.90426370e-02] [ 2.90426370e-02 1.10413513e-04 3.90600721e-02] [ 2.90426370e-02 -1.10413517e-04 3.90600721e-02] [-2.90426370e-02 1.10413512e-04 -3.90600721e-02] [-2.90426370e-02 -1.10413516e-04 -3.90600721e-02] [ 1.33199003e-01 -4.23044550e-12 1.33199003e-01] [-9.89536135e-02 4.90430288e-13 9.89536135e-02] [ 9.89536135e-02 -1.47384578e-12 -9.89536135e-02] [-1.33199003e-01 -1.37886187e-12 -1.33199003e-01] [ 3.90600721e-02 1.10413506e-04 2.90426370e-02] [-3.90600721e-02 1.10413512e-04 -2.90426370e-02] [ 3.90600721e-02 -1.10413514e-04 2.90426370e-02] [-3.90600721e-02 -1.10413513e-04 -2.90426370e-02]] Final stress: [-4.11321806e-04 2.82552866e-04 -4.11321806e-04 5.23892369e-15 -1.17377597e-04 -2.80074524e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 3.71648054e-03 -3.27282472e-13 8.06550120e-03] [-3.71648054e-03 -8.74189610e-13 -8.06550120e-03] [ 2.70607972e-13 -6.81502020e-02 4.22041959e-13] [ 6.89975854e-13 6.81502020e-02 5.05262499e-13] [ 8.06550120e-03 9.94438906e-14 3.71648054e-03] [-8.06550120e-03 -1.97369898e-13 -3.71648054e-03] [ 3.71648054e-03 -1.85023438e-12 8.06550119e-03] [-3.71648054e-03 -1.55289281e-12 -8.06550120e-03] [-1.51288270e-13 -6.81502020e-02 -1.69407328e-12] [-2.16741555e-13 6.81502020e-02 -4.23127076e-13] [ 8.06550119e-03 -7.11300693e-13 3.71648054e-03] [-8.06550120e-03 -5.40526486e-13 -3.71648054e-03] [-3.91256211e-02 -2.74574441e-02 -3.91256211e-02] [ 1.64557257e-02 -6.49175813e-02 -1.64557257e-02] [ 3.91256211e-02 -2.74574441e-02 3.91256211e-02] [-1.64557257e-02 -6.49175813e-02 1.64557257e-02] [-1.64557257e-02 6.49175813e-02 1.64557257e-02] [ 3.91256211e-02 2.74574441e-02 3.91256211e-02] [-3.91256211e-02 2.74574441e-02 -3.91256211e-02] [ 1.64557257e-02 6.49175813e-02 -1.64557257e-02] [-3.91256211e-02 -2.74574441e-02 -3.91256211e-02] [ 1.64557257e-02 -6.49175813e-02 -1.64557257e-02] [ 3.91256211e-02 -2.74574441e-02 3.91256211e-02] [-1.64557257e-02 -6.49175813e-02 1.64557257e-02] [-1.64557257e-02 6.49175813e-02 1.64557257e-02] [ 3.91256211e-02 2.74574441e-02 3.91256211e-02] [-3.91256211e-02 2.74574441e-02 -3.91256211e-02] [ 1.64557257e-02 6.49175813e-02 -1.64557257e-02] [ 2.53114196e-12 -5.06616971e-12 3.66884301e-12] [-5.04126471e-12 3.34645103e-13 -1.15224293e-14] [-2.88104761e-02 -5.07504227e-04 3.97157502e-02] [-2.88104761e-02 5.07504232e-04 3.97157502e-02] [ 2.88104761e-02 -5.07504228e-04 -3.97157502e-02] [ 2.88104761e-02 5.07504234e-04 -3.97157502e-02] [-9.84717426e-02 -7.56616991e-13 -9.84717426e-02] [ 1.32726972e-01 -1.31198871e-12 -1.32726972e-01] [-1.32726972e-01 -1.98241597e-12 1.32726972e-01] [ 9.84717426e-02 1.94174191e-12 9.84717426e-02] [ 3.97157502e-02 -5.07504222e-04 -2.88104761e-02] [-3.97157502e-02 -5.07504227e-04 2.88104761e-02] [ 3.97157502e-02 5.07504225e-04 -2.88104761e-02] [-3.97157502e-02 5.07504231e-04 2.88104761e-02] [-2.88104761e-02 -5.07504227e-04 3.97157502e-02] [-2.88104761e-02 5.07504228e-04 3.97157502e-02] [ 2.88104761e-02 -5.07504224e-04 -3.97157502e-02] [ 2.88104761e-02 5.07504228e-04 -3.97157502e-02] [-9.84717426e-02 -5.03943410e-12 -9.84717426e-02] [ 1.32726972e-01 -2.28278854e-12 -1.32726972e-01] [-1.32726972e-01 -3.67197375e-12 1.32726972e-01] [ 9.84717426e-02 -5.80362234e-12 9.84717426e-02] [ 3.97157502e-02 -5.07504235e-04 -2.88104761e-02] [-3.97157502e-02 -5.07504232e-04 2.88104761e-02] [ 3.97157502e-02 5.07504228e-04 -2.88104761e-02] [-3.97157502e-02 5.07504232e-04 2.88104761e-02]] Final stress: [-4.14830168e-04 2.94065195e-04 -4.14830168e-04 -3.09013340e-15 1.10542638e-04 7.11828362e-16] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.43664534e-03 -8.05881540e-03 4.71808790e-13] [ 9.43664534e-03 8.05881540e-03 -7.35189687e-13] [-1.59543462e-02 -5.48726455e-02 1.07204350e-12] [ 1.59543462e-02 5.48726455e-02 -7.21644966e-15] [-2.47646521e-13 -1.32160342e-12 -1.95333212e-02] [ 1.31478162e-12 -5.43370904e-13 1.95333211e-02] [-9.43664534e-03 -8.05881540e-03 -1.83629785e-12] [ 9.43664534e-03 8.05881540e-03 2.40106555e-13] [-1.59543462e-02 -5.48726455e-02 1.10896268e-13] [ 1.59543462e-02 5.48726455e-02 6.16209577e-13] [-1.65688210e-13 2.90131223e-13 -1.95333212e-02] [-2.80308329e-13 -4.34403390e-13 1.95333212e-02] [-3.64889221e-03 3.04063407e-02 2.31311062e-02] [ 3.64889221e-03 -3.04063407e-02 2.31311062e-02] [ 4.27258126e-02 1.32848686e-02 7.68955838e-02] [-4.27258126e-02 -1.32848686e-02 7.68955838e-02] [-3.64889221e-03 3.04063407e-02 -2.31311062e-02] [ 3.64889221e-03 -3.04063407e-02 -2.31311062e-02] [-4.27258126e-02 -1.32848686e-02 -7.68955838e-02] [ 4.27258126e-02 1.32848686e-02 -7.68955838e-02] [-3.64889221e-03 3.04063407e-02 2.31311062e-02] [ 3.64889221e-03 -3.04063407e-02 2.31311062e-02] [ 4.27258126e-02 1.32848686e-02 7.68955838e-02] [-4.27258126e-02 -1.32848686e-02 7.68955838e-02] [-3.64889221e-03 3.04063407e-02 -2.31311062e-02] [ 3.64889221e-03 -3.04063407e-02 -2.31311062e-02] [-4.27258126e-02 -1.32848686e-02 -7.68955838e-02] [ 4.27258126e-02 1.32848686e-02 -7.68955838e-02] [-5.00988140e-14 -1.59450231e-12 7.13493153e-12] [-4.34065284e-12 -9.18650333e-13 3.42609058e-13] [ 2.70837320e-02 6.65709998e-03 3.00016748e-02] [-2.70837320e-02 -6.65709998e-03 3.00016748e-02] [ 2.70837320e-02 6.65709997e-03 -3.00016748e-02] [-2.70837320e-02 -6.65709997e-03 -3.00016748e-02] [ 9.32428957e-03 1.03740785e-02 3.15938030e-03] [ 9.32428957e-03 1.03740785e-02 -3.15938030e-03] [-9.32428957e-03 -1.03740785e-02 3.15938030e-03] [-9.32428957e-03 -1.03740785e-02 -3.15938029e-03] [ 1.26421129e-01 9.32239709e-02 -1.28919098e-12] [ 6.98380410e-02 -1.02692238e-01 2.68368661e-13] [-6.98380410e-02 1.02692238e-01 -8.55530924e-14] [-1.26421129e-01 -9.32239709e-02 1.26430290e-12] [ 2.70837320e-02 6.65709998e-03 3.00016747e-02] [-2.70837320e-02 -6.65709998e-03 3.00016747e-02] [ 2.70837320e-02 6.65709998e-03 -3.00016747e-02] [-2.70837320e-02 -6.65709997e-03 -3.00016747e-02] [ 9.32428957e-03 1.03740785e-02 3.15938030e-03] [ 9.32428957e-03 1.03740785e-02 -3.15938030e-03] [-9.32428957e-03 -1.03740785e-02 3.15938030e-03] [-9.32428957e-03 -1.03740785e-02 -3.15938030e-03] [ 1.26421129e-01 9.32239709e-02 2.93523599e-12] [ 6.98380410e-02 -1.02692238e-01 2.43589551e-12] [-6.98380410e-02 1.02692238e-01 1.45177567e-13] [-1.26421129e-01 -9.32239709e-02 4.00775723e-12]] Final stress: [-1.01966128e-03 4.47599291e-04 -9.21453796e-04 9.28037911e-16 -8.13280535e-16 1.76106672e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.53918342e-03 8.51775678e-03 2.10026441e-13] [ 9.53918342e-03 -8.51775678e-03 2.12607709e-13] [ 1.63189639e-02 -5.48433804e-02 5.96468242e-13] [-1.63189639e-02 5.48433804e-02 1.13936638e-13] [-7.62653829e-13 -1.27669576e-12 -1.95954407e-02] [-7.31192884e-13 -1.47584722e-12 1.95954407e-02] [-9.53918342e-03 8.51775678e-03 8.63664371e-13] [ 9.53918343e-03 -8.51775678e-03 3.97706904e-13] [ 1.63189638e-02 -5.48433804e-02 -5.56738912e-13] [-1.63189639e-02 5.48433804e-02 -9.16581735e-13] [ 9.22882864e-13 2.31695368e-14 -1.95954407e-02] [-4.53930730e-13 -2.54308490e-14 1.95954407e-02] [-4.27219518e-02 1.31973764e-02 -7.65183867e-02] [ 4.27219518e-02 -1.31973764e-02 -7.65183867e-02] [ 3.51354932e-03 3.04647405e-02 -2.29427310e-02] [-3.51354932e-03 -3.04647405e-02 -2.29427310e-02] [-4.27219518e-02 1.31973764e-02 7.65183867e-02] [ 4.27219518e-02 -1.31973764e-02 7.65183867e-02] [-3.51354932e-03 -3.04647405e-02 2.29427310e-02] [ 3.51354932e-03 3.04647405e-02 2.29427310e-02] [-4.27219517e-02 1.31973764e-02 -7.65183867e-02] [ 4.27219518e-02 -1.31973764e-02 -7.65183867e-02] [ 3.51354932e-03 3.04647405e-02 -2.29427310e-02] [-3.51354932e-03 -3.04647405e-02 -2.29427310e-02] [-4.27219517e-02 1.31973764e-02 7.65183867e-02] [ 4.27219518e-02 -1.31973764e-02 7.65183867e-02] [-3.51354932e-03 -3.04647405e-02 2.29427310e-02] [ 3.51354932e-03 3.04647405e-02 2.29427310e-02] [-1.05623843e-12 -3.97365474e-12 3.20163340e-12] [-4.57584231e-12 1.94338764e-12 1.61106311e-12] [-2.69132724e-02 6.47978144e-03 3.00145264e-02] [ 2.69132724e-02 -6.47978144e-03 3.00145264e-02] [-2.69132724e-02 6.47978144e-03 -3.00145264e-02] [ 2.69132724e-02 -6.47978144e-03 -3.00145264e-02] [ 9.08045798e-03 -1.02416486e-02 2.93120072e-03] [ 9.08045799e-03 -1.02416486e-02 -2.93120071e-03] [-9.08045799e-03 1.02416486e-02 2.93120071e-03] [-9.08045799e-03 1.02416486e-02 -2.93120071e-03] [-6.95262162e-02 -1.02515293e-01 2.65032440e-12] [-1.26231930e-01 9.28576095e-02 4.66994499e-12] [ 1.26231930e-01 -9.28576095e-02 3.57787758e-12] [ 6.95262162e-02 1.02515293e-01 1.32321775e-12] [-2.69132724e-02 6.47978144e-03 3.00145264e-02] [ 2.69132724e-02 -6.47978145e-03 3.00145264e-02] [-2.69132724e-02 6.47978144e-03 -3.00145264e-02] [ 2.69132724e-02 -6.47978144e-03 -3.00145264e-02] [ 9.08045799e-03 -1.02416486e-02 2.93120072e-03] [ 9.08045799e-03 -1.02416486e-02 -2.93120072e-03] [-9.08045798e-03 1.02416486e-02 2.93120072e-03] [-9.08045798e-03 1.02416486e-02 -2.93120072e-03] [-6.95262162e-02 -1.02515293e-01 6.04139025e-13] [-1.26231930e-01 9.28576095e-02 6.05121151e-13] [ 1.26231930e-01 -9.28576095e-02 1.30162309e-12] [ 6.95262162e-02 1.02515293e-01 1.14614394e-12]] Final stress: [-1.01588458e-03 4.52727312e-04 -9.18972544e-04 -2.42819955e-16 5.72123730e-16 -1.71508005e-04] Minimization converged after 27 steps. Minimization converged after 20 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.98136789e-02 -1.03589446e-12 5.55294526e-13] [ 1.98136789e-02 -2.42722509e-13 8.23646706e-13] [-2.43178741e-13 -9.80737198e-03 -8.91763971e-03] [-3.64402952e-13 9.80737198e-03 8.91763971e-03] [-8.68783561e-13 -1.65941744e-02 -5.48411280e-02] [ 7.64277530e-13 1.65941744e-02 5.48411280e-02] [-1.98136789e-02 3.65523584e-14 -9.07711673e-13] [ 1.98136789e-02 1.34063463e-12 -2.14750127e-14] [-3.86188043e-13 -9.80737198e-03 -8.91763971e-03] [ 2.28867706e-12 9.80737198e-03 8.91763971e-03] [ 1.69513665e-12 -1.65941744e-02 -5.48411280e-02] [-2.11038175e-12 1.65941744e-02 5.48411280e-02] [ 2.28472265e-02 -3.34770222e-03 3.05632935e-02] [ 7.61524231e-02 4.26685071e-02 1.31241234e-02] [ 7.61524231e-02 -4.26685071e-02 -1.31241234e-02] [ 2.28472265e-02 3.34770222e-03 -3.05632935e-02] [-7.61524231e-02 -4.26685071e-02 -1.31241234e-02] [-2.28472265e-02 3.34770222e-03 -3.05632935e-02] [-7.61524231e-02 4.26685071e-02 1.31241234e-02] [-2.28472265e-02 -3.34770222e-03 3.05632935e-02] [ 2.28472265e-02 -3.34770222e-03 3.05632935e-02] [ 7.61524231e-02 4.26685071e-02 1.31241234e-02] [ 7.61524231e-02 -4.26685071e-02 -1.31241234e-02] [ 2.28472265e-02 3.34770222e-03 -3.05632935e-02] [-7.61524231e-02 -4.26685071e-02 -1.31241234e-02] [-2.28472265e-02 3.34770222e-03 -3.05632935e-02] [-7.61524231e-02 4.26685071e-02 1.31241234e-02] [-2.28472265e-02 -3.34770222e-03 3.05632935e-02] [ 1.39352418e-12 -1.38247747e-12 3.82105458e-12] [-1.21849362e-12 -1.18761058e-12 -6.51384809e-12] [ 7.33524352e-13 1.25777836e-01 9.27098363e-02] [ 2.11292442e-12 6.94100649e-02 -1.02027540e-01] [ 8.01320815e-13 -6.94100649e-02 1.02027540e-01] [-8.25259999e-13 -1.25777836e-01 -9.27098363e-02] [ 2.97995910e-02 2.65891107e-02 6.55831419e-03] [ 2.97995910e-02 -2.65891107e-02 -6.55831420e-03] [-2.97995910e-02 2.65891107e-02 6.55831419e-03] [-2.97995910e-02 -2.65891107e-02 -6.55831420e-03] [ 2.66046389e-03 8.78836623e-03 9.97095579e-03] [-2.66046389e-03 8.78836623e-03 9.97095580e-03] [ 2.66046390e-03 -8.78836623e-03 -9.97095580e-03] [-2.66046390e-03 -8.78836623e-03 -9.97095580e-03] [ 2.37512137e-12 1.25777836e-01 9.27098363e-02] [-1.77089680e-12 6.94100649e-02 -1.02027540e-01] [-3.14475009e-14 -6.94100649e-02 1.02027540e-01] [ 1.29915653e-12 -1.25777836e-01 -9.27098363e-02] [ 2.97995910e-02 2.65891107e-02 6.55831419e-03] [ 2.97995910e-02 -2.65891107e-02 -6.55831419e-03] [-2.97995910e-02 2.65891107e-02 6.55831419e-03] [-2.97995910e-02 -2.65891107e-02 -6.55831419e-03] [ 2.66046389e-03 8.78836623e-03 9.97095580e-03] [-2.66046389e-03 8.78836623e-03 9.97095580e-03] [ 2.66046389e-03 -8.78836624e-03 -9.97095580e-03] [-2.66046389e-03 -8.78836623e-03 -9.97095580e-03]] Final stress: [-9.15676950e-04 -1.01107436e-03 4.58338086e-04 1.67261061e-04 -1.24902593e-15 -2.95874452e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.91813443e-02 -4.13936680e-13 5.44191428e-14] [ 1.91813443e-02 -3.64736019e-13 6.46899201e-13] [-6.88577233e-13 -9.09674177e-03 8.73670199e-03] [-5.95495875e-13 9.09674177e-03 -8.73670199e-03] [ 6.19805314e-13 1.66187054e-02 -5.47827569e-02] [ 8.62088179e-14 -1.66187054e-02 5.47827569e-02] [-1.91813443e-02 -1.76857617e-12 4.74461613e-13] [ 1.91813443e-02 -1.92823795e-12 5.93652517e-13] [-1.71614459e-13 -9.09674176e-03 8.73670199e-03] [ 2.22514715e-13 9.09674177e-03 -8.73670199e-03] [-7.96078915e-13 1.66187054e-02 -5.47827569e-02] [-8.17639359e-13 -1.66187054e-02 5.47827569e-02] [-7.64593385e-02 -4.28780728e-02 1.31413330e-02] [-2.26666453e-02 3.57398852e-03 3.03739439e-02] [-2.26666453e-02 -3.57398852e-03 -3.03739439e-02] [-7.64593385e-02 4.28780728e-02 -1.31413330e-02] [ 2.26666453e-02 -3.57398852e-03 -3.03739438e-02] [ 7.64593385e-02 4.28780728e-02 -1.31413330e-02] [ 2.26666453e-02 3.57398852e-03 3.03739438e-02] [ 7.64593385e-02 -4.28780728e-02 1.31413330e-02] [-7.64593385e-02 -4.28780728e-02 1.31413330e-02] [-2.26666453e-02 3.57398852e-03 3.03739438e-02] [-2.26666453e-02 -3.57398852e-03 -3.03739438e-02] [-7.64593385e-02 4.28780728e-02 -1.31413330e-02] [ 2.26666453e-02 -3.57398851e-03 -3.03739438e-02] [ 7.64593385e-02 4.28780728e-02 -1.31413330e-02] [ 2.26666453e-02 3.57398852e-03 3.03739438e-02] [ 7.64593385e-02 -4.28780728e-02 1.31413330e-02] [-2.95402591e-13 -2.28270181e-12 3.80889764e-13] [ 5.72378082e-13 -2.57811670e-13 -1.89418854e-12] [-2.36788367e-12 -6.89271328e-02 -1.03448803e-01] [ 8.27581059e-13 -1.27040057e-01 9.21934556e-02] [-1.21326560e-14 1.27040057e-01 -9.21934556e-02] [-1.58543861e-12 6.89271328e-02 1.03448803e-01] [ 3.07060748e-02 -2.73135045e-02 5.70180419e-03] [ 3.07060748e-02 2.73135045e-02 -5.70180419e-03] [-3.07060748e-02 -2.73135045e-02 5.70180418e-03] [-3.07060748e-02 2.73135045e-02 -5.70180419e-03] [ 3.03942296e-03 9.20619507e-03 -1.06007725e-02] [-3.03942296e-03 9.20619507e-03 -1.06007725e-02] [ 3.03942296e-03 -9.20619507e-03 1.06007725e-02] [-3.03942296e-03 -9.20619507e-03 1.06007725e-02] [ 2.95670606e-14 -6.89271328e-02 -1.03448803e-01] [-7.48110775e-13 -1.27040057e-01 9.21934556e-02] [-6.37850450e-13 1.27040057e-01 -9.21934556e-02] [-2.46487292e-13 6.89271328e-02 1.03448803e-01] [ 3.07060748e-02 -2.73135045e-02 5.70180419e-03] [ 3.07060748e-02 2.73135045e-02 -5.70180419e-03] [-3.07060748e-02 -2.73135045e-02 5.70180419e-03] [-3.07060748e-02 2.73135045e-02 -5.70180419e-03] [ 3.03942295e-03 9.20619507e-03 -1.06007725e-02] [-3.03942296e-03 9.20619507e-03 -1.06007725e-02] [ 3.03942295e-03 -9.20619507e-03 1.06007725e-02] [-3.03942295e-03 -9.20619507e-03 1.06007725e-02]] Final stress: [-9.21261692e-04 -1.01869160e-03 4.51545921e-04 -1.70007811e-04 5.77113181e-16 6.27007692e-16] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.44428359e-03 3.08869250e-13 -7.73537299e-03] [ 9.44428359e-03 8.86457574e-13 7.73537299e-03] [-1.66381665e-14 -1.95611059e-02 4.62737054e-13] [-8.12877543e-13 1.95611059e-02 -1.16517906e-13] [-1.56767181e-02 -7.77136602e-13 -5.49000452e-02] [ 1.56767181e-02 -3.51080276e-13 5.49000452e-02] [-9.44428359e-03 -8.24045693e-13 -7.73537299e-03] [ 9.44428359e-03 1.79445478e-12 7.73537299e-03] [-1.41817114e-12 -1.95611059e-02 -8.33924111e-13] [-6.98162448e-13 1.95611059e-02 -1.31138325e-12] [-1.56767181e-02 -1.35507341e-12 -5.49000452e-02] [ 1.56767181e-02 5.24788030e-13 5.49000452e-02] [-3.72418695e-03 2.32934011e-02 3.03839643e-02] [ 4.27014219e-02 7.71395828e-02 1.33488184e-02] [ 3.72418695e-03 2.32934011e-02 -3.03839643e-02] [-4.27014219e-02 7.71395828e-02 -1.33488184e-02] [-4.27014219e-02 -7.71395828e-02 -1.33488184e-02] [ 3.72418695e-03 -2.32934011e-02 -3.03839643e-02] [-3.72418695e-03 -2.32934012e-02 3.03839643e-02] [ 4.27014219e-02 -7.71395828e-02 1.33488184e-02] [-3.72418695e-03 2.32934011e-02 3.03839643e-02] [ 4.27014219e-02 7.71395828e-02 1.33488184e-02] [ 3.72418695e-03 2.32934012e-02 -3.03839643e-02] [-4.27014219e-02 7.71395828e-02 -1.33488184e-02] [-4.27014219e-02 -7.71395828e-02 -1.33488184e-02] [ 3.72418695e-03 -2.32934012e-02 -3.03839643e-02] [-3.72418695e-03 -2.32934011e-02 3.03839643e-02] [ 4.27014219e-02 -7.71395828e-02 1.33488184e-02] [ 1.98052685e-12 9.14601728e-13 4.93058372e-12] [-1.31485361e-12 -9.53033552e-13 1.06146044e-12] [ 2.71245755e-02 2.98830701e-02 6.89162701e-03] [ 2.71245755e-02 -2.98830701e-02 6.89162701e-03] [-2.71245755e-02 2.98830701e-02 -6.89162701e-03] [-2.71245755e-02 -2.98830701e-02 -6.89162701e-03] [ 1.26406798e-01 -1.99895656e-12 9.35555559e-02] [-7.01256386e-02 -6.04290923e-14 1.02650512e-01] [ 7.01256386e-02 -2.57476852e-12 -1.02650512e-01] [-1.26406798e-01 -1.18819191e-12 -9.35555559e-02] [ 9.45593075e-03 3.28445698e-03 1.03985151e-02] [-9.45593075e-03 3.28445698e-03 -1.03985151e-02] [ 9.45593075e-03 -3.28445698e-03 1.03985151e-02] [-9.45593075e-03 -3.28445698e-03 -1.03985151e-02] [ 2.71245755e-02 2.98830701e-02 6.89162701e-03] [ 2.71245755e-02 -2.98830701e-02 6.89162701e-03] [-2.71245755e-02 2.98830701e-02 -6.89162700e-03] [-2.71245755e-02 -2.98830701e-02 -6.89162701e-03] [ 1.26406798e-01 -2.01373774e-12 9.35555559e-02] [-7.01256386e-02 -7.75023139e-13 1.02650512e-01] [ 7.01256386e-02 -8.74085093e-13 -1.02650512e-01] [-1.26406798e-01 -2.53309960e-13 -9.35555559e-02] [ 9.45593076e-03 3.28445697e-03 1.03985151e-02] [-9.45593076e-03 3.28445697e-03 -1.03985151e-02] [ 9.45593076e-03 -3.28445696e-03 1.03985151e-02] [-9.45593075e-03 -3.28445697e-03 -1.03985151e-02]] Final stress: [-1.02155206e-03 -9.22624081e-04 4.44619717e-04 -3.70549904e-15 1.79225969e-04 3.29303775e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-9.53102829e-03 -7.16477225e-13 8.50786674e-03] [ 9.53102828e-03 -8.60145288e-14 -8.50786674e-03] [ 2.26024494e-13 -1.95887558e-02 -1.50274194e-12] [ 1.67055259e-12 1.95887558e-02 -2.60208521e-13] [ 1.63126344e-02 1.29990636e-13 -5.48434836e-02] [-1.63126344e-02 4.34124958e-13 5.48434836e-02] [-9.53102829e-03 3.99858965e-13 8.50786674e-03] [ 9.53102829e-03 4.50002015e-13 -8.50786674e-03] [-1.75118817e-12 -1.95887558e-02 -7.30955362e-13] [-1.75320175e-12 1.95887558e-02 -1.46032632e-12] [ 1.63126344e-02 1.20168398e-14 -5.48434836e-02] [-1.63126344e-02 7.69653736e-13 5.48434836e-02] [-4.27240009e-02 -7.65280633e-02 1.31990965e-02] [ 3.51796991e-03 -2.29445650e-02 3.04620705e-02] [ 4.27240009e-02 -7.65280633e-02 -1.31990965e-02] [-3.51796990e-03 -2.29445650e-02 -3.04620705e-02] [-3.51796990e-03 2.29445650e-02 -3.04620705e-02] [ 4.27240009e-02 7.65280633e-02 -1.31990965e-02] [-4.27240009e-02 7.65280633e-02 1.31990965e-02] [ 3.51796990e-03 2.29445650e-02 3.04620705e-02] [-4.27240009e-02 -7.65280633e-02 1.31990965e-02] [ 3.51796990e-03 -2.29445650e-02 3.04620705e-02] [ 4.27240009e-02 -7.65280633e-02 -1.31990965e-02] [-3.51796990e-03 -2.29445650e-02 -3.04620705e-02] [-3.51796990e-03 2.29445650e-02 -3.04620705e-02] [ 4.27240009e-02 7.65280633e-02 -1.31990965e-02] [-4.27240009e-02 7.65280633e-02 1.31990965e-02] [ 3.51796990e-03 2.29445650e-02 3.04620705e-02] [ 1.14264154e-12 1.52419743e-12 1.02801101e-12] [-3.85285423e-12 -7.27444613e-13 6.27173365e-14] [-2.69228053e-02 3.00224981e-02 6.47531024e-03] [-2.69228053e-02 -3.00224981e-02 6.47531024e-03] [ 2.69228053e-02 3.00224981e-02 -6.47531024e-03] [ 2.69228053e-02 -3.00224981e-02 -6.47531024e-03] [-6.95276711e-02 -5.36859446e-12 -1.02531488e-01] [ 1.26246968e-01 -1.37186443e-12 -9.28597954e-02] [-1.26246968e-01 -3.55357757e-12 9.28597954e-02] [ 6.95276711e-02 -2.29841477e-12 1.02531488e-01] [ 9.08867449e-03 2.93876271e-03 -1.02496131e-02] [-9.08867449e-03 2.93876270e-03 1.02496131e-02] [ 9.08867449e-03 -2.93876271e-03 -1.02496131e-02] [-9.08867450e-03 -2.93876270e-03 1.02496131e-02] [-2.69228053e-02 3.00224981e-02 6.47531024e-03] [-2.69228053e-02 -3.00224981e-02 6.47531024e-03] [ 2.69228053e-02 3.00224981e-02 -6.47531024e-03] [ 2.69228053e-02 -3.00224981e-02 -6.47531024e-03] [-6.95276711e-02 5.70388676e-13 -1.02531488e-01] [ 1.26246968e-01 -1.30573417e-12 -9.28597954e-02] [-1.26246968e-01 -2.82352267e-13 9.28597954e-02] [ 6.95276711e-02 -6.81662626e-13 1.02531488e-01] [ 9.08867449e-03 2.93876270e-03 -1.02496131e-02] [-9.08867449e-03 2.93876271e-03 1.02496131e-02] [ 9.08867450e-03 -2.93876270e-03 -1.02496131e-02] [-9.08867450e-03 -2.93876270e-03 1.02496131e-02]] Final stress: [-1.01602264e-03 -9.19068647e-04 4.52571226e-04 -2.67268266e-15 -1.71615837e-04 -3.30634295e-15] Minimization converged after 37 steps. Minimization converged after 37 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 3.27059193e-03 -7.44278224e-03 -4.11817282e-13] [-3.27059194e-03 7.44278224e-03 -4.74509321e-13] [-7.44278224e-03 3.27059194e-03 -6.88763283e-14] [ 7.44278224e-03 -3.27059194e-03 -2.06390460e-13] [-1.27231288e-12 -5.49224078e-13 -6.82887166e-02] [-1.28452804e-13 -5.48366907e-13 6.82887166e-02] [ 3.27059194e-03 -7.44278224e-03 2.26950741e-12] [-3.27059193e-03 7.44278224e-03 -1.62487446e-12] [-7.44278224e-03 3.27059193e-03 -1.68271268e-13] [ 7.44278224e-03 -3.27059194e-03 1.36235715e-12] [ 1.69886240e-13 6.48821384e-13 -6.82887166e-02] [ 3.15841103e-14 5.34163571e-13 6.82887166e-02] [-1.64169087e-02 -1.64169087e-02 6.54257310e-02] [ 1.64169087e-02 1.64169087e-02 6.54257310e-02] [ 3.89500412e-02 -3.89500412e-02 2.76863921e-02] [-3.89500412e-02 3.89500412e-02 2.76863921e-02] [-1.64169087e-02 -1.64169087e-02 -6.54257310e-02] [ 1.64169087e-02 1.64169087e-02 -6.54257310e-02] [-3.89500412e-02 3.89500412e-02 -2.76863921e-02] [ 3.89500412e-02 -3.89500412e-02 -2.76863921e-02] [-1.64169087e-02 -1.64169087e-02 6.54257310e-02] [ 1.64169087e-02 1.64169087e-02 6.54257310e-02] [ 3.89500412e-02 -3.89500412e-02 2.76863921e-02] [-3.89500412e-02 3.89500412e-02 2.76863921e-02] [-1.64169087e-02 -1.64169087e-02 -6.54257310e-02] [ 1.64169087e-02 1.64169087e-02 -6.54257310e-02] [-3.89500412e-02 3.89500412e-02 -2.76863921e-02] [ 3.89500412e-02 -3.89500411e-02 -2.76863921e-02] [ 5.90624771e-12 1.27858835e-12 3.09971493e-12] [-5.72950281e-12 3.85158369e-13 -1.42037148e-12] [ 2.85560540e-02 3.97885097e-02 -4.90622893e-04] [-2.85560540e-02 -3.97885097e-02 -4.90622893e-04] [ 2.85560540e-02 3.97885097e-02 4.90622895e-04] [-2.85560540e-02 -3.97885097e-02 4.90622887e-04] [ 3.97885097e-02 2.85560540e-02 -4.90622899e-04] [ 3.97885097e-02 2.85560540e-02 4.90622895e-04] [-3.97885097e-02 -2.85560540e-02 -4.90622900e-04] [-3.97885097e-02 -2.85560540e-02 4.90622898e-04] [ 1.32522865e-01 1.32522865e-01 -1.14364074e-12] [ 9.82532031e-02 -9.82532031e-02 -4.54750820e-13] [-9.82532031e-02 9.82532031e-02 2.58564004e-13] [-1.32522865e-01 -1.32522865e-01 5.78396706e-13] [ 2.85560540e-02 3.97885097e-02 -4.90622898e-04] [-2.85560540e-02 -3.97885097e-02 -4.90622897e-04] [ 2.85560540e-02 3.97885097e-02 4.90622902e-04] [-2.85560540e-02 -3.97885097e-02 4.90622903e-04] [ 3.97885097e-02 2.85560540e-02 -4.90622892e-04] [ 3.97885097e-02 2.85560540e-02 4.90622894e-04] [-3.97885097e-02 -2.85560540e-02 -4.90622888e-04] [-3.97885097e-02 -2.85560540e-02 4.90622891e-04] [ 1.32522865e-01 1.32522865e-01 3.00581425e-12] [ 9.82532031e-02 -9.82532031e-02 2.05817797e-12] [-9.82532031e-02 9.82532031e-02 3.28972777e-13] [-1.32522865e-01 -1.32522865e-01 -1.13492332e-12]] Final stress: [-4.15875994e-04 -4.15875994e-04 2.99275159e-04 7.45091369e-16 1.00953228e-15 -1.05427968e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.34626983e-03 1.80994423e-03 -2.91207596e-13] [ 1.34626983e-03 -1.80994423e-03 4.24438262e-13] [ 1.80994423e-03 -1.34626983e-03 -3.45594213e-13] [-1.80994423e-03 1.34626983e-03 -4.57467397e-13] [-3.53256703e-13 6.35947675e-13 -6.93974521e-02] [-9.29256672e-14 8.53983551e-13 6.93974521e-02] [-1.34626982e-03 1.80994423e-03 -1.76933076e-12] [ 1.34626983e-03 -1.80994423e-03 -9.38257276e-13] [ 1.80994423e-03 -1.34626982e-03 7.31564810e-14] [-1.80994423e-03 1.34626983e-03 -9.76910460e-13] [-4.75672019e-13 -1.97389735e-12 -6.93974521e-02] [-2.45470094e-12 9.33935021e-13 6.93974521e-02] [-3.70386785e-02 -3.70386785e-02 -2.95329267e-02] [ 3.70386785e-02 3.70386785e-02 -2.95329267e-02] [ 1.58464024e-02 -1.58464024e-02 -6.99991989e-02] [-1.58464024e-02 1.58464024e-02 -6.99991989e-02] [-3.70386785e-02 -3.70386785e-02 2.95329267e-02] [ 3.70386785e-02 3.70386785e-02 2.95329268e-02] [-1.58464024e-02 1.58464024e-02 6.99991989e-02] [ 1.58464024e-02 -1.58464024e-02 6.99991989e-02] [-3.70386785e-02 -3.70386785e-02 -2.95329267e-02] [ 3.70386785e-02 3.70386785e-02 -2.95329267e-02] [ 1.58464024e-02 -1.58464024e-02 -6.99991989e-02] [-1.58464024e-02 1.58464024e-02 -6.99991989e-02] [-3.70386785e-02 -3.70386785e-02 2.95329267e-02] [ 3.70386785e-02 3.70386785e-02 2.95329267e-02] [-1.58464024e-02 1.58464024e-02 6.99991989e-02] [ 1.58464024e-02 -1.58464024e-02 6.99991989e-02] [ 2.61118904e-12 7.42267359e-13 1.40656931e-12] [-5.23056555e-12 -4.23888308e-12 1.61132125e-13] [-2.59079090e-02 4.08094856e-02 -1.01889882e-03] [ 2.59079090e-02 -4.08094856e-02 -1.01889881e-03] [-2.59079090e-02 4.08094856e-02 1.01889881e-03] [ 2.59079090e-02 -4.08094856e-02 1.01889881e-03] [ 4.08094856e-02 -2.59079090e-02 -1.01889880e-03] [ 4.08094856e-02 -2.59079090e-02 1.01889880e-03] [-4.08094856e-02 2.59079090e-02 -1.01889881e-03] [-4.08094856e-02 2.59079090e-02 1.01889880e-03] [-9.56799047e-02 -9.56799047e-02 1.73894232e-12] [-1.29166396e-01 1.29166396e-01 2.28601860e-13] [ 1.29166396e-01 -1.29166396e-01 -4.86846674e-13] [ 9.56799047e-02 9.56799047e-02 -2.04477581e-12] [-2.59079090e-02 4.08094856e-02 -1.01889880e-03] [ 2.59079090e-02 -4.08094856e-02 -1.01889880e-03] [-2.59079090e-02 4.08094856e-02 1.01889880e-03] [ 2.59079090e-02 -4.08094856e-02 1.01889880e-03] [ 4.08094856e-02 -2.59079090e-02 -1.01889881e-03] [ 4.08094856e-02 -2.59079090e-02 1.01889882e-03] [-4.08094856e-02 2.59079090e-02 -1.01889881e-03] [-4.08094856e-02 2.59079090e-02 1.01889881e-03] [-9.56799047e-02 -9.56799047e-02 4.05228025e-12] [-1.29166396e-01 1.29166396e-01 2.53337415e-12] [ 1.29166396e-01 -1.29166396e-01 5.45265908e-12] [ 9.56799047e-02 9.56799047e-02 2.80861966e-12]] Final stress: [-4.29193878e-04 -4.29193878e-04 3.68344901e-04 -3.45270018e-15 -2.54462008e-16 5.77569401e-05] Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 24 steps. Minimization converged after 17 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.83992385e-03 -8.82276023e-14 5.79918058e-15] [-3.83992385e-03 -4.79893902e-14 5.26523269e-14] [-2.60811338e-14 -3.84831511e-03 9.73700287e-14] [-5.20694599e-14 3.84831511e-03 1.11383125e-13] [ 8.14712880e-15 6.12444123e-15 2.78350235e-05] [-1.50712776e-14 -3.58324481e-14 -2.78350236e-05] [ 3.83992385e-03 -1.27098852e-14 -6.66594654e-14] [-3.83992385e-03 -3.48080939e-14 -8.17531257e-14] [-1.40443213e-14 -3.84831511e-03 -4.86339974e-14] [-1.64408417e-14 3.84831511e-03 -4.76986553e-14] [-3.46866633e-14 5.78397640e-14 2.78350237e-05] [-1.21040331e-14 -2.40995558e-14 -2.78350235e-05] [ 2.19348188e-04 -2.44761351e-04 -7.18092957e-06] [-2.19348188e-04 2.44761351e-04 -7.18092949e-06] [-2.19348188e-04 -2.44761351e-04 7.18092950e-06] [ 2.19348188e-04 2.44761351e-04 7.18092953e-06] [ 2.19348188e-04 -2.44761351e-04 7.18092952e-06] [-2.19348188e-04 2.44761351e-04 7.18092938e-06] [ 2.19348188e-04 2.44761351e-04 -7.18092953e-06] [-2.19348188e-04 -2.44761351e-04 -7.18092950e-06] [ 2.19348188e-04 -2.44761351e-04 -7.18092953e-06] [-2.19348188e-04 2.44761351e-04 -7.18092952e-06] [-2.19348188e-04 -2.44761351e-04 7.18092954e-06] [ 2.19348188e-04 2.44761351e-04 7.18092947e-06] [ 2.19348188e-04 -2.44761351e-04 7.18092951e-06] [-2.19348188e-04 2.44761351e-04 7.18092952e-06] [ 2.19348188e-04 2.44761351e-04 -7.18092950e-06] [-2.19348188e-04 -2.44761351e-04 -7.18092953e-06] [-3.43058915e-14 -6.00630656e-14 7.87980792e-14] [ 5.83942616e-14 2.10913235e-14 -1.80004342e-14] [-1.26565425e-14 4.04130391e-05 2.65295288e-04] [-5.63785130e-15 -4.04130391e-05 2.65295288e-04] [ 2.85882429e-14 4.04130390e-05 -2.65295288e-04] [-5.70446468e-14 -4.04130389e-05 -2.65295288e-04] [-2.55490019e-05 -1.18460797e-13 -2.66572227e-04] [-2.55490021e-05 2.11532181e-14 2.66572227e-04] [ 2.55490020e-05 -3.37750661e-14 -2.66572227e-04] [ 2.55490019e-05 -2.80227230e-14 2.66572227e-04] [ 2.23684608e-04 -2.41949205e-04 7.64943664e-14] [-2.23684609e-04 -2.41949205e-04 1.33065434e-13] [ 2.23684608e-04 2.41949205e-04 5.17884347e-14] [-2.23684608e-04 2.41949205e-04 8.67014793e-15] [ 1.40496989e-13 4.04130391e-05 2.65295288e-04] [ 1.10059531e-14 -4.04130392e-05 2.65295288e-04] [-6.51527443e-14 4.04130390e-05 -2.65295288e-04] [-4.97310526e-14 -4.04130386e-05 -2.65295288e-04] [-2.55490020e-05 -2.74161289e-14 -2.66572227e-04] [-2.55490020e-05 4.75726229e-15 2.66572227e-04] [ 2.55490022e-05 -6.66753978e-14 -2.66572227e-04] [ 2.55490020e-05 -3.14279852e-14 2.66572227e-04] [ 2.23684609e-04 -2.41949205e-04 6.44451177e-14] [-2.23684609e-04 -2.41949205e-04 8.24696011e-14] [ 2.23684609e-04 2.41949205e-04 -1.83729578e-14] [-2.23684609e-04 2.41949205e-04 2.15024179e-13]] Final stress: [-8.95466705e-05 9.01740645e-05 -1.21545985e-07 1.28014861e-16 -1.16377147e-17 -1.33002453e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.84889050e-03 -2.85665588e-14 7.22824578e-14] [ 3.84889050e-03 -4.72399897e-14 1.27509114e-13] [-6.52863180e-15 3.84049853e-03 1.12468628e-13] [ 1.29618538e-14 -3.84049853e-03 1.27370337e-13] [-2.42865623e-14 -4.94482927e-15 2.78396168e-05] [-5.79258863e-14 -5.36792832e-14 -2.78396169e-05] [-3.84889050e-03 5.56759500e-15 -6.15393825e-14] [ 3.84889050e-03 -2.65291261e-14 -6.31324450e-14] [ 1.40078921e-15 3.84049853e-03 -4.71931759e-14] [-8.72392436e-15 -3.84049853e-03 -4.39218656e-14] [ 1.55977661e-14 -8.09006309e-15 2.78396170e-05] [ 2.77429989e-14 1.35258641e-14 -2.78396168e-05] [-2.44820176e-04 2.19403902e-04 -7.18223886e-06] [ 2.44820175e-04 -2.19403902e-04 -7.18223886e-06] [ 2.44820175e-04 2.19403902e-04 7.18223883e-06] [-2.44820176e-04 -2.19403901e-04 7.18223884e-06] [-2.44820176e-04 2.19403902e-04 7.18223885e-06] [ 2.44820175e-04 -2.19403902e-04 7.18223885e-06] [-2.44820176e-04 -2.19403901e-04 -7.18223880e-06] [ 2.44820175e-04 2.19403902e-04 -7.18223881e-06] [-2.44820175e-04 2.19403902e-04 -7.18223881e-06] [ 2.44820176e-04 -2.19403901e-04 -7.18223877e-06] [ 2.44820176e-04 2.19403902e-04 7.18223878e-06] [-2.44820175e-04 -2.19403902e-04 7.18223878e-06] [-2.44820175e-04 2.19403902e-04 7.18223879e-06] [ 2.44820176e-04 -2.19403902e-04 7.18223879e-06] [-2.44820175e-04 -2.19403902e-04 -7.18223881e-06] [ 2.44820175e-04 2.19403902e-04 -7.18223879e-06] [-1.42386103e-14 -1.16490151e-13 7.90756349e-14] [ 2.35011663e-13 -1.13659060e-13 -1.73917002e-14] [ 1.44328993e-14 -2.50314868e-05 -2.66958454e-04] [-8.84015083e-15 2.50314868e-05 -2.66958454e-04] [ 4.34288022e-14 -2.50314869e-05 2.66958454e-04] [-4.94500274e-14 2.50314868e-05 2.66958454e-04] [ 3.98980122e-05 -1.63868918e-13 2.65687698e-04] [ 3.98980120e-05 -1.37685002e-13 -2.65687698e-04] [-3.98980120e-05 -4.57932303e-14 2.65687698e-04] [-3.98980121e-05 -5.17086374e-14 -2.65687698e-04] [-2.42855787e-04 2.24589134e-04 8.32667268e-15] [ 2.42855787e-04 2.24589135e-04 -1.45300438e-14] [-2.42855787e-04 -2.24589134e-04 2.51881849e-14] [ 2.42855787e-04 -2.24589135e-04 2.11827084e-14] [ 5.92061122e-15 -2.50314868e-05 -2.66958454e-04] [ 1.04226090e-13 2.50314870e-05 -2.66958454e-04] [-5.67809688e-14 -2.50314869e-05 2.66958454e-04] [-8.11776861e-14 2.50314868e-05 2.66958454e-04] [ 3.98980120e-05 -2.21387638e-14 2.65687698e-04] [ 3.98980120e-05 -5.94134117e-14 -2.65687699e-04] [-3.98980120e-05 2.63630263e-14 2.65687698e-04] [-3.98980122e-05 -2.50719584e-14 -2.65687698e-04] [-2.42855787e-04 2.24589134e-04 1.64925818e-14] [ 2.42855787e-04 2.24589135e-04 1.32022689e-14] [-2.42855787e-04 -2.24589135e-04 3.15159072e-14] [ 2.42855787e-04 -2.24589134e-04 2.12941210e-13]] Final stress: [ 9.01800685e-05 -8.95525914e-05 -1.21575056e-07 2.66004906e-17 1.99503680e-17 4.65508586e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.11412919e-03 2.20963439e-13 1.11716626e-13] [ 8.11412919e-03 -2.18935980e-13 1.93678407e-13] [-3.93656462e-14 -8.11412919e-03 4.87409592e-14] [ 3.04645198e-13 8.11412919e-03 -1.50157664e-14] [ 1.61988045e-13 -5.91575400e-14 2.78884732e-04] [-1.58761893e-14 -4.68236561e-14 -2.78884733e-04] [-8.11412919e-03 3.56975734e-14 -1.58937471e-13] [ 8.11412919e-03 7.50632195e-14 -4.45211886e-14] [-7.19845190e-14 -8.11412919e-03 -1.57874474e-13] [-2.64964266e-13 8.11412919e-03 -4.78336929e-14] [-2.34594896e-13 5.16476601e-14 2.78884732e-04] [ 1.04061725e-14 1.77497601e-13 -2.78884732e-04] [-7.72208657e-04 -7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 -7.72208657e-04 4.10170906e-03] [-7.72208657e-04 7.72208657e-04 4.10170906e-03] [-7.72208657e-04 -7.72208657e-04 4.10170906e-03] [ 7.72208657e-04 7.72208657e-04 4.10170906e-03] [-7.72208656e-04 7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 -7.72208657e-04 -4.10170906e-03] [-7.72208657e-04 -7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 -7.72208657e-04 4.10170906e-03] [-7.72208657e-04 7.72208657e-04 4.10170906e-03] [-7.72208657e-04 -7.72208656e-04 4.10170906e-03] [ 7.72208657e-04 7.72208656e-04 4.10170906e-03] [-7.72208657e-04 7.72208657e-04 -4.10170906e-03] [ 7.72208657e-04 -7.72208657e-04 -4.10170906e-03] [ 2.07556194e-13 1.54820601e-13 1.69519954e-12] [-2.15789626e-13 3.29345926e-14 -3.65742950e-13] [-4.73288075e-13 -2.73336558e-03 -7.29021736e-04] [-5.35654854e-13 2.73336558e-03 -7.29021737e-04] [-6.46011022e-15 -2.73336558e-03 7.29021736e-04] [ 1.06026299e-14 2.73336558e-03 7.29021736e-04] [-2.73336558e-03 -2.19380070e-13 -7.29021735e-04] [-2.73336558e-03 -2.74965814e-13 7.29021735e-04] [ 2.73336558e-03 -1.03401662e-13 -7.29021736e-04] [ 2.73336558e-03 -3.60671562e-13 7.29021735e-04] [ 1.11922024e-03 1.11922024e-03 6.23501251e-13] [-1.11922024e-03 1.11922024e-03 5.73846526e-15] [ 1.11922024e-03 -1.11922024e-03 6.81213766e-13] [-1.11922024e-03 -1.11922024e-03 1.86014398e-14] [-1.80676654e-13 -2.73336558e-03 -7.29021736e-04] [ 3.67949594e-13 2.73336558e-03 -7.29021735e-04] [-2.01253510e-13 -2.73336558e-03 7.29021736e-04] [ 5.36782424e-13 2.73336558e-03 7.29021735e-04] [-2.73336558e-03 4.90046476e-13 -7.29021737e-04] [-2.73336558e-03 7.05887172e-13 7.29021737e-04] [ 2.73336558e-03 -2.32904408e-13 -7.29021736e-04] [ 2.73336558e-03 3.85767807e-14 7.29021736e-04] [ 1.11922024e-03 1.11922024e-03 7.47900362e-13] [-1.11922024e-03 1.11922024e-03 1.00705256e-12] [ 1.11922024e-03 -1.11922024e-03 7.08120899e-13] [-1.11922024e-03 -1.11922024e-03 8.08366395e-13]] Final stress: [ 4.15678195e-05 4.15678195e-05 -3.05626821e-04 -1.44707537e-16 -3.80896850e-16 1.71320417e-16] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.84030697e-03 -6.15831171e-14 -3.32936803e-15] [-3.84030697e-03 -1.22402088e-14 3.42781359e-14] [-1.71928444e-14 2.78380858e-05 2.86229374e-16] [-1.32949207e-14 -2.78380859e-05 5.63438185e-15] [ 8.79851747e-15 -2.01167208e-14 -3.84869870e-03] [-4.23550084e-14 -5.99242878e-14 3.84869870e-03] [ 3.84030697e-03 -1.41926401e-14 -3.72452688e-14] [-3.84030697e-03 -1.78906369e-14 -3.68308899e-14] [ 2.79611403e-14 2.78380857e-05 -2.34826952e-15] [ 2.40744924e-14 -2.78380858e-05 -1.29236521e-14] [ 1.86782013e-14 -8.20745551e-15 -3.84869870e-03] [ 4.03310198e-14 -6.58327559e-16 3.84869870e-03] [ 2.19385330e-04 -7.18180234e-06 -2.44800567e-04] [-2.19385330e-04 7.18180230e-06 -2.44800567e-04] [-2.19385330e-04 -7.18180234e-06 2.44800567e-04] [ 2.19385330e-04 7.18180234e-06 2.44800567e-04] [ 2.19385330e-04 -7.18180236e-06 2.44800567e-04] [-2.19385330e-04 7.18180233e-06 2.44800567e-04] [ 2.19385330e-04 7.18180232e-06 -2.44800567e-04] [-2.19385330e-04 -7.18180239e-06 -2.44800567e-04] [ 2.19385330e-04 -7.18180240e-06 -2.44800567e-04] [-2.19385330e-04 7.18180237e-06 -2.44800567e-04] [-2.19385330e-04 -7.18180237e-06 2.44800567e-04] [ 2.19385330e-04 7.18180236e-06 2.44800567e-04] [ 2.19385330e-04 -7.18180238e-06 2.44800567e-04] [-2.19385330e-04 7.18180233e-06 2.44800567e-04] [ 2.19385330e-04 7.18180238e-06 -2.44800567e-04] [-2.19385330e-04 -7.18180237e-06 -2.44800567e-04] [ 6.60305144e-14 -1.20736754e-14 2.68673972e-14] [-1.36678863e-14 3.84111925e-14 4.50237255e-14] [-6.88338275e-14 2.65556894e-04 4.00696883e-05] [-1.59507824e-14 -2.65556894e-04 4.00696883e-05] [-4.68080436e-14 2.65556894e-04 -4.00696884e-05] [-8.77839468e-14 -2.65556894e-04 -4.00696883e-05] [ 2.24287625e-04 -1.07913678e-13 -2.42553592e-04] [ 2.24287625e-04 4.27782809e-14 2.42553592e-04] [-2.24287625e-04 -8.37732661e-14 -2.42553592e-04] [-2.24287625e-04 -6.01671490e-14 2.42553592e-04] [-2.52039926e-05 -2.66829712e-04 -1.08801856e-14] [ 2.52039925e-05 -2.66829712e-04 5.66300479e-14] [-2.52039926e-05 2.66829712e-04 -7.54604712e-15] [ 2.52039925e-05 2.66829712e-04 -2.34083586e-14] [ 1.63131661e-13 2.65556894e-04 4.00696883e-05] [ 2.30978431e-15 -2.65556894e-04 4.00696882e-05] [ 1.51007679e-14 2.65556894e-04 -4.00696883e-05] [ 4.21086777e-14 -2.65556894e-04 -4.00696884e-05] [ 2.24287625e-04 -8.89045781e-15 -2.42553592e-04] [ 2.24287625e-04 -2.27285638e-14 2.42553592e-04] [-2.24287624e-04 -2.48451433e-14 -2.42553592e-04] [-2.24287625e-04 -3.52517494e-14 2.42553592e-04] [-2.52039925e-05 -2.66829712e-04 1.92747197e-14] [ 2.52039926e-05 -2.66829712e-04 -1.85080866e-14] [-2.52039924e-05 2.66829712e-04 6.27420343e-15] [ 2.52039926e-05 2.66829712e-04 1.46352982e-13]] Final stress: [-8.95506178e-05 -1.21565363e-07 9.01780672e-05 5.48635120e-17 1.66253067e-18 -2.82630213e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.84850692e-03 -4.25917981e-14 5.07840298e-15] [ 3.84850692e-03 4.27435864e-15 2.98927549e-14] [-5.26531943e-15 2.78365548e-05 3.01278100e-14] [ 1.36002321e-14 -2.78365547e-05 -1.03528297e-14] [-1.07561529e-14 -2.88649313e-14 3.84011543e-03] [ 4.77673456e-14 -2.61457522e-14 -3.84011543e-03] [-3.84850692e-03 1.94731384e-14 -7.85482790e-15] [ 3.84850692e-03 2.39101274e-14 -1.32446818e-14] [-2.56687033e-14 2.78365548e-05 -3.17710101e-15] [-6.67868538e-17 -2.78365548e-05 -2.21334278e-16] [-4.36404385e-14 -4.70774091e-15 3.84011543e-03] [-2.59393201e-14 -3.93362459e-14 -3.84011543e-03] [-2.44780961e-04 -7.18136593e-06 2.19366761e-04] [ 2.44780960e-04 7.18136588e-06 2.19366761e-04] [ 2.44780960e-04 -7.18136599e-06 -2.19366761e-04] [-2.44780961e-04 7.18136588e-06 -2.19366761e-04] [-2.44780961e-04 -7.18136592e-06 -2.19366761e-04] [ 2.44780960e-04 7.18136590e-06 -2.19366761e-04] [-2.44780961e-04 7.18136589e-06 2.19366761e-04] [ 2.44780960e-04 -7.18136591e-06 2.19366761e-04] [-2.44780960e-04 -7.18136605e-06 2.19366761e-04] [ 2.44780960e-04 7.18136598e-06 2.19366761e-04] [ 2.44780961e-04 -7.18136603e-06 -2.19366761e-04] [-2.44780960e-04 7.18136598e-06 -2.19366761e-04] [-2.44780960e-04 -7.18136588e-06 -2.19366761e-04] [ 2.44780961e-04 7.18136594e-06 -2.19366761e-04] [-2.44780961e-04 7.18136593e-06 2.19366761e-04] [ 2.44780961e-04 -7.18136604e-06 2.19366761e-04] [-1.61815006e-14 -9.11215547e-14 1.22596377e-13] [ 1.24991163e-13 2.39797443e-14 3.17042916e-14] [ 1.99840144e-14 -2.66700980e-04 -2.53764832e-05] [ 3.81639165e-14 2.66700980e-04 -2.53764832e-05] [ 7.40102424e-14 -2.66700980e-04 2.53764831e-05] [-2.65377997e-14 2.66700980e-04 2.53764832e-05] [-2.42251423e-04 -1.00031095e-13 2.23986141e-04] [-2.42251423e-04 -1.03349621e-13 -2.23986141e-04] [ 2.42251423e-04 -1.39820447e-13 2.23986141e-04] [ 2.42251423e-04 -4.17946927e-14 -2.23986141e-04] [ 4.02413498e-05 2.65426102e-04 1.13020704e-13] [-4.02413496e-05 2.65426102e-04 8.46892001e-14] [ 4.02413496e-05 -2.65426102e-04 2.47492998e-14] [-4.02413497e-05 -2.65426101e-04 9.65373614e-15] [ 1.53555987e-13 -2.66700980e-04 -2.53764832e-05] [ 6.23069304e-15 2.66700980e-04 -2.53764833e-05] [ 1.84831751e-13 -2.66700980e-04 2.53764832e-05] [-1.03458908e-14 2.66700980e-04 2.53764830e-05] [-2.42251423e-04 -5.54635484e-14 2.23986141e-04] [-2.42251423e-04 -7.19437530e-14 -2.23986141e-04] [ 2.42251423e-04 -1.82176323e-14 2.23986141e-04] [ 2.42251423e-04 -2.34053228e-14 -2.23986141e-04] [ 4.02413497e-05 2.65426101e-04 2.13765637e-14] [-4.02413497e-05 2.65426101e-04 -1.17359058e-14] [ 4.02413497e-05 -2.65426101e-04 -6.37646403e-18] [-4.02413500e-05 -2.65426101e-04 -7.93722726e-15]] Final stress: [ 9.01760660e-05 -1.21555673e-07 -8.95486443e-05 1.51290291e-16 -7.98014719e-17 -1.37990045e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.02864150e-03 -6.28720166e-14 9.65122079e-14] [ 8.02864150e-03 7.42739203e-14 1.10883525e-13] [ 2.20153756e-14 3.33529354e-04 -6.16121737e-14] [ 2.15771845e-13 -3.33529353e-04 -1.12049259e-13] [ 6.92458244e-15 -1.05752213e-13 -8.02864150e-03] [-2.27734498e-13 1.23095978e-13 8.02864150e-03] [-8.02864150e-03 1.23825863e-13 1.42078756e-13] [ 8.02864151e-03 3.16122996e-14 3.39565755e-14] [-1.86398640e-13 3.33529354e-04 2.55271514e-14] [ 3.05614908e-15 -3.33529353e-04 8.48556814e-14] [-4.12638673e-14 1.77973622e-13 -8.02864150e-03] [ 4.67000570e-14 5.69599717e-14 8.02864150e-03] [-7.76256079e-04 -4.08507717e-03 -7.76256079e-04] [ 7.76256080e-04 4.08507717e-03 -7.76256079e-04] [ 7.76256080e-04 -4.08507717e-03 7.76256079e-04] [-7.76256079e-04 4.08507717e-03 7.76256079e-04] [-7.76256079e-04 -4.08507717e-03 7.76256079e-04] [ 7.76256079e-04 4.08507717e-03 7.76256080e-04] [-7.76256079e-04 4.08507717e-03 -7.76256079e-04] [ 7.76256079e-04 -4.08507717e-03 -7.76256079e-04] [-7.76256079e-04 -4.08507717e-03 -7.76256079e-04] [ 7.76256079e-04 4.08507717e-03 -7.76256079e-04] [ 7.76256079e-04 -4.08507717e-03 7.76256079e-04] [-7.76256079e-04 4.08507717e-03 7.76256079e-04] [-7.76256079e-04 -4.08507717e-03 7.76256079e-04] [ 7.76256079e-04 4.08507717e-03 7.76256079e-04] [-7.76256079e-04 4.08507717e-03 -7.76256079e-04] [ 7.76256079e-04 -4.08507717e-03 -7.76256079e-04] [ 3.19189120e-15 1.70141679e-14 5.22887289e-13] [-1.97446226e-13 -1.07939005e-13 2.10444413e-13] [-7.98361377e-13 -7.22506470e-04 -2.74774317e-03] [-1.11893481e-12 7.22506470e-04 -2.74774317e-03] [-3.13214732e-13 -7.22506469e-04 2.74774317e-03] [ 8.74300632e-15 7.22506470e-04 2.74774317e-03] [ 1.09436797e-03 1.57651669e-13 1.09436797e-03] [ 1.09436797e-03 -3.01411673e-13 -1.09436797e-03] [-1.09436797e-03 -1.56723592e-13 1.09436797e-03] [-1.09436797e-03 -6.60265245e-13 -1.09436797e-03] [-2.74774317e-03 -7.22506469e-04 1.73083770e-13] [ 2.74774317e-03 -7.22506470e-04 -4.59490085e-13] [-2.74774317e-03 7.22506470e-04 4.18540202e-13] [ 2.74774317e-03 7.22506470e-04 1.42092935e-13] [ 3.01373076e-13 -7.22506470e-04 -2.74774317e-03] [ 1.09035610e-13 7.22506470e-04 -2.74774317e-03] [ 4.79774640e-13 -7.22506470e-04 2.74774317e-03] [ 1.55890925e-13 7.22506470e-04 2.74774317e-03] [ 1.09436797e-03 -5.36186528e-13 1.09436797e-03] [ 1.09436797e-03 8.95353670e-14 -1.09436797e-03] [-1.09436797e-03 -5.49243810e-13 1.09436797e-03] [-1.09436797e-03 -5.04378223e-13 -1.09436797e-03] [-2.74774317e-03 -7.22506471e-04 -5.19059552e-15] [ 2.74774317e-03 -7.22506469e-04 5.75647789e-13] [-2.74774317e-03 7.22506471e-04 -5.33864429e-13] [ 2.74774317e-03 7.22506469e-04 -3.50124010e-13]] Final stress: [ 4.11695845e-05 -3.04596039e-04 4.11695845e-05 -1.54687367e-16 1.79636942e-16 -5.57207182e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.59945187e-03 -1.23161030e-14 1.36952082e-14] [-1.59945187e-03 -2.83661983e-14 7.71605002e-15] [ 2.48273624e-14 1.96982422e-04 -2.18328595e-04] [ 1.36002321e-15 -1.96982422e-04 2.18328595e-04] [-2.38966832e-14 -2.18328595e-04 1.96982422e-04] [-1.27120536e-14 2.18328595e-04 -1.96982422e-04] [ 1.59945187e-03 5.36281089e-14 1.45338995e-14] [-1.59945187e-03 3.77597259e-14 2.96396227e-14] [-2.11579886e-14 1.96982422e-04 -2.18328595e-04] [-5.54474001e-14 -1.96982422e-04 2.18328595e-04] [-1.00583604e-14 -2.18328595e-04 1.96982422e-04] [-2.05000947e-14 2.18328595e-04 -1.96982422e-04] [ 4.62071775e-04 5.35792994e-04 5.35792994e-04] [ 1.21687719e-03 -4.18317358e-04 4.18317357e-04] [ 1.21687719e-03 4.18317357e-04 -4.18317357e-04] [ 4.62071775e-04 -5.35792994e-04 -5.35792994e-04] [-1.21687719e-03 4.18317357e-04 -4.18317357e-04] [-4.62071775e-04 -5.35792994e-04 -5.35792994e-04] [-1.21687719e-03 -4.18317357e-04 4.18317357e-04] [-4.62071775e-04 5.35792994e-04 5.35792994e-04] [ 4.62071775e-04 5.35792994e-04 5.35792994e-04] [ 1.21687719e-03 -4.18317357e-04 4.18317358e-04] [ 1.21687719e-03 4.18317357e-04 -4.18317357e-04] [ 4.62071775e-04 -5.35792994e-04 -5.35792994e-04] [-1.21687719e-03 4.18317358e-04 -4.18317357e-04] [-4.62071775e-04 -5.35792994e-04 -5.35792994e-04] [-1.21687719e-03 -4.18317357e-04 4.18317357e-04] [-4.62071775e-04 5.35792994e-04 5.35792994e-04] [-4.56856775e-14 1.26010313e-14 1.99201766e-13] [ 7.21601598e-15 1.46587997e-14 2.84265926e-14] [ 2.11719531e-13 1.85116187e-03 1.85116187e-03] [-8.79157858e-15 2.91727825e-04 -2.91727825e-04] [ 9.29638311e-14 -2.91727825e-04 2.91727825e-04] [ 5.80438475e-15 -1.85116187e-03 -1.85116187e-03] [ 5.23481014e-04 6.14841508e-04 -4.20365721e-04] [ 5.23481014e-04 -6.14841508e-04 4.20365721e-04] [-5.23481014e-04 6.14841508e-04 -4.20365721e-04] [-5.23481014e-04 -6.14841508e-04 4.20365721e-04] [ 5.23481014e-04 -4.20365721e-04 6.14841509e-04] [-5.23481014e-04 -4.20365721e-04 6.14841509e-04] [ 5.23481014e-04 4.20365721e-04 -6.14841508e-04] [-5.23481014e-04 4.20365721e-04 -6.14841508e-04] [-3.46766886e-14 1.85116187e-03 1.85116187e-03] [-3.84627226e-14 2.91727825e-04 -2.91727825e-04] [-3.96085074e-14 -2.91727825e-04 2.91727825e-04] [-1.46909394e-14 -1.85116187e-03 -1.85116187e-03] [ 5.23481014e-04 6.14841508e-04 -4.20365721e-04] [ 5.23481014e-04 -6.14841508e-04 4.20365721e-04] [-5.23481014e-04 6.14841508e-04 -4.20365721e-04] [-5.23481014e-04 -6.14841508e-04 4.20365721e-04] [ 5.23481014e-04 -4.20365721e-04 6.14841508e-04] [-5.23481014e-04 -4.20365721e-04 6.14841508e-04] [ 5.23481014e-04 4.20365721e-04 -6.14841508e-04] [-5.23481014e-04 4.20365721e-04 -6.14841508e-04]] Final stress: [-2.86707530e-05 9.21314879e-05 9.21314879e-05 1.05261665e-04 -1.99457240e-17 1.42944355e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.59900262e-03 -1.17661957e-14 -3.60518906e-15] [-1.59900262e-03 -2.88657986e-15 -1.35447209e-14] [-8.11720482e-15 1.96686683e-04 2.18820919e-04] [ 3.14193116e-14 -1.96686683e-04 -2.18820919e-04] [-1.06078341e-15 2.18820919e-04 1.96686683e-04] [ 2.65898414e-14 -2.18820919e-04 -1.96686683e-04] [ 1.59900262e-03 -3.95226386e-14 -2.58772532e-14] [-1.59900262e-03 -4.05990346e-14 -7.23937195e-14] [-4.94899260e-14 1.96686683e-04 2.18820919e-04] [-1.65228074e-14 -1.96686683e-04 -2.18820919e-04] [-2.98480858e-14 2.18820919e-04 1.96686683e-04] [ 1.72036864e-14 -2.18820919e-04 -1.96686683e-04] [-1.21623199e-03 4.18217433e-04 4.18217433e-04] [-4.61672374e-04 -5.35810981e-04 5.35810981e-04] [-4.61672374e-04 5.35810981e-04 -5.35810981e-04] [-1.21623199e-03 -4.18217433e-04 -4.18217433e-04] [ 4.61672374e-04 5.35810981e-04 -5.35810981e-04] [ 1.21623199e-03 -4.18217433e-04 -4.18217433e-04] [ 4.61672375e-04 -5.35810981e-04 5.35810981e-04] [ 1.21623199e-03 4.18217433e-04 4.18217433e-04] [-1.21623199e-03 4.18217433e-04 4.18217433e-04] [-4.61672374e-04 -5.35810981e-04 5.35810981e-04] [-4.61672374e-04 5.35810981e-04 -5.35810981e-04] [-1.21623199e-03 -4.18217433e-04 -4.18217433e-04] [ 4.61672374e-04 5.35810982e-04 -5.35810981e-04] [ 1.21623199e-03 -4.18217433e-04 -4.18217433e-04] [ 4.61672374e-04 -5.35810981e-04 5.35810981e-04] [ 1.21623199e-03 4.18217433e-04 4.18217433e-04] [ 5.20694599e-14 -1.55708779e-14 6.30051566e-14] [-1.29984565e-13 -2.52559936e-14 -3.31260031e-14] [-1.10800258e-13 -2.91454857e-04 -2.91454857e-04] [-1.39849937e-13 -1.85103505e-03 1.85103505e-03] [ 7.10941722e-14 1.85103505e-03 -1.85103505e-03] [-9.07433850e-15 2.91454857e-04 2.91454857e-04] [ 5.22219169e-04 -6.14833788e-04 -4.19018545e-04] [ 5.22219169e-04 6.14833788e-04 4.19018545e-04] [-5.22219168e-04 -6.14833788e-04 -4.19018545e-04] [-5.22219169e-04 6.14833788e-04 4.19018545e-04] [ 5.22219169e-04 -4.19018546e-04 -6.14833788e-04] [-5.22219169e-04 -4.19018545e-04 -6.14833788e-04] [ 5.22219169e-04 4.19018546e-04 6.14833788e-04] [-5.22219169e-04 4.19018545e-04 6.14833788e-04] [ 4.70552416e-14 -2.91454857e-04 -2.91454857e-04] [-1.90368554e-14 -1.85103505e-03 1.85103505e-03] [-2.51968585e-14 1.85103505e-03 -1.85103505e-03] [-6.78962095e-14 2.91454857e-04 2.91454857e-04] [ 5.22219169e-04 -6.14833788e-04 -4.19018545e-04] [ 5.22219169e-04 6.14833788e-04 4.19018546e-04] [-5.22219169e-04 -6.14833788e-04 -4.19018546e-04] [-5.22219169e-04 6.14833788e-04 4.19018545e-04] [ 5.22219169e-04 -4.19018545e-04 -6.14833788e-04] [-5.22219168e-04 -4.19018545e-04 -6.14833788e-04] [ 5.22219169e-04 4.19018545e-04 6.14833788e-04] [-5.22219169e-04 4.19018545e-04 6.14833788e-04]] Final stress: [-2.86618909e-05 9.21257829e-05 9.21257829e-05 -1.05256618e-04 -1.08039338e-16 -1.79511516e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.54581384e-03 3.23283067e-14 3.39186144e-14] [ 1.54581384e-03 3.05866443e-14 1.49880108e-15] [ 5.84762273e-14 -1.91467105e-04 -2.11291067e-04] [ 2.53408405e-14 1.91467105e-04 2.11291067e-04] [ 2.13115116e-14 -2.11291067e-04 -1.91467105e-04] [ 3.57491814e-14 2.11291067e-04 1.91467105e-04] [-1.54581384e-03 1.18741822e-15 3.55972670e-14] [ 1.54581384e-03 -2.07169351e-15 2.61622548e-14] [-2.66319085e-14 -1.91467105e-04 -2.11291067e-04] [-1.57053190e-14 1.91467105e-04 2.11291067e-04] [-1.30494573e-14 -2.11291067e-04 -1.91467105e-04] [-6.33781222e-15 2.11291067e-04 1.91467105e-04] [ 1.17871680e-03 -3.99007108e-04 -3.99007108e-04] [ 4.23296681e-04 5.19889225e-04 -5.19889225e-04] [ 4.23296681e-04 -5.19889225e-04 5.19889225e-04] [ 1.17871680e-03 3.99007108e-04 3.99007108e-04] [-4.23296681e-04 -5.19889225e-04 5.19889225e-04] [-1.17871680e-03 3.99007108e-04 3.99007108e-04] [-4.23296681e-04 5.19889225e-04 -5.19889225e-04] [-1.17871680e-03 -3.99007108e-04 -3.99007108e-04] [ 1.17871680e-03 -3.99007108e-04 -3.99007108e-04] [ 4.23296681e-04 5.19889225e-04 -5.19889225e-04] [ 4.23296681e-04 -5.19889225e-04 5.19889225e-04] [ 1.17871680e-03 3.99007108e-04 3.99007108e-04] [-4.23296681e-04 -5.19889225e-04 5.19889225e-04] [-1.17871680e-03 3.99007108e-04 3.99007108e-04] [-4.23296681e-04 5.19889225e-04 -5.19889225e-04] [-1.17871680e-03 -3.99007108e-04 -3.99007108e-04] [ 7.77156117e-15 -1.04083409e-13 1.83769666e-13] [-9.87677821e-14 -4.96187054e-14 -2.24912997e-13] [-2.33035813e-13 2.94313255e-04 2.94313255e-04] [-5.91696830e-14 1.77267353e-03 -1.77267353e-03] [ 7.68586583e-14 -1.77267353e-03 1.77267353e-03] [-2.52922683e-14 -2.94313255e-04 -2.94313255e-04] [-4.76465605e-04 5.62474386e-04 4.27488259e-04] [-4.76465605e-04 -5.62474387e-04 -4.27488259e-04] [ 4.76465605e-04 5.62474386e-04 4.27488259e-04] [ 4.76465605e-04 -5.62474387e-04 -4.27488259e-04] [-4.76465605e-04 4.27488259e-04 5.62474386e-04] [ 4.76465605e-04 4.27488259e-04 5.62474386e-04] [-4.76465605e-04 -4.27488259e-04 -5.62474386e-04] [ 4.76465605e-04 -4.27488259e-04 -5.62474387e-04] [-9.98220603e-14 2.94313255e-04 2.94313255e-04] [-2.52224457e-14 1.77267353e-03 -1.77267353e-03] [-2.50155799e-14 -1.77267353e-03 1.77267353e-03] [-2.80895099e-14 -2.94313255e-04 -2.94313255e-04] [-4.76465605e-04 5.62474387e-04 4.27488259e-04] [-4.76465605e-04 -5.62474387e-04 -4.27488259e-04] [ 4.76465605e-04 5.62474386e-04 4.27488259e-04] [ 4.76465605e-04 -5.62474386e-04 -4.27488259e-04] [-4.76465605e-04 4.27488259e-04 5.62474387e-04] [ 4.76465605e-04 4.27488259e-04 5.62474387e-04] [-4.76465605e-04 -4.27488259e-04 -5.62474387e-04] [ 4.76465605e-04 -4.27488259e-04 -5.62474386e-04]] Final stress: [ 2.67272433e-05 -9.24134070e-05 -9.24134070e-05 1.05382088e-04 3.99100282e-17 1.66291784e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.55204433e-03 4.44908867e-14 5.57149812e-14] [ 1.55204433e-03 1.54876112e-14 -9.18709553e-15] [-2.29516926e-14 -1.89507367e-04 2.11677484e-04] [-2.05391260e-15 1.89507367e-04 -2.11677484e-04] [ 6.30225039e-15 2.11677484e-04 -1.89507367e-04] [ 3.01147995e-14 -2.11677484e-04 1.89507367e-04] [-1.55204433e-03 -4.68253908e-14 -6.86879862e-14] [ 1.55204433e-03 -4.92392585e-14 -4.18838937e-14] [-2.04558592e-14 -1.89507367e-04 2.11677484e-04] [-1.27090179e-14 1.89507367e-04 -2.11677484e-04] [-1.19912760e-15 2.11677484e-04 -1.89507367e-04] [-1.23599048e-15 -2.11677484e-04 1.89507367e-04] [-4.26459909e-04 -5.21404051e-04 -5.21404051e-04] [-1.18270636e-03 4.02633900e-04 -4.02633900e-04] [-1.18270636e-03 -4.02633900e-04 4.02633900e-04] [-4.26459909e-04 5.21404051e-04 5.21404051e-04] [ 1.18270636e-03 -4.02633900e-04 4.02633900e-04] [ 4.26459909e-04 5.21404051e-04 5.21404051e-04] [ 1.18270636e-03 4.02633900e-04 -4.02633900e-04] [ 4.26459909e-04 -5.21404051e-04 -5.21404051e-04] [-4.26459910e-04 -5.21404051e-04 -5.21404051e-04] [-1.18270636e-03 4.02633900e-04 -4.02633900e-04] [-1.18270636e-03 -4.02633900e-04 4.02633900e-04] [-4.26459909e-04 5.21404051e-04 5.21404051e-04] [ 1.18270636e-03 -4.02633900e-04 4.02633900e-04] [ 4.26459910e-04 5.21404051e-04 5.21404051e-04] [ 1.18270636e-03 4.02633900e-04 -4.02633900e-04] [ 4.26459909e-04 -5.21404051e-04 -5.21404051e-04] [-6.21724894e-15 7.76045894e-14 1.27953204e-13] [-5.08260968e-14 -9.72798521e-14 5.88604844e-14] [ 4.87387908e-14 -1.78144192e-03 -1.78144192e-03] [ 1.85372551e-14 -2.94656007e-04 2.94656007e-04] [ 1.54824070e-14 2.94656007e-04 -2.94656007e-04] [-3.28660710e-14 1.78144192e-03 1.78144192e-03] [-4.74201932e-04 -5.69440463e-04 4.22759914e-04] [-4.74201932e-04 5.69440464e-04 -4.22759914e-04] [ 4.74201932e-04 -5.69440463e-04 4.22759914e-04] [ 4.74201932e-04 5.69440463e-04 -4.22759914e-04] [-4.74201931e-04 4.22759914e-04 -5.69440463e-04] [ 4.74201931e-04 4.22759914e-04 -5.69440463e-04] [-4.74201931e-04 -4.22759913e-04 5.69440463e-04] [ 4.74201931e-04 -4.22759914e-04 5.69440464e-04] [-1.03276762e-14 -1.78144192e-03 -1.78144192e-03] [ 1.91348673e-14 -2.94656007e-04 2.94656007e-04] [-2.81068571e-14 2.94656007e-04 -2.94656007e-04] [-1.72171305e-15 1.78144192e-03 1.78144192e-03] [-4.74201931e-04 -5.69440464e-04 4.22759914e-04] [-4.74201931e-04 5.69440463e-04 -4.22759914e-04] [ 4.74201931e-04 -5.69440464e-04 4.22759914e-04] [ 4.74201931e-04 5.69440463e-04 -4.22759914e-04] [-4.74201932e-04 4.22759914e-04 -5.69440463e-04] [ 4.74201932e-04 4.22759914e-04 -5.69440463e-04] [-4.74201932e-04 -4.22759914e-04 5.69440463e-04] [ 4.74201932e-04 -4.22759914e-04 5.69440463e-04]] Final stress: [ 2.70092786e-05 -9.24472678e-05 -9.24472678e-05 -1.05373114e-04 5.32133710e-17 -1.66291784e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.62644375e-03 5.74271533e-14 -2.10091207e-04] [-1.62644375e-03 1.66533454e-15 2.10091207e-04] [ 7.85465443e-14 1.86711953e-04 -3.48631714e-14] [ 6.17561557e-14 -1.86711953e-04 4.41036097e-14] [-1.95010466e-04 1.13320811e-14 1.96279624e-04] [ 1.95010466e-04 -3.88022947e-14 -1.96279624e-04] [ 1.62644375e-03 5.59708530e-15 -2.10091207e-04] [-1.62644375e-03 1.59815737e-14 2.10091207e-04] [-2.04697370e-14 1.86711953e-04 -9.43829543e-15] [-4.63604849e-15 -1.86711953e-04 -2.58419293e-14] [-1.95010466e-04 -6.07223223e-14 1.96279624e-04] [ 1.95010466e-04 -2.96484744e-14 -1.96279624e-04] [-3.23882288e-04 1.32880987e-03 5.36071726e-04] [ 4.26240591e-04 3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 1.32880987e-03 -5.36071726e-04] [-4.26240591e-04 3.72266202e-04 -4.29204202e-04] [-4.26240591e-04 -3.72266202e-04 -4.29204202e-04] [ 3.23882288e-04 -1.32880987e-03 -5.36071726e-04] [-3.23882288e-04 -1.32880987e-03 5.36071726e-04] [ 4.26240591e-04 -3.72266202e-04 4.29204202e-04] [-3.23882288e-04 1.32880987e-03 5.36071726e-04] [ 4.26240591e-04 3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 1.32880987e-03 -5.36071726e-04] [-4.26240591e-04 3.72266202e-04 -4.29204202e-04] [-4.26240591e-04 -3.72266202e-04 -4.29204202e-04] [ 3.23882288e-04 -1.32880987e-03 -5.36071726e-04] [-3.23882288e-04 -1.32880987e-03 5.36071726e-04] [ 4.26240591e-04 -3.72266202e-04 4.29204202e-04] [-9.43689571e-15 -1.85407245e-14 1.04416475e-13] [ 1.71477416e-15 -6.16936881e-14 1.51130851e-14] [ 6.28596312e-04 7.87030964e-04 7.86388382e-04] [ 6.28596312e-04 -7.87030964e-04 7.86388382e-04] [-6.28596312e-04 7.87030964e-04 -7.86388382e-04] [-6.28596312e-04 -7.87030964e-04 -7.86388382e-04] [ 1.62060005e-03 2.32036612e-14 6.61159271e-04] [-5.49858991e-04 1.30489369e-13 1.51145296e-03] [ 5.49858991e-04 1.63410951e-13 -1.51145296e-03] [-1.62060005e-03 7.62064023e-14 -6.61159271e-04] [ 5.34041020e-04 -4.25844615e-04 6.35871010e-04] [-5.34041020e-04 -4.25844615e-04 -6.35871010e-04] [ 5.34041021e-04 4.25844615e-04 6.35871010e-04] [-5.34041021e-04 4.25844615e-04 -6.35871010e-04] [ 6.28596312e-04 7.87030964e-04 7.86388382e-04] [ 6.28596312e-04 -7.87030964e-04 7.86388381e-04] [-6.28596312e-04 7.87030964e-04 -7.86388382e-04] [-6.28596312e-04 -7.87030964e-04 -7.86388381e-04] [ 1.62060005e-03 -2.78343541e-14 6.61159271e-04] [-5.49858991e-04 1.09461051e-15 1.51145296e-03] [ 5.49858991e-04 -5.83183675e-14 -1.51145296e-03] [-1.62060005e-03 -5.59478679e-14 -6.61159271e-04] [ 5.34041021e-04 -4.25844615e-04 6.35871010e-04] [-5.34041021e-04 -4.25844615e-04 -6.35871010e-04] [ 5.34041021e-04 4.25844615e-04 6.35871010e-04] [-5.34041021e-04 4.25844615e-04 -6.35871010e-04]] Final stress: [-2.92557448e-05 9.21892469e-05 9.22708616e-05 -1.29647206e-16 1.05280356e-04 2.49321550e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.62644375e-03 1.69638609e-14 2.10091207e-04] [-1.62644375e-03 -4.34929870e-14 -2.10091207e-04] [-8.43118977e-15 1.86711953e-04 1.41978443e-14] [-9.60342916e-15 -1.86711953e-04 5.82867088e-16] [ 1.95010466e-04 5.12983753e-14 1.96279624e-04] [-1.95010466e-04 4.88498131e-15 -1.96279624e-04] [ 1.62644375e-03 -1.02392053e-15 2.10091207e-04] [-1.62644375e-03 1.64208924e-14 -2.10091207e-04] [ 1.75319828e-14 1.86711953e-04 -9.61679481e-15] [ 1.95503336e-14 -1.86711953e-04 -1.48152512e-14] [ 1.95010466e-04 9.93250282e-15 1.96279624e-04] [-1.95010466e-04 2.80953562e-14 -1.96279624e-04] [-4.26240591e-04 -3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 -1.32880987e-03 5.36071726e-04] [ 4.26240591e-04 -3.72266202e-04 -4.29204202e-04] [-3.23882288e-04 -1.32880987e-03 -5.36071726e-04] [-3.23882288e-04 1.32880987e-03 -5.36071726e-04] [ 4.26240591e-04 3.72266202e-04 -4.29204202e-04] [-4.26240591e-04 3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 1.32880987e-03 5.36071727e-04] [-4.26240591e-04 -3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 -1.32880987e-03 5.36071727e-04] [ 4.26240591e-04 -3.72266203e-04 -4.29204202e-04] [-3.23882288e-04 -1.32880987e-03 -5.36071726e-04] [-3.23882288e-04 1.32880987e-03 -5.36071726e-04] [ 4.26240591e-04 3.72266202e-04 -4.29204202e-04] [-4.26240591e-04 3.72266202e-04 4.29204202e-04] [ 3.23882288e-04 1.32880987e-03 5.36071726e-04] [-1.43024481e-13 1.30728761e-14 -3.72757381e-14] [ 1.02214244e-14 -3.34765690e-14 -2.03333149e-15] [-6.28596312e-04 7.87030964e-04 7.86388382e-04] [-6.28596313e-04 -7.87030964e-04 7.86388382e-04] [ 6.28596312e-04 7.87030964e-04 -7.86388382e-04] [ 6.28596312e-04 -7.87030964e-04 -7.86388382e-04] [-5.49858991e-04 -7.09432513e-14 -1.51145296e-03] [ 1.62060005e-03 -1.04811992e-14 -6.61159271e-04] [-1.62060005e-03 -5.17572096e-14 6.61159271e-04] [ 5.49858991e-04 1.12305998e-14 1.51145296e-03] [ 5.34041020e-04 -4.25844615e-04 -6.35871010e-04] [-5.34041020e-04 -4.25844615e-04 6.35871010e-04] [ 5.34041020e-04 4.25844615e-04 -6.35871010e-04] [-5.34041020e-04 4.25844615e-04 6.35871010e-04] [-6.28596312e-04 7.87030964e-04 7.86388382e-04] [-6.28596312e-04 -7.87030964e-04 7.86388381e-04] [ 6.28596312e-04 7.87030964e-04 -7.86388381e-04] [ 6.28596312e-04 -7.87030964e-04 -7.86388381e-04] [-5.49858992e-04 -7.50607974e-14 -1.51145296e-03] [ 1.62060005e-03 -2.88039991e-14 -6.61159271e-04] [-1.62060005e-03 3.98756549e-14 6.61159271e-04] [ 5.49858992e-04 3.30083183e-14 1.51145296e-03] [ 5.34041021e-04 -4.25844615e-04 -6.35871010e-04] [-5.34041021e-04 -4.25844615e-04 6.35871010e-04] [ 5.34041021e-04 4.25844615e-04 -6.35871010e-04] [-5.34041021e-04 4.25844615e-04 6.35871010e-04]] Final stress: [-2.92557449e-05 9.21892469e-05 9.22708616e-05 6.64857467e-18 -1.05280356e-04 4.48778790e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.51522310e-03 5.85339069e-15 -2.20832826e-04] [ 1.51522310e-03 1.83464355e-14 2.20832826e-04] [-2.55260223e-14 -2.02440819e-04 -1.28673114e-14] [-1.04083409e-14 2.02440819e-04 -2.17326157e-14] [-2.34086534e-04 1.03224720e-14 -1.94358290e-04] [ 2.34086534e-04 1.74860126e-14 1.94358290e-04] [-1.51522310e-03 -2.04107564e-14 -2.20832826e-04] [ 1.51522310e-03 -2.70178845e-14 2.20832826e-04] [ 3.87051502e-14 -2.02440819e-04 -1.90978317e-14] [ 4.04992880e-14 2.02440819e-04 -1.85652142e-14] [-2.34086534e-04 9.89919952e-15 -1.94358290e-04] [ 2.34086534e-04 -2.67016861e-14 1.94358290e-04] [ 4.48085377e-04 3.30047292e-04 -3.84876746e-04] [-3.09745404e-04 1.24171162e-03 -5.19090291e-04] [-4.48085377e-04 3.30047292e-04 3.84876746e-04] [ 3.09745404e-04 1.24171162e-03 5.19090291e-04] [ 3.09745404e-04 -1.24171162e-03 5.19090291e-04] [-4.48085377e-04 -3.30047292e-04 3.84876746e-04] [ 4.48085377e-04 -3.30047292e-04 -3.84876746e-04] [-3.09745404e-04 -1.24171162e-03 -5.19090291e-04] [ 4.48085377e-04 3.30047292e-04 -3.84876746e-04] [-3.09745404e-04 1.24171162e-03 -5.19090291e-04] [-4.48085377e-04 3.30047292e-04 3.84876746e-04] [ 3.09745404e-04 1.24171162e-03 5.19090291e-04] [ 3.09745404e-04 -1.24171162e-03 5.19090291e-04] [-4.48085377e-04 -3.30047292e-04 3.84876746e-04] [ 4.48085377e-04 -3.30047292e-04 -3.84876746e-04] [-3.09745404e-04 -1.24171162e-03 -5.19090291e-04] [-1.87350135e-14 7.14706072e-14 1.77718951e-13] [ 7.42791245e-14 -1.21166483e-13 2.07913215e-13] [ 5.43575317e-04 -7.29701288e-04 -7.30464812e-04] [ 5.43575317e-04 7.29701288e-04 -7.30464812e-04] [-5.43575317e-04 -7.29701288e-04 7.30464812e-04] [-5.43575317e-04 7.29701288e-04 7.30464812e-04] [ 5.53594094e-04 -6.18394225e-14 1.43851703e-03] [-1.48163089e-03 -5.33201955e-14 5.94306973e-04] [ 1.48163089e-03 -4.63760974e-14 -5.94306973e-04] [-5.53594094e-04 -2.45862358e-14 -1.43851703e-03] [-4.65168347e-04 4.21721491e-04 5.36628583e-04] [ 4.65168347e-04 4.21721491e-04 -5.36628582e-04] [-4.65168347e-04 -4.21721491e-04 5.36628583e-04] [ 4.65168347e-04 -4.21721491e-04 -5.36628582e-04] [ 5.43575317e-04 -7.29701287e-04 -7.30464812e-04] [ 5.43575317e-04 7.29701287e-04 -7.30464812e-04] [-5.43575317e-04 -7.29701288e-04 7.30464812e-04] [-5.43575317e-04 7.29701288e-04 7.30464812e-04] [ 5.53594093e-04 1.56422219e-14 1.43851703e-03] [-1.48163090e-03 2.74170877e-14 5.94306973e-04] [ 1.48163090e-03 1.62864514e-14 -5.94306973e-04] [-5.53594093e-04 7.87260881e-15 -1.43851703e-03] [-4.65168346e-04 4.21721491e-04 5.36628583e-04] [ 4.65168346e-04 4.21721491e-04 -5.36628583e-04] [-4.65168346e-04 -4.21721490e-04 5.36628582e-04] [ 4.65168346e-04 -4.21721490e-04 -5.36628583e-04]] Final stress: [ 2.59164261e-05 -9.23170528e-05 -9.22514521e-05 2.16179320e-17 1.05348558e-04 1.82920963e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.51534352e-03 -1.07453109e-14 2.20691756e-04] [ 1.51534352e-03 -1.62647673e-14 -2.20691756e-04] [-2.17968005e-15 -2.02519892e-04 -7.85569526e-15] [ 2.02893258e-14 2.02519892e-04 1.11854970e-14] [ 2.33945734e-04 1.62543590e-14 -1.94436959e-04] [-2.33945734e-04 -1.43218770e-14 1.94436959e-04] [-1.51534352e-03 -1.98565123e-14 2.20691756e-04] [ 1.51534352e-03 3.38852210e-14 -2.20691756e-04] [-2.25162770e-14 -2.02519892e-04 1.13052031e-14] [-3.60263035e-14 2.02519892e-04 -1.48849054e-14] [ 2.33945734e-04 -7.46415471e-15 -1.94436959e-04] [-2.33945734e-04 9.76806439e-15 1.94436959e-04] [ 3.09798508e-04 -1.24186635e-03 -5.19081737e-04] [-4.48101823e-04 -3.30180927e-04 -3.84905852e-04] [-3.09798508e-04 -1.24186635e-03 5.19081737e-04] [ 4.48101823e-04 -3.30180927e-04 3.84905852e-04] [ 4.48101823e-04 3.30180927e-04 3.84905852e-04] [-3.09798508e-04 1.24186635e-03 5.19081737e-04] [ 3.09798508e-04 1.24186635e-03 -5.19081737e-04] [-4.48101823e-04 3.30180927e-04 -3.84905852e-04] [ 3.09798508e-04 -1.24186635e-03 -5.19081737e-04] [-4.48101823e-04 -3.30180927e-04 -3.84905852e-04] [-3.09798508e-04 -1.24186635e-03 5.19081737e-04] [ 4.48101823e-04 -3.30180927e-04 3.84905852e-04] [ 4.48101823e-04 3.30180927e-04 3.84905852e-04] [-3.09798508e-04 1.24186635e-03 5.19081737e-04] [ 3.09798508e-04 1.24186635e-03 -5.19081737e-04] [-4.48101823e-04 3.30180927e-04 -3.84905852e-04] [ 3.71924713e-14 -1.61815006e-14 7.36632977e-14] [-1.20114856e-13 3.76368629e-15 1.24737164e-13] [-5.43577827e-04 -7.29676693e-04 -7.30440736e-04] [-5.43577827e-04 7.29676693e-04 -7.30440736e-04] [ 5.43577827e-04 -7.29676693e-04 7.30440737e-04] [ 5.43577827e-04 7.29676693e-04 7.30440737e-04] [-1.48203142e-03 -7.54951657e-15 -5.93982245e-04] [ 5.53294677e-04 -7.97816674e-14 -1.43894674e-03] [-5.53294677e-04 -4.31946146e-15 1.43894674e-03] [ 1.48203142e-03 -5.05290254e-14 5.93982244e-04] [-4.65518616e-04 4.22098926e-04 -5.36631894e-04] [ 4.65518616e-04 4.22098926e-04 5.36631894e-04] [-4.65518616e-04 -4.22098926e-04 -5.36631894e-04] [ 4.65518616e-04 -4.22098926e-04 5.36631894e-04] [-5.43577827e-04 -7.29676693e-04 -7.30440737e-04] [-5.43577827e-04 7.29676693e-04 -7.30440737e-04] [ 5.43577827e-04 -7.29676693e-04 7.30440737e-04] [ 5.43577827e-04 7.29676693e-04 7.30440737e-04] [-1.48203142e-03 4.51638795e-14 -5.93982244e-04] [ 5.53294676e-04 -4.84313110e-15 -1.43894674e-03] [-5.53294676e-04 2.17378199e-14 1.43894674e-03] [ 1.48203143e-03 -1.08133988e-14 5.93982244e-04] [-4.65518616e-04 4.22098926e-04 -5.36631894e-04] [ 4.65518615e-04 4.22098926e-04 5.36631894e-04] [-4.65518616e-04 -4.22098926e-04 -5.36631894e-04] [ 4.65518615e-04 -4.22098926e-04 5.36631894e-04]] Final stress: [ 2.59187841e-05 -9.23186450e-05 -9.22530392e-05 4.32358639e-17 -1.05350003e-04 -1.41348017e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.62644375e-03 -2.10091207e-04 2.11250288e-14] [-1.62644375e-03 2.10091207e-04 2.27873276e-14] [-1.95010466e-04 1.96279624e-04 1.76113464e-14] [ 1.95010466e-04 -1.96279624e-04 2.90045765e-14] [-5.36454561e-14 1.42615954e-14 1.86711953e-04] [-3.71092046e-14 -2.90323321e-14 -1.86711953e-04] [ 1.62644375e-03 -2.10091207e-04 -8.06710642e-15] [-1.62644375e-03 2.10091207e-04 -3.75569025e-14] [-1.95010466e-04 1.96279624e-04 -1.41166842e-14] [ 1.95010466e-04 -1.96279624e-04 1.00443246e-14] [-2.89169730e-14 -4.11136346e-16 1.86711953e-04] [ 3.56051993e-15 -3.50967689e-14 -1.86711953e-04] [-3.23882288e-04 5.36071726e-04 1.32880987e-03] [ 3.23882288e-04 -5.36071726e-04 1.32880987e-03] [ 4.26240591e-04 4.29204202e-04 3.72266202e-04] [-4.26240591e-04 -4.29204202e-04 3.72266202e-04] [-3.23882288e-04 5.36071726e-04 -1.32880987e-03] [ 3.23882288e-04 -5.36071726e-04 -1.32880987e-03] [-4.26240591e-04 -4.29204202e-04 -3.72266202e-04] [ 4.26240591e-04 4.29204202e-04 -3.72266202e-04] [-3.23882288e-04 5.36071726e-04 1.32880987e-03] [ 3.23882288e-04 -5.36071726e-04 1.32880987e-03] [ 4.26240591e-04 4.29204202e-04 3.72266202e-04] [-4.26240591e-04 -4.29204202e-04 3.72266202e-04] [-3.23882288e-04 5.36071726e-04 -1.32880987e-03] [ 3.23882288e-04 -5.36071726e-04 -1.32880987e-03] [-4.26240591e-04 -4.29204202e-04 -3.72266202e-04] [ 4.26240591e-04 4.29204202e-04 -3.72266202e-04] [ 5.32351940e-14 8.31557045e-14 1.37473366e-13] [-6.58197455e-15 -1.88126961e-14 1.07302987e-13] [ 6.28596312e-04 7.86388382e-04 7.87030964e-04] [-6.28596312e-04 -7.86388382e-04 7.87030964e-04] [ 6.28596312e-04 7.86388382e-04 -7.87030964e-04] [-6.28596312e-04 -7.86388382e-04 -7.87030964e-04] [ 5.34041020e-04 6.35871010e-04 -4.25844615e-04] [ 5.34041020e-04 6.35871010e-04 4.25844615e-04] [-5.34041021e-04 -6.35871010e-04 -4.25844615e-04] [-5.34041020e-04 -6.35871010e-04 4.25844615e-04] [ 1.62060005e-03 6.61159271e-04 -4.62963001e-14] [ 5.49858991e-04 -1.51145296e-03 -2.26207941e-15] [-5.49858991e-04 1.51145296e-03 2.41646980e-15] [-1.62060005e-03 -6.61159271e-04 1.32862471e-14] [ 6.28596312e-04 7.86388381e-04 7.87030964e-04] [-6.28596312e-04 -7.86388382e-04 7.87030964e-04] [ 6.28596312e-04 7.86388382e-04 -7.87030964e-04] [-6.28596312e-04 -7.86388382e-04 -7.87030964e-04] [ 5.34041021e-04 6.35871010e-04 -4.25844615e-04] [ 5.34041021e-04 6.35871010e-04 4.25844615e-04] [-5.34041021e-04 -6.35871010e-04 -4.25844615e-04] [-5.34041021e-04 -6.35871010e-04 4.25844615e-04] [ 1.62060005e-03 6.61159271e-04 -1.64300341e-14] [ 5.49858991e-04 -1.51145296e-03 -9.41712935e-15] [-5.49858991e-04 1.51145296e-03 -8.74287418e-15] [-1.62060005e-03 -6.61159271e-04 6.34735320e-15]] Final stress: [-2.92557448e-05 9.22708616e-05 9.21892469e-05 1.82835803e-17 -7.81207524e-17 1.05280356e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.62644375e-03 2.10091207e-04 5.55076818e-14] [-1.62644375e-03 -2.10091207e-04 8.00748357e-14] [ 1.95010466e-04 1.96279624e-04 5.79089728e-14] [-1.95010466e-04 -1.96279624e-04 6.30051566e-14] [ 1.96774021e-14 -1.44077458e-14 1.86711953e-04] [-2.78665979e-14 -5.27355937e-16 -1.86711953e-04] [ 1.62644375e-03 2.10091207e-04 1.72649538e-14] [-1.62644375e-03 -2.10091207e-04 1.50645224e-14] [ 1.95010466e-04 1.96279624e-04 -2.58253691e-14] [-1.95010466e-04 -1.96279624e-04 -6.61840217e-15] [ 5.57492420e-14 -2.39128899e-15 1.86711953e-04] [ 6.12864794e-14 -2.12196838e-14 -1.86711953e-04] [-4.26240591e-04 4.29204202e-04 -3.72266202e-04] [ 4.26240591e-04 -4.29204202e-04 -3.72266202e-04] [ 3.23882288e-04 5.36071726e-04 -1.32880987e-03] [-3.23882288e-04 -5.36071726e-04 -1.32880987e-03] [-4.26240591e-04 4.29204202e-04 3.72266202e-04] [ 4.26240591e-04 -4.29204202e-04 3.72266202e-04] [-3.23882288e-04 -5.36071726e-04 1.32880987e-03] [ 3.23882288e-04 5.36071726e-04 1.32880987e-03] [-4.26240591e-04 4.29204202e-04 -3.72266202e-04] [ 4.26240591e-04 -4.29204202e-04 -3.72266202e-04] [ 3.23882288e-04 5.36071726e-04 -1.32880987e-03] [-3.23882288e-04 -5.36071726e-04 -1.32880987e-03] [-4.26240591e-04 4.29204202e-04 3.72266202e-04] [ 4.26240591e-04 -4.29204202e-04 3.72266202e-04] [-3.23882288e-04 -5.36071726e-04 1.32880987e-03] [ 3.23882288e-04 5.36071726e-04 1.32880987e-03] [-1.10883525e-13 -6.81399381e-14 1.40110146e-13] [-1.50446496e-13 -2.57064453e-14 1.16046437e-14] [-6.28596312e-04 7.86388381e-04 7.87030964e-04] [ 6.28596312e-04 -7.86388381e-04 7.87030964e-04] [-6.28596312e-04 7.86388382e-04 -7.87030964e-04] [ 6.28596312e-04 -7.86388382e-04 -7.87030964e-04] [ 5.34041021e-04 -6.35871010e-04 -4.25844616e-04] [ 5.34041021e-04 -6.35871010e-04 4.25844615e-04] [-5.34041021e-04 6.35871010e-04 -4.25844616e-04] [-5.34041020e-04 6.35871010e-04 4.25844615e-04] [-5.49858991e-04 -1.51145296e-03 -7.19424520e-14] [-1.62060005e-03 6.61159271e-04 -1.17902216e-13] [ 1.62060005e-03 -6.61159271e-04 5.25794686e-15] [ 5.49858991e-04 1.51145296e-03 -2.59861577e-15] [-6.28596312e-04 7.86388382e-04 7.87030964e-04] [ 6.28596312e-04 -7.86388381e-04 7.87030964e-04] [-6.28596312e-04 7.86388382e-04 -7.87030964e-04] [ 6.28596312e-04 -7.86388382e-04 -7.87030964e-04] [ 5.34041021e-04 -6.35871010e-04 -4.25844615e-04] [ 5.34041020e-04 -6.35871010e-04 4.25844615e-04] [-5.34041020e-04 6.35871010e-04 -4.25844616e-04] [-5.34041020e-04 6.35871010e-04 4.25844615e-04] [-5.49858991e-04 -1.51145296e-03 5.26909055e-14] [-1.62060005e-03 6.61159271e-04 2.22690383e-15] [ 1.62060005e-03 -6.61159271e-04 2.15756266e-14] [ 5.49858991e-04 1.51145296e-03 5.94663208e-15]] Final stress: [-2.92557448e-05 9.22708616e-05 9.21892469e-05 -4.15535917e-17 3.15807297e-17 -1.05280356e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.51529975e-03 -2.20743028e-04 1.07231932e-14] [ 1.51529975e-03 2.20743028e-04 5.80646642e-14] [-2.33996908e-04 -1.94408366e-04 5.80191277e-14] [ 2.33996908e-04 1.94408366e-04 1.63480340e-14] [ 7.06041128e-14 -5.23461482e-14 -2.02491152e-04] [ 2.77555756e-14 -5.03486142e-14 2.02491152e-04] [-1.51529975e-03 -2.20743028e-04 -2.33591893e-14] [ 1.51529975e-03 2.20743028e-04 -1.94261419e-14] [-2.33996908e-04 -1.94408366e-04 -2.50055768e-14] [ 2.33996908e-04 1.94408366e-04 -3.71132312e-14] [-1.38604406e-14 2.14529524e-14 -2.02491152e-04] [-5.06586960e-14 -2.00262228e-14 2.02491152e-04] [ 4.48095845e-04 -3.84895273e-04 3.30132357e-04] [-4.48095845e-04 3.84895273e-04 3.30132357e-04] [-3.09779207e-04 -5.19084846e-04 1.24181011e-03] [ 3.09779208e-04 5.19084846e-04 1.24181011e-03] [ 4.48095845e-04 -3.84895273e-04 -3.30132357e-04] [-4.48095845e-04 3.84895273e-04 -3.30132357e-04] [ 3.09779207e-04 5.19084846e-04 -1.24181011e-03] [-3.09779207e-04 -5.19084846e-04 -1.24181011e-03] [ 4.48095845e-04 -3.84895273e-04 3.30132357e-04] [-4.48095845e-04 3.84895273e-04 3.30132357e-04] [-3.09779208e-04 -5.19084846e-04 1.24181011e-03] [ 3.09779207e-04 5.19084846e-04 1.24181011e-03] [ 4.48095845e-04 -3.84895273e-04 -3.30132357e-04] [-4.48095845e-04 3.84895273e-04 -3.30132357e-04] [ 3.09779207e-04 5.19084846e-04 -1.24181011e-03] [-3.09779207e-04 -5.19084846e-04 -1.24181011e-03] [ 1.70030656e-13 -2.27595720e-14 3.28626015e-14] [-3.73733162e-14 -8.52381907e-15 -3.41429861e-14] [ 5.43576915e-04 -7.30449487e-04 -7.29685632e-04] [-5.43576915e-04 7.30449487e-04 -7.29685632e-04] [ 5.43576915e-04 -7.30449487e-04 7.29685632e-04] [-5.43576915e-04 7.30449488e-04 7.29685632e-04] [-4.65391309e-04 5.36630691e-04 4.21961746e-04] [-4.65391309e-04 5.36630691e-04 -4.21961746e-04] [ 4.65391309e-04 -5.36630691e-04 4.21961746e-04] [ 4.65391309e-04 -5.36630691e-04 -4.21961746e-04] [ 5.53403501e-04 1.43879056e-03 -9.08162434e-14] [ 1.48188585e-03 -5.94100269e-04 -1.03327069e-13] [-1.48188585e-03 5.94100269e-04 4.64212002e-15] [-5.53403501e-04 -1.43879056e-03 8.26890639e-14] [ 5.43576916e-04 -7.30449488e-04 -7.29685632e-04] [-5.43576915e-04 7.30449488e-04 -7.29685632e-04] [ 5.43576916e-04 -7.30449487e-04 7.29685632e-04] [-5.43576915e-04 7.30449487e-04 7.29685632e-04] [-4.65391309e-04 5.36630691e-04 4.21961746e-04] [-4.65391309e-04 5.36630691e-04 -4.21961746e-04] [ 4.65391309e-04 -5.36630691e-04 4.21961746e-04] [ 4.65391309e-04 -5.36630691e-04 -4.21961746e-04] [ 5.53403501e-04 1.43879056e-03 9.02807529e-14] [ 1.48188585e-03 -5.94100269e-04 6.85107692e-14] [-1.48188585e-03 5.94100269e-04 3.97469668e-14] [-5.53403501e-04 -1.43879056e-03 1.44207563e-14]] Final stress: [ 2.59179271e-05 -9.22524624e-05 -9.23180663e-05 1.28044674e-16 8.31458922e-18 1.05349478e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.51521217e-03 2.20845636e-04 -6.28620420e-15] [ 1.51521217e-03 -2.20845636e-04 1.03250741e-14] [ 2.34099319e-04 -1.94351146e-04 5.94576471e-16] [-2.34099319e-04 1.94351147e-04 -1.63202785e-14] [ 2.41560244e-14 3.11183371e-14 -2.02433638e-04] [-7.32747196e-15 -2.22044605e-16 2.02433638e-04] [-1.51521217e-03 2.20845636e-04 -8.36706107e-15] [ 1.51521217e-03 -2.20845636e-04 6.11351201e-15] [ 2.34099319e-04 -1.94351146e-04 7.46323090e-15] [-2.34099319e-04 1.94351147e-04 -1.65012669e-14] [-4.01740273e-14 4.78195055e-15 -2.02433638e-04] [-1.96448760e-14 3.43546177e-15 2.02433638e-04] [ 3.09740582e-04 -5.19091067e-04 -1.24169757e-03] [-3.09740582e-04 5.19091067e-04 -1.24169757e-03] [-4.48083883e-04 -3.84874103e-04 -3.30035157e-04] [ 4.48083883e-04 3.84874103e-04 -3.30035157e-04] [ 3.09740582e-04 -5.19091067e-04 1.24169757e-03] [-3.09740582e-04 5.19091067e-04 1.24169757e-03] [ 4.48083883e-04 3.84874103e-04 3.30035157e-04] [-4.48083883e-04 -3.84874103e-04 3.30035157e-04] [ 3.09740582e-04 -5.19091068e-04 -1.24169757e-03] [-3.09740582e-04 5.19091067e-04 -1.24169757e-03] [-4.48083883e-04 -3.84874103e-04 -3.30035157e-04] [ 4.48083883e-04 3.84874103e-04 -3.30035157e-04] [ 3.09740582e-04 -5.19091068e-04 1.24169757e-03] [-3.09740582e-04 5.19091067e-04 1.24169757e-03] [ 4.48083883e-04 3.84874103e-04 3.30035157e-04] [-4.48083883e-04 -3.84874103e-04 3.30035157e-04] [ 1.05082609e-13 4.09949852e-14 9.58122470e-14] [ 1.26264017e-13 -1.81411511e-13 4.84450868e-14] [-5.43575089e-04 -7.30466999e-04 -7.29703521e-04] [ 5.43575089e-04 7.30466999e-04 -7.29703521e-04] [-5.43575089e-04 -7.30466999e-04 7.29703521e-04] [ 5.43575089e-04 7.30466999e-04 7.29703521e-04] [-4.65136540e-04 -5.36628282e-04 4.21687217e-04] [-4.65136540e-04 -5.36628282e-04 -4.21687218e-04] [ 4.65136540e-04 5.36628282e-04 4.21687217e-04] [ 4.65136540e-04 5.36628282e-04 -4.21687217e-04] [-1.48159452e-03 -5.94336460e-04 6.80566714e-14] [-5.53621282e-04 1.43847801e-03 -1.97012545e-14] [ 5.53621283e-04 -1.43847801e-03 -1.64469133e-14] [ 1.48159452e-03 5.94336460e-04 -3.10636933e-14] [-5.43575089e-04 -7.30466999e-04 -7.29703521e-04] [ 5.43575089e-04 7.30466999e-04 -7.29703521e-04] [-5.43575089e-04 -7.30466999e-04 7.29703521e-04] [ 5.43575089e-04 7.30466999e-04 7.29703521e-04] [-4.65136540e-04 -5.36628282e-04 4.21687217e-04] [-4.65136540e-04 -5.36628282e-04 -4.21687218e-04] [ 4.65136540e-04 5.36628282e-04 4.21687217e-04] [ 4.65136540e-04 5.36628282e-04 -4.21687217e-04] [-1.48159452e-03 -5.94336460e-04 2.76019645e-14] [-5.53621282e-04 1.43847801e-03 -5.95484016e-14] [ 5.53621282e-04 -1.43847801e-03 1.78747330e-14] [ 1.48159452e-03 5.94336460e-04 9.92218460e-15]] Final stress: [ 2.59162120e-05 -9.22513080e-05 -9.23169082e-05 1.43010935e-16 3.65841926e-17 -1.05348427e-04] Minimization converged after 24 steps. Minimization converged after 17 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.78503300e-05 2.29209013e-14 -6.09473409e-14] [-2.78503300e-05 -1.86795024e-14 -8.65973959e-15] [ 1.07595356e-13 3.84183888e-03 -1.97645719e-14] [ 8.01581024e-14 -3.84183888e-03 2.87825319e-14] [ 7.98402143e-14 7.04939579e-14 -3.85023253e-03] [ 7.06101844e-14 1.87350135e-14 3.85023253e-03] [ 2.78503299e-05 -9.86493873e-15 -7.79415372e-14] [-2.78503299e-05 -4.30818575e-14 -8.20321669e-14] [-3.74327305e-14 3.84183888e-03 -2.98371772e-14] [-2.55455379e-14 -3.84183888e-03 -3.29038113e-14] [-6.79577922e-16 -1.14098902e-14 -3.85023253e-03] [-1.86265933e-15 -3.70525656e-15 3.85023253e-03] [-7.18529292e-06 2.19533845e-04 -2.44957375e-04] [ 7.18529293e-06 -2.19533845e-04 -2.44957375e-04] [ 7.18529289e-06 2.19533845e-04 2.44957375e-04] [-7.18529295e-06 -2.19533845e-04 2.44957375e-04] [-7.18529292e-06 2.19533845e-04 2.44957375e-04] [ 7.18529294e-06 -2.19533845e-04 2.44957375e-04] [-7.18529300e-06 -2.19533845e-04 -2.44957375e-04] [ 7.18529289e-06 2.19533845e-04 -2.44957375e-04] [-7.18529297e-06 2.19533844e-04 -2.44957375e-04] [ 7.18529285e-06 -2.19533845e-04 -2.44957375e-04] [ 7.18529291e-06 2.19533845e-04 2.44957375e-04] [-7.18529301e-06 -2.19533845e-04 2.44957375e-04] [-7.18529301e-06 2.19533845e-04 2.44957375e-04] [ 7.18529287e-06 -2.19533845e-04 2.44957375e-04] [-7.18529302e-06 -2.19533845e-04 -2.44957375e-04] [ 7.18529285e-06 2.19533844e-04 -2.44957374e-04] [ 1.40970569e-13 3.41393580e-15 -5.02931030e-14] [ 1.52208975e-14 -5.94822900e-14 2.80444538e-14] [ 1.47326595e-13 2.26698798e-04 -2.44970244e-04] [ 7.74241782e-14 -2.26698798e-04 -2.44970244e-04] [ 1.03788506e-13 2.26698798e-04 2.44970244e-04] [ 1.03122372e-13 -2.26698798e-04 2.44970244e-04] [ 2.66602934e-04 -9.48130463e-14 3.86967968e-05] [ 2.66602934e-04 -9.03045000e-14 -3.86967968e-05] [-2.66602934e-04 -5.59292196e-14 3.86967965e-05] [-2.66602934e-04 5.22568100e-14 -3.86967968e-05] [-2.67859266e-04 -2.38244631e-05 1.27009514e-13] [ 2.67859266e-04 -2.38244630e-05 1.05887521e-14] [-2.67859266e-04 2.38244631e-05 3.40873163e-15] [ 2.67859266e-04 2.38244631e-05 5.68416841e-14] [-1.69408758e-14 2.26698798e-04 -2.44970244e-04] [ 1.22840974e-13 -2.26698798e-04 -2.44970244e-04] [ 9.04779723e-14 2.26698798e-04 2.44970244e-04] [-8.42641928e-16 -2.26698798e-04 2.44970244e-04] [ 2.66602934e-04 -5.37095399e-14 3.86967968e-05] [ 2.66602934e-04 -8.02016873e-14 -3.86967969e-05] [-2.66602934e-04 1.41134500e-13 3.86967967e-05] [-2.66602934e-04 -6.29548497e-14 -3.86967968e-05] [-2.67859266e-04 -2.38244632e-05 1.43976360e-14] [ 2.67859266e-04 -2.38244633e-05 -4.29780824e-14] [-2.67859266e-04 2.38244630e-05 2.03898012e-13] [ 2.67859266e-04 2.38244633e-05 1.38479939e-13]] Final stress: [-1.21642893e-07 -8.95664011e-05 9.01940718e-05 2.82630213e-17 -9.97518399e-18 7.14888186e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.78350235e-05 -6.52863180e-15 9.55355586e-15] [-2.78350237e-05 1.16018306e-14 4.89053242e-14] [ 7.84095011e-14 -3.84831510e-03 2.27426585e-14] [ 7.88535903e-14 3.84831510e-03 2.16215934e-14] [ 6.04581489e-14 1.02340011e-14 3.83992385e-03] [ 5.68711744e-14 7.46624984e-15 -3.83992385e-03] [ 2.78350237e-05 7.94459984e-15 -3.97496339e-14] [-2.78350235e-05 -9.22786153e-15 -2.10753791e-14] [-1.31001980e-14 -3.84831510e-03 -1.07310895e-14] [ 3.34498054e-15 3.84831510e-03 -6.87970591e-15] [-3.84158851e-14 -4.15627635e-14 3.83992385e-03] [-3.03654671e-14 -3.49070182e-14 -3.83992385e-03] [-7.18092953e-06 -2.44761350e-04 2.19348188e-04] [ 7.18092960e-06 2.44761350e-04 2.19348188e-04] [ 7.18092948e-06 -2.44761350e-04 -2.19348188e-04] [-7.18092950e-06 2.44761350e-04 -2.19348188e-04] [-7.18092949e-06 -2.44761350e-04 -2.19348188e-04] [ 7.18092959e-06 2.44761350e-04 -2.19348188e-04] [-7.18092954e-06 2.44761350e-04 2.19348188e-04] [ 7.18092947e-06 -2.44761350e-04 2.19348188e-04] [-7.18092949e-06 -2.44761350e-04 2.19348188e-04] [ 7.18092950e-06 2.44761350e-04 2.19348188e-04] [ 7.18092950e-06 -2.44761350e-04 -2.19348188e-04] [-7.18092947e-06 2.44761350e-04 -2.19348188e-04] [-7.18092949e-06 -2.44761350e-04 -2.19348188e-04] [ 7.18092949e-06 2.44761350e-04 -2.19348188e-04] [-7.18092947e-06 2.44761350e-04 2.19348188e-04] [ 7.18092952e-06 -2.44761350e-04 2.19348188e-04] [ 1.39971368e-13 -4.82114348e-14 1.32560629e-13] [-6.11997432e-14 -1.08275563e-14 3.51946302e-14] [ 3.33066907e-16 -2.41949199e-04 2.23684602e-04] [ 9.89486271e-15 2.41949198e-04 2.23684602e-04] [ 3.77822773e-14 -2.41949199e-04 -2.23684602e-04] [ 3.60371455e-14 2.41949199e-04 -2.23684602e-04] [-2.66572225e-04 -6.40598685e-14 -2.55490056e-05] [-2.66572225e-04 -3.37421063e-14 2.55490055e-05] [ 2.66572225e-04 -3.41445622e-14 -2.55490056e-05] [ 2.66572225e-04 -5.95964250e-14 2.55490056e-05] [ 2.65295285e-04 4.04130427e-05 7.87148124e-14] [-2.65295285e-04 4.04130428e-05 1.14110110e-14] [ 2.65295285e-04 -4.04130428e-05 9.79338138e-14] [-2.65295285e-04 -4.04130427e-05 -2.11618917e-14] [ 2.21737125e-13 -2.41949199e-04 2.23684602e-04] [ 5.56525312e-14 2.41949199e-04 2.23684602e-04] [ 3.84562174e-14 -2.41949198e-04 -2.23684602e-04] [ 6.00908212e-15 2.41949199e-04 -2.23684602e-04] [-2.66572225e-04 -3.39133075e-14 -2.55490056e-05] [-2.66572225e-04 1.77449201e-14 2.55490057e-05] [ 2.66572224e-04 1.49069125e-14 -2.55490056e-05] [ 2.66572224e-04 6.20900900e-14 2.55490055e-05] [ 2.65295285e-04 4.04130426e-05 4.79577286e-14] [-2.65295285e-04 4.04130426e-05 4.42010794e-14] [ 2.65295285e-04 -4.04130427e-05 -3.60066930e-15] [-2.65295285e-04 -4.04130427e-05 2.68535194e-15]] Final stress: [-1.21545984e-07 9.01740645e-05 -8.95466704e-05 -2.49379600e-17 -6.15136346e-17 1.49627760e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.76352510e-04 -9.43294921e-14 7.98493216e-14] [-2.76352511e-04 4.94881913e-14 3.94961841e-14] [ 5.33149913e-14 -8.12460915e-03 1.22317521e-13] [ 1.22540866e-13 8.12460915e-03 -3.76920717e-14] [-2.02359830e-14 -1.44571854e-14 -8.12460915e-03] [-9.37860900e-14 -2.08166817e-15 8.12460915e-03] [ 2.76352510e-04 2.20662898e-13 -6.93935745e-14] [-2.76352511e-04 1.17969003e-13 -4.96471093e-14] [-1.15788455e-13 -8.12460915e-03 3.98196650e-14] [-1.11194040e-13 8.12460915e-03 7.11866077e-14] [-3.45268519e-13 -1.74113745e-14 -8.12460915e-03] [-1.05834178e-13 3.20288844e-14 8.12460915e-03] [-4.10402999e-03 -7.71623089e-04 -7.71623089e-04] [ 4.10402999e-03 7.71623089e-04 -7.71623090e-04] [ 4.10402999e-03 -7.71623089e-04 7.71623089e-04] [-4.10402999e-03 7.71623089e-04 7.71623089e-04] [-4.10402999e-03 -7.71623089e-04 7.71623089e-04] [ 4.10402999e-03 7.71623089e-04 7.71623090e-04] [-4.10402999e-03 7.71623089e-04 -7.71623089e-04] [ 4.10402999e-03 -7.71623089e-04 -7.71623090e-04] [-4.10402999e-03 -7.71623090e-04 -7.71623090e-04] [ 4.10402999e-03 7.71623090e-04 -7.71623090e-04] [ 4.10402999e-03 -7.71623089e-04 7.71623089e-04] [-4.10402999e-03 7.71623090e-04 7.71623090e-04] [-4.10402999e-03 -7.71623090e-04 7.71623089e-04] [ 4.10402999e-03 7.71623089e-04 7.71623089e-04] [-4.10402999e-03 7.71623090e-04 -7.71623090e-04] [ 4.10402999e-03 -7.71623089e-04 -7.71623089e-04] [ 1.34800504e-12 -1.64701586e-13 1.14894205e-12] [-4.10875760e-13 -5.94622616e-13 6.77550044e-13] [-3.07531778e-13 1.12488868e-03 1.12488868e-03] [ 3.00218184e-13 -1.12488868e-03 1.12488868e-03] [ 4.23917845e-13 1.12488868e-03 -1.12488868e-03] [ 1.45813916e-13 -1.12488868e-03 -1.12488868e-03] [-7.25111430e-04 -3.92685884e-13 -2.72913489e-03] [-7.25111431e-04 -5.16149623e-14 2.72913489e-03] [ 7.25111430e-04 -1.30924785e-13 -2.72913489e-03] [ 7.25111431e-04 -3.55283511e-13 2.72913489e-03] [-7.25111431e-04 -2.72913489e-03 6.56363852e-13] [ 7.25111432e-04 -2.72913489e-03 4.19801346e-13] [-7.25111431e-04 2.72913489e-03 7.08010039e-13] [ 7.25111431e-04 2.72913489e-03 -6.39939490e-14] [ 2.17707796e-13 1.12488868e-03 1.12488868e-03] [-3.07835354e-13 -1.12488868e-03 1.12488868e-03] [ 2.21054945e-13 1.12488868e-03 -1.12488868e-03] [ 3.72744804e-13 -1.12488868e-03 -1.12488868e-03] [-7.25111431e-04 -1.88689836e-13 -2.72913489e-03] [-7.25111432e-04 -2.34187452e-13 2.72913489e-03] [ 7.25111431e-04 -3.25713848e-13 -2.72913489e-03] [ 7.25111432e-04 2.94879572e-13 2.72913489e-03] [-7.25111431e-04 -2.72913489e-03 7.06439759e-13] [ 7.25111431e-04 -2.72913489e-03 2.72084181e-13] [-7.25111430e-04 2.72913489e-03 -2.60948862e-14] [ 7.25111430e-04 2.72913489e-03 1.30366204e-13]] Final stress: [-3.05871794e-04 4.15589447e-05 4.15589447e-05 8.98184712e-17 -2.22882873e-16 -1.94606688e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.86711953e-04 -4.40194756e-14 3.52452442e-14] [-1.86711953e-04 -3.06699111e-14 3.73590048e-14] [-2.08036713e-14 1.62644375e-03 -2.10091206e-04] [ 1.57096558e-14 -1.62644375e-03 2.10091207e-04] [ 1.71911096e-14 -1.95010466e-04 1.96279624e-04] [-9.71445147e-15 1.95010466e-04 -1.96279624e-04] [ 1.86711953e-04 1.31366272e-14 1.81617044e-14] [-1.86711953e-04 1.39736313e-14 -3.52426277e-14] [-8.59902427e-15 1.62644375e-03 -2.10091207e-04] [-1.75367533e-14 -1.62644375e-03 2.10091207e-04] [ 5.39195424e-15 -1.95010466e-04 1.96279624e-04] [ 4.33411987e-14 1.95010466e-04 -1.96279624e-04] [ 1.32880987e-03 -3.23882288e-04 5.36071726e-04] [ 3.72266202e-04 4.26240591e-04 4.29204202e-04] [ 3.72266202e-04 -4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 -4.26240591e-04 -4.29204202e-04] [-1.32880987e-03 3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 4.26240591e-04 4.29204202e-04] [-1.32880987e-03 -3.23882288e-04 5.36071726e-04] [ 1.32880987e-03 -3.23882288e-04 5.36071726e-04] [ 3.72266202e-04 4.26240591e-04 4.29204202e-04] [ 3.72266202e-04 -4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 -4.26240591e-04 -4.29204202e-04] [-1.32880987e-03 3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 4.26240591e-04 4.29204202e-04] [-1.32880987e-03 -3.23882288e-04 5.36071727e-04] [ 8.96505092e-14 -1.73971948e-13 1.27398092e-13] [-1.46297904e-14 -1.55290153e-13 -8.51144962e-14] [-1.50435220e-13 1.62060005e-03 6.61159271e-04] [-7.07298803e-14 5.49858991e-04 -1.51145296e-03] [ 2.21454799e-14 -5.49858991e-04 1.51145296e-03] [-1.42351408e-14 -1.62060005e-03 -6.61159271e-04] [ 7.87030964e-04 6.28596313e-04 7.86388382e-04] [ 7.87030964e-04 -6.28596313e-04 -7.86388382e-04] [-7.87030964e-04 6.28596313e-04 7.86388382e-04] [-7.87030964e-04 -6.28596313e-04 -7.86388382e-04] [-4.25844615e-04 5.34041021e-04 6.35871010e-04] [ 4.25844615e-04 5.34041021e-04 6.35871010e-04] [-4.25844615e-04 -5.34041021e-04 -6.35871010e-04] [ 4.25844615e-04 -5.34041020e-04 -6.35871010e-04] [ 8.02352976e-15 1.62060005e-03 6.61159271e-04] [ 8.95160682e-15 5.49858992e-04 -1.51145296e-03] [ 1.95893649e-15 -5.49858991e-04 1.51145296e-03] [-2.22231088e-14 -1.62060005e-03 -6.61159271e-04] [ 7.87030964e-04 6.28596312e-04 7.86388382e-04] [ 7.87030964e-04 -6.28596312e-04 -7.86388382e-04] [-7.87030964e-04 6.28596312e-04 7.86388382e-04] [-7.87030964e-04 -6.28596312e-04 -7.86388382e-04] [-4.25844616e-04 5.34041021e-04 6.35871010e-04] [ 4.25844616e-04 5.34041021e-04 6.35871010e-04] [-4.25844616e-04 -5.34041021e-04 -6.35871010e-04] [ 4.25844616e-04 -5.34041021e-04 -6.35871010e-04]] Final stress: [ 9.21892469e-05 -2.92557449e-05 9.22708616e-05 1.05280356e-04 4.32157354e-17 -9.80664764e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.86711953e-04 5.90903194e-14 4.43941758e-14] [-1.86711953e-04 2.31481501e-14 6.71684930e-15] [ 4.90610157e-14 1.62644375e-03 2.10091207e-04] [ 4.34374758e-14 -1.62644375e-03 -2.10091207e-04] [ 2.75560824e-15 1.95010466e-04 1.96279624e-04] [ 1.60149671e-14 -1.95010466e-04 -1.96279624e-04] [ 1.86711953e-04 -5.76669788e-14 2.88248592e-14] [-1.86711953e-04 -3.70610660e-14 -3.58949909e-14] [ 1.05527566e-14 1.62644375e-03 2.10091207e-04] [ 1.60132324e-14 -1.62644375e-03 -2.10091207e-04] [-4.49423485e-14 1.95010466e-04 1.96279624e-04] [-2.04775433e-14 -1.95010466e-04 -1.96279624e-04] [-3.72266202e-04 -4.26240591e-04 4.29204202e-04] [-1.32880987e-03 3.23882288e-04 5.36071726e-04] [-1.32880987e-03 -3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 -3.23882288e-04 -5.36071726e-04] [ 3.72266202e-04 4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 3.23882288e-04 5.36071726e-04] [ 3.72266202e-04 -4.26240591e-04 4.29204202e-04] [-3.72266202e-04 -4.26240591e-04 4.29204202e-04] [-1.32880987e-03 3.23882288e-04 5.36071726e-04] [-1.32880987e-03 -3.23882288e-04 -5.36071726e-04] [-3.72266202e-04 4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 -3.23882288e-04 -5.36071726e-04] [ 3.72266202e-04 4.26240591e-04 -4.29204202e-04] [ 1.32880987e-03 3.23882288e-04 5.36071726e-04] [ 3.72266202e-04 -4.26240591e-04 4.29204202e-04] [ 2.76445533e-14 2.96151992e-14 -4.62685446e-14] [-1.36184466e-14 6.78438110e-14 -5.38693855e-14] [-1.36113343e-13 -5.49858991e-04 -1.51145296e-03] [-2.27871541e-13 -1.62060005e-03 6.61159271e-04] [ 4.93095148e-14 1.62060005e-03 -6.61159271e-04] [-1.06656003e-13 5.49858991e-04 1.51145296e-03] [ 7.87030964e-04 -6.28596312e-04 7.86388382e-04] [ 7.87030964e-04 6.28596312e-04 -7.86388382e-04] [-7.87030964e-04 -6.28596312e-04 7.86388381e-04] [-7.87030964e-04 6.28596312e-04 -7.86388382e-04] [-4.25844616e-04 5.34041021e-04 -6.35871010e-04] [ 4.25844615e-04 5.34041020e-04 -6.35871010e-04] [-4.25844616e-04 -5.34041021e-04 6.35871010e-04] [ 4.25844615e-04 -5.34041020e-04 6.35871009e-04] [ 5.39772220e-14 -5.49858991e-04 -1.51145296e-03] [ 3.91804644e-14 -1.62060005e-03 6.61159271e-04] [ 3.80260060e-14 1.62060005e-03 -6.61159271e-04] [ 1.14244551e-14 5.49858991e-04 1.51145296e-03] [ 7.87030964e-04 -6.28596312e-04 7.86388382e-04] [ 7.87030964e-04 6.28596312e-04 -7.86388381e-04] [-7.87030964e-04 -6.28596312e-04 7.86388382e-04] [-7.87030964e-04 6.28596312e-04 -7.86388382e-04] [-4.25844615e-04 5.34041020e-04 -6.35871010e-04] [ 4.25844615e-04 5.34041021e-04 -6.35871010e-04] [-4.25844615e-04 -5.34041021e-04 6.35871010e-04] [ 4.25844615e-04 -5.34041020e-04 6.35871010e-04]] Final stress: [ 9.21892469e-05 -2.92557448e-05 9.22708616e-05 -1.05280356e-04 9.14179017e-17 4.65400227e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.02318589e-04 1.98153126e-14 3.62158220e-14] [ 2.02318589e-04 3.39728246e-14 3.92463839e-14] [-2.15617454e-14 -1.51503696e-03 -2.21050889e-04] [-4.36872760e-14 1.51503696e-03 2.21050889e-04] [ 2.64762171e-15 -2.34304178e-04 -1.94236686e-04] [-8.93729535e-15 2.34304178e-04 1.94236686e-04] [-2.02318589e-04 -1.15255028e-14 -1.26587020e-15] [ 2.02318589e-04 3.14982415e-15 -2.63682288e-14] [ 1.89345067e-15 -1.51503696e-03 -2.21050889e-04] [-1.37776075e-14 1.51503696e-03 2.21050889e-04] [-1.82059229e-15 -2.34304178e-04 -1.94236686e-04] [ 2.86845200e-14 2.34304178e-04 1.94236686e-04] [ 3.29840723e-04 4.48059955e-04 -3.84831755e-04] [ 1.24147244e-03 -3.09663316e-04 -5.19103513e-04] [ 1.24147244e-03 3.09663316e-04 5.19103513e-04] [ 3.29840723e-04 -4.48059955e-04 3.84831755e-04] [-1.24147244e-03 3.09663316e-04 5.19103513e-04] [-3.29840723e-04 -4.48059955e-04 3.84831755e-04] [-1.24147244e-03 -3.09663316e-04 -5.19103513e-04] [-3.29840723e-04 4.48059955e-04 -3.84831755e-04] [ 3.29840723e-04 4.48059955e-04 -3.84831755e-04] [ 1.24147244e-03 -3.09663316e-04 -5.19103513e-04] [ 1.24147244e-03 3.09663316e-04 5.19103513e-04] [ 3.29840723e-04 -4.48059955e-04 3.84831755e-04] [-1.24147244e-03 3.09663316e-04 5.19103513e-04] [-3.29840723e-04 -4.48059955e-04 3.84831755e-04] [-1.24147244e-03 -3.09663316e-04 -5.19103513e-04] [-3.29840723e-04 4.48059955e-04 -3.84831755e-04] [-7.32469640e-14 9.18154441e-14 2.08999484e-13] [-2.40987785e-14 1.89897331e-13 -6.55027918e-15] [-4.90718577e-14 5.54056926e-04 1.43785280e-03] [-4.26100127e-14 1.48101176e-03 -5.94808930e-04] [ 2.07334150e-14 -1.48101176e-03 5.94808931e-04] [ 1.20146948e-14 -5.54056926e-04 -1.43785280e-03] [-7.29739305e-04 5.43571436e-04 -7.30502028e-04] [-7.29739305e-04 -5.43571436e-04 7.30502027e-04] [ 7.29739305e-04 5.43571436e-04 -7.30502028e-04] [ 7.29739305e-04 -5.43571436e-04 7.30502028e-04] [ 4.21138060e-04 -4.64626908e-04 5.36623464e-04] [-4.21138060e-04 -4.64626908e-04 5.36623464e-04] [ 4.21138060e-04 4.64626908e-04 -5.36623464e-04] [-4.21138060e-04 4.64626908e-04 -5.36623464e-04] [ 5.02983072e-15 5.54056925e-04 1.43785280e-03] [ 4.91165268e-14 1.48101176e-03 -5.94808930e-04] [-6.96361371e-15 -1.48101176e-03 5.94808930e-04] [-3.67978217e-14 -5.54056925e-04 -1.43785280e-03] [-7.29739305e-04 5.43571436e-04 -7.30502028e-04] [-7.29739305e-04 -5.43571436e-04 7.30502028e-04] [ 7.29739305e-04 5.43571436e-04 -7.30502028e-04] [ 7.29739305e-04 -5.43571436e-04 7.30502028e-04] [ 4.21138060e-04 -4.64626908e-04 5.36623464e-04] [-4.21138060e-04 -4.64626908e-04 5.36623464e-04] [ 4.21138060e-04 4.64626908e-04 -5.36623464e-04] [-4.21138060e-04 4.64626908e-04 -5.36623464e-04]] Final stress: [-9.23145915e-05 2.59127811e-05 -9.22489989e-05 1.05346325e-04 -1.99550141e-17 1.49662606e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.02476762e-04 -4.49917881e-14 -5.38176274e-14] [ 2.02476762e-04 -3.62765373e-14 -5.22082377e-14] [-2.03734599e-14 -1.51527784e-03 2.20768701e-04] [ 2.60069744e-14 1.51527784e-03 -2.20768701e-04] [ 4.87496328e-14 2.34022532e-04 -1.94394050e-04] [-3.24740235e-15 -2.34022532e-04 1.94394050e-04] [-2.02476762e-04 -1.00705035e-14 -1.37706530e-14] [ 2.02476762e-04 -3.33301095e-14 4.97215847e-15] [-1.86942475e-14 -1.51527784e-03 2.20768701e-04] [ 1.48158395e-14 1.51527784e-03 -2.20768701e-04] [-4.83810041e-14 2.34022532e-04 -1.94394050e-04] [-3.89818386e-14 -2.34022532e-04 1.94394050e-04] [-1.24178195e-03 3.09769543e-04 -5.19086402e-04] [-3.30108037e-04 -4.48092852e-04 -3.84889976e-04] [-3.30108037e-04 4.48092852e-04 3.84889976e-04] [-1.24178195e-03 -3.09769543e-04 5.19086402e-04] [ 3.30108037e-04 4.48092852e-04 3.84889976e-04] [ 1.24178195e-03 -3.09769543e-04 5.19086402e-04] [ 3.30108037e-04 -4.48092852e-04 -3.84889976e-04] [ 1.24178195e-03 3.09769543e-04 -5.19086402e-04] [-1.24178195e-03 3.09769543e-04 -5.19086402e-04] [-3.30108037e-04 -4.48092852e-04 -3.84889976e-04] [-3.30108037e-04 4.48092852e-04 3.84889976e-04] [-1.24178195e-03 -3.09769543e-04 5.19086402e-04] [ 3.30108037e-04 4.48092852e-04 3.84889976e-04] [ 1.24178195e-03 -3.09769543e-04 5.19086402e-04] [ 3.30108037e-04 -4.48092852e-04 -3.84889976e-04] [ 1.24178195e-03 3.09769543e-04 -5.19086402e-04] [ 1.60677027e-13 1.27953204e-14 -1.02695630e-13] [-6.29951820e-14 -1.03608132e-13 4.02480518e-14] [ 1.11022302e-16 -1.48181296e-03 -5.94159364e-04] [-5.73603665e-14 -5.53457990e-04 1.43871236e-03] [-1.43701023e-13 5.53457990e-04 -1.43871236e-03] [ 8.72583256e-14 1.48181296e-03 5.94159364e-04] [-7.29690108e-04 -5.43576458e-04 -7.30453869e-04] [-7.29690108e-04 5.43576458e-04 7.30453868e-04] [ 7.29690108e-04 -5.43576458e-04 -7.30453869e-04] [ 7.29690108e-04 5.43576458e-04 7.30453869e-04] [ 4.21893059e-04 -4.65327566e-04 -5.36630088e-04] [-4.21893059e-04 -4.65327566e-04 -5.36630088e-04] [ 4.21893058e-04 4.65327565e-04 5.36630088e-04] [-4.21893058e-04 4.65327565e-04 5.36630088e-04] [ 5.24710483e-14 -1.48181296e-03 -5.94159364e-04] [-2.14966933e-14 -5.53457990e-04 1.43871236e-03] [ 1.13975669e-14 5.53457990e-04 -1.43871236e-03] [-2.94222112e-14 1.48181296e-03 5.94159364e-04] [-7.29690108e-04 -5.43576458e-04 -7.30453869e-04] [-7.29690108e-04 5.43576458e-04 7.30453869e-04] [ 7.29690108e-04 -5.43576458e-04 -7.30453869e-04] [ 7.29690108e-04 5.43576458e-04 7.30453869e-04] [ 4.21893058e-04 -4.65327565e-04 -5.36630088e-04] [-4.21893058e-04 -4.65327565e-04 -5.36630088e-04] [ 4.21893058e-04 4.65327566e-04 5.36630088e-04] [-4.21893058e-04 4.65327565e-04 5.36630088e-04]] Final stress: [-9.23177765e-05 2.59174980e-05 -9.22521736e-05 -1.05349215e-04 -0.00000000e+00 -3.82471104e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.97043587e-04 -4.73883086e-14 -2.18226773e-04] [-1.97043587e-04 -1.54321000e-14 2.18226773e-04] [ 1.27415439e-14 1.59954478e-03 -1.62638999e-14] [ 2.19269047e-14 -1.59954478e-03 3.35842465e-15] [-2.18226773e-04 1.79288008e-14 1.97043587e-04] [ 2.18226773e-04 2.29538610e-14 -1.97043587e-04] [ 1.97043587e-04 -3.09552731e-14 -2.18226773e-04] [-1.97043587e-04 -3.37850407e-14 2.18226773e-04] [-4.78007391e-14 1.59954478e-03 1.53373028e-14] [-3.55306062e-14 -1.59954478e-03 2.60886980e-14] [-2.18226773e-04 -1.85850272e-15 1.97043587e-04] [ 2.18226773e-04 -2.74736831e-15 -1.97043587e-04] [ 5.35789274e-04 4.62154379e-04 5.35789274e-04] [-4.18338024e-04 1.21701064e-03 4.18338024e-04] [-5.35789274e-04 4.62154379e-04 -5.35789274e-04] [ 4.18338024e-04 1.21701064e-03 -4.18338024e-04] [ 4.18338024e-04 -1.21701064e-03 -4.18338024e-04] [-5.35789274e-04 -4.62154380e-04 -5.35789274e-04] [ 5.35789274e-04 -4.62154379e-04 5.35789274e-04] [-4.18338024e-04 -1.21701064e-03 4.18338024e-04] [ 5.35789274e-04 4.62154379e-04 5.35789274e-04] [-4.18338024e-04 1.21701064e-03 4.18338024e-04] [-5.35789274e-04 4.62154379e-04 -5.35789274e-04] [ 4.18338024e-04 1.21701064e-03 -4.18338024e-04] [ 4.18338024e-04 -1.21701064e-03 -4.18338024e-04] [-5.35789274e-04 -4.62154379e-04 -5.35789274e-04] [ 5.35789274e-04 -4.62154379e-04 5.35789274e-04] [-4.18338024e-04 -1.21701064e-03 4.18338024e-04] [-7.23865412e-14 -7.71327446e-14 -6.30329122e-14] [-4.49254349e-14 -9.65423642e-14 5.68146132e-15] [ 6.14843105e-04 5.23741989e-04 -4.20644344e-04] [ 6.14843105e-04 -5.23741989e-04 -4.20644344e-04] [-6.14843105e-04 5.23741989e-04 4.20644344e-04] [-6.14843105e-04 -5.23741989e-04 4.20644344e-04] [ 1.85118810e-03 -1.63202785e-14 1.85118810e-03] [-2.91784280e-04 -4.62078292e-14 2.91784280e-04] [ 2.91784280e-04 -2.63261635e-14 -2.91784280e-04] [-1.85118810e-03 5.82867088e-16 -1.85118810e-03] [-4.20644344e-04 5.23741989e-04 6.14843105e-04] [ 4.20644344e-04 5.23741989e-04 -6.14843105e-04] [-4.20644344e-04 -5.23741989e-04 6.14843105e-04] [ 4.20644344e-04 -5.23741989e-04 -6.14843105e-04] [ 6.14843105e-04 5.23741989e-04 -4.20644344e-04] [ 6.14843105e-04 -5.23741989e-04 -4.20644344e-04] [-6.14843105e-04 5.23741989e-04 4.20644344e-04] [-6.14843105e-04 -5.23741989e-04 4.20644344e-04] [ 1.85118810e-03 -2.63656284e-15 1.85118810e-03] [-2.91784280e-04 2.18802840e-14 2.91784280e-04] [ 2.91784280e-04 3.52851429e-14 -2.91784280e-04] [-1.85118810e-03 5.21640023e-14 -1.85118810e-03] [-4.20644344e-04 5.23741989e-04 6.14843105e-04] [ 4.20644344e-04 5.23741989e-04 -6.14843105e-04] [-4.20644344e-04 -5.23741989e-04 6.14843105e-04] [ 4.20644344e-04 -5.23741989e-04 -6.14843105e-04]] Final stress: [ 9.21326679e-05 -2.86725859e-05 9.21326679e-05 -7.97828960e-17 1.05262709e-04 -1.16350057e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96696869e-04 -1.73927713e-14 2.18803962e-04] [-1.96696870e-04 9.60342916e-15 -2.18803962e-04] [-2.20080031e-14 1.59901809e-03 -3.26869608e-14] [-5.20417043e-14 -1.59901809e-03 -3.88855614e-14] [ 2.18803962e-04 -4.07920225e-14 1.96696869e-04] [-2.18803962e-04 2.50632848e-14 -1.96696870e-04] [ 1.96696869e-04 -9.30635777e-15 2.18803962e-04] [-1.96696869e-04 -6.05635334e-15 -2.18803962e-04] [-3.88274482e-15 1.59901809e-03 -5.17854230e-14] [ 1.64542859e-14 -1.59901809e-03 -1.96277018e-14] [ 2.18803962e-04 1.97684129e-14 1.96696869e-04] [-2.18803962e-04 -3.41966375e-15 -1.96696869e-04] [ 4.18220874e-04 -1.21625422e-03 4.18220874e-04] [-5.35810362e-04 -4.61686131e-04 5.35810362e-04] [-4.18220874e-04 -1.21625422e-03 -4.18220874e-04] [ 5.35810362e-04 -4.61686131e-04 -5.35810362e-04] [ 5.35810362e-04 4.61686131e-04 -5.35810362e-04] [-4.18220874e-04 1.21625422e-03 -4.18220874e-04] [ 4.18220874e-04 1.21625422e-03 4.18220874e-04] [-5.35810362e-04 4.61686131e-04 5.35810362e-04] [ 4.18220874e-04 -1.21625422e-03 4.18220874e-04] [-5.35810362e-04 -4.61686131e-04 5.35810362e-04] [-4.18220874e-04 -1.21625422e-03 -4.18220874e-04] [ 5.35810362e-04 -4.61686131e-04 -5.35810362e-04] [ 5.35810362e-04 4.61686131e-04 -5.35810362e-04] [-4.18220874e-04 1.21625422e-03 -4.18220874e-04] [ 4.18220874e-04 1.21625422e-03 4.18220874e-04] [-5.35810362e-04 4.61686131e-04 5.35810362e-04] [ 2.67647016e-13 -1.18238752e-13 1.75331971e-13] [-2.24035634e-13 1.48426472e-14 -4.49381422e-14] [-6.14834054e-04 5.22262630e-04 -4.19064947e-04] [-6.14834054e-04 -5.22262631e-04 -4.19064947e-04] [ 6.14834053e-04 5.22262630e-04 4.19064946e-04] [ 6.14834053e-04 -5.22262630e-04 4.19064946e-04] [-2.91464259e-04 3.33066907e-16 -2.91464259e-04] [ 1.85103942e-03 -6.18081974e-14 -1.85103942e-03] [-1.85103942e-03 2.84546692e-14 1.85103942e-03] [ 2.91464259e-04 -8.44706249e-14 2.91464259e-04] [-4.19064947e-04 5.22262631e-04 -6.14834054e-04] [ 4.19064946e-04 5.22262630e-04 6.14834054e-04] [-4.19064947e-04 -5.22262630e-04 -6.14834054e-04] [ 4.19064946e-04 -5.22262630e-04 6.14834054e-04] [-6.14834054e-04 5.22262630e-04 -4.19064946e-04] [-6.14834053e-04 -5.22262630e-04 -4.19064946e-04] [ 6.14834054e-04 5.22262631e-04 4.19064947e-04] [ 6.14834054e-04 -5.22262631e-04 4.19064947e-04] [-2.91464259e-04 -3.63761940e-14 -2.91464259e-04] [ 1.85103942e-03 4.60016140e-14 -1.85103942e-03] [-1.85103942e-03 -5.29654445e-14 1.85103942e-03] [ 2.91464259e-04 -5.83517609e-15 2.91464259e-04] [-4.19064947e-04 5.22262630e-04 -6.14834053e-04] [ 4.19064946e-04 5.22262630e-04 6.14834054e-04] [-4.19064946e-04 -5.22262630e-04 -6.14834054e-04] [ 4.19064947e-04 -5.22262630e-04 6.14834054e-04]] Final stress: [ 9.21259794e-05 -2.86621961e-05 9.21259794e-05 -6.31614594e-17 -1.05256792e-04 -1.66214367e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.91188123e-04 3.40495861e-14 -2.12280559e-04] [ 1.91188123e-04 2.34257058e-14 2.12280559e-04] [-2.02893258e-14 -1.54394282e-03 -5.51342826e-14] [-1.52655666e-15 1.54394282e-03 -1.83741911e-14] [-2.12280559e-04 1.82206680e-14 -1.91188123e-04] [ 2.12280559e-04 -3.26960681e-14 1.91188123e-04] [-1.91188123e-04 -2.78557559e-14 -2.12280559e-04] [ 1.91188123e-04 -2.64762171e-14 2.12280559e-04] [ 3.93738861e-14 -1.54394282e-03 2.33710346e-14] [ 2.49023892e-14 1.54394282e-03 1.98265221e-14] [-2.12280559e-04 -1.15073948e-14 -1.91188123e-04] [ 2.12280559e-04 -1.18064096e-14 1.91188123e-04] [-3.98227490e-04 1.17677337e-03 -3.98227490e-04] [ 5.19710961e-04 4.21993955e-04 -5.19710961e-04] [ 3.98227490e-04 1.17677337e-03 3.98227490e-04] [-5.19710961e-04 4.21993955e-04 5.19710961e-04] [-5.19710961e-04 -4.21993955e-04 5.19710961e-04] [ 3.98227490e-04 -1.17677337e-03 3.98227490e-04] [-3.98227490e-04 -1.17677337e-03 -3.98227490e-04] [ 5.19710961e-04 -4.21993955e-04 -5.19710961e-04] [-3.98227490e-04 1.17677337e-03 -3.98227490e-04] [ 5.19710961e-04 4.21993955e-04 -5.19710961e-04] [ 3.98227490e-04 1.17677337e-03 3.98227490e-04] [-5.19710961e-04 4.21993955e-04 5.19710961e-04] [-5.19710961e-04 -4.21993955e-04 5.19710961e-04] [ 3.98227490e-04 -1.17677337e-03 3.98227490e-04] [-3.98227490e-04 -1.17677337e-03 -3.98227490e-04] [ 5.19710961e-04 -4.21993955e-04 -5.19710961e-04] [-1.58872915e-13 4.14945855e-14 1.49602553e-14] [ 7.52349572e-15 -1.35663296e-14 6.49247842e-15] [ 5.61370659e-04 -4.74247426e-04 4.25454383e-04] [ 5.61370659e-04 4.74247426e-04 4.25454383e-04] [-5.61370659e-04 -4.74247426e-04 -4.25454384e-04] [-5.61370659e-04 4.74247426e-04 -4.25454383e-04] [ 2.93692462e-04 3.16413562e-14 2.93692462e-04] [-1.77109007e-03 6.51978471e-14 1.77109007e-03] [ 1.77109007e-03 1.17718335e-13 -1.77109007e-03] [-2.93692462e-04 1.80674919e-13 -2.93692462e-04] [ 4.25454383e-04 -4.74247425e-04 5.61370659e-04] [-4.25454383e-04 -4.74247425e-04 -5.61370659e-04] [ 4.25454383e-04 4.74247426e-04 5.61370659e-04] [-4.25454383e-04 4.74247426e-04 -5.61370659e-04] [ 5.61370659e-04 -4.74247426e-04 4.25454383e-04] [ 5.61370659e-04 4.74247425e-04 4.25454383e-04] [-5.61370659e-04 -4.74247426e-04 -4.25454383e-04] [-5.61370659e-04 4.74247425e-04 -4.25454383e-04] [ 2.93692462e-04 -3.36824302e-14 2.93692462e-04] [-1.77109007e-03 -2.03374644e-14 1.77109007e-03] [ 1.77109007e-03 -2.84355872e-14 -1.77109007e-03] [-2.93692462e-04 -8.64811694e-14 -2.93692462e-04] [ 4.25454384e-04 -4.74247426e-04 5.61370659e-04] [-4.25454383e-04 -4.74247426e-04 -5.61370659e-04] [ 4.25454383e-04 4.74247426e-04 5.61370659e-04] [-4.25454383e-04 4.74247426e-04 -5.61370659e-04]] Final stress: [-9.23963874e-05 2.66656497e-05 -9.23963874e-05 2.66066855e-17 1.05372874e-04 -4.98875353e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.91007156e-04 -1.61502756e-15 2.09753869e-04] [ 1.91007156e-04 1.22124533e-15 -2.09753869e-04] [-3.48332474e-15 -1.55213186e-03 1.89067512e-14] [ 7.72437669e-14 1.55213186e-03 1.97064587e-15] [ 2.09753869e-04 1.84010793e-14 -1.91007156e-04] [-2.09753869e-04 8.46545056e-15 1.91007156e-04] [-1.91007156e-04 4.18389282e-14 2.09753869e-04] [ 1.91007156e-04 1.78307889e-14 -2.09753869e-04] [ 2.60022039e-14 -1.55213186e-03 4.23755792e-15] [-1.44463434e-14 1.55213186e-03 2.80449322e-14] [ 2.09753869e-04 -2.79362571e-14 -1.91007156e-04] [-2.09753869e-04 -4.20124170e-14 1.91007156e-04] [-5.20944725e-04 -4.27119327e-04 -5.20944725e-04] [ 4.02137768e-04 -1.18406634e-03 -4.02137768e-04] [ 5.20944725e-04 -4.27119327e-04 5.20944725e-04] [-4.02137768e-04 -1.18406634e-03 4.02137768e-04] [-4.02137768e-04 1.18406634e-03 4.02137768e-04] [ 5.20944725e-04 4.27119327e-04 5.20944725e-04] [-5.20944725e-04 4.27119327e-04 -5.20944725e-04] [ 4.02137768e-04 1.18406634e-03 -4.02137768e-04] [-5.20944725e-04 -4.27119327e-04 -5.20944725e-04] [ 4.02137768e-04 -1.18406634e-03 -4.02137768e-04] [ 5.20944725e-04 -4.27119327e-04 5.20944725e-04] [-4.02137768e-04 -1.18406634e-03 4.02137768e-04] [-4.02137769e-04 1.18406634e-03 4.02137768e-04] [ 5.20944725e-04 4.27119327e-04 5.20944725e-04] [-5.20944725e-04 4.27119327e-04 -5.20944725e-04] [ 4.02137768e-04 1.18406634e-03 -4.02137768e-04] [ 1.13020704e-13 -2.45081733e-14 2.35422792e-13] [ 1.65535988e-15 2.73703534e-14 5.55008543e-14] [-5.67798935e-04 -4.79223246e-04 4.28722782e-04] [-5.67798935e-04 4.79223246e-04 4.28722781e-04] [ 5.67798935e-04 -4.79223246e-04 -4.28722781e-04] [ 5.67798935e-04 4.79223246e-04 -4.28722781e-04] [-1.77973245e-03 -6.79456491e-14 -1.77973245e-03] [ 2.95570413e-04 3.64690916e-14 -2.95570413e-04] [-2.95570413e-04 3.30221961e-14 2.95570413e-04] [ 1.77973245e-03 7.98180966e-14 1.77973245e-03] [ 4.28722781e-04 -4.79223246e-04 -5.67798935e-04] [-4.28722781e-04 -4.79223246e-04 5.67798935e-04] [ 4.28722782e-04 4.79223246e-04 -5.67798935e-04] [-4.28722782e-04 4.79223246e-04 5.67798935e-04] [-5.67798935e-04 -4.79223246e-04 4.28722782e-04] [-5.67798935e-04 4.79223246e-04 4.28722781e-04] [ 5.67798935e-04 -4.79223246e-04 -4.28722781e-04] [ 5.67798935e-04 4.79223246e-04 -4.28722781e-04] [-1.77973245e-03 3.41534922e-15 -1.77973245e-03] [ 2.95570413e-04 -9.79901923e-16 -2.95570413e-04] [-2.95570413e-04 -9.80040701e-14 2.95570413e-04] [ 1.77973245e-03 -9.36663941e-15 1.77973245e-03] [ 4.28722782e-04 -4.79223246e-04 -5.67798935e-04] [-4.28722781e-04 -4.79223246e-04 5.67798935e-04] [ 4.28722782e-04 4.79223246e-04 -5.67798935e-04] [-4.28722781e-04 4.79223246e-04 5.67798935e-04]] Final stress: [-9.24597079e-05 2.69726953e-05 -9.24597079e-05 -5.82021245e-17 -1.05393764e-04 -5.32133710e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96279624e-04 -1.95010466e-04 6.81095805e-15] [-1.96279624e-04 1.95010466e-04 -4.40758541e-14] [-2.10091207e-04 1.62644375e-03 -2.72117398e-14] [ 2.10091207e-04 -1.62644375e-03 7.85482790e-15] [-1.15701719e-14 6.38378239e-15 1.86711953e-04] [ 1.59594560e-14 2.10942375e-14 -1.86711953e-04] [ 1.96279624e-04 -1.95010466e-04 4.23393058e-14] [-1.96279624e-04 1.95010466e-04 7.13055354e-15] [-2.10091207e-04 1.62644375e-03 1.52528411e-15] [ 2.10091207e-04 -1.62644375e-03 -2.49963180e-14] [ 7.88561924e-15 5.25663639e-15 1.86711953e-04] [ 1.18481613e-15 2.07461611e-14 -1.86711953e-04] [ 5.36071726e-04 -3.23882288e-04 1.32880987e-03] [-5.36071726e-04 3.23882288e-04 1.32880987e-03] [-4.29204202e-04 -4.26240591e-04 3.72266202e-04] [ 4.29204202e-04 4.26240591e-04 3.72266202e-04] [ 5.36071726e-04 -3.23882288e-04 -1.32880987e-03] [-5.36071726e-04 3.23882288e-04 -1.32880987e-03] [ 4.29204202e-04 4.26240591e-04 -3.72266202e-04] [-4.29204202e-04 -4.26240591e-04 -3.72266202e-04] [ 5.36071726e-04 -3.23882288e-04 1.32880987e-03] [-5.36071726e-04 3.23882288e-04 1.32880987e-03] [-4.29204202e-04 -4.26240591e-04 3.72266202e-04] [ 4.29204202e-04 4.26240591e-04 3.72266202e-04] [ 5.36071726e-04 -3.23882288e-04 -1.32880987e-03] [-5.36071726e-04 3.23882288e-04 -1.32880987e-03] [ 4.29204202e-04 4.26240591e-04 -3.72266202e-04] [-4.29204202e-04 -4.26240591e-04 -3.72266202e-04] [ 9.46742684e-14 -4.54913884e-14 1.41553436e-14] [-7.98714393e-14 3.94965536e-14 2.27918692e-14] [ 6.35871010e-04 5.34041020e-04 -4.25844615e-04] [-6.35871010e-04 -5.34041020e-04 -4.25844615e-04] [ 6.35871010e-04 5.34041020e-04 4.25844615e-04] [-6.35871010e-04 -5.34041021e-04 4.25844615e-04] [ 7.86388382e-04 6.28596312e-04 7.87030964e-04] [ 7.86388382e-04 6.28596312e-04 -7.87030964e-04] [-7.86388382e-04 -6.28596313e-04 7.87030964e-04] [-7.86388382e-04 -6.28596313e-04 -7.87030964e-04] [ 6.61159271e-04 1.62060005e-03 4.84057239e-14] [ 1.51145296e-03 -5.49858991e-04 3.99957845e-14] [-1.51145296e-03 5.49858991e-04 7.96879923e-14] [-6.61159271e-04 -1.62060005e-03 2.69055611e-15] [ 6.35871010e-04 5.34041021e-04 -4.25844616e-04] [-6.35871010e-04 -5.34041021e-04 -4.25844616e-04] [ 6.35871010e-04 5.34041021e-04 4.25844616e-04] [-6.35871010e-04 -5.34041021e-04 4.25844615e-04] [ 7.86388382e-04 6.28596312e-04 7.87030964e-04] [ 7.86388381e-04 6.28596312e-04 -7.87030964e-04] [-7.86388381e-04 -6.28596312e-04 7.87030965e-04] [-7.86388381e-04 -6.28596312e-04 -7.87030965e-04] [ 6.61159271e-04 1.62060005e-03 -3.78978705e-14] [ 1.51145296e-03 -5.49858991e-04 -5.65780536e-14] [-1.51145296e-03 5.49858992e-04 -9.97579501e-15] [-6.61159271e-04 -1.62060005e-03 -1.82367142e-14]] Final stress: [ 9.22708616e-05 -2.92557449e-05 9.21892469e-05 -4.48778790e-17 8.64314707e-17 1.05280356e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96279624e-04 1.95010466e-04 2.85730641e-14] [-1.96279624e-04 -1.95010466e-04 5.99242878e-14] [ 2.10091207e-04 1.62644375e-03 2.88597271e-14] [-2.10091207e-04 -1.62644375e-03 -7.71605002e-15] [-2.10395937e-14 -6.35776154e-16 1.86711953e-04] [-1.05471187e-14 1.09356968e-14 -1.86711953e-04] [ 1.96279624e-04 1.95010466e-04 2.97929182e-14] [-1.96279624e-04 -1.95010466e-04 2.70142867e-14] [ 2.10091207e-04 1.62644375e-03 -3.49263871e-14] [-2.10091207e-04 -1.62644375e-03 -5.70715571e-14] [ 1.53050315e-14 -3.30663918e-14 1.86711953e-04] [ 1.30091250e-14 -1.48522118e-14 -1.86711953e-04] [ 4.29204202e-04 -4.26240591e-04 -3.72266202e-04] [-4.29204202e-04 4.26240591e-04 -3.72266202e-04] [-5.36071726e-04 -3.23882288e-04 -1.32880987e-03] [ 5.36071726e-04 3.23882288e-04 -1.32880987e-03] [ 4.29204202e-04 -4.26240591e-04 3.72266202e-04] [-4.29204202e-04 4.26240591e-04 3.72266202e-04] [ 5.36071726e-04 3.23882288e-04 1.32880987e-03] [-5.36071726e-04 -3.23882288e-04 1.32880987e-03] [ 4.29204202e-04 -4.26240591e-04 -3.72266203e-04] [-4.29204202e-04 4.26240591e-04 -3.72266202e-04] [-5.36071726e-04 -3.23882288e-04 -1.32880987e-03] [ 5.36071726e-04 3.23882288e-04 -1.32880987e-03] [ 4.29204202e-04 -4.26240591e-04 3.72266202e-04] [-4.29204202e-04 4.26240591e-04 3.72266202e-04] [ 5.36071726e-04 3.23882288e-04 1.32880987e-03] [-5.36071726e-04 -3.23882288e-04 1.32880987e-03] [ 8.54871729e-14 -3.73590048e-14 1.26010313e-14] [ 2.98021156e-14 -1.08284350e-13 6.32424689e-14] [-6.35871010e-04 5.34041021e-04 -4.25844615e-04] [ 6.35871010e-04 -5.34041021e-04 -4.25844615e-04] [-6.35871010e-04 5.34041021e-04 4.25844615e-04] [ 6.35871010e-04 -5.34041021e-04 4.25844615e-04] [ 7.86388382e-04 -6.28596313e-04 7.87030964e-04] [ 7.86388382e-04 -6.28596313e-04 -7.87030964e-04] [-7.86388382e-04 6.28596312e-04 7.87030964e-04] [-7.86388382e-04 6.28596312e-04 -7.87030964e-04] [-1.51145296e-03 -5.49858991e-04 3.50830476e-14] [-6.61159271e-04 1.62060005e-03 -1.86899107e-14] [ 6.61159271e-04 -1.62060005e-03 3.03004150e-14] [ 1.51145296e-03 5.49858991e-04 8.17575174e-14] [-6.35871010e-04 5.34041021e-04 -4.25844616e-04] [ 6.35871010e-04 -5.34041021e-04 -4.25844615e-04] [-6.35871010e-04 5.34041021e-04 4.25844616e-04] [ 6.35871010e-04 -5.34041021e-04 4.25844616e-04] [ 7.86388382e-04 -6.28596312e-04 7.87030964e-04] [ 7.86388382e-04 -6.28596312e-04 -7.87030964e-04] [-7.86388381e-04 6.28596312e-04 7.87030964e-04] [-7.86388381e-04 6.28596312e-04 -7.87030964e-04] [-1.51145296e-03 -5.49858991e-04 -9.53250327e-15] [-6.61159270e-04 1.62060005e-03 -2.75060465e-14] [ 6.61159271e-04 -1.62060005e-03 -1.11663269e-14] [ 1.51145296e-03 5.49858991e-04 -5.41558985e-14]] Final stress: [ 9.22708616e-05 -2.92557449e-05 9.21892469e-05 6.64857467e-18 -5.98371720e-17 -1.05280356e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.94265299e-04 -2.34252967e-04 2.16133535e-14] [ 1.94265299e-04 2.34252967e-04 8.38218384e-15] [-2.20999579e-04 -1.51508076e-03 -3.12757632e-14] [ 2.20999580e-04 1.51508076e-03 1.20459198e-14] [-5.98045918e-15 -5.22364270e-14 -2.02347349e-04] [ 2.74225087e-14 3.32511796e-14 2.02347349e-04] [-1.94265299e-04 -2.34252967e-04 -4.27707920e-15] [ 1.94265299e-04 2.34252967e-04 1.69758954e-14] [-2.20999579e-04 -1.51508076e-03 2.01486498e-14] [ 2.20999579e-04 1.51508076e-03 2.86199732e-15] [-1.29236899e-14 -3.15683610e-15 -2.02347349e-04] [-6.48543719e-14 2.14908202e-14 2.02347349e-04] [-3.84842341e-04 4.48065936e-04 3.29889328e-04] [ 3.84842341e-04 -4.48065936e-04 3.29889328e-04] [ 5.19100402e-04 3.09682631e-04 1.24152872e-03] [-5.19100402e-04 -3.09682631e-04 1.24152872e-03] [-3.84842341e-04 4.48065936e-04 -3.29889328e-04] [ 3.84842341e-04 -4.48065936e-04 -3.29889328e-04] [-5.19100402e-04 -3.09682631e-04 -1.24152872e-03] [ 5.19100402e-04 3.09682631e-04 -1.24152872e-03] [-3.84842341e-04 4.48065936e-04 3.29889328e-04] [ 3.84842341e-04 -4.48065936e-04 3.29889328e-04] [ 5.19100402e-04 3.09682631e-04 1.24152872e-03] [-5.19100402e-04 -3.09682631e-04 1.24152872e-03] [-3.84842341e-04 4.48065937e-04 -3.29889328e-04] [ 3.84842341e-04 -4.48065937e-04 -3.29889328e-04] [-5.19100402e-04 -3.09682631e-04 -1.24152872e-03] [ 5.19100402e-04 3.09682631e-04 -1.24152872e-03] [ 8.89288643e-14 4.99600361e-14 1.43385304e-13] [ 3.33786818e-14 3.44947561e-14 9.58502103e-14] [ 5.36624668e-04 -4.64754307e-04 4.21275339e-04] [-5.36624668e-04 4.64754307e-04 4.21275339e-04] [ 5.36624668e-04 -4.64754307e-04 -4.21275339e-04] [-5.36624668e-04 4.64754307e-04 -4.21275340e-04] [-7.30493271e-04 5.43572349e-04 -7.29730359e-04] [-7.30493271e-04 5.43572349e-04 7.29730359e-04] [ 7.30493271e-04 -5.43572349e-04 -7.29730359e-04] [ 7.30493271e-04 -5.43572349e-04 7.29730360e-04] [ 1.43800909e-03 5.53948022e-04 -9.21485110e-14] [ 5.94690821e-04 -1.48115744e-03 9.01570485e-14] [-5.94690821e-04 1.48115744e-03 -1.67104178e-13] [-1.43800909e-03 -5.53948022e-04 -2.90427404e-14] [ 5.36624668e-04 -4.64754307e-04 4.21275340e-04] [-5.36624668e-04 4.64754307e-04 4.21275340e-04] [ 5.36624668e-04 -4.64754307e-04 -4.21275340e-04] [-5.36624668e-04 4.64754308e-04 -4.21275340e-04] [-7.30493271e-04 5.43572349e-04 -7.29730360e-04] [-7.30493271e-04 5.43572349e-04 7.29730360e-04] [ 7.30493271e-04 -5.43572349e-04 -7.29730360e-04] [ 7.30493270e-04 -5.43572349e-04 7.29730360e-04] [ 1.43800909e-03 5.53948023e-04 1.60105096e-13] [ 5.94690821e-04 -1.48115744e-03 -4.31983415e-15] [-5.94690821e-04 1.48115744e-03 9.23409061e-14] [-1.43800909e-03 -5.53948023e-04 7.64189059e-15]] Final stress: [-9.22495761e-05 2.59136387e-05 -9.23151706e-05 -1.71280538e-16 5.32133710e-17 1.05346850e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.94408357e-04 2.33996925e-04 4.92097682e-14] [ 1.94408357e-04 -2.33996925e-04 -2.13717932e-14] [ 2.20743045e-04 -1.51529974e-03 -1.52365100e-14] [-2.20743045e-04 1.51529974e-03 6.49202914e-14] [-1.87749122e-14 3.62166894e-14 -2.02491143e-04] [-4.88498131e-15 1.11854970e-14 2.02491143e-04] [-1.94408357e-04 2.33996925e-04 -3.76257017e-15] [ 1.94408357e-04 -2.33996925e-04 -9.51178424e-15] [ 2.20743045e-04 -1.51529974e-03 3.11318263e-14] [-2.20743045e-04 1.51529974e-03 -2.56855453e-14] [ 6.09855048e-14 -2.26393991e-14 -2.02491143e-04] [ 4.93741333e-14 -1.79908547e-14 2.02491143e-04] [-5.19084847e-04 3.09779201e-04 -1.24181009e-03] [ 5.19084847e-04 -3.09779201e-04 -1.24181009e-03] [ 3.84895270e-04 4.48095843e-04 -3.30132341e-04] [-3.84895270e-04 -4.48095843e-04 -3.30132341e-04] [-5.19084847e-04 3.09779201e-04 1.24181009e-03] [ 5.19084846e-04 -3.09779201e-04 1.24181009e-03] [-3.84895270e-04 -4.48095843e-04 3.30132341e-04] [ 3.84895270e-04 4.48095843e-04 3.30132341e-04] [-5.19084847e-04 3.09779201e-04 -1.24181009e-03] [ 5.19084847e-04 -3.09779201e-04 -1.24181009e-03] [ 3.84895270e-04 4.48095843e-04 -3.30132341e-04] [-3.84895270e-04 -4.48095843e-04 -3.30132341e-04] [-5.19084847e-04 3.09779201e-04 1.24181009e-03] [ 5.19084847e-04 -3.09779201e-04 1.24181009e-03] [-3.84895270e-04 -4.48095843e-04 3.30132341e-04] [ 3.84895270e-04 4.48095843e-04 3.30132341e-04] [-2.49522625e-14 1.17961196e-13 4.22439861e-14] [-2.12811539e-14 6.33440077e-14 -2.04922828e-13] [-5.36630690e-04 -4.65391268e-04 4.21961702e-04] [ 5.36630690e-04 4.65391268e-04 4.21961702e-04] [-5.36630690e-04 -4.65391268e-04 -4.21961702e-04] [ 5.36630690e-04 4.65391268e-04 -4.21961702e-04] [-7.30449490e-04 -5.43576915e-04 -7.29685635e-04] [-7.30449490e-04 -5.43576915e-04 7.29685635e-04] [ 7.30449490e-04 5.43576915e-04 -7.29685635e-04] [ 7.30449490e-04 5.43576915e-04 7.29685635e-04] [-5.94100306e-04 -1.48188580e-03 -1.67976744e-13] [-1.43879051e-03 5.53403535e-04 -6.31161789e-14] [ 1.43879051e-03 -5.53403535e-04 -1.95283026e-13] [ 5.94100306e-04 1.48188580e-03 -8.43075609e-14] [-5.36630690e-04 -4.65391269e-04 4.21961702e-04] [ 5.36630690e-04 4.65391269e-04 4.21961702e-04] [-5.36630690e-04 -4.65391268e-04 -4.21961702e-04] [ 5.36630690e-04 4.65391269e-04 -4.21961702e-04] [-7.30449490e-04 -5.43576915e-04 -7.29685635e-04] [-7.30449490e-04 -5.43576915e-04 7.29685635e-04] [ 7.30449490e-04 5.43576915e-04 -7.29685635e-04] [ 7.30449490e-04 5.43576915e-04 7.29685635e-04] [-5.94100306e-04 -1.48188580e-03 4.32150106e-15] [-1.43879051e-03 5.53403536e-04 9.00921861e-15] [ 1.43879051e-03 -5.53403536e-04 8.94641552e-14] [ 5.94100306e-04 1.48188580e-03 7.90383384e-15]] Final stress: [-9.22524622e-05 2.59179268e-05 -9.23180661e-05 5.48762888e-17 1.21393003e-16 -1.05349477e-04] Minimization converged after 24 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.86711953e-04 -6.33195753e-14 -9.42041584e-15] [-1.86711953e-04 -2.16771046e-14 -3.47222251e-14] [-1.63376257e-14 1.96279624e-04 -1.95010466e-04] [-5.41233725e-14 -1.96279624e-04 1.95010466e-04] [ 7.19650034e-15 -2.10091207e-04 1.62644375e-03] [-4.63240557e-14 2.10091207e-04 -1.62644375e-03] [ 1.86711953e-04 2.61674363e-14 3.01591411e-14] [-1.86711953e-04 1.14457055e-14 3.03984113e-14] [-3.47387050e-14 1.96279624e-04 -1.95010466e-04] [-2.14455190e-14 -1.96279624e-04 1.95010466e-04] [ 6.11056344e-16 -2.10091207e-04 1.62644375e-03] [-7.55515442e-15 2.10091207e-04 -1.62644375e-03] [ 1.32880987e-03 5.36071727e-04 -3.23882288e-04] [ 3.72266203e-04 -4.29204202e-04 -4.26240591e-04] [ 3.72266202e-04 4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 -5.36071726e-04 3.23882288e-04] [-3.72266203e-04 4.29204202e-04 4.26240591e-04] [-1.32880987e-03 -5.36071726e-04 3.23882288e-04] [-3.72266203e-04 -4.29204202e-04 -4.26240591e-04] [-1.32880987e-03 5.36071727e-04 -3.23882288e-04] [ 1.32880987e-03 5.36071727e-04 -3.23882288e-04] [ 3.72266203e-04 -4.29204202e-04 -4.26240591e-04] [ 3.72266203e-04 4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 -5.36071726e-04 3.23882288e-04] [-3.72266202e-04 4.29204202e-04 4.26240591e-04] [-1.32880987e-03 -5.36071726e-04 3.23882288e-04] [-3.72266202e-04 -4.29204202e-04 -4.26240591e-04] [-1.32880987e-03 5.36071727e-04 -3.23882288e-04] [ 5.73985304e-14 -1.01862963e-14 -1.29951605e-13] [ 7.61786467e-14 -1.35096193e-13 -1.78716612e-13] [ 1.01252340e-13 6.61159271e-04 1.62060005e-03] [ 6.40806852e-15 1.51145296e-03 -5.49858991e-04] [ 1.05852827e-13 -1.51145296e-03 5.49858991e-04] [ 1.06824272e-14 -6.61159271e-04 -1.62060005e-03] [-4.25844615e-04 6.35871010e-04 5.34041021e-04] [-4.25844615e-04 -6.35871010e-04 -5.34041021e-04] [ 4.25844615e-04 6.35871010e-04 5.34041021e-04] [ 4.25844615e-04 -6.35871010e-04 -5.34041021e-04] [ 7.87030964e-04 7.86388382e-04 6.28596313e-04] [-7.87030964e-04 7.86388382e-04 6.28596313e-04] [ 7.87030964e-04 -7.86388382e-04 -6.28596313e-04] [-7.87030964e-04 -7.86388382e-04 -6.28596313e-04] [ 8.53050269e-16 6.61159271e-04 1.62060005e-03] [ 3.63051603e-14 1.51145296e-03 -5.49858992e-04] [-8.00141203e-16 -1.51145296e-03 5.49858991e-04] [ 8.34401992e-15 -6.61159271e-04 -1.62060005e-03] [-4.25844616e-04 6.35871010e-04 5.34041021e-04] [-4.25844616e-04 -6.35871010e-04 -5.34041021e-04] [ 4.25844616e-04 6.35871010e-04 5.34041021e-04] [ 4.25844616e-04 -6.35871010e-04 -5.34041021e-04] [ 7.87030964e-04 7.86388382e-04 6.28596313e-04] [-7.87030964e-04 7.86388382e-04 6.28596313e-04] [ 7.87030964e-04 -7.86388382e-04 -6.28596313e-04] [-7.87030965e-04 -7.86388381e-04 -6.28596312e-04]] Final stress: [ 9.21892469e-05 9.22708616e-05 -2.92557449e-05 1.05280356e-04 5.81750284e-17 -1.66214367e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.86711953e-04 1.15055535e-15 9.56830101e-15] [-1.86711953e-04 3.34454686e-14 4.16611190e-14] [ 7.36823796e-15 1.96279624e-04 1.95010466e-04] [-2.10109707e-14 -1.96279624e-04 -1.95010466e-04] [-4.78003054e-15 2.10091206e-04 1.62644375e-03] [-1.67643677e-14 -2.10091206e-04 -1.62644375e-03] [ 1.86711953e-04 -3.43431880e-14 -2.01943580e-14] [-1.86711953e-04 -1.13945312e-14 -2.37699097e-14] [-3.44555114e-14 1.96279624e-04 1.95010466e-04] [-4.46591548e-14 -1.96279624e-04 -1.95010466e-04] [ 4.92366564e-14 2.10091206e-04 1.62644375e-03] [ 2.75010049e-14 -2.10091207e-04 -1.62644375e-03] [-3.72266202e-04 4.29204202e-04 -4.26240591e-04] [-1.32880987e-03 -5.36071726e-04 -3.23882288e-04] [-1.32880987e-03 5.36071726e-04 3.23882288e-04] [-3.72266203e-04 -4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 5.36071726e-04 3.23882288e-04] [ 3.72266202e-04 -4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 -5.36071726e-04 -3.23882288e-04] [ 3.72266202e-04 4.29204202e-04 -4.26240591e-04] [-3.72266202e-04 4.29204202e-04 -4.26240591e-04] [-1.32880987e-03 -5.36071726e-04 -3.23882288e-04] [-1.32880987e-03 5.36071726e-04 3.23882288e-04] [-3.72266203e-04 -4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 5.36071727e-04 3.23882288e-04] [ 3.72266203e-04 -4.29204202e-04 4.26240591e-04] [ 1.32880987e-03 -5.36071726e-04 -3.23882288e-04] [ 3.72266203e-04 4.29204202e-04 -4.26240591e-04] [-5.64825964e-14 8.02136135e-15 -1.12965193e-14] [ 1.66138804e-14 -8.97079474e-14 -8.62302275e-14] [ 1.08468790e-13 -1.51145296e-03 -5.49858991e-04] [ 4.00686428e-14 -6.61159271e-04 1.62060005e-03] [ 1.59854768e-13 6.61159271e-04 -1.62060005e-03] [ 7.28375693e-14 1.51145296e-03 5.49858991e-04] [-4.25844615e-04 -6.35871010e-04 5.34041021e-04] [-4.25844615e-04 6.35871010e-04 -5.34041020e-04] [ 4.25844615e-04 -6.35871010e-04 5.34041021e-04] [ 4.25844615e-04 6.35871010e-04 -5.34041021e-04] [ 7.87030964e-04 7.86388382e-04 -6.28596313e-04] [-7.87030964e-04 7.86388382e-04 -6.28596313e-04] [ 7.87030964e-04 -7.86388382e-04 6.28596313e-04] [-7.87030964e-04 -7.86388382e-04 6.28596313e-04] [-6.81052437e-14 -1.51145296e-03 -5.49858991e-04] [-5.82194883e-14 -6.61159271e-04 1.62060005e-03] [-4.80570445e-14 6.61159271e-04 -1.62060005e-03] [-4.98455444e-14 1.51145296e-03 5.49858991e-04] [-4.25844616e-04 -6.35871010e-04 5.34041021e-04] [-4.25844616e-04 6.35871010e-04 -5.34041021e-04] [ 4.25844615e-04 -6.35871010e-04 5.34041021e-04] [ 4.25844616e-04 6.35871010e-04 -5.34041021e-04] [ 7.87030964e-04 7.86388382e-04 -6.28596312e-04] [-7.87030964e-04 7.86388381e-04 -6.28596312e-04] [ 7.87030964e-04 -7.86388382e-04 6.28596312e-04] [-7.87030964e-04 -7.86388381e-04 6.28596312e-04]] Final stress: [ 9.21892469e-05 9.22708616e-05 -2.92557449e-05 -1.05280356e-04 -6.64857467e-18 -6.81478904e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.02591771e-04 -5.44937359e-14 -2.44630705e-14] [ 2.02591771e-04 -6.03128658e-14 -1.31006317e-14] [-2.73466146e-14 -1.94508469e-04 -2.33817746e-04] [-1.76525461e-14 1.94508469e-04 2.33817746e-04] [ 1.24249569e-14 -2.20563522e-04 -1.51545298e-03] [-3.60822483e-16 2.20563522e-04 1.51545298e-03] [-2.02591771e-04 2.56288046e-14 -2.01330539e-14] [ 2.02591771e-04 2.65052737e-14 -3.59451687e-15] [ 5.43272025e-15 -1.94508469e-04 -2.33817746e-04] [-7.95847763e-15 1.94508469e-04 2.33817746e-04] [-8.51749227e-16 -2.20563522e-04 -1.51545298e-03] [-4.59528249e-15 2.20563522e-04 1.51545298e-03] [ 3.30302402e-04 -3.84932309e-04 4.48116772e-04] [ 1.24200700e-03 5.19073961e-04 3.09846781e-04] [ 1.24200700e-03 -5.19073961e-04 -3.09846781e-04] [ 3.30302402e-04 3.84932309e-04 -4.48116772e-04] [-1.24200700e-03 -5.19073961e-04 -3.09846781e-04] [-3.30302402e-04 3.84932309e-04 -4.48116772e-04] [-1.24200700e-03 5.19073961e-04 3.09846781e-04] [-3.30302402e-04 -3.84932309e-04 4.48116772e-04] [ 3.30302402e-04 -3.84932309e-04 4.48116772e-04] [ 1.24200700e-03 5.19073961e-04 3.09846781e-04] [ 1.24200700e-03 -5.19073961e-04 -3.09846781e-04] [ 3.30302402e-04 3.84932309e-04 -4.48116772e-04] [-1.24200700e-03 -5.19073961e-04 -3.09846781e-04] [-3.30302402e-04 3.84932309e-04 -4.48116772e-04] [-1.24200700e-03 5.19073961e-04 3.09846781e-04] [-3.30302402e-04 -3.84932309e-04 4.48116772e-04] [ 9.11215547e-14 -1.75415238e-13 1.37306833e-13] [-6.02252623e-15 1.21127802e-13 -1.59965389e-13] [-9.47020240e-14 1.43933734e-03 5.53022504e-04] [-7.85933818e-14 5.93687063e-04 -1.48239551e-03] [-8.94388730e-14 -5.93687063e-04 1.48239551e-03] [-7.31498195e-14 -1.43933734e-03 -5.53022503e-04] [ 4.22442019e-04 5.36634904e-04 -4.65837014e-04] [ 4.22442019e-04 -5.36634904e-04 4.65837014e-04] [-4.22442019e-04 5.36634904e-04 -4.65837014e-04] [-4.22442019e-04 -5.36634904e-04 4.65837014e-04] [-7.29654336e-04 -7.30418851e-04 5.43580109e-04] [ 7.29654336e-04 -7.30418852e-04 5.43580109e-04] [-7.29654336e-04 7.30418851e-04 -5.43580109e-04] [ 7.29654336e-04 7.30418852e-04 -5.43580109e-04] [ 8.19990777e-14 1.43933734e-03 5.53022503e-04] [ 5.87819723e-14 5.93687063e-04 -1.48239551e-03] [ 1.21073290e-13 -5.93687063e-04 1.48239551e-03] [ 8.08788800e-14 -1.43933734e-03 -5.53022503e-04] [ 4.22442019e-04 5.36634904e-04 -4.65837014e-04] [ 4.22442019e-04 -5.36634904e-04 4.65837014e-04] [-4.22442019e-04 5.36634904e-04 -4.65837014e-04] [-4.22442018e-04 -5.36634904e-04 4.65837014e-04] [-7.29654336e-04 -7.30418852e-04 5.43580110e-04] [ 7.29654336e-04 -7.30418852e-04 5.43580110e-04] [-7.29654336e-04 7.30418852e-04 -5.43580109e-04] [ 7.29654336e-04 7.30418852e-04 -5.43580109e-04]] Final stress: [-9.23200924e-05 -9.22544819e-05 2.59209276e-05 1.05351316e-04 -1.66291784e-18 -1.66291784e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.02606142e-04 -3.41172403e-14 -6.91937826e-15] [ 2.02606142e-04 1.12410081e-14 2.28705943e-14] [-1.91322652e-14 -1.94522766e-04 2.33792157e-04] [-1.58206781e-15 1.94522766e-04 -2.33792157e-04] [-3.22155497e-14 2.20537883e-04 -1.51547486e-03] [-1.52378110e-14 -2.20537883e-04 1.51547486e-03] [-2.02606142e-04 2.83380090e-14 -1.24500058e-14] [ 2.02606142e-04 1.27055484e-14 -7.29283856e-14] [-8.30889177e-15 -1.94522767e-04 2.33792157e-04] [-4.80258194e-15 1.94522767e-04 -2.33792157e-04] [-1.48991063e-14 2.20537883e-04 -1.51547486e-03] [-3.82029477e-15 -2.20537883e-04 1.51547486e-03] [-1.24203512e-03 -5.19072406e-04 3.09856432e-04] [-3.30326689e-04 3.84937599e-04 4.48119761e-04] [-3.30326689e-04 -3.84937599e-04 -4.48119761e-04] [-1.24203512e-03 5.19072406e-04 -3.09856432e-04] [ 3.30326689e-04 -3.84937599e-04 -4.48119761e-04] [ 1.24203512e-03 5.19072406e-04 -3.09856432e-04] [ 3.30326689e-04 3.84937599e-04 4.48119761e-04] [ 1.24203512e-03 -5.19072406e-04 3.09856432e-04] [-1.24203512e-03 -5.19072406e-04 3.09856432e-04] [-3.30326689e-04 3.84937599e-04 4.48119761e-04] [-3.30326689e-04 -3.84937599e-04 -4.48119761e-04] [-1.24203512e-03 5.19072406e-04 -3.09856432e-04] [ 3.30326689e-04 -3.84937599e-04 -4.48119761e-04] [ 1.24203512e-03 5.19072406e-04 -3.09856432e-04] [ 3.30326689e-04 3.84937599e-04 4.48119761e-04] [ 1.24203512e-03 -5.19072406e-04 3.09856432e-04] [ 5.08482145e-14 -1.32893696e-13 1.81743509e-13] [ 8.69183198e-15 6.91335951e-14 -5.97052240e-14] [-1.45217172e-13 -5.93628046e-04 -1.48246830e-03] [-3.05987874e-14 -1.43941544e-03 5.52968086e-04] [ 1.05818132e-16 1.43941544e-03 -5.52968086e-04] [ 1.30277733e-15 5.93628046e-04 1.48246830e-03] [ 4.22510615e-04 -5.36635506e-04 -4.65900673e-04] [ 4.22510615e-04 5.36635506e-04 4.65900673e-04] [-4.22510615e-04 -5.36635506e-04 -4.65900673e-04] [-4.22510615e-04 5.36635506e-04 4.65900673e-04] [-7.29649866e-04 -7.30414476e-04 -5.43580565e-04] [ 7.29649866e-04 -7.30414476e-04 -5.43580566e-04] [-7.29649866e-04 7.30414476e-04 5.43580566e-04] [ 7.29649866e-04 7.30414476e-04 5.43580565e-04] [-1.35291084e-14 -5.93628046e-04 -1.48246830e-03] [ 4.87500665e-15 -1.43941544e-03 5.52968086e-04] [-3.42109154e-14 1.43941544e-03 -5.52968086e-04] [ 1.61355304e-14 5.93628046e-04 1.48246830e-03] [ 4.22510615e-04 -5.36635506e-04 -4.65900673e-04] [ 4.22510615e-04 5.36635506e-04 4.65900673e-04] [-4.22510615e-04 -5.36635506e-04 -4.65900673e-04] [-4.22510615e-04 5.36635506e-04 4.65900673e-04] [-7.29649866e-04 -7.30414476e-04 -5.43580565e-04] [ 7.29649866e-04 -7.30414476e-04 -5.43580566e-04] [-7.29649866e-04 7.30414476e-04 5.43580566e-04] [ 7.29649866e-04 7.30414476e-04 5.43580565e-04]] Final stress: [-9.23203818e-05 -9.22547703e-05 2.59213562e-05 -1.05351579e-04 1.16404249e-17 -4.82246175e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96279624e-04 -2.92951427e-15 -1.95010466e-04] [-1.96279624e-04 1.03528297e-14 1.95010466e-04] [-7.00091027e-15 1.86711953e-04 -4.10652415e-15] [-3.27793348e-14 -1.86711953e-04 2.10942375e-15] [-2.10091207e-04 -2.00178416e-14 1.62644375e-03] [ 2.10091206e-04 -2.77278200e-14 -1.62644375e-03] [ 1.96279624e-04 -7.40726924e-15 -1.95010466e-04] [-1.96279624e-04 -3.60371455e-14 1.95010466e-04] [-3.43197692e-14 1.86711953e-04 1.11669462e-14] [ 2.92604482e-15 -1.86711953e-04 2.56891884e-14] [-2.10091207e-04 2.11610978e-14 1.62644375e-03] [ 2.10091207e-04 8.99765033e-15 -1.62644375e-03] [ 5.36071727e-04 1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 3.72266203e-04 -4.26240591e-04] [-5.36071726e-04 1.32880987e-03 3.23882288e-04] [ 4.29204202e-04 3.72266203e-04 4.26240591e-04] [ 4.29204202e-04 -3.72266203e-04 4.26240591e-04] [-5.36071727e-04 -1.32880987e-03 3.23882288e-04] [ 5.36071727e-04 -1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 -3.72266203e-04 -4.26240591e-04] [ 5.36071727e-04 1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 3.72266203e-04 -4.26240591e-04] [-5.36071727e-04 1.32880987e-03 3.23882288e-04] [ 4.29204202e-04 3.72266203e-04 4.26240591e-04] [ 4.29204202e-04 -3.72266203e-04 4.26240591e-04] [-5.36071727e-04 -1.32880987e-03 3.23882288e-04] [ 5.36071727e-04 -1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 -3.72266202e-04 -4.26240591e-04] [ 2.43222109e-13 -4.37150316e-14 -5.16253706e-14] [-1.07735869e-13 -1.61311149e-14 7.18226870e-16] [ 6.35871010e-04 -4.25844616e-04 5.34041021e-04] [ 6.35871010e-04 4.25844615e-04 5.34041021e-04] [-6.35871010e-04 -4.25844616e-04 -5.34041021e-04] [-6.35871010e-04 4.25844616e-04 -5.34041021e-04] [ 6.61159271e-04 -3.00870440e-14 1.62060005e-03] [-1.51145296e-03 -1.21586768e-14 5.49858991e-04] [ 1.51145296e-03 -2.48412402e-15 -5.49858992e-04] [-6.61159271e-04 -4.33941078e-14 -1.62060005e-03] [ 7.86388382e-04 7.87030964e-04 6.28596313e-04] [-7.86388382e-04 7.87030964e-04 -6.28596313e-04] [ 7.86388382e-04 -7.87030964e-04 6.28596313e-04] [-7.86388382e-04 -7.87030964e-04 -6.28596313e-04] [ 6.35871010e-04 -4.25844616e-04 5.34041021e-04] [ 6.35871010e-04 4.25844615e-04 5.34041021e-04] [-6.35871010e-04 -4.25844616e-04 -5.34041021e-04] [-6.35871010e-04 4.25844615e-04 -5.34041021e-04] [ 6.61159271e-04 -4.64681376e-14 1.62060005e-03] [-1.51145296e-03 -1.21712536e-14 5.49858991e-04] [ 1.51145296e-03 -1.34024736e-14 -5.49858991e-04] [-6.61159271e-04 6.04160819e-15 -1.62060005e-03] [ 7.86388382e-04 7.87030964e-04 6.28596313e-04] [-7.86388382e-04 7.87030964e-04 -6.28596313e-04] [ 7.86388382e-04 -7.87030964e-04 6.28596313e-04] [-7.86388382e-04 -7.87030964e-04 -6.28596313e-04]] Final stress: [ 9.22708616e-05 9.21892469e-05 -2.92557449e-05 -1.32971493e-17 1.05280356e-04 1.49592930e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96279624e-04 -3.22398358e-15 1.95010466e-04] [-1.96279624e-04 -1.66533454e-16 -1.95010466e-04] [-3.76725560e-14 1.86711953e-04 -1.99827134e-14] [-1.21569421e-14 -1.86711953e-04 -7.85482790e-15] [ 2.10091207e-04 -1.84297022e-14 1.62644375e-03] [-2.10091206e-04 -8.54871729e-15 -1.62644375e-03] [ 1.96279624e-04 1.56198839e-14 1.95010466e-04] [-1.96279624e-04 -1.47182613e-14 -1.95010466e-04] [-3.41567052e-14 1.86711953e-04 7.31574521e-16] [-2.87920729e-15 -1.86711953e-04 -2.58006074e-14] [ 2.10091206e-04 -9.13399474e-15 1.62644375e-03] [-2.10091206e-04 1.61853422e-14 -1.62644375e-03] [ 4.29204202e-04 -3.72266203e-04 -4.26240591e-04] [-5.36071727e-04 -1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 -3.72266203e-04 4.26240591e-04] [ 5.36071726e-04 -1.32880987e-03 3.23882288e-04] [ 5.36071726e-04 1.32880987e-03 3.23882288e-04] [-4.29204202e-04 3.72266203e-04 4.26240591e-04] [ 4.29204202e-04 3.72266203e-04 -4.26240591e-04] [-5.36071726e-04 1.32880987e-03 -3.23882288e-04] [ 4.29204202e-04 -3.72266203e-04 -4.26240591e-04] [-5.36071726e-04 -1.32880987e-03 -3.23882288e-04] [-4.29204202e-04 -3.72266203e-04 4.26240591e-04] [ 5.36071727e-04 -1.32880987e-03 3.23882288e-04] [ 5.36071727e-04 1.32880987e-03 3.23882288e-04] [-4.29204202e-04 3.72266203e-04 4.26240591e-04] [ 4.29204202e-04 3.72266203e-04 -4.26240591e-04] [-5.36071726e-04 1.32880987e-03 -3.23882288e-04] [ 6.62525590e-14 -5.37070388e-14 0.00000000e+00] [-2.64432573e-14 4.54271233e-14 -9.88907004e-14] [-6.35871010e-04 -4.25844615e-04 5.34041021e-04] [-6.35871010e-04 4.25844616e-04 5.34041021e-04] [ 6.35871010e-04 -4.25844615e-04 -5.34041021e-04] [ 6.35871010e-04 4.25844616e-04 -5.34041021e-04] [-1.51145296e-03 -7.86037901e-14 -5.49858991e-04] [ 6.61159271e-04 2.11324014e-14 -1.62060005e-03] [-6.61159271e-04 -2.02147327e-14 1.62060005e-03] [ 1.51145296e-03 -6.32428138e-14 5.49858991e-04] [ 7.86388382e-04 7.87030964e-04 -6.28596313e-04] [-7.86388382e-04 7.87030964e-04 6.28596313e-04] [ 7.86388382e-04 -7.87030964e-04 -6.28596313e-04] [-7.86388382e-04 -7.87030964e-04 6.28596313e-04] [-6.35871010e-04 -4.25844616e-04 5.34041021e-04] [-6.35871010e-04 4.25844616e-04 5.34041021e-04] [ 6.35871010e-04 -4.25844616e-04 -5.34041021e-04] [ 6.35871010e-04 4.25844616e-04 -5.34041021e-04] [-1.51145296e-03 -2.03491522e-15 -5.49858992e-04] [ 6.61159271e-04 4.88845076e-15 -1.62060005e-03] [-6.61159271e-04 -2.27842918e-14 1.62060005e-03] [ 1.51145296e-03 -3.61420963e-14 5.49858991e-04] [ 7.86388382e-04 7.87030964e-04 -6.28596313e-04] [-7.86388382e-04 7.87030964e-04 6.28596313e-04] [ 7.86388382e-04 -7.87030964e-04 -6.28596313e-04] [-7.86388382e-04 -7.87030964e-04 6.28596313e-04]] Final stress: [ 9.22708616e-05 9.21892469e-05 -2.92557449e-05 3.49050170e-17 -1.05280356e-04 -6.81478904e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.94301064e-04 -2.43546502e-14 -2.34188956e-04] [ 1.94301064e-04 -3.91353616e-14 2.34188956e-04] [-1.66412023e-14 -2.02383298e-04 9.10512984e-15] [-2.85882429e-15 2.02383298e-04 3.42226247e-14] [-2.20935445e-04 -3.76478362e-14 -1.51513550e-03] [ 2.20935445e-04 -2.76723089e-14 1.51513550e-03] [-1.94301064e-04 1.88711893e-14 -2.34188956e-04] [ 1.94301064e-04 1.82974295e-14 2.34188956e-04] [-2.59939639e-14 -2.02383298e-04 4.04422668e-15] [-8.52096171e-15 2.02383298e-04 -1.95686424e-14] [-2.20935445e-04 -1.77562577e-14 -1.51513550e-03] [ 2.20935445e-04 1.37691422e-14 1.51513550e-03] [-3.84855573e-04 3.29950081e-04 4.48073413e-04] [ 5.19096513e-04 1.24159906e-03 3.09706774e-04] [ 3.84855573e-04 3.29950081e-04 -4.48073413e-04] [-5.19096513e-04 1.24159906e-03 -3.09706774e-04] [-5.19096513e-04 -1.24159906e-03 -3.09706774e-04] [ 3.84855573e-04 -3.29950081e-04 -4.48073413e-04] [-3.84855573e-04 -3.29950081e-04 4.48073413e-04] [ 5.19096513e-04 -1.24159906e-03 3.09706774e-04] [-3.84855573e-04 3.29950081e-04 4.48073413e-04] [ 5.19096513e-04 1.24159906e-03 3.09706774e-04] [ 3.84855573e-04 3.29950081e-04 -4.48073413e-04] [-5.19096513e-04 1.24159906e-03 -3.09706774e-04] [-5.19096513e-04 -1.24159906e-03 -3.09706774e-04] [ 3.84855573e-04 -3.29950081e-04 -4.48073413e-04] [-3.84855573e-04 -3.29950081e-04 4.48073413e-04] [ 5.19096513e-04 -1.24159906e-03 3.09706774e-04] [ 1.15324417e-13 6.43374243e-14 1.52350355e-13] [ 6.08848909e-14 -9.06393579e-14 -4.77289386e-14] [ 5.36626173e-04 4.21446931e-04 -4.64913548e-04] [ 5.36626173e-04 -4.21446931e-04 -4.64913548e-04] [-5.36626173e-04 4.21446931e-04 4.64913548e-04] [-5.36626173e-04 -4.21446931e-04 4.64913548e-04] [ 1.43820445e-03 -3.81916720e-14 5.53811900e-04] [-5.94543192e-04 -5.37677541e-14 1.48133953e-03] [ 5.94543191e-04 -8.27289626e-14 -1.48133953e-03] [-1.43820445e-03 -3.08416487e-14 -5.53811900e-04] [-7.30482326e-04 -7.29719178e-04 5.43573490e-04] [ 7.30482325e-04 -7.29719179e-04 -5.43573490e-04] [-7.30482326e-04 7.29719178e-04 5.43573490e-04] [ 7.30482325e-04 7.29719178e-04 -5.43573490e-04] [ 5.36626174e-04 4.21446931e-04 -4.64913548e-04] [ 5.36626174e-04 -4.21446931e-04 -4.64913548e-04] [-5.36626173e-04 4.21446931e-04 4.64913548e-04] [-5.36626173e-04 -4.21446931e-04 4.64913548e-04] [ 1.43820445e-03 1.57508546e-14 5.53811900e-04] [-5.94543191e-04 -5.22043346e-15 1.48133954e-03] [ 5.94543192e-04 3.65536594e-14 -1.48133953e-03] [-1.43820445e-03 -1.61927763e-14 -5.53811900e-04] [-7.30482326e-04 -7.29719178e-04 5.43573490e-04] [ 7.30482326e-04 -7.29719178e-04 -5.43573490e-04] [-7.30482326e-04 7.29719178e-04 5.43573490e-04] [ 7.30482326e-04 7.29719178e-04 -5.43573490e-04]] Final stress: [-9.22502976e-05 -9.23158945e-05 2.59147108e-05 -4.82246175e-17 1.05347507e-04 -7.64942208e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.94429807e-04 -6.68302219e-16 2.33958535e-04] [ 1.94429807e-04 8.82627305e-15 -2.33958535e-04] [ 5.68642355e-15 -2.02512703e-04 7.01869118e-15] [ 1.83464355e-14 2.02512703e-04 -1.30451205e-15] [ 2.20704581e-04 2.45918737e-14 -1.51533257e-03] [-2.20704581e-04 2.43138842e-14 1.51533257e-03] [-1.94429807e-04 3.17983487e-14 2.33958535e-04] [ 1.94429807e-04 1.20810480e-14 -2.33958535e-04] [ 1.31327241e-14 -2.02512703e-04 -2.89983306e-14] [ 3.68763180e-14 2.02512703e-04 -1.41178804e-14] [ 2.20704581e-04 4.28464881e-15 -1.51533257e-03] [-2.20704581e-04 -1.65949336e-14 1.51533257e-03] [-5.19082514e-04 -1.24185228e-03 3.09793680e-04] [ 3.84903206e-04 -3.30168777e-04 4.48100328e-04] [ 5.19082514e-04 -1.24185228e-03 -3.09793680e-04] [-3.84903206e-04 -3.30168777e-04 -4.48100328e-04] [-3.84903206e-04 3.30168777e-04 -4.48100328e-04] [ 5.19082514e-04 1.24185228e-03 -3.09793680e-04] [-5.19082514e-04 1.24185228e-03 3.09793680e-04] [ 3.84903206e-04 3.30168777e-04 4.48100328e-04] [-5.19082514e-04 -1.24185228e-03 3.09793680e-04] [ 3.84903206e-04 -3.30168777e-04 4.48100327e-04] [ 5.19082514e-04 -1.24185228e-03 -3.09793680e-04] [-3.84903206e-04 -3.30168777e-04 -4.48100328e-04] [-3.84903206e-04 3.30168777e-04 -4.48100328e-04] [ 5.19082514e-04 1.24185228e-03 -3.09793680e-04] [-5.19082514e-04 1.24185228e-03 3.09793680e-04] [ 3.84903206e-04 3.30168777e-04 4.48100327e-04] [ 4.22439861e-14 -2.82551760e-14 1.76220150e-13] [ 4.83606211e-14 -4.24246990e-14 -1.23142511e-13] [-5.36631593e-04 4.22064612e-04 -4.65486772e-04] [-5.36631593e-04 -4.22064612e-04 -4.65486772e-04] [ 5.36631593e-04 4.22064612e-04 4.65486771e-04] [ 5.36631593e-04 -4.22064612e-04 4.65486771e-04] [-5.94011767e-04 2.84217094e-14 -1.48199501e-03] [ 1.43890767e-03 2.84407914e-14 -5.53321898e-04] [-1.43890767e-03 1.94375765e-14 5.53321898e-04] [ 5.94011767e-04 -1.65319147e-15 1.48199501e-03] [-7.30442925e-04 -7.29678929e-04 -5.43577599e-04] [ 7.30442925e-04 -7.29678929e-04 5.43577599e-04] [-7.30442925e-04 7.29678929e-04 -5.43577599e-04] [ 7.30442925e-04 7.29678929e-04 5.43577599e-04] [-5.36631593e-04 4.22064612e-04 -4.65486771e-04] [-5.36631593e-04 -4.22064612e-04 -4.65486771e-04] [ 5.36631593e-04 4.22064612e-04 4.65486771e-04] [ 5.36631593e-04 -4.22064612e-04 4.65486771e-04] [-5.94011767e-04 -7.00894135e-14 -1.48199501e-03] [ 1.43890767e-03 -3.51255483e-14 -5.53321898e-04] [-1.43890767e-03 -4.84833527e-14 5.53321898e-04] [ 5.94011766e-04 3.55778774e-14 1.48199501e-03] [-7.30442926e-04 -7.29678929e-04 -5.43577599e-04] [ 7.30442926e-04 -7.29678929e-04 5.43577599e-04] [-7.30442926e-04 7.29678929e-04 -5.43577599e-04] [ 7.30442926e-04 7.29678929e-04 5.43577599e-04]] Final stress: [-9.22528949e-05 -9.23185002e-05 2.59185698e-05 1.99550141e-17 -1.05349871e-04 8.31458922e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96819280e-04 -2.18600182e-04 1.95403589e-14] [-1.96819280e-04 2.18600182e-04 1.01862963e-14] [-2.18600182e-04 1.96819280e-04 -1.99879176e-14] [ 2.18600182e-04 -1.96819280e-04 2.00117700e-14] [-3.40743059e-15 -2.89577390e-14 1.59920404e-03] [-2.56183963e-14 -2.27873276e-14 -1.59920404e-03] [ 1.96819280e-04 -2.18600182e-04 1.00422241e-14] [-1.96819280e-04 2.18600182e-04 -5.17717442e-14] [-2.18600182e-04 1.96819280e-04 -4.85532763e-15] [ 2.18600182e-04 -1.96819280e-04 -3.83298230e-14] [ 4.56969532e-15 -4.16155090e-15 1.59920404e-03] [ 3.81756259e-14 2.41728974e-14 -1.59920404e-03] [ 5.35802917e-04 5.35802917e-04 4.61851449e-04] [-5.35802917e-04 -5.35802917e-04 4.61851449e-04] [-4.18262235e-04 4.18262235e-04 1.21652128e-03] [ 4.18262235e-04 -4.18262235e-04 1.21652128e-03] [ 5.35802917e-04 5.35802917e-04 -4.61851449e-04] [-5.35802917e-04 -5.35802917e-04 -4.61851449e-04] [ 4.18262235e-04 -4.18262235e-04 -1.21652128e-03] [-4.18262235e-04 4.18262235e-04 -1.21652128e-03] [ 5.35802917e-04 5.35802917e-04 4.61851449e-04] [-5.35802917e-04 -5.35802917e-04 4.61851449e-04] [-4.18262235e-04 4.18262235e-04 1.21652128e-03] [ 4.18262235e-04 -4.18262235e-04 1.21652128e-03] [ 5.35802917e-04 5.35802917e-04 -4.61851449e-04] [-5.35802917e-04 -5.35802917e-04 -4.61851449e-04] [ 4.18262235e-04 -4.18262235e-04 -1.21652128e-03] [-4.18262235e-04 4.18262235e-04 -1.21652128e-03] [-6.96942504e-14 -1.85795823e-13 1.14325216e-13] [-2.17855248e-14 1.39577616e-14 4.02448708e-14] [ 6.14837250e-04 -4.19622562e-04 5.22784927e-04] [-6.14837250e-04 4.19622562e-04 5.22784927e-04] [ 6.14837250e-04 -4.19622562e-04 -5.22784927e-04] [-6.14837250e-04 4.19622562e-04 -5.22784927e-04] [-4.19622562e-04 6.14837250e-04 5.22784926e-04] [-4.19622562e-04 6.14837250e-04 -5.22784927e-04] [ 4.19622562e-04 -6.14837250e-04 5.22784926e-04] [ 4.19622562e-04 -6.14837250e-04 -5.22784926e-04] [ 1.85109191e-03 1.85109191e-03 1.22235555e-13] [ 2.91577244e-04 -2.91577244e-04 4.43482057e-14] [-2.91577244e-04 2.91577244e-04 1.20204194e-13] [-1.85109191e-03 -1.85109191e-03 -1.14314808e-13] [ 6.14837250e-04 -4.19622562e-04 5.22784927e-04] [-6.14837250e-04 4.19622562e-04 5.22784926e-04] [ 6.14837250e-04 -4.19622562e-04 -5.22784927e-04] [-6.14837250e-04 4.19622562e-04 -5.22784927e-04] [-4.19622562e-04 6.14837250e-04 5.22784927e-04] [-4.19622562e-04 6.14837250e-04 -5.22784927e-04] [ 4.19622562e-04 -6.14837250e-04 5.22784926e-04] [ 4.19622562e-04 -6.14837250e-04 -5.22784927e-04] [ 1.85109191e-03 1.85109191e-03 -5.54881661e-14] [ 2.91577244e-04 -2.91577244e-04 1.88129846e-14] [-2.91577244e-04 2.91577244e-04 -3.75817914e-14] [-1.85109191e-03 -1.85109191e-03 5.06387467e-14]] Final stress: [ 9.21283408e-05 9.21283408e-05 -2.86658643e-05 -9.97286200e-18 9.97286200e-17 1.05258881e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.96758090e-04 2.18702047e-04 -1.55778168e-15] [-1.96758090e-04 -2.18702047e-04 -5.41233725e-15] [ 2.18702047e-04 1.96758090e-04 -1.41852675e-14] [-2.18702047e-04 -1.96758089e-04 1.41275880e-14] [ 3.39919065e-15 -3.70103254e-15 1.59911109e-03] [-2.08166817e-14 -4.34929870e-14 -1.59911109e-03] [ 1.96758090e-04 2.18702047e-04 -9.77860211e-16] [-1.96758090e-04 -2.18702047e-04 4.08707266e-15] [ 2.18702047e-04 1.96758089e-04 1.09904137e-14] [-2.18702047e-04 -1.96758090e-04 1.75779726e-14] [-1.82523267e-14 -9.66533531e-15 1.59911109e-03] [-1.26812623e-14 -1.34972662e-14 -1.59911109e-03] [ 4.18241560e-04 4.18241560e-04 -1.21638778e-03] [-4.18241560e-04 -4.18241560e-04 -1.21638778e-03] [-5.35806638e-04 5.35806638e-04 -4.61768810e-04] [ 5.35806638e-04 -5.35806638e-04 -4.61768810e-04] [ 4.18241560e-04 4.18241560e-04 1.21638778e-03] [-4.18241560e-04 -4.18241560e-04 1.21638778e-03] [ 5.35806638e-04 -5.35806638e-04 4.61768810e-04] [-5.35806638e-04 5.35806638e-04 4.61768810e-04] [ 4.18241560e-04 4.18241560e-04 -1.21638778e-03] [-4.18241560e-04 -4.18241560e-04 -1.21638778e-03] [-5.35806638e-04 5.35806638e-04 -4.61768810e-04] [ 5.35806638e-04 -5.35806638e-04 -4.61768810e-04] [ 4.18241560e-04 4.18241560e-04 1.21638778e-03] [-4.18241560e-04 -4.18241560e-04 1.21638778e-03] [ 5.35806638e-04 -5.35806638e-04 4.61768810e-04] [-5.35806638e-04 5.35806638e-04 4.61768810e-04] [-3.44169138e-15 -1.92096339e-13 6.60860255e-14] [-4.05855904e-14 2.25197101e-14 -5.50358754e-14] [-6.14835653e-04 -4.19343823e-04 5.22523843e-04] [ 6.14835653e-04 4.19343823e-04 5.22523843e-04] [-6.14835653e-04 -4.19343823e-04 -5.22523843e-04] [ 6.14835653e-04 4.19343823e-04 -5.22523843e-04] [-4.19343823e-04 -6.14835653e-04 5.22523843e-04] [-4.19343822e-04 -6.14835653e-04 -5.22523843e-04] [ 4.19343822e-04 6.14835653e-04 5.22523842e-04] [ 4.19343822e-04 6.14835653e-04 -5.22523843e-04] [-2.91520766e-04 -2.91520765e-04 -8.82627305e-14] [-1.85106567e-03 1.85106568e-03 3.98986399e-17] [ 1.85106568e-03 -1.85106567e-03 1.92883903e-14] [ 2.91520765e-04 2.91520765e-04 7.68430458e-14] [-6.14835653e-04 -4.19343822e-04 5.22523843e-04] [ 6.14835653e-04 4.19343822e-04 5.22523842e-04] [-6.14835653e-04 -4.19343823e-04 -5.22523843e-04] [ 6.14835653e-04 4.19343822e-04 -5.22523842e-04] [-4.19343823e-04 -6.14835653e-04 5.22523843e-04] [-4.19343823e-04 -6.14835653e-04 -5.22523843e-04] [ 4.19343823e-04 6.14835653e-04 5.22523843e-04] [ 4.19343823e-04 6.14835653e-04 -5.22523843e-04] [-2.91520765e-04 -2.91520766e-04 3.44351061e-14] [-1.85106568e-03 1.85106567e-03 -1.04723291e-14] [ 1.85106568e-03 -1.85106567e-03 -2.93535270e-14] [ 2.91520765e-04 2.91520766e-04 -6.28789555e-14]] Final stress: [ 9.21271604e-05 9.21271604e-05 -2.86640307e-05 -2.82564423e-17 8.31071834e-18 -1.05257836e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.91418692e-04 -2.11132668e-04 1.18008901e-14] [ 1.91418692e-04 2.11132668e-04 2.04836148e-14] [-2.11132668e-04 -1.91418692e-04 4.74533607e-15] [ 2.11132668e-04 1.91418692e-04 -4.80449014e-14] [ 1.60860908e-14 2.99309189e-14 -1.54646275e-03] [ 7.82707232e-15 3.03645997e-14 1.54646275e-03] [-1.91418692e-04 -2.11132668e-04 7.19248653e-18] [ 1.91418692e-04 2.11132668e-04 -2.06095509e-14] [-2.11132668e-04 -1.91418692e-04 -2.94443004e-14] [ 2.11132668e-04 1.91418692e-04 -1.22418891e-14] [-6.06329223e-15 -3.11966268e-15 -1.54646275e-03] [ 3.22658567e-15 -2.56931586e-14 1.54646275e-03] [-3.99329395e-04 -3.99329395e-04 1.17926620e-03] [ 3.99329395e-04 3.99329395e-04 1.17926620e-03] [ 5.19997265e-04 -5.19997265e-04 4.23689617e-04] [-5.19997265e-04 5.19997265e-04 4.23689617e-04] [-3.99329395e-04 -3.99329395e-04 -1.17926620e-03] [ 3.99329395e-04 3.99329395e-04 -1.17926620e-03] [-5.19997264e-04 5.19997265e-04 -4.23689617e-04] [ 5.19997265e-04 -5.19997265e-04 -4.23689617e-04] [-3.99329395e-04 -3.99329395e-04 1.17926620e-03] [ 3.99329395e-04 3.99329395e-04 1.17926620e-03] [ 5.19997264e-04 -5.19997265e-04 4.23689616e-04] [-5.19997265e-04 5.19997265e-04 4.23689617e-04] [-3.99329395e-04 -3.99329395e-04 -1.17926620e-03] [ 3.99329395e-04 3.99329395e-04 -1.17926620e-03] [-5.19997265e-04 5.19997265e-04 -4.23689617e-04] [ 5.19997265e-04 -5.19997265e-04 -4.23689616e-04] [ 2.30981900e-13 5.96744876e-15 6.65578703e-14] [-2.90881902e-13 -4.85814035e-14 -8.90949073e-14] [ 5.63022680e-04 4.27614694e-04 -4.76748949e-04] [-5.63022681e-04 -4.27614694e-04 -4.76748949e-04] [ 5.63022680e-04 4.27614694e-04 4.76748949e-04] [-5.63022680e-04 -4.27614694e-04 4.76748949e-04] [ 4.27614694e-04 5.63022681e-04 -4.76748949e-04] [ 4.27614694e-04 5.63022681e-04 4.76748949e-04] [-4.27614694e-04 -5.63022681e-04 -4.76748949e-04] [-4.27614694e-04 -5.63022681e-04 4.76748949e-04] [ 2.94441797e-04 2.94441797e-04 8.40438830e-14] [ 1.77339844e-03 -1.77339844e-03 1.63775243e-14] [-1.77339844e-03 1.77339844e-03 1.30536207e-13] [-2.94441797e-04 -2.94441796e-04 3.27585181e-14] [ 5.63022681e-04 4.27614694e-04 -4.76748949e-04] [-5.63022680e-04 -4.27614694e-04 -4.76748949e-04] [ 5.63022681e-04 4.27614694e-04 4.76748949e-04] [-5.63022680e-04 -4.27614694e-04 4.76748949e-04] [ 4.27614694e-04 5.63022680e-04 -4.76748949e-04] [ 4.27614694e-04 5.63022681e-04 4.76748949e-04] [-4.27614695e-04 -5.63022681e-04 -4.76748949e-04] [-4.27614694e-04 -5.63022681e-04 4.76748949e-04] [ 2.94441797e-04 2.94441797e-04 2.27379782e-14] [ 1.77339844e-03 -1.77339844e-03 6.59536512e-14] [-1.77339844e-03 1.77339844e-03 -3.79625666e-14] [-2.94441796e-04 -2.94441797e-04 -3.15290329e-14]] Final stress: [-9.24181620e-05 -9.24181620e-05 2.67524704e-05 6.81796316e-17 2.82696033e-17 1.05383293e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.89738854e-04 2.11430793e-04 -2.76480228e-14] [ 1.89738854e-04 -2.11430793e-04 4.13558077e-15] [ 2.11430793e-04 -1.89738854e-04 1.56992475e-15] [-2.11430793e-04 1.89738854e-04 8.99280650e-15] [-1.00297375e-14 1.92658389e-14 -1.55190782e-03] [-2.74780199e-15 -1.14352972e-14 1.55190782e-03] [-1.89738854e-04 2.11430793e-04 -3.28145467e-15] [ 1.89738854e-04 -2.11430793e-04 9.21148670e-15] [ 2.11430793e-04 -1.89738854e-04 -9.36044949e-15] [-2.11430793e-04 1.89738854e-04 1.09641138e-14] [ 1.52369437e-14 -3.33406218e-15 -1.55190782e-03] [ 8.89262622e-15 2.37974510e-15 1.55190782e-03] [-5.21311503e-04 -5.21311503e-04 -4.26466613e-04] [ 5.21311503e-04 5.21311503e-04 -4.26466613e-04] [ 4.02486966e-04 -4.02486966e-04 -1.18277996e-03] [-4.02486966e-04 4.02486966e-04 -1.18277996e-03] [-5.21311503e-04 -5.21311503e-04 4.26466613e-04] [ 5.21311503e-04 5.21311503e-04 4.26466613e-04] [-4.02486966e-04 4.02486966e-04 1.18277996e-03] [ 4.02486966e-04 -4.02486966e-04 1.18277996e-03] [-5.21311503e-04 -5.21311503e-04 -4.26466613e-04] [ 5.21311503e-04 5.21311503e-04 -4.26466613e-04] [ 4.02486966e-04 -4.02486966e-04 -1.18277996e-03] [-4.02486966e-04 4.02486966e-04 -1.18277996e-03] [-5.21311503e-04 -5.21311503e-04 4.26466613e-04] [ 5.21311503e-04 5.21311503e-04 4.26466613e-04] [-4.02486966e-04 4.02486966e-04 1.18277996e-03] [ 4.02486966e-04 -4.02486966e-04 1.18277996e-03] [ 3.51940699e-14 -9.52571355e-14 1.10578213e-13] [-5.21952273e-14 -6.08994408e-14 -1.58537204e-13] [-5.69073206e-04 4.23606875e-04 -4.74874376e-04] [ 5.69073206e-04 -4.23606875e-04 -4.74874375e-04] [-5.69073206e-04 4.23606875e-04 4.74874375e-04] [ 5.69073206e-04 -4.23606875e-04 4.74874375e-04] [ 4.23606875e-04 -5.69073206e-04 -4.74874375e-04] [ 4.23606875e-04 -5.69073206e-04 4.74874375e-04] [-4.23606875e-04 5.69073206e-04 -4.74874376e-04] [-4.23606875e-04 5.69073206e-04 4.74874376e-04] [-1.78102369e-03 -1.78102369e-03 -3.39728246e-14] [-2.94760703e-04 2.94760703e-04 -8.45538917e-14] [ 2.94760703e-04 -2.94760703e-04 -1.14604506e-13] [ 1.78102369e-03 1.78102369e-03 -9.78262610e-14] [-5.69073206e-04 4.23606875e-04 -4.74874375e-04] [ 5.69073206e-04 -4.23606875e-04 -4.74874376e-04] [-5.69073206e-04 4.23606875e-04 4.74874376e-04] [ 5.69073206e-04 -4.23606875e-04 4.74874376e-04] [ 4.23606875e-04 -5.69073206e-04 -4.74874375e-04] [ 4.23606875e-04 -5.69073206e-04 4.74874376e-04] [-4.23606875e-04 5.69073206e-04 -4.74874375e-04] [-4.23606875e-04 5.69073206e-04 4.74874375e-04] [-1.78102369e-03 -1.78102369e-03 4.05206665e-14] [-2.94760703e-04 2.94760703e-04 -9.99317680e-14] [ 2.94760703e-04 -2.94760703e-04 1.00663401e-13] [ 1.78102369e-03 1.78102369e-03 2.65742289e-14]] Final stress: [-9.24480016e-05 -9.24480016e-05 2.69980940e-05 -3.99100282e-17 1.82920963e-17 -1.05375876e-04] Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 27 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.22968602e-03 -2.38147176e-14 -3.88426270e-14] [-2.22968602e-03 -7.29971639e-15 -1.10189635e-13] [-6.91920479e-14 2.22968602e-03 -8.39567131e-14] [-5.82867088e-15 -2.22968602e-03 -1.13520304e-13] [ 3.97208308e-14 -1.23307180e-13 6.07285386e-04] [-1.38777878e-14 -9.73388037e-14 -6.07285386e-04] [ 2.22968602e-03 8.52265307e-14 8.33791617e-14] [-2.22968602e-03 3.49134784e-14 6.53300452e-15] [ 8.37745671e-14 2.22968602e-03 2.75840846e-14] [ 7.34668403e-14 -2.22968602e-03 1.33285202e-15] [-2.64458594e-15 -9.79680015e-14 6.07285386e-04] [ 3.90065584e-14 1.10343540e-13 -6.07285386e-04] [ 2.47626818e-05 2.47626818e-05 9.06333454e-04] [-2.47626820e-05 -2.47626817e-05 9.06333454e-04] [-2.47626817e-05 2.47626817e-05 -9.06333454e-04] [ 2.47626816e-05 -2.47626817e-05 -9.06333454e-04] [ 2.47626817e-05 2.47626819e-05 -9.06333454e-04] [-2.47626818e-05 -2.47626818e-05 -9.06333454e-04] [ 2.47626817e-05 -2.47626817e-05 9.06333454e-04] [-2.47626817e-05 2.47626818e-05 9.06333454e-04] [ 2.47626815e-05 2.47626822e-05 9.06333454e-04] [-2.47626818e-05 -2.47626817e-05 9.06333454e-04] [-2.47626816e-05 2.47626821e-05 -9.06333454e-04] [ 2.47626815e-05 -2.47626817e-05 -9.06333454e-04] [ 2.47626815e-05 2.47626819e-05 -9.06333454e-04] [-2.47626818e-05 -2.47626818e-05 -9.06333454e-04] [ 2.47626816e-05 -2.47626816e-05 9.06333454e-04] [-2.47626817e-05 2.47626819e-05 9.06333454e-04] [ 2.07917017e-13 -4.59576821e-13 -1.05859765e-13] [ 1.65483079e-13 -2.74823133e-13 -1.07968198e-13] [-6.37268016e-14 6.64097206e-04 -1.02949302e-04] [ 6.68076705e-14 -6.64097206e-04 -1.02949303e-04] [-6.24483104e-14 6.64097206e-04 1.02949302e-04] [ 1.16046062e-13 -6.64097206e-04 1.02949303e-04] [ 6.64097205e-04 -4.28435065e-13 -1.02949301e-04] [ 6.64097205e-04 -5.45518491e-14 1.02949301e-04] [-6.64097206e-04 -6.22004184e-13 -1.02949302e-04] [-6.64097206e-04 -4.34515271e-13 1.02949302e-04] [-3.16241387e-04 -3.16241388e-04 5.00932629e-13] [ 3.16241388e-04 -3.16241388e-04 3.19543003e-13] [-3.16241388e-04 3.16241388e-04 -1.92363486e-14] [ 3.16241388e-04 3.16241388e-04 -1.04499742e-14] [ 7.71327446e-14 6.64097206e-04 -1.02949302e-04] [-1.15354774e-14 -6.64097206e-04 -1.02949302e-04] [ 2.79954879e-13 6.64097206e-04 1.02949302e-04] [-1.05907470e-13 -6.64097205e-04 1.02949301e-04] [ 6.64097206e-04 1.40094140e-14 -1.02949302e-04] [ 6.64097206e-04 -7.96608873e-14 1.02949302e-04] [-6.64097206e-04 9.75868691e-14 -1.02949303e-04] [-6.64097206e-04 -2.45602150e-14 1.02949302e-04] [-3.16241388e-04 -3.16241387e-04 1.44094002e-13] [ 3.16241389e-04 -3.16241387e-04 -1.18669079e-14] [-3.16241388e-04 3.16241388e-04 3.33239058e-14] [ 3.16241388e-04 3.16241387e-04 2.27801718e-13]] Final stress: [ 3.35390605e-05 3.35390605e-05 1.40584599e-04 -1.76176963e-16 2.36010649e-16 -1.11357137e-16] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.07955846e-03 -5.36901253e-14 1.29262920e-14] [ 1.07955846e-03 -5.85642645e-15 1.52378110e-14] [ 2.81406842e-14 -1.07955846e-03 -4.21104124e-14] [-4.92661467e-14 1.07955846e-03 -2.36755060e-14] [ 1.21205129e-14 -8.33283095e-14 4.32700492e-06] [-2.32314168e-14 -2.12607709e-14 -4.32700506e-06] [-1.07955846e-03 5.98483936e-14 1.92595590e-14] [ 1.07955846e-03 3.14305873e-14 1.09953053e-14] [-1.86990180e-14 -1.07955846e-03 -2.18449054e-14] [-1.25858525e-14 1.07955846e-03 -4.98609961e-14] [-3.27442067e-14 8.93975058e-15 4.32700500e-06] [ 1.08897266e-15 2.75103776e-14 -4.32700500e-06] [-5.81219106e-05 -5.81219106e-05 -6.03366266e-04] [ 5.81219106e-05 5.81219105e-05 -6.03366265e-04] [ 5.81219107e-05 -5.81219107e-05 6.03366265e-04] [-5.81219107e-05 5.81219106e-05 6.03366265e-04] [-5.81219107e-05 -5.81219106e-05 6.03366265e-04] [ 5.81219106e-05 5.81219105e-05 6.03366265e-04] [-5.81219106e-05 5.81219106e-05 -6.03366265e-04] [ 5.81219106e-05 -5.81219107e-05 -6.03366266e-04] [-5.81219106e-05 -5.81219106e-05 -6.03366265e-04] [ 5.81219107e-05 5.81219106e-05 -6.03366266e-04] [ 5.81219106e-05 -5.81219105e-05 6.03366265e-04] [-5.81219108e-05 5.81219106e-05 6.03366265e-04] [-5.81219105e-05 -5.81219105e-05 6.03366265e-04] [ 5.81219107e-05 5.81219106e-05 6.03366265e-04] [-5.81219106e-05 5.81219107e-05 -6.03366265e-04] [ 5.81219107e-05 -5.81219106e-05 -6.03366265e-04] [-2.79498646e-14 -1.92873495e-13 7.23587856e-14] [ 1.09070739e-14 1.57132316e-13 -6.78082512e-14] [-6.63913369e-14 -4.31329918e-04 -2.30818404e-04] [ 6.09338968e-14 4.31329918e-04 -2.30818404e-04] [-1.20990024e-13 -4.31329918e-04 2.30818404e-04] [ 4.97935027e-14 4.31329918e-04 2.30818404e-04] [-4.31329917e-04 7.16093851e-14 -2.30818405e-04] [-4.31329917e-04 1.86021337e-13 2.30818405e-04] [ 4.31329917e-04 2.22460939e-14 -2.30818405e-04] [ 4.31329917e-04 8.16950674e-14 2.30818405e-04] [ 1.14051261e-04 1.14051262e-04 7.37188088e-14] [-1.14051261e-04 1.14051262e-04 1.32257053e-13] [ 1.14051261e-04 -1.14051262e-04 4.15258106e-14] [-1.14051261e-04 -1.14051262e-04 1.14833490e-13] [-7.59986692e-14 -4.31329917e-04 -2.30818405e-04] [-4.82808238e-14 4.31329917e-04 -2.30818405e-04] [ 1.92648415e-13 -4.31329917e-04 2.30818405e-04] [ 3.62323019e-14 4.31329917e-04 2.30818405e-04] [-4.31329918e-04 -1.37848078e-13 -2.30818405e-04] [-4.31329918e-04 -7.90155701e-14 2.30818404e-04] [ 4.31329918e-04 2.23774992e-14 -2.30818404e-04] [ 4.31329918e-04 1.08927624e-13 2.30818404e-04] [ 1.14051262e-04 1.14051261e-04 2.21198119e-13] [-1.14051262e-04 1.14051261e-04 1.22766577e-13] [ 1.14051262e-04 -1.14051261e-04 8.74088806e-14] [-1.14051262e-04 -1.14051261e-04 5.17728221e-14]] Final stress: [-4.37657836e-05 -4.37657836e-05 -1.20282825e-04 -1.04769916e-16 -4.15753635e-17 -4.32383781e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 2.23528337e-03 2.77070034e-14 9.16658242e-14] [-2.23528337e-03 3.61377595e-14 2.12718732e-13] [-4.27739441e-14 6.17493282e-04 1.19074021e-13] [ 5.65658631e-14 -6.17493282e-04 2.02837747e-13] [ 1.70286528e-13 7.10495031e-14 2.23528337e-03] [ 5.40678613e-14 2.31759056e-14 -2.23528337e-03] [ 2.23528337e-03 -5.34502997e-14 -1.11268516e-13] [-2.23528337e-03 4.00044581e-14 -2.16316539e-14] [ 1.36000152e-13 6.17493282e-04 -7.15413698e-14] [ 8.24965096e-14 -6.17493282e-04 -1.04995291e-13] [-7.99273842e-15 -4.18077482e-14 2.23528337e-03] [ 3.89853080e-14 2.27701154e-14 -2.23528337e-03] [ 2.22781098e-05 9.03536893e-04 2.22781100e-05] [-2.22781098e-05 -9.03536893e-04 2.22781097e-05] [-2.22781099e-05 9.03536893e-04 -2.22781097e-05] [ 2.22781096e-05 -9.03536893e-04 -2.22781095e-05] [ 2.22781098e-05 9.03536893e-04 -2.22781096e-05] [-2.22781099e-05 -9.03536892e-04 -2.22781095e-05] [ 2.22781096e-05 -9.03536893e-04 2.22781097e-05] [-2.22781099e-05 9.03536893e-04 2.22781098e-05] [ 2.22781093e-05 9.03536892e-04 2.22781096e-05] [-2.22781097e-05 -9.03536893e-04 2.22781096e-05] [-2.22781098e-05 9.03536893e-04 -2.22781098e-05] [ 2.22781097e-05 -9.03536893e-04 -2.22781099e-05] [ 2.22781096e-05 9.03536893e-04 -2.22781098e-05] [-2.22781099e-05 -9.03536893e-04 -2.22781098e-05] [ 2.22781096e-05 -9.03536893e-04 2.22781097e-05] [-2.22781097e-05 9.03536893e-04 2.22781096e-05] [ 2.28456143e-13 2.74835710e-13 3.98459044e-13] [ 2.87399445e-13 -3.04812481e-13 -5.50721665e-15] [ 1.46438417e-13 -1.10000271e-04 6.59396347e-04] [ 1.77583642e-13 1.10000271e-04 6.59396347e-04] [ 1.77337312e-13 -1.10000271e-04 -6.59396347e-04] [ 2.54907206e-13 1.10000271e-04 -6.59396347e-04] [-3.21461271e-04 1.10467191e-13 -3.21461273e-04] [-3.21461272e-04 1.44651652e-13 3.21461272e-04] [ 3.21461272e-04 8.85749807e-15 -3.21461272e-04] [ 3.21461272e-04 1.00299977e-13 3.21461272e-04] [ 6.59396347e-04 -1.10000271e-04 -1.19459997e-13] [-6.59396347e-04 -1.10000271e-04 -1.18498961e-13] [ 6.59396347e-04 1.10000271e-04 6.01289851e-14] [-6.59396347e-04 1.10000271e-04 -4.21069429e-14] [ 2.26739634e-13 -1.10000271e-04 6.59396347e-04] [ 2.88808907e-13 1.10000271e-04 6.59396347e-04] [-7.82182479e-14 -1.10000271e-04 -6.59396347e-04] [ 4.47402532e-14 1.10000270e-04 -6.59396347e-04] [-3.21461272e-04 2.94488086e-13 -3.21461272e-04] [-3.21461272e-04 2.35935620e-13 3.21461272e-04] [ 3.21461272e-04 2.60963126e-14 -3.21461273e-04] [ 3.21461272e-04 2.78232298e-14 3.21461272e-04] [ 6.59396347e-04 -1.10000271e-04 -3.27951504e-14] [-6.59396347e-04 -1.10000272e-04 4.60031823e-13] [ 6.59396347e-04 1.10000272e-04 2.20973816e-13] [-6.59396347e-04 1.10000271e-04 5.21541577e-13]] Final stress: [ 3.37193374e-05 1.40658062e-04 3.37193374e-05 -1.39611933e-16 -2.42658836e-16 -1.41273980e-16] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.06387099e-03 7.79892644e-14 4.85778952e-14] [ 1.06387099e-03 1.03250741e-14 5.24580379e-15] [ 3.32373018e-14 1.86944621e-05 2.59774841e-14] [ 3.16691118e-14 -1.86944622e-05 6.96942504e-14] [ 3.93799576e-14 4.24773064e-14 -1.06387099e-03] [ 5.07927034e-14 -3.55271368e-14 1.06387099e-03] [-1.06387099e-03 1.86348333e-14 1.57770565e-14] [ 1.06387099e-03 2.70603852e-14 -9.94000196e-15] [ 8.45937903e-15 1.86944622e-05 1.13861277e-14] [-4.10257765e-14 -1.86944619e-05 -5.73864725e-15] [ 1.45534626e-14 1.76528897e-14 -1.06387099e-03] [-3.72774728e-14 3.72211507e-14 1.06387099e-03] [-5.82248958e-05 -5.99811359e-04 -5.82248958e-05] [ 5.82248959e-05 5.99811359e-04 -5.82248958e-05] [ 5.82248959e-05 -5.99811359e-04 5.82248958e-05] [-5.82248959e-05 5.99811359e-04 5.82248959e-05] [-5.82248958e-05 -5.99811359e-04 5.82248957e-05] [ 5.82248959e-05 5.99811359e-04 5.82248959e-05] [-5.82248959e-05 5.99811359e-04 -5.82248958e-05] [ 5.82248958e-05 -5.99811359e-04 -5.82248958e-05] [-5.82248960e-05 -5.99811359e-04 -5.82248960e-05] [ 5.82248958e-05 5.99811359e-04 -5.82248957e-05] [ 5.82248958e-05 -5.99811359e-04 5.82248958e-05] [-5.82248958e-05 5.99811359e-04 5.82248958e-05] [-5.82248960e-05 -5.99811359e-04 5.82248958e-05] [ 5.82248957e-05 5.99811359e-04 5.82248957e-05] [-5.82248960e-05 5.99811359e-04 -5.82248958e-05] [ 5.82248958e-05 -5.99811359e-04 -5.82248959e-05] [ 2.59764432e-13 2.97928349e-13 2.30676589e-13] [-7.13383345e-14 -1.79662278e-13 -2.05467282e-14] [-4.55191440e-14 -2.33823162e-04 -4.19591300e-04] [-2.45414800e-13 2.33823162e-04 -4.19591300e-04] [-3.02362302e-15 -2.33823162e-04 4.19591300e-04] [-1.54602026e-13 2.33823162e-04 4.19591300e-04] [ 1.15370168e-04 -1.93289829e-13 1.15370168e-04] [ 1.15370168e-04 -1.48435084e-13 -1.15370168e-04] [-1.15370168e-04 -2.13856710e-14 1.15370168e-04] [-1.15370168e-04 1.11022302e-14 -1.15370168e-04] [-4.19591300e-04 -2.33823162e-04 -6.77236045e-14] [ 4.19591300e-04 -2.33823162e-04 4.73284606e-14] [-4.19591300e-04 2.33823162e-04 -1.01481323e-15] [ 4.19591300e-04 2.33823162e-04 -3.05380721e-14] [ 6.58457663e-15 -2.33823162e-04 -4.19591300e-04] [-2.87595468e-14 2.33823162e-04 -4.19591300e-04] [ 1.20715070e-13 -2.33823162e-04 4.19591300e-04] [ 2.82229535e-13 2.33823162e-04 4.19591300e-04] [ 1.15370168e-04 -1.29289200e-14 1.15370167e-04] [ 1.15370168e-04 5.00797320e-14 -1.15370167e-04] [-1.15370168e-04 -2.81268064e-14 1.15370168e-04] [-1.15370168e-04 -5.54244151e-16 -1.15370168e-04] [-4.19591300e-04 -2.33823162e-04 1.26860563e-13] [ 4.19591300e-04 -2.33823161e-04 5.09307426e-14] [-4.19591300e-04 2.33823162e-04 9.94902064e-14] [ 4.19591300e-04 2.33823162e-04 3.86691547e-14]] Final stress: [-4.39815483e-05 -1.20201846e-04 -4.39815483e-05 1.16411018e-16 9.81178579e-17 7.98246980e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.20602007e-03 -8.99020441e-15 -3.07948111e-14] [-1.20602007e-03 3.85802501e-15 -5.39013278e-14] [ 1.07565866e-14 -3.98217613e-05 2.77311367e-05] [-5.32351940e-14 3.98217615e-05 -2.77311366e-05] [ 4.65803611e-14 2.77311367e-05 -3.98217615e-05] [ 5.84532422e-14 -2.77311367e-05 3.98217614e-05] [ 1.20602007e-03 -8.07990827e-15 -8.67355803e-15] [-1.20602007e-03 -1.82935264e-14 -3.71569892e-14] [-6.18832242e-14 -3.98217615e-05 2.77311367e-05] [-3.23096584e-14 3.98217615e-05 -2.77311367e-05] [-2.53438763e-14 2.77311367e-05 -3.98217616e-05] [-2.51166275e-14 -2.77311366e-05 3.98217614e-05] [ 5.27665908e-04 2.93959944e-04 2.93959944e-04] [ 9.97581478e-04 -4.70024455e-04 4.70024454e-04] [ 9.97581478e-04 4.70024455e-04 -4.70024455e-04] [ 5.27665908e-04 -2.93959944e-04 -2.93959944e-04] [-9.97581478e-04 4.70024455e-04 -4.70024455e-04] [-5.27665908e-04 -2.93959944e-04 -2.93959944e-04] [-9.97581478e-04 -4.70024454e-04 4.70024454e-04] [-5.27665908e-04 2.93959944e-04 2.93959944e-04] [ 5.27665908e-04 2.93959944e-04 2.93959944e-04] [ 9.97581478e-04 -4.70024455e-04 4.70024455e-04] [ 9.97581478e-04 4.70024455e-04 -4.70024455e-04] [ 5.27665908e-04 -2.93959944e-04 -2.93959944e-04] [-9.97581478e-04 4.70024455e-04 -4.70024455e-04] [-5.27665908e-04 -2.93959944e-04 -2.93959944e-04] [-9.97581478e-04 -4.70024454e-04 4.70024454e-04] [-5.27665908e-04 2.93959944e-04 2.93959944e-04] [ 4.54913884e-14 -1.30367939e-13 4.44366766e-14] [-2.37995387e-14 -1.42549691e-13 1.97345002e-13] [-1.23900890e-13 1.33980975e-03 1.33980975e-03] [-7.62272190e-14 1.87374682e-04 -1.87374683e-04] [-6.33243458e-14 -1.87374682e-04 1.87374683e-04] [-4.90267549e-14 -1.33980975e-03 -1.33980975e-03] [ 5.53143513e-04 7.98506719e-04 -3.79684160e-04] [ 5.53143513e-04 -7.98506719e-04 3.79684160e-04] [-5.53143514e-04 7.98506718e-04 -3.79684160e-04] [-5.53143513e-04 -7.98506719e-04 3.79684160e-04] [ 5.53143513e-04 -3.79684160e-04 7.98506719e-04] [-5.53143514e-04 -3.79684161e-04 7.98506719e-04] [ 5.53143513e-04 3.79684160e-04 -7.98506719e-04] [-5.53143514e-04 3.79684161e-04 -7.98506719e-04] [ 6.97085618e-14 1.33980975e-03 1.33980975e-03] [ 8.68658444e-14 1.87374682e-04 -1.87374682e-04] [ 2.44001434e-13 -1.87374682e-04 1.87374683e-04] [ 1.15096734e-13 -1.33980975e-03 -1.33980975e-03] [ 5.53143514e-04 7.98506719e-04 -3.79684161e-04] [ 5.53143514e-04 -7.98506719e-04 3.79684161e-04] [-5.53143514e-04 7.98506719e-04 -3.79684160e-04] [-5.53143513e-04 -7.98506719e-04 3.79684160e-04] [ 5.53143513e-04 -3.79684160e-04 7.98506719e-04] [-5.53143513e-04 -3.79684160e-04 7.98506719e-04] [ 5.53143513e-04 3.79684160e-04 -7.98506719e-04] [-5.53143513e-04 3.79684160e-04 -7.98506719e-04]] Final stress: [-2.70646532e-05 5.89625510e-05 5.89625510e-05 6.76931528e-05 -4.48817953e-17 4.32195066e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.19978147e-03 -1.71945791e-14 -5.08230610e-15] [-1.19978147e-03 -8.27116153e-15 1.22402088e-14] [-3.90004869e-14 -4.27516267e-05 -2.61451956e-05] [ 2.76445533e-14 4.27516267e-05 2.61451956e-05] [ 1.30988970e-14 -2.61451956e-05 -4.27516269e-05] [-5.82867088e-16 2.61451956e-05 4.27516266e-05] [ 1.19978147e-03 -2.32409578e-15 7.27499303e-15] [-1.19978147e-03 -4.85592469e-15 1.69333156e-14] [-3.10129526e-14 -4.27516266e-05 -2.61451956e-05] [ 1.05341083e-14 4.27516267e-05 2.61451955e-05] [-8.53960999e-15 -2.61451957e-05 -4.27516266e-05] [-7.46234671e-15 2.61451956e-05 4.27516267e-05] [-9.91500908e-04 4.69156924e-04 4.69156924e-04] [-5.24230423e-04 -2.92570840e-04 2.92570840e-04] [-5.24230423e-04 2.92570840e-04 -2.92570840e-04] [-9.91500908e-04 -4.69156924e-04 -4.69156924e-04] [ 5.24230423e-04 2.92570840e-04 -2.92570840e-04] [ 9.91500908e-04 -4.69156924e-04 -4.69156924e-04] [ 5.24230423e-04 -2.92570840e-04 2.92570840e-04] [ 9.91500908e-04 4.69156924e-04 4.69156924e-04] [-9.91500908e-04 4.69156923e-04 4.69156924e-04] [-5.24230423e-04 -2.92570840e-04 2.92570840e-04] [-5.24230423e-04 2.92570840e-04 -2.92570840e-04] [-9.91500908e-04 -4.69156924e-04 -4.69156924e-04] [ 5.24230423e-04 2.92570840e-04 -2.92570840e-04] [ 9.91500908e-04 -4.69156924e-04 -4.69156924e-04] [ 5.24230423e-04 -2.92570840e-04 2.92570840e-04] [ 9.91500908e-04 4.69156923e-04 4.69156924e-04] [ 2.87825319e-14 5.40956169e-14 2.52547983e-13] [ 8.60986629e-15 -6.62341906e-14 6.35760560e-14] [ 2.07611706e-14 -1.84044279e-04 -1.84044279e-04] [-5.12732218e-14 -1.33505908e-03 1.33505908e-03] [ 5.95096888e-14 1.33505908e-03 -1.33505908e-03] [-5.34364220e-14 1.84044279e-04 1.84044279e-04] [ 5.40218865e-04 -7.97640355e-04 -3.67108227e-04] [ 5.40218865e-04 7.97640355e-04 3.67108227e-04] [-5.40218866e-04 -7.97640355e-04 -3.67108228e-04] [-5.40218865e-04 7.97640355e-04 3.67108227e-04] [ 5.40218866e-04 -3.67108228e-04 -7.97640354e-04] [-5.40218866e-04 -3.67108228e-04 -7.97640354e-04] [ 5.40218866e-04 3.67108228e-04 7.97640354e-04] [-5.40218866e-04 3.67108228e-04 7.97640354e-04] [ 2.17274115e-14 -1.84044280e-04 -1.84044279e-04] [ 1.91968837e-14 -1.33505908e-03 1.33505908e-03] [ 2.06813733e-14 1.33505908e-03 -1.33505908e-03] [ 9.22695080e-14 1.84044279e-04 1.84044279e-04] [ 5.40218866e-04 -7.97640354e-04 -3.67108228e-04] [ 5.40218866e-04 7.97640354e-04 3.67108228e-04] [-5.40218866e-04 -7.97640355e-04 -3.67108228e-04] [-5.40218866e-04 7.97640354e-04 3.67108228e-04] [ 5.40218866e-04 -3.67108228e-04 -7.97640354e-04] [-5.40218865e-04 -3.67108227e-04 -7.97640354e-04] [ 5.40218865e-04 3.67108227e-04 7.97640355e-04] [-5.40218865e-04 3.67108227e-04 7.97640355e-04]] Final stress: [-2.68925867e-05 5.89025908e-05 5.89025908e-05 -6.76786263e-05 1.49605984e-17 -1.37969963e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.36056361e-04 -1.00817792e-14 3.87277016e-15] [ 6.36056361e-04 -1.64868119e-14 -3.99680289e-15] [-1.21604116e-15 -7.42049191e-05 -1.76583511e-04] [ 5.91193761e-15 7.42049192e-05 1.76583511e-04] [ 1.18871926e-14 -1.76583510e-04 -7.42049191e-05] [ 1.45439216e-14 1.76583511e-04 7.42049191e-05] [-6.36056361e-04 -1.69864123e-14 7.74983541e-15] [ 6.36056361e-04 4.95350289e-15 -1.26021997e-14] [-2.86923263e-15 -7.42049191e-05 -1.76583511e-04] [-2.36833123e-15 7.42049191e-05 1.76583511e-04] [-1.21101046e-14 -1.76583511e-04 -7.42049191e-05] [ 5.68989300e-15 1.76583511e-04 7.42049191e-05] [ 4.89568562e-04 -1.36791069e-04 -1.36791069e-04] [ 1.33057102e-04 2.40718662e-04 -2.40718661e-04] [ 1.33057102e-04 -2.40718661e-04 2.40718661e-04] [ 4.89568562e-04 1.36791069e-04 1.36791069e-04] [-1.33057102e-04 -2.40718661e-04 2.40718661e-04] [-4.89568562e-04 1.36791069e-04 1.36791069e-04] [-1.33057102e-04 2.40718661e-04 -2.40718661e-04] [-4.89568562e-04 -1.36791069e-04 -1.36791069e-04] [ 4.89568562e-04 -1.36791069e-04 -1.36791069e-04] [ 1.33057102e-04 2.40718661e-04 -2.40718662e-04] [ 1.33057102e-04 -2.40718661e-04 2.40718661e-04] [ 4.89568562e-04 1.36791069e-04 1.36791069e-04] [-1.33057102e-04 -2.40718661e-04 2.40718661e-04] [-4.89568562e-04 1.36791069e-04 1.36791069e-04] [-1.33057102e-04 2.40718662e-04 -2.40718662e-04] [-4.89568562e-04 -1.36791069e-04 -1.36791069e-04] [-2.19269047e-15 -2.64510636e-14 3.45279361e-14] [-4.12261371e-14 1.08213579e-14 -6.62611779e-14] [-6.76125822e-14 1.08974155e-04 1.08974155e-04] [-7.02563008e-14 7.46044136e-04 -7.46044136e-04] [-2.53894128e-14 -7.46044136e-04 7.46044136e-04] [-7.33614558e-14 -1.08974155e-04 -1.08974155e-04] [-9.62418746e-05 2.07253337e-04 1.18225267e-04] [-9.62418747e-05 -2.07253337e-04 -1.18225267e-04] [ 9.62418745e-05 2.07253337e-04 1.18225267e-04] [ 9.62418746e-05 -2.07253337e-04 -1.18225267e-04] [-9.62418745e-05 1.18225267e-04 2.07253337e-04] [ 9.62418744e-05 1.18225267e-04 2.07253337e-04] [-9.62418745e-05 -1.18225267e-04 -2.07253337e-04] [ 9.62418744e-05 -1.18225267e-04 -2.07253337e-04] [ 3.21934319e-14 1.08974155e-04 1.08974155e-04] [ 3.23929251e-14 7.46044136e-04 -7.46044136e-04] [ 3.78646767e-15 -7.46044136e-04 7.46044136e-04] [ 1.55799852e-14 -1.08974155e-04 -1.08974155e-04] [-9.62418744e-05 2.07253337e-04 1.18225267e-04] [-9.62418744e-05 -2.07253337e-04 -1.18225267e-04] [ 9.62418745e-05 2.07253337e-04 1.18225267e-04] [ 9.62418744e-05 -2.07253337e-04 -1.18225267e-04] [-9.62418745e-05 1.18225267e-04 2.07253337e-04] [ 9.62418746e-05 1.18225267e-04 2.07253337e-04] [-9.62418746e-05 -1.18225267e-04 -2.07253337e-04] [ 9.62418746e-05 -1.18225267e-04 -2.07253337e-04]] Final stress: [ 4.14888313e-06 -5.50692056e-05 -5.50692056e-05 6.57640175e-05 2.49415886e-17 -1.16394080e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.35715820e-04 -1.84748050e-15 8.16968021e-15] [ 6.35715819e-04 -5.55111512e-15 8.82627305e-15] [-2.55177823e-15 -7.31965721e-05 1.76871883e-04] [ 8.04911693e-16 7.31965721e-05 -1.76871883e-04] [-6.04204187e-15 1.76871883e-04 -7.31965721e-05] [-1.41553436e-15 -1.76871883e-04 7.31965721e-05] [-6.35715820e-04 -6.23633090e-15 -1.23053785e-14] [ 6.35715820e-04 1.47451495e-17 -1.67979339e-16] [-7.70390696e-15 -7.31965721e-05 1.76871883e-04] [-8.26812577e-15 7.31965721e-05 -1.76871883e-04] [-3.50977927e-15 1.76871883e-04 -7.31965721e-05] [-4.64385475e-15 -1.76871883e-04 7.31965721e-05] [-1.32820489e-04 -2.40572084e-04 -2.40572084e-04] [-4.88949763e-04 1.37098131e-04 -1.37098131e-04] [-4.88949763e-04 -1.37098131e-04 1.37098131e-04] [-1.32820489e-04 2.40572084e-04 2.40572084e-04] [ 4.88949763e-04 -1.37098131e-04 1.37098131e-04] [ 1.32820489e-04 2.40572084e-04 2.40572084e-04] [ 4.88949763e-04 1.37098131e-04 -1.37098131e-04] [ 1.32820489e-04 -2.40572084e-04 -2.40572084e-04] [-1.32820489e-04 -2.40572084e-04 -2.40572084e-04] [-4.88949763e-04 1.37098131e-04 -1.37098131e-04] [-4.88949763e-04 -1.37098131e-04 1.37098131e-04] [-1.32820489e-04 2.40572084e-04 2.40572084e-04] [ 4.88949763e-04 -1.37098131e-04 1.37098131e-04] [ 1.32820489e-04 2.40572084e-04 2.40572084e-04] [ 4.88949763e-04 1.37098131e-04 -1.37098131e-04] [ 1.32820489e-04 -2.40572084e-04 -2.40572084e-04] [-3.30291350e-15 4.66293670e-15 2.07056594e-14] [ 4.35502329e-15 6.40885943e-15 -1.88331034e-14] [-3.10862447e-15 -7.45814932e-04 -7.45814932e-04] [-4.05717127e-14 -1.08507810e-04 1.08507810e-04] [-4.25562363e-14 1.08507810e-04 -1.08507810e-04] [-2.19702728e-14 7.45814932e-04 7.45814932e-04] [-9.64290755e-05 -2.08089748e-04 1.17989869e-04] [-9.64290755e-05 2.08089748e-04 -1.17989869e-04] [ 9.64290755e-05 -2.08089748e-04 1.17989869e-04] [ 9.64290756e-05 2.08089748e-04 -1.17989869e-04] [-9.64290754e-05 1.17989869e-04 -2.08089748e-04] [ 9.64290754e-05 1.17989869e-04 -2.08089748e-04] [-9.64290754e-05 -1.17989869e-04 2.08089748e-04] [ 9.64290754e-05 -1.17989869e-04 2.08089748e-04] [ 4.19846449e-15 -7.45814933e-04 -7.45814932e-04] [ 7.85135845e-15 -1.08507810e-04 1.08507810e-04] [ 1.35026539e-14 1.08507810e-04 -1.08507810e-04] [ 1.20554608e-14 7.45814932e-04 7.45814932e-04] [-9.64290754e-05 -2.08089748e-04 1.17989869e-04] [-9.64290754e-05 2.08089748e-04 -1.17989869e-04] [ 9.64290755e-05 -2.08089748e-04 1.17989869e-04] [ 9.64290754e-05 2.08089748e-04 -1.17989869e-04] [-9.64290755e-05 1.17989869e-04 -2.08089748e-04] [ 9.64290755e-05 1.17989869e-04 -2.08089748e-04] [-9.64290755e-05 -1.17989869e-04 2.08089748e-04] [ 9.64290755e-05 -1.17989869e-04 2.08089748e-04]] Final stress: [ 4.15389602e-06 -5.50655795e-05 -5.50655795e-05 -6.57616196e-05 -2.49415886e-17 -2.49415886e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.21779168e-03 8.54524784e-15 2.52126418e-05] [-1.21779168e-03 3.20854454e-14 -2.52126418e-05] [-7.37214109e-15 -3.75139172e-05 3.89701292e-14] [-4.99600361e-15 3.75139174e-05 -8.04911693e-15] [ 3.15844624e-05 -3.48211043e-14 -3.08677986e-05] [-3.15844624e-05 -3.60544927e-14 3.08677984e-05] [ 1.21779168e-03 6.03067943e-14 2.52126418e-05] [-1.21779168e-03 2.08045386e-14 -2.52126418e-05] [-2.88094201e-15 -3.75139173e-05 -2.19782133e-14] [-1.18958662e-15 3.75139172e-05 -1.65547491e-14] [ 3.15844623e-05 1.75543257e-14 -3.08677985e-05] [-3.15844624e-05 -5.25376775e-14 3.08677985e-05] [-3.19451028e-04 1.14079603e-03 2.97316239e-04] [ 1.47720318e-04 3.82544611e-04 4.67151087e-04] [ 3.19451029e-04 1.14079603e-03 -2.97316239e-04] [-1.47720318e-04 3.82544611e-04 -4.67151087e-04] [-1.47720318e-04 -3.82544611e-04 -4.67151087e-04] [ 3.19451028e-04 -1.14079603e-03 -2.97316239e-04] [-3.19451028e-04 -1.14079603e-03 2.97316239e-04] [ 1.47720318e-04 -3.82544611e-04 4.67151087e-04] [-3.19451028e-04 1.14079603e-03 2.97316239e-04] [ 1.47720318e-04 3.82544611e-04 4.67151087e-04] [ 3.19451028e-04 1.14079603e-03 -2.97316239e-04] [-1.47720318e-04 3.82544611e-04 -4.67151087e-04] [-1.47720318e-04 -3.82544611e-04 -4.67151087e-04] [ 3.19451028e-04 -1.14079603e-03 -2.97316239e-04] [-3.19451028e-04 -1.14079603e-03 2.97316239e-04] [ 1.47720318e-04 -3.82544611e-04 4.67151087e-04] [ 9.05109321e-14 -8.81794637e-14 1.09245946e-13] [-2.65944385e-13 -7.38304532e-14 -9.22977613e-14] [ 7.90970826e-04 5.76885794e-04 5.76535572e-04] [ 7.90970826e-04 -5.76885794e-04 5.76535572e-04] [-7.90970826e-04 5.76885794e-04 -5.76535572e-04] [-7.90970826e-04 -5.76885794e-04 -5.76535572e-04] [ 1.32844329e-03 -6.94999613e-14 3.89074480e-04] [-2.14365575e-04 -1.99840144e-14 1.15734761e-03] [ 2.14365575e-04 -4.58903748e-14 -1.15734761e-03] [-1.32844329e-03 -3.07965459e-14 -3.89074480e-04] [ 5.56435565e-04 -3.84389003e-04 7.94324233e-04] [-5.56435565e-04 -3.84389003e-04 -7.94324233e-04] [ 5.56435565e-04 3.84389003e-04 7.94324233e-04] [-5.56435565e-04 3.84389003e-04 -7.94324233e-04] [ 7.90970826e-04 5.76885794e-04 5.76535571e-04] [ 7.90970826e-04 -5.76885794e-04 5.76535572e-04] [-7.90970826e-04 5.76885794e-04 -5.76535571e-04] [-7.90970826e-04 -5.76885794e-04 -5.76535572e-04] [ 1.32844329e-03 -2.27364661e-13 3.89074480e-04] [-2.14365576e-04 3.86812977e-14 1.15734761e-03] [ 2.14365575e-04 -1.25316424e-13 -1.15734761e-03] [-1.32844329e-03 7.37023290e-14 -3.89074480e-04] [ 5.56435566e-04 -3.84389003e-04 7.94324233e-04] [-5.56435565e-04 -3.84389003e-04 -7.94324233e-04] [ 5.56435566e-04 3.84389003e-04 7.94324233e-04] [-5.56435565e-04 3.84389003e-04 -7.94324233e-04]] Final stress: [-2.71027054e-05 5.89607193e-05 5.89999173e-05 7.31407035e-17 6.75947842e-05 3.32457743e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.21685864e-03 1.11434299e-14 -2.75834942e-05] [-1.21685864e-03 4.29933866e-14 2.75834942e-05] [-4.87916998e-14 -3.39193649e-05 2.87317913e-14] [-1.95121697e-14 3.39193651e-05 -3.02535774e-15] [-3.39473524e-05 4.18189788e-14 -2.72974396e-05] [ 3.39473525e-05 5.50948176e-14 2.72974393e-05] [ 1.21685864e-03 7.45670886e-15 -2.75834943e-05] [-1.21685864e-03 3.21327166e-14 2.75834942e-05] [ 7.90166543e-15 -3.39193648e-05 -2.53107076e-14] [ 5.98349495e-15 3.39193650e-05 -2.49805967e-14] [-3.39473525e-05 -2.52567289e-14 -2.72974394e-05] [ 3.39473524e-05 -1.94261875e-14 2.72974395e-05] [-1.48635554e-04 -3.84453214e-04 4.65688223e-04] [ 3.19344733e-04 -1.14083507e-03 2.96889142e-04] [ 1.48635554e-04 -3.84453214e-04 -4.65688223e-04] [-3.19344734e-04 -1.14083507e-03 -2.96889142e-04] [-3.19344734e-04 1.14083507e-03 -2.96889142e-04] [ 1.48635554e-04 3.84453214e-04 -4.65688223e-04] [-1.48635554e-04 3.84453214e-04 4.65688223e-04] [ 3.19344733e-04 1.14083507e-03 2.96889142e-04] [-1.48635554e-04 -3.84453214e-04 4.65688223e-04] [ 3.19344734e-04 -1.14083507e-03 2.96889142e-04] [ 1.48635554e-04 -3.84453214e-04 -4.65688223e-04] [-3.19344733e-04 -1.14083507e-03 -2.96889142e-04] [-3.19344733e-04 1.14083507e-03 -2.96889142e-04] [ 1.48635554e-04 3.84453214e-04 -4.65688223e-04] [-1.48635554e-04 3.84453214e-04 4.65688223e-04] [ 3.19344734e-04 1.14083507e-03 2.96889142e-04] [-9.24260668e-15 2.30093722e-14 3.62182506e-13] [ 8.67144898e-14 -2.15610144e-13 -2.85551978e-13] [-7.86904508e-04 5.75563325e-04 5.75213825e-04] [-7.86904508e-04 -5.75563325e-04 5.75213825e-04] [ 7.86904508e-04 5.75563325e-04 -5.75213825e-04] [ 7.86904508e-04 -5.75563325e-04 -5.75213825e-04] [-2.18594647e-04 -1.46438417e-13 -1.15478962e-03] [ 1.32341497e-03 -7.38107492e-14 -3.90838952e-04] [-1.32341497e-03 -1.20044599e-13 3.90838952e-04] [ 2.18594647e-04 -1.15378193e-13 1.15478962e-03] [ 5.51807138e-04 -3.82228207e-04 -7.90262853e-04] [-5.51807138e-04 -3.82228207e-04 7.90262853e-04] [ 5.51807138e-04 3.82228207e-04 -7.90262853e-04] [-5.51807138e-04 3.82228207e-04 7.90262853e-04] [-7.86904509e-04 5.75563325e-04 5.75213825e-04] [-7.86904508e-04 -5.75563325e-04 5.75213825e-04] [ 7.86904509e-04 5.75563325e-04 -5.75213825e-04] [ 7.86904509e-04 -5.75563325e-04 -5.75213825e-04] [-2.18594647e-04 -9.72894267e-14 -1.15478962e-03] [ 1.32341497e-03 8.24383964e-14 -3.90838952e-04] [-1.32341497e-03 -1.11976834e-13 3.90838952e-04] [ 2.18594647e-04 -1.67891742e-13 1.15478962e-03] [ 5.51807138e-04 -3.82228207e-04 -7.90262853e-04] [-5.51807138e-04 -3.82228207e-04 7.90262853e-04] [ 5.51807139e-04 3.82228208e-04 -7.90262853e-04] [-5.51807139e-04 3.82228207e-04 7.90262853e-04]] Final stress: [-2.69989414e-05 5.89589656e-05 5.89981115e-05 9.97373229e-18 -6.76183572e-05 -4.65440840e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.33585215e-04 -3.13811477e-15 -1.76883908e-04] [ 6.33585215e-04 3.44169138e-15 1.76883908e-04] [ 5.34988720e-15 -7.48064156e-05 3.27776001e-15] [ 6.02295991e-15 7.48064157e-05 -1.10467191e-14] [-1.80478947e-04 -7.08721276e-15 -7.30541500e-05] [ 1.80478947e-04 8.74300632e-15 7.30541499e-05] [-6.33585215e-04 -1.96110489e-15 -1.76883908e-04] [ 6.33585215e-04 -4.30861943e-15 1.76883908e-04] [ 3.83634097e-15 -7.48064156e-05 -1.15182958e-14] [ 4.10435574e-15 7.48064156e-05 -1.71874436e-14] [-1.80478948e-04 -2.23398023e-15 -7.30541500e-05] [ 1.80478948e-04 -2.04352100e-15 7.30541499e-05] [ 2.31783976e-04 1.21087437e-04 -1.36549617e-04] [-1.25878971e-04 5.00447259e-04 -2.41072079e-04] [-2.31783976e-04 1.21087437e-04 1.36549617e-04] [ 1.25878971e-04 5.00447259e-04 2.41072079e-04] [ 1.25878971e-04 -5.00447259e-04 2.41072079e-04] [-2.31783976e-04 -1.21087437e-04 1.36549617e-04] [ 2.31783976e-04 -1.21087437e-04 -1.36549617e-04] [-1.25878971e-04 -5.00447259e-04 -2.41072079e-04] [ 2.31783976e-04 1.21087437e-04 -1.36549617e-04] [-1.25878971e-04 5.00447259e-04 -2.41072079e-04] [-2.31783976e-04 1.21087437e-04 1.36549617e-04] [ 1.25878971e-04 5.00447259e-04 2.41072079e-04] [ 1.25878971e-04 -5.00447259e-04 2.41072079e-04] [-2.31783976e-04 -1.21087437e-04 1.36549617e-04] [ 2.31783976e-04 -1.21087437e-04 -1.36549617e-04] [-1.25878971e-04 -5.00447259e-04 -2.41072079e-04] [ 1.76442194e-13 -2.71727085e-14 5.44286838e-14] [-7.05555406e-14 2.31741195e-14 -4.06658289e-14] [ 2.09020066e-04 -3.18840376e-04 -3.19093425e-04] [ 2.09020066e-04 3.18840376e-04 -3.19093425e-04] [-2.09020066e-04 -3.18840376e-04 3.19093425e-04] [-2.09020066e-04 3.18840376e-04 3.19093425e-04] [ 3.32234783e-04 -8.98170427e-14 5.43153351e-04] [-5.22191150e-04 -6.05453188e-14 3.09533280e-04] [ 5.22191150e-04 -3.84640236e-14 -3.09533280e-04] [-3.32234783e-04 -7.29537958e-14 -5.43153351e-04] [-9.52841182e-05 1.16759899e-04 2.06332486e-04] [ 9.52841182e-05 1.16759899e-04 -2.06332486e-04] [-9.52841182e-05 -1.16759899e-04 2.06332486e-04] [ 9.52841183e-05 -1.16759899e-04 -2.06332486e-04] [ 2.09020066e-04 -3.18840375e-04 -3.19093425e-04] [ 2.09020066e-04 3.18840376e-04 -3.19093425e-04] [-2.09020066e-04 -3.18840375e-04 3.19093425e-04] [-2.09020066e-04 3.18840375e-04 3.19093425e-04] [ 3.32234783e-04 1.14264028e-14 5.43153351e-04] [-5.22191150e-04 1.88640336e-14 3.09533280e-04] [ 5.22191150e-04 -2.13219199e-14 -3.09533280e-04] [-3.32234783e-04 2.15999094e-14 -5.43153351e-04] [-9.52841181e-05 1.16759899e-04 2.06332486e-04] [ 9.52841182e-05 1.16759899e-04 -2.06332485e-04] [-9.52841181e-05 -1.16759899e-04 2.06332485e-04] [ 9.52841180e-05 -1.16759899e-04 -2.06332485e-04]] Final stress: [ 4.16158584e-06 -5.50752842e-05 -5.50607942e-05 1.66277258e-17 6.57601662e-05 9.97663545e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.34088775e-04 1.74599918e-15 1.77047933e-04] [ 6.34088774e-04 -8.27116153e-15 -1.77047933e-04] [-4.83814377e-15 -7.62275193e-05 -4.01111436e-15] [ 8.90953977e-15 7.62275193e-05 8.29891711e-15] [ 1.80644162e-04 8.42381720e-15 -7.44824171e-05] [-1.80644162e-04 -3.18078897e-14 7.44824171e-05] [-6.34088774e-04 -5.19679785e-15 1.77047933e-04] [ 6.34088774e-04 5.40106154e-15 -1.77047933e-04] [-5.91063656e-15 -7.62275193e-05 -7.72568693e-15] [ 3.20620266e-15 7.62275193e-05 -9.31770801e-15] [ 1.80644162e-04 4.06170314e-15 -7.44824171e-05] [-1.80644162e-04 7.29830860e-15 7.44824171e-05] [ 1.25646243e-04 -5.00628354e-04 -2.41474199e-04] [-2.32570086e-04 -1.21489029e-04 -1.35933704e-04] [-1.25646243e-04 -5.00628353e-04 2.41474199e-04] [ 2.32570086e-04 -1.21489029e-04 1.35933704e-04] [ 2.32570086e-04 1.21489029e-04 1.35933704e-04] [-1.25646243e-04 5.00628354e-04 2.41474199e-04] [ 1.25646243e-04 5.00628353e-04 -2.41474199e-04] [-2.32570086e-04 1.21489029e-04 -1.35933704e-04] [ 1.25646243e-04 -5.00628353e-04 -2.41474199e-04] [-2.32570086e-04 -1.21489029e-04 -1.35933704e-04] [-1.25646243e-04 -5.00628354e-04 2.41474199e-04] [ 2.32570086e-04 -1.21489029e-04 1.35933704e-04] [ 2.32570086e-04 1.21489029e-04 1.35933704e-04] [-1.25646243e-04 5.00628353e-04 2.41474199e-04] [ 1.25646243e-04 5.00628354e-04 -2.41474199e-04] [-2.32570086e-04 1.21489029e-04 -1.35933704e-04] [ 4.71844785e-14 -1.31838984e-14 5.10702591e-15] [-2.31138893e-14 -9.82771862e-15 2.87153926e-14] [-2.07645186e-04 -3.18673688e-04 -3.18927223e-04] [-2.07645186e-04 3.18673688e-04 -3.18927223e-04] [ 2.07645186e-04 -3.18673688e-04 3.18927223e-04] [ 2.07645186e-04 3.18673688e-04 3.18927223e-04] [-5.23351748e-04 -6.92779167e-14 -3.09047404e-04] [ 3.32221070e-04 -2.17915963e-14 -5.44804020e-04] [-3.32221069e-04 -7.23032745e-14 5.44804020e-04] [ 5.23351748e-04 -1.60444574e-14 3.09047404e-04] [-9.58722338e-05 1.17827690e-04 -2.04963047e-04] [ 9.58722337e-05 1.17827690e-04 2.04963047e-04] [-9.58722338e-05 -1.17827690e-04 -2.04963047e-04] [ 9.58722337e-05 -1.17827690e-04 2.04963047e-04] [-2.07645186e-04 -3.18673688e-04 -3.18927223e-04] [-2.07645186e-04 3.18673688e-04 -3.18927223e-04] [ 2.07645186e-04 -3.18673688e-04 3.18927223e-04] [ 2.07645186e-04 3.18673688e-04 3.18927223e-04] [-5.23351748e-04 3.07734476e-14 -3.09047404e-04] [ 3.32221069e-04 1.05169779e-14 -5.44804020e-04] [-3.32221069e-04 -2.80101463e-14 5.44804020e-04] [ 5.23351748e-04 -1.92667063e-14 3.09047404e-04] [-9.58722337e-05 1.17827690e-04 -2.04963047e-04] [ 9.58722337e-05 1.17827690e-04 2.04963047e-04] [-9.58722336e-05 -1.17827689e-04 -2.04963047e-04] [ 9.58722336e-05 -1.17827689e-04 2.04963047e-04]] Final stress: [ 4.15751168e-06 -5.50805468e-05 -5.50660350e-05 2.32788161e-17 -6.57575577e-05 -2.32788161e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.21779168e-03 2.52126412e-05 6.17301349e-15] [-1.21779168e-03 -2.52126413e-05 2.96984659e-15] [ 3.15844618e-05 -3.08677993e-05 -1.47260676e-14] [-3.15844617e-05 3.08677993e-05 -3.56659147e-14] [-3.38271078e-17 1.16443313e-14 -3.75139181e-05] [ 1.92068583e-14 5.66768854e-14 3.75139180e-05] [ 1.21779168e-03 2.52126412e-05 2.65985601e-14] [-1.21779168e-03 -2.52126412e-05 2.71002111e-14] [ 3.15844618e-05 -3.08677993e-05 -2.18380002e-14] [-3.15844618e-05 3.08677992e-05 -1.12141227e-15] [ 2.21420104e-14 5.48513157e-15 -3.75139181e-05] [-5.12151085e-14 -2.81187664e-14 3.75139180e-05] [-3.19451028e-04 2.97316239e-04 1.14079603e-03] [ 3.19451029e-04 -2.97316239e-04 1.14079603e-03] [ 1.47720318e-04 4.67151087e-04 3.82544611e-04] [-1.47720318e-04 -4.67151087e-04 3.82544610e-04] [-3.19451029e-04 2.97316239e-04 -1.14079603e-03] [ 3.19451029e-04 -2.97316239e-04 -1.14079603e-03] [-1.47720318e-04 -4.67151087e-04 -3.82544610e-04] [ 1.47720318e-04 4.67151087e-04 -3.82544611e-04] [-3.19451029e-04 2.97316239e-04 1.14079603e-03] [ 3.19451028e-04 -2.97316239e-04 1.14079603e-03] [ 1.47720318e-04 4.67151087e-04 3.82544610e-04] [-1.47720318e-04 -4.67151087e-04 3.82544610e-04] [-3.19451029e-04 2.97316239e-04 -1.14079603e-03] [ 3.19451028e-04 -2.97316239e-04 -1.14079603e-03] [-1.47720318e-04 -4.67151087e-04 -3.82544611e-04] [ 1.47720318e-04 4.67151087e-04 -3.82544610e-04] [ 5.64825964e-14 -1.15907284e-13 6.51978471e-14] [-1.07034173e-13 4.59644925e-14 8.00034468e-14] [ 7.90970827e-04 5.76535572e-04 5.76885794e-04] [-7.90970827e-04 -5.76535572e-04 5.76885794e-04] [ 7.90970827e-04 5.76535572e-04 -5.76885794e-04] [-7.90970827e-04 -5.76535572e-04 -5.76885794e-04] [ 5.56435567e-04 7.94324234e-04 -3.84389003e-04] [ 5.56435567e-04 7.94324234e-04 3.84389004e-04] [-5.56435567e-04 -7.94324234e-04 -3.84389004e-04] [-5.56435567e-04 -7.94324234e-04 3.84389004e-04] [ 1.32844329e-03 3.89074480e-04 6.80566714e-14] [ 2.14365575e-04 -1.15734761e-03 5.37885708e-14] [-2.14365574e-04 1.15734761e-03 4.10071282e-14] [-1.32844329e-03 -3.89074480e-04 8.33673408e-14] [ 7.90970827e-04 5.76535572e-04 5.76885794e-04] [-7.90970827e-04 -5.76535572e-04 5.76885794e-04] [ 7.90970827e-04 5.76535572e-04 -5.76885794e-04] [-7.90970827e-04 -5.76535572e-04 -5.76885794e-04] [ 5.56435567e-04 7.94324234e-04 -3.84389003e-04] [ 5.56435567e-04 7.94324234e-04 3.84389004e-04] [-5.56435567e-04 -7.94324234e-04 -3.84389003e-04] [-5.56435567e-04 -7.94324234e-04 3.84389003e-04] [ 1.32844329e-03 3.89074480e-04 2.12979498e-13] [ 2.14365574e-04 -1.15734761e-03 4.50066213e-15] [-2.14365574e-04 1.15734761e-03 3.42238987e-14] [-1.32844329e-03 -3.89074480e-04 -1.44159858e-14]] Final stress: [-2.71027054e-05 5.89999173e-05 5.89607193e-05 -1.32983097e-17 1.19684788e-16 6.75947842e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.20370119e-03 -1.87879899e-05 3.38097605e-14] [-1.20370119e-03 1.87879900e-05 -1.71807013e-14] [-2.51147223e-05 -4.14975607e-05 1.77188993e-14] [ 2.51147223e-05 4.14975607e-05 -4.49085213e-14] [ 3.68845579e-15 4.57559338e-14 -4.81178200e-05] [ 7.18314297e-14 -6.10622664e-16 4.81178199e-05] [ 1.20370119e-03 -1.87879899e-05 3.23386700e-14] [-1.20370119e-03 1.87879899e-05 -7.74247387e-15] [-2.51147222e-05 -4.14975606e-05 -7.00140985e-14] [ 2.51147222e-05 4.14975609e-05 -3.97364615e-14] [-7.58898153e-14 1.45474950e-14 -4.81178200e-05] [-5.66309152e-14 -4.93378904e-16 4.81178200e-05] [-1.43022672e-04 4.66560906e-04 -3.71837328e-04] [ 1.43022672e-04 -4.66560906e-04 -3.71837327e-04] [ 3.16986242e-04 2.94458139e-04 -1.12666846e-03] [-3.16986242e-04 -2.94458139e-04 -1.12666846e-03] [-1.43022672e-04 4.66560906e-04 3.71837327e-04] [ 1.43022672e-04 -4.66560906e-04 3.71837328e-04] [-3.16986242e-04 -2.94458139e-04 1.12666846e-03] [ 3.16986242e-04 2.94458139e-04 1.12666846e-03] [-1.43022672e-04 4.66560906e-04 -3.71837328e-04] [ 1.43022672e-04 -4.66560906e-04 -3.71837328e-04] [ 3.16986242e-04 2.94458139e-04 -1.12666846e-03] [-3.16986242e-04 -2.94458139e-04 -1.12666846e-03] [-1.43022672e-04 4.66560906e-04 3.71837327e-04] [ 1.43022672e-04 -4.66560906e-04 3.71837327e-04] [-3.16986242e-04 -2.94458139e-04 1.12666846e-03] [ 3.16986242e-04 2.94458139e-04 1.12666846e-03] [-3.60822483e-16 -1.53765889e-14 6.49202914e-14] [-1.19587500e-14 -2.50845170e-13 -2.22174735e-14] [-7.93026099e-04 5.76332900e-04 5.76663144e-04] [ 7.93026099e-04 -5.76332900e-04 5.76663144e-04] [-7.93026099e-04 5.76332900e-04 -5.76663143e-04] [ 7.93026099e-04 -5.76332900e-04 -5.76663144e-04] [ 5.28980238e-04 -7.96442376e-04 -3.55275474e-04] [ 5.28980239e-04 -7.96442376e-04 3.55275474e-04] [-5.28980239e-04 7.96442376e-04 -3.55275474e-04] [-5.28980239e-04 7.96442376e-04 3.55275474e-04] [-2.32496364e-04 -1.11901503e-03 1.41442413e-13] [-1.29162190e-03 4.08968171e-04 1.23030058e-13] [ 1.29162190e-03 -4.08968170e-04 7.31359417e-15] [ 2.32496364e-04 1.11901503e-03 1.64562808e-13] [-7.93026099e-04 5.76332900e-04 5.76663144e-04] [ 7.93026099e-04 -5.76332900e-04 5.76663144e-04] [-7.93026099e-04 5.76332899e-04 -5.76663144e-04] [ 7.93026099e-04 -5.76332899e-04 -5.76663144e-04] [ 5.28980239e-04 -7.96442376e-04 -3.55275475e-04] [ 5.28980239e-04 -7.96442376e-04 3.55275474e-04] [-5.28980239e-04 7.96442376e-04 -3.55275475e-04] [-5.28980239e-04 7.96442376e-04 3.55275475e-04] [-2.32496364e-04 -1.11901503e-03 1.68504579e-13] [-1.29162190e-03 4.08968171e-04 -1.06008477e-14] [ 1.29162190e-03 -4.08968171e-04 1.95125261e-13] [ 2.32496364e-04 1.11901503e-03 -4.62858918e-14]] Final stress: [-2.67960766e-05 5.88559981e-05 5.88174611e-05 1.44619118e-16 4.65440840e-17 -6.75352463e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.33506163e-04 -1.77122159e-04 -6.44796716e-15] [ 6.33506163e-04 1.77122159e-04 -1.78468351e-14] [-1.80717117e-04 -7.28593354e-05 -3.08780779e-16] [ 1.80717117e-04 7.28593354e-05 -8.29891711e-15] [ 1.49684952e-14 1.54216917e-15 -7.46119147e-05] [ 1.65145675e-14 -1.33226763e-15 7.46119147e-05] [-6.33506163e-04 -1.77122159e-04 -3.43215040e-15] [ 6.33506163e-04 1.77122159e-04 -7.66544411e-15] [-1.80717117e-04 -7.28593354e-05 -3.17055076e-15] [ 1.80717117e-04 7.28593354e-05 5.59269802e-15] [ 2.61205987e-15 1.24500418e-14 -7.46119146e-05] [-7.93679358e-15 2.87122506e-15 7.46119147e-05] [ 2.31760221e-04 -1.36550371e-04 1.20882572e-04] [-2.31760221e-04 1.36550371e-04 1.20882572e-04] [-1.25824909e-04 -2.41103716e-04 5.00274983e-04] [ 1.25824909e-04 2.41103716e-04 5.00274983e-04] [ 2.31760221e-04 -1.36550371e-04 -1.20882572e-04] [-2.31760221e-04 1.36550371e-04 -1.20882572e-04] [ 1.25824909e-04 2.41103716e-04 -5.00274983e-04] [-1.25824909e-04 -2.41103716e-04 -5.00274983e-04] [ 2.31760221e-04 -1.36550371e-04 1.20882572e-04] [-2.31760221e-04 1.36550371e-04 1.20882572e-04] [-1.25824909e-04 -2.41103716e-04 5.00274983e-04] [ 1.25824909e-04 2.41103716e-04 5.00274983e-04] [ 2.31760221e-04 -1.36550371e-04 -1.20882572e-04] [-2.31760221e-04 1.36550371e-04 -1.20882572e-04] [ 1.25824909e-04 2.41103716e-04 -5.00274983e-04] [-1.25824909e-04 -2.41103716e-04 -5.00274983e-04] [ 1.91513472e-15 -1.28785871e-14 3.40283357e-14] [-2.17712133e-14 -5.15937218e-15 -9.02827871e-14] [ 2.09121176e-04 -3.19126934e-04 -3.18873863e-04] [-2.09121176e-04 3.19126934e-04 -3.18873863e-04] [ 2.09121176e-04 -3.19126934e-04 3.18873863e-04] [-2.09121176e-04 3.19126934e-04 3.18873863e-04] [-9.54322639e-05 2.06433697e-04 1.16794438e-04] [-9.54322639e-05 2.06433697e-04 -1.16794438e-04] [ 9.54322639e-05 -2.06433698e-04 1.16794438e-04] [ 9.54322640e-05 -2.06433698e-04 -1.16794438e-04] [ 3.32042889e-04 5.43144492e-04 2.12052598e-14] [ 5.22295627e-04 -3.09455468e-04 2.09901541e-16] [-5.22295627e-04 3.09455468e-04 1.01273157e-14] [-3.32042889e-04 -5.43144493e-04 -2.16406754e-14] [ 2.09121176e-04 -3.19126934e-04 -3.18873863e-04] [-2.09121176e-04 3.19126934e-04 -3.18873863e-04] [ 2.09121176e-04 -3.19126934e-04 3.18873863e-04] [-2.09121176e-04 3.19126934e-04 3.18873863e-04] [-9.54322639e-05 2.06433698e-04 1.16794438e-04] [-9.54322639e-05 2.06433698e-04 -1.16794438e-04] [ 9.54322639e-05 -2.06433698e-04 1.16794438e-04] [ 9.54322640e-05 -2.06433697e-04 -1.16794438e-04] [ 3.32042889e-04 5.43144492e-04 3.20280921e-14] [ 5.22295627e-04 -3.09455468e-04 5.87638831e-14] [-5.22295627e-04 3.09455468e-04 4.48213888e-14] [-3.32042889e-04 -5.43144492e-04 4.47515289e-15]] Final stress: [ 4.16295608e-06 -5.50598020e-05 -5.50742909e-05 4.15693144e-17 1.16394080e-17 6.57577794e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.33593243e-04 1.77906693e-04 -1.13385863e-14] [ 6.33593243e-04 -1.77906693e-04 -4.60742555e-15] [ 1.81502516e-04 -7.36755157e-05 -8.20524204e-16] [-1.81502516e-04 7.36755157e-05 7.74380560e-15] [ 5.44703171e-15 -1.13780513e-14 -7.54224551e-05] [-1.17128529e-14 -2.31759056e-14 7.54224551e-05] [-6.33593243e-04 1.77906693e-04 1.36179679e-14] [ 6.33593243e-04 -1.77906693e-04 -1.24221265e-14] [ 1.81502516e-04 -7.36755158e-05 -1.46696221e-15] [-1.81502516e-04 7.36755157e-05 -8.10433113e-15] [-4.18306882e-14 -3.21535634e-15 -7.54224550e-05] [-4.75747913e-15 -2.91805963e-15 7.54224551e-05] [ 1.25433539e-04 -2.41529639e-04 -4.99920625e-04] [-1.25433539e-04 2.41529639e-04 -4.99920625e-04] [-2.32356450e-04 -1.35987296e-04 -1.20670989e-04] [ 2.32356450e-04 1.35987296e-04 -1.20670989e-04] [ 1.25433539e-04 -2.41529639e-04 4.99920625e-04] [-1.25433539e-04 2.41529639e-04 4.99920625e-04] [ 2.32356450e-04 1.35987296e-04 1.20670989e-04] [-2.32356450e-04 -1.35987296e-04 1.20670989e-04] [ 1.25433539e-04 -2.41529639e-04 -4.99920625e-04] [-1.25433539e-04 2.41529639e-04 -4.99920625e-04] [-2.32356450e-04 -1.35987296e-04 -1.20670989e-04] [ 2.32356450e-04 1.35987296e-04 -1.20670989e-04] [ 1.25433539e-04 -2.41529639e-04 4.99920625e-04] [-1.25433539e-04 2.41529639e-04 4.99920625e-04] [ 2.32356450e-04 1.35987296e-04 1.20670989e-04] [-2.32356450e-04 -1.35987296e-04 1.20670989e-04] [ 4.47697435e-14 -4.40480985e-14 1.61537450e-14] [ 1.42767742e-14 5.52994548e-14 -6.35205452e-14] [-2.08122482e-04 -3.19175818e-04 -3.18923641e-04] [ 2.08122482e-04 3.19175818e-04 -3.18923640e-04] [-2.08122482e-04 -3.19175818e-04 3.18923640e-04] [ 2.08122482e-04 3.19175818e-04 3.18923640e-04] [-9.46616774e-05 -2.05437204e-04 1.16233105e-04] [-9.46616774e-05 -2.05437204e-04 -1.16233105e-04] [ 9.46616773e-05 2.05437204e-04 1.16233105e-04] [ 9.46616774e-05 2.05437204e-04 -1.16233105e-04] [-5.21914158e-04 -3.10407881e-04 5.96189764e-14] [-3.33202838e-04 5.42976281e-04 1.87280746e-14] [ 3.33202838e-04 -5.42976281e-04 -2.64718802e-15] [ 5.21914158e-04 3.10407881e-04 -2.38767339e-14] [-2.08122482e-04 -3.19175819e-04 -3.18923640e-04] [ 2.08122482e-04 3.19175818e-04 -3.18923640e-04] [-2.08122482e-04 -3.19175818e-04 3.18923640e-04] [ 2.08122482e-04 3.19175819e-04 3.18923640e-04] [-9.46616774e-05 -2.05437204e-04 1.16233105e-04] [-9.46616773e-05 -2.05437204e-04 -1.16233105e-04] [ 9.46616773e-05 2.05437204e-04 1.16233105e-04] [ 9.46616773e-05 2.05437204e-04 -1.16233105e-04] [-5.21914158e-04 -3.10407881e-04 -6.97412990e-15] [-3.33202838e-04 5.42976281e-04 2.98021766e-14] [ 3.33202838e-04 -5.42976281e-04 4.19768590e-14] [ 5.21914158e-04 3.10407881e-04 6.08684110e-14]] Final stress: [ 4.15728046e-06 -5.50586972e-05 -5.50731998e-05 9.97663545e-18 1.16394080e-17 -6.57489178e-05] Minimization converged after 26 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 6.09837234e-04 1.24168471e-13 2.13778648e-14] [-6.09837235e-04 -2.06501483e-14 9.96425165e-15] [-7.17056622e-14 2.22891417e-03 7.84784564e-14] [-7.93809463e-15 -2.22891417e-03 1.45577994e-13] [-2.47666471e-14 -6.16919710e-14 2.22891417e-03] [-6.03683770e-14 -1.18793864e-14 -2.22891417e-03] [ 6.09837235e-04 3.95660067e-14 6.38713976e-14] [-6.09837234e-04 1.10430328e-13 -9.08482713e-14] [ 2.94430279e-14 2.22891417e-03 -3.29991209e-14] [-4.21442395e-14 -2.22891417e-03 -2.94071946e-14] [-4.75700208e-14 -1.00864987e-14 2.22891417e-03] [-1.14350369e-13 -1.67886028e-14 -2.22891417e-03] [ 9.03829184e-04 2.33911753e-05 2.33911753e-05] [-9.03829184e-04 -2.33911753e-05 2.33911753e-05] [-9.03829183e-04 2.33911752e-05 -2.33911753e-05] [ 9.03829184e-04 -2.33911752e-05 -2.33911753e-05] [ 9.03829183e-04 2.33911755e-05 -2.33911753e-05] [-9.03829184e-04 -2.33911753e-05 -2.33911753e-05] [ 9.03829184e-04 -2.33911756e-05 2.33911755e-05] [-9.03829184e-04 2.33911753e-05 2.33911753e-05] [ 9.03829184e-04 2.33911755e-05 2.33911753e-05] [-9.03829184e-04 -2.33911753e-05 2.33911753e-05] [-9.03829184e-04 2.33911757e-05 -2.33911754e-05] [ 9.03829184e-04 -2.33911752e-05 -2.33911753e-05] [ 9.03829184e-04 2.33911756e-05 -2.33911754e-05] [-9.03829184e-04 -2.33911753e-05 -2.33911753e-05] [ 9.03829184e-04 -2.33911751e-05 2.33911750e-05] [-9.03829184e-04 2.33911756e-05 2.33911753e-05] [ 9.76996262e-14 -4.42534898e-13 3.84664522e-13] [-3.81110941e-13 1.16547849e-13 -1.24310757e-13] [ 4.01900735e-14 -3.19238859e-04 -3.19238859e-04] [-4.56648608e-14 3.19238859e-04 -3.19238859e-04] [ 4.23550084e-14 -3.19238859e-04 3.19238859e-04] [ 1.22802810e-13 3.19238859e-04 3.19238859e-04] [-1.06038179e-04 -8.28226376e-14 6.59339698e-04] [-1.06038179e-04 -1.02738998e-13 -6.59339699e-04] [ 1.06038178e-04 -2.35427997e-13 6.59339698e-04] [ 1.06038179e-04 1.57859836e-14 -6.59339699e-04] [-1.06038179e-04 6.59339698e-04 3.55271368e-14] [ 1.06038179e-04 6.59339699e-04 1.51023291e-13] [-1.06038179e-04 -6.59339698e-04 -1.74422976e-13] [ 1.06038179e-04 -6.59339698e-04 2.97348951e-14] [-6.87011212e-14 -3.19238859e-04 -3.19238859e-04] [ 3.44551210e-13 3.19238859e-04 -3.19238859e-04] [ 2.25743469e-13 -3.19238859e-04 3.19238860e-04] [ 1.25237060e-13 3.19238858e-04 3.19238859e-04] [-1.06038179e-04 7.92328402e-15 6.59339699e-04] [-1.06038179e-04 -2.21689420e-13 -6.59339699e-04] [ 1.06038178e-04 -1.15845267e-13 6.59339698e-04] [ 1.06038179e-04 -1.82108668e-13 -6.59339699e-04] [-1.06038179e-04 6.59339699e-04 2.19452208e-14] [ 1.06038179e-04 6.59339698e-04 3.80333291e-13] [-1.06038179e-04 -6.59339699e-04 1.29984165e-13] [ 1.06038179e-04 -6.59339699e-04 1.66605011e-13]] Final stress: [ 1.40589414e-04 3.36865657e-05 3.36865657e-05 -5.48475451e-17 3.78946675e-16 1.13019184e-16] Minimization converged after 36 steps. Minimization converged after 36 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 8.76223053e-06 5.47712917e-14 3.59360978e-14] [-8.76223048e-06 1.05054854e-13 -2.44804177e-14] [ 7.77420663e-14 -1.07359196e-03 -3.40704027e-14] [ 5.18751708e-14 1.07359196e-03 -2.12330153e-14] [ 4.94396191e-14 7.15573434e-15 -1.07359196e-03] [ 5.41233725e-14 -7.49400542e-14 1.07359196e-03] [ 8.76223085e-06 2.70742630e-14 9.98395027e-16] [-8.76223062e-06 1.27697332e-14 8.68942713e-15] [-5.17307551e-14 -1.07359196e-03 -2.30263360e-14] [-9.45988080e-15 1.07359196e-03 -4.52907118e-14] [-8.40907205e-16 -3.92730301e-14 -1.07359196e-03] [-3.94328667e-14 -8.78554057e-15 1.07359196e-03] [-6.01683818e-04 -5.79746589e-05 -5.79746589e-05] [ 6.01683818e-04 5.79746590e-05 -5.79746591e-05] [ 6.01683818e-04 -5.79746590e-05 5.79746590e-05] [-6.01683818e-04 5.79746590e-05 5.79746590e-05] [-6.01683817e-04 -5.79746589e-05 5.79746589e-05] [ 6.01683818e-04 5.79746589e-05 5.79746591e-05] [-6.01683817e-04 5.79746589e-05 -5.79746589e-05] [ 6.01683818e-04 -5.79746590e-05 -5.79746590e-05] [-6.01683818e-04 -5.79746591e-05 -5.79746590e-05] [ 6.01683818e-04 5.79746589e-05 -5.79746588e-05] [ 6.01683817e-04 -5.79746589e-05 5.79746589e-05] [-6.01683818e-04 5.79746590e-05 5.79746590e-05] [-6.01683818e-04 -5.79746591e-05 5.79746589e-05] [ 6.01683818e-04 5.79746589e-05 5.79746589e-05] [-6.01683818e-04 5.79746590e-05 -5.79746589e-05] [ 6.01683818e-04 -5.79746590e-05 -5.79746590e-05] [ 1.89848137e-13 5.63993297e-14 8.88455975e-14] [-2.66989555e-13 -4.44418723e-14 5.47181567e-14] [-8.45989945e-14 1.13482527e-04 1.13482528e-04] [-1.35821909e-13 -1.13482528e-04 1.13482528e-04] [-5.88591675e-14 1.13482527e-04 -1.13482528e-04] [-8.04564748e-14 -1.13482528e-04 -1.13482528e-04] [-2.25433300e-04 5.95079541e-14 -4.34199683e-04] [-2.25433300e-04 2.46261345e-14 4.34199683e-04] [ 2.25433300e-04 -8.24635499e-14 -4.34199683e-04] [ 2.25433300e-04 -1.13745818e-14 4.34199683e-04] [-2.25433301e-04 -4.34199682e-04 9.38138456e-14] [ 2.25433301e-04 -4.34199683e-04 7.20448007e-14] [-2.25433300e-04 4.34199683e-04 5.27061034e-14] [ 2.25433300e-04 4.34199683e-04 1.61742147e-13] [-1.20134805e-13 1.13482528e-04 1.13482528e-04] [-1.66719936e-14 -1.13482528e-04 1.13482528e-04] [ 8.19487707e-14 1.13482528e-04 -1.13482528e-04] [-3.32889098e-14 -1.13482528e-04 -1.13482527e-04] [-2.25433300e-04 5.49562430e-14 -4.34199683e-04] [-2.25433300e-04 1.50502007e-13 4.34199683e-04] [ 2.25433300e-04 9.08691525e-15 -4.34199683e-04] [ 2.25433301e-04 7.60277258e-14 4.34199682e-04] [-2.25433300e-04 -4.34199683e-04 -5.32465849e-14] [ 2.25433300e-04 -4.34199683e-04 -5.83453370e-14] [-2.25433300e-04 4.34199683e-04 4.60528222e-14] [ 2.25433300e-04 4.34199683e-04 1.95173738e-14]] Final stress: [-1.20236749e-04 -4.38367778e-05 -4.38367778e-05 1.19737047e-16 9.47918288e-17 -8.81397707e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.75139174e-05 -7.90695634e-14 9.07737427e-15] [ 3.75139172e-05 -1.07025500e-13 -2.40918396e-14] [-3.43123967e-14 1.21779168e-03 2.52126416e-05] [-1.26842981e-14 -1.21779168e-03 -2.52126416e-05] [ 9.07520586e-15 3.15844621e-05 -3.08677988e-05] [ 1.29340982e-14 -3.15844621e-05 3.08677986e-05] [-3.75139173e-05 -7.97495750e-15 -1.37400813e-14] [ 3.75139174e-05 -1.09313600e-14 -7.92625115e-15] [ 7.19780138e-15 1.21779168e-03 2.52126416e-05] [-7.93332414e-15 -1.21779168e-03 -2.52126417e-05] [-1.86686604e-14 3.15844622e-05 -3.08677988e-05] [-5.55987548e-14 -3.15844622e-05 3.08677987e-05] [ 1.14079603e-03 -3.19451028e-04 2.97316239e-04] [ 3.82544611e-04 1.47720318e-04 4.67151087e-04] [ 3.82544611e-04 -1.47720318e-04 -4.67151087e-04] [ 1.14079603e-03 3.19451028e-04 -2.97316239e-04] [-3.82544611e-04 -1.47720318e-04 -4.67151087e-04] [-1.14079603e-03 3.19451029e-04 -2.97316239e-04] [-3.82544611e-04 1.47720318e-04 4.67151087e-04] [-1.14079603e-03 -3.19451028e-04 2.97316239e-04] [ 1.14079603e-03 -3.19451028e-04 2.97316239e-04] [ 3.82544611e-04 1.47720318e-04 4.67151087e-04] [ 3.82544611e-04 -1.47720318e-04 -4.67151087e-04] [ 1.14079603e-03 3.19451029e-04 -2.97316239e-04] [-3.82544611e-04 -1.47720318e-04 -4.67151087e-04] [-1.14079603e-03 3.19451028e-04 -2.97316239e-04] [-3.82544611e-04 1.47720318e-04 4.67151087e-04] [-1.14079603e-03 -3.19451028e-04 2.97316239e-04] [ 1.80244708e-13 -2.16604512e-13 1.27314825e-13] [-8.68619413e-14 -9.66283562e-14 -6.27814272e-14] [ 1.33226763e-15 1.32844329e-03 3.89074480e-04] [-9.45458989e-14 2.14365575e-04 -1.15734761e-03] [-1.54353960e-13 -2.14365575e-04 1.15734761e-03] [ 4.10192713e-14 -1.32844329e-03 -3.89074480e-04] [ 5.76885794e-04 7.90970827e-04 5.76535572e-04] [ 5.76885794e-04 -7.90970827e-04 -5.76535572e-04] [-5.76885794e-04 7.90970827e-04 5.76535572e-04] [-5.76885794e-04 -7.90970827e-04 -5.76535572e-04] [-3.84389003e-04 5.56435566e-04 7.94324233e-04] [ 3.84389003e-04 5.56435566e-04 7.94324233e-04] [-3.84389003e-04 -5.56435566e-04 -7.94324233e-04] [ 3.84389003e-04 -5.56435566e-04 -7.94324233e-04] [ 9.06757308e-14 1.32844329e-03 3.89074480e-04] [ 8.42000081e-14 2.14365575e-04 -1.15734761e-03] [ 6.22796086e-14 -2.14365575e-04 1.15734761e-03] [ 2.30647532e-13 -1.32844329e-03 -3.89074480e-04] [ 5.76885794e-04 7.90970826e-04 5.76535572e-04] [ 5.76885794e-04 -7.90970827e-04 -5.76535572e-04] [-5.76885794e-04 7.90970827e-04 5.76535572e-04] [-5.76885794e-04 -7.90970827e-04 -5.76535572e-04] [-3.84389003e-04 5.56435566e-04 7.94324233e-04] [ 3.84389003e-04 5.56435566e-04 7.94324233e-04] [-3.84389003e-04 -5.56435566e-04 -7.94324233e-04] [ 3.84389003e-04 -5.56435566e-04 -7.94324233e-04]] Final stress: [ 5.89607193e-05 -2.71027054e-05 5.89999173e-05 6.75947842e-05 6.81538373e-17 -1.49605984e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.60714189e-05 -3.07020034e-14 -1.86487110e-14] [ 3.60714186e-05 2.84217094e-14 -4.60742555e-14] [ 4.48478060e-14 1.21318678e-03 -2.62874722e-05] [ 5.27633492e-14 -1.21318678e-03 2.62874722e-05] [ 6.73766598e-15 -3.26389141e-05 -2.94594606e-05] [ 3.49165141e-14 3.26389140e-05 2.94594602e-05] [-3.60714187e-05 4.91013480e-15 -1.21650570e-14] [ 3.60714189e-05 9.29551575e-15 8.03954202e-15] [ 2.09806131e-14 1.21318678e-03 -2.62874723e-05] [-1.69608251e-14 -1.21318678e-03 2.62874723e-05] [-7.04553603e-14 -3.26389140e-05 -2.94594604e-05] [-5.80069846e-14 3.26389140e-05 2.94594605e-05] [-3.82024688e-04 -1.47590377e-04 4.65328050e-04] [-1.13728463e-03 3.18704198e-04 2.96117395e-04] [-1.13728463e-03 -3.18704198e-04 -2.96117395e-04] [-3.82024688e-04 1.47590377e-04 -4.65328051e-04] [ 1.13728463e-03 -3.18704198e-04 -2.96117396e-04] [ 3.82024688e-04 1.47590377e-04 -4.65328050e-04] [ 1.13728463e-03 3.18704198e-04 2.96117396e-04] [ 3.82024688e-04 -1.47590377e-04 4.65328050e-04] [-3.82024688e-04 -1.47590377e-04 4.65328050e-04] [-1.13728463e-03 3.18704198e-04 2.96117396e-04] [-1.13728463e-03 -3.18704198e-04 -2.96117396e-04] [-3.82024688e-04 1.47590377e-04 -4.65328050e-04] [ 1.13728463e-03 -3.18704198e-04 -2.96117396e-04] [ 3.82024688e-04 1.47590377e-04 -4.65328051e-04] [ 1.13728463e-03 3.18704198e-04 2.96117396e-04] [ 3.82024688e-04 -1.47590377e-04 4.65328051e-04] [ 2.30593322e-13 -3.12805337e-14 3.84470233e-13] [-2.62940277e-13 -5.57285461e-14 -1.06755895e-13] [-1.59317004e-13 -2.23781835e-04 -1.14477380e-03] [ 5.49959384e-14 -1.31343074e-03 3.96121968e-04] [-5.50861440e-14 1.31343074e-03 -3.96121968e-04] [-1.90247124e-14 2.23781835e-04 1.14477380e-03] [ 5.75325650e-04 -7.86840303e-04 5.74981305e-04] [ 5.75325650e-04 7.86840303e-04 -5.74981305e-04] [-5.75325650e-04 -7.86840303e-04 5.74981305e-04] [-5.75325650e-04 7.86840303e-04 -5.74981305e-04] [-3.74578778e-04 5.44226699e-04 -7.90215123e-04] [ 3.74578778e-04 5.44226698e-04 -7.90215123e-04] [-3.74578777e-04 -5.44226698e-04 7.90215123e-04] [ 3.74578777e-04 -5.44226698e-04 7.90215123e-04] [ 8.20949211e-14 -2.23781835e-04 -1.14477380e-03] [ 1.72139213e-13 -1.31343074e-03 3.96121969e-04] [ 2.21035863e-13 1.31343074e-03 -3.96121969e-04] [ 3.03082646e-13 2.23781835e-04 1.14477380e-03] [ 5.75325650e-04 -7.86840303e-04 5.74981305e-04] [ 5.75325650e-04 7.86840303e-04 -5.74981305e-04] [-5.75325650e-04 -7.86840303e-04 5.74981305e-04] [-5.75325650e-04 7.86840303e-04 -5.74981305e-04] [-3.74578778e-04 5.44226698e-04 -7.90215123e-04] [ 3.74578778e-04 5.44226698e-04 -7.90215123e-04] [-3.74578778e-04 -5.44226698e-04 7.90215124e-04] [ 3.74578778e-04 -5.44226699e-04 7.90215123e-04]] Final stress: [ 5.89226587e-05 -2.69072823e-05 5.89616309e-05 -6.76065456e-05 1.16360210e-17 -1.21347076e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.50273386e-05 -7.22468960e-15 1.54394726e-14] [ 7.50273386e-05 1.50712776e-14 2.10664819e-14] [ 2.81198675e-15 -6.33470748e-04 -1.77450828e-04] [ 5.77315973e-15 6.33470748e-04 1.77450828e-04] [ 8.24730909e-15 -1.81046193e-04 -7.32773603e-05] [ 5.27355937e-15 1.81046193e-04 7.32773603e-05] [-7.50273386e-05 -3.90312782e-17 1.31687398e-14] [ 7.50273386e-05 1.05709712e-14 -2.38321328e-15] [-1.48375236e-14 -6.33470748e-04 -1.77450828e-04] [-2.09159946e-14 6.33470748e-04 1.77450828e-04] [-1.41722571e-14 -1.81046193e-04 -7.32773603e-05] [-4.11389672e-15 1.81046193e-04 7.32773603e-05] [ 1.20795634e-04 2.32006605e-04 -1.36289945e-04] [ 5.00103015e-04 -1.25633728e-04 -2.41281739e-04] [ 5.00103015e-04 1.25633728e-04 2.41281739e-04] [ 1.20795634e-04 -2.32006605e-04 1.36289945e-04] [-5.00103015e-04 1.25633728e-04 2.41281739e-04] [-1.20795634e-04 -2.32006605e-04 1.36289945e-04] [-5.00103015e-04 -1.25633728e-04 -2.41281739e-04] [-1.20795634e-04 2.32006605e-04 -1.36289945e-04] [ 1.20795634e-04 2.32006605e-04 -1.36289945e-04] [ 5.00103015e-04 -1.25633728e-04 -2.41281739e-04] [ 5.00103015e-04 1.25633728e-04 2.41281739e-04] [ 1.20795634e-04 -2.32006605e-04 1.36289945e-04] [-5.00103015e-04 1.25633728e-04 2.41281739e-04] [-1.20795634e-04 -2.32006605e-04 1.36289945e-04] [-5.00103015e-04 -1.25633728e-04 -2.41281739e-04] [-1.20795634e-04 2.32006605e-04 -1.36289945e-04] [ 4.76563233e-14 2.11775042e-14 6.21169782e-14] [-1.61129790e-14 4.07463635e-15 7.98800578e-15] [ 2.44249065e-14 3.33496790e-04 5.42190632e-04] [-1.27745037e-14 5.21192474e-04 -3.10755900e-04] [ 7.00620117e-14 -5.21192474e-04 3.10755900e-04] [ 8.06299472e-15 -3.33496790e-04 -5.42190632e-04] [-3.18952179e-04 2.08641659e-04 -3.19204095e-04] [-3.18952179e-04 -2.08641659e-04 3.19204095e-04] [ 3.18952179e-04 2.08641659e-04 -3.19204095e-04] [ 3.18952179e-04 -2.08641659e-04 3.19204095e-04] [ 1.15666417e-04 -9.41534543e-05 2.05953564e-04] [-1.15666417e-04 -9.41534544e-05 2.05953564e-04] [ 1.15666417e-04 9.41534543e-05 -2.05953564e-04] [-1.15666417e-04 9.41534544e-05 -2.05953564e-04] [ 2.85214560e-14 3.33496790e-04 5.42190632e-04] [ 4.65959736e-14 5.21192474e-04 -3.10755899e-04] [ 2.01878445e-14 -5.21192474e-04 3.10755899e-04] [ 1.64902814e-14 -3.33496790e-04 -5.42190632e-04] [-3.18952179e-04 2.08641659e-04 -3.19204096e-04] [-3.18952179e-04 -2.08641659e-04 3.19204096e-04] [ 3.18952179e-04 2.08641659e-04 -3.19204096e-04] [ 3.18952179e-04 -2.08641659e-04 3.19204096e-04] [ 1.15666417e-04 -9.41534542e-05 2.05953564e-04] [-1.15666417e-04 -9.41534542e-05 2.05953564e-04] [ 1.15666417e-04 9.41534542e-05 -2.05953564e-04] [-1.15666417e-04 9.41534543e-05 -2.05953564e-04]] Final stress: [-5.50721962e-05 4.15718434e-06 -5.50577025e-05 6.57539619e-05 -0.00000000e+00 -5.48714950e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.51875896e-05 -1.03909936e-14 1.07396730e-14] [ 7.51875895e-05 -2.58126853e-15 7.13318293e-15] [ 4.37106948e-15 -6.33360476e-04 1.78165643e-04] [-5.55111512e-17 6.33360476e-04 -1.78165643e-04] [ 2.98372438e-16 1.81761336e-04 -7.34400276e-05] [ 2.52853294e-14 -1.81761336e-04 7.34400275e-05] [-7.51875896e-05 1.03940294e-14 3.06472487e-15] [ 7.51875896e-05 1.86526142e-15 4.71615642e-15] [-2.69836237e-15 -6.33360476e-04 1.78165643e-04] [ 1.12752689e-14 6.33360476e-04 -1.78165643e-04] [-1.39792691e-14 1.81761336e-04 -7.34400275e-05] [-2.04554255e-14 -1.81761336e-04 7.34400275e-05] [-4.99675595e-04 1.25353032e-04 -2.41531798e-04] [-1.20405540e-04 -2.32259105e-04 -1.36005150e-04] [-1.20405540e-04 2.32259105e-04 1.36005150e-04] [-4.99675595e-04 -1.25353032e-04 2.41531798e-04] [ 1.20405540e-04 2.32259105e-04 1.36005150e-04] [ 4.99675595e-04 -1.25353032e-04 2.41531798e-04] [ 1.20405540e-04 -2.32259105e-04 -1.36005150e-04] [ 4.99675595e-04 1.25353032e-04 -2.41531798e-04] [-4.99675595e-04 1.25353032e-04 -2.41531798e-04] [-1.20405540e-04 -2.32259105e-04 -1.36005150e-04] [-1.20405540e-04 2.32259105e-04 1.36005150e-04] [-4.99675595e-04 -1.25353032e-04 2.41531798e-04] [ 1.20405540e-04 2.32259105e-04 1.36005150e-04] [ 4.99675595e-04 -1.25353032e-04 2.41531798e-04] [ 1.20405540e-04 -2.32259105e-04 -1.36005150e-04] [ 4.99675595e-04 1.25353032e-04 -2.41531798e-04] [ 9.58122470e-14 -1.10189635e-14 5.34294831e-14] [-7.14575968e-15 -3.23693018e-14 2.33758573e-15] [-1.46549439e-14 -5.20619670e-04 -3.11618189e-04] [ 3.78395232e-14 -3.34336229e-04 5.41595062e-04] [-1.69309011e-15 3.34336229e-04 -5.41595062e-04] [ 1.26704203e-14 5.20619670e-04 3.11618189e-04] [-3.19056077e-04 -2.08267211e-04 -3.19307149e-04] [-3.19056077e-04 2.08267211e-04 3.19307149e-04] [ 3.19056077e-04 -2.08267211e-04 -3.19307149e-04] [ 3.19056077e-04 2.08267211e-04 3.19307149e-04] [ 1.14936829e-04 -9.34471461e-05 -2.05579449e-04] [-1.14936829e-04 -9.34471460e-05 -2.05579449e-04] [ 1.14936829e-04 9.34471460e-05 2.05579449e-04] [-1.14936829e-04 9.34471461e-05 2.05579449e-04] [ 1.20303073e-14 -5.20619670e-04 -3.11618189e-04] [-3.94463108e-14 -3.34336229e-04 5.41595062e-04] [ 4.60803271e-14 3.34336229e-04 -5.41595062e-04] [-9.67802227e-15 5.20619670e-04 3.11618189e-04] [-3.19056077e-04 -2.08267212e-04 -3.19307149e-04] [-3.19056077e-04 2.08267211e-04 3.19307149e-04] [ 3.19056077e-04 -2.08267211e-04 -3.19307149e-04] [ 3.19056077e-04 2.08267212e-04 3.19307149e-04] [ 1.14936828e-04 -9.34471459e-05 -2.05579449e-04] [-1.14936829e-04 -9.34471459e-05 -2.05579449e-04] [ 1.14936829e-04 9.34471459e-05 2.05579449e-04] [-1.14936829e-04 9.34471459e-05 2.05579449e-04]] Final stress: [-5.50693383e-05 4.15444725e-06 -5.50548401e-05 -6.57462572e-05 -2.32788161e-17 9.97663545e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.58494995e-05 -5.22108398e-15 3.03308776e-05] [ 3.58494993e-05 6.48925358e-14 -3.03308775e-05] [-3.72280332e-14 1.20822166e-03 -4.58157817e-14] [ 1.98174810e-14 -1.20822166e-03 -5.97022431e-14] [ 3.03308776e-05 -2.92799639e-14 -3.58494995e-05] [-3.03308775e-05 -3.71369602e-14 3.58494993e-05] [-3.58494993e-05 5.18912170e-14 3.03308775e-05] [ 3.58494996e-05 6.14326298e-14 -3.03308776e-05] [-4.52025570e-15 1.20822166e-03 -1.68183234e-14] [-1.17302001e-14 -1.20822166e-03 -1.72002680e-14] [ 3.03308775e-05 -5.91900432e-14 -3.58494994e-05] [-3.03308776e-05 -2.52948032e-14 3.58494994e-05] [ 2.94231914e-04 5.29701225e-04 2.94231914e-04] [-4.69358685e-04 1.00144129e-03 4.69358685e-04] [-2.94231914e-04 5.29701225e-04 -2.94231914e-04] [ 4.69358685e-04 1.00144129e-03 -4.69358685e-04] [ 4.69358685e-04 -1.00144129e-03 -4.69358685e-04] [-2.94231914e-04 -5.29701225e-04 -2.94231914e-04] [ 2.94231914e-04 -5.29701225e-04 2.94231914e-04] [-4.69358685e-04 -1.00144129e-03 4.69358685e-04] [ 2.94231914e-04 5.29701225e-04 2.94231914e-04] [-4.69358685e-04 1.00144129e-03 4.69358685e-04] [-2.94231914e-04 5.29701225e-04 -2.94231914e-04] [ 4.69358685e-04 1.00144129e-03 -4.69358685e-04] [ 4.69358685e-04 -1.00144129e-03 -4.69358685e-04] [-2.94231914e-04 -5.29701225e-04 -2.94231914e-04] [ 2.94231914e-04 -5.29701225e-04 2.94231914e-04] [-4.69358685e-04 -1.00144129e-03 4.69358685e-04] [ 1.70363723e-13 -1.78468351e-14 1.80966353e-13] [-3.73108228e-13 1.29884648e-14 6.00256378e-14] [ 7.95902750e-04 5.56280719e-04 -3.84494244e-04] [ 7.95902750e-04 -5.56280719e-04 -3.84494244e-04] [-7.95902750e-04 5.56280719e-04 3.84494244e-04] [-7.95902750e-04 -5.56280718e-04 3.84494244e-04] [ 1.34058450e-03 3.21964677e-15 1.34058450e-03] [-1.89626922e-04 1.10937301e-13 1.89626922e-04] [ 1.89626922e-04 2.27474289e-14 -1.89626922e-04] [-1.34058450e-03 8.32146851e-14 -1.34058450e-03] [-3.84494244e-04 5.56280719e-04 7.95902750e-04] [ 3.84494244e-04 5.56280719e-04 -7.95902750e-04] [-3.84494244e-04 -5.56280718e-04 7.95902750e-04] [ 3.84494244e-04 -5.56280718e-04 -7.95902750e-04] [ 7.95902750e-04 5.56280718e-04 -3.84494244e-04] [ 7.95902750e-04 -5.56280719e-04 -3.84494244e-04] [-7.95902750e-04 5.56280718e-04 3.84494244e-04] [-7.95902750e-04 -5.56280719e-04 3.84494244e-04] [ 1.34058450e-03 -4.48454038e-14 1.34058450e-03] [-1.89626922e-04 -1.31266959e-13 1.89626922e-04] [ 1.89626922e-04 -2.28437061e-13 -1.89626922e-04] [-1.34058450e-03 -1.94971643e-13 -1.34058450e-03] [-3.84494244e-04 5.56280719e-04 7.95902750e-04] [ 3.84494244e-04 5.56280719e-04 -7.95902750e-04] [-3.84494244e-04 -5.56280719e-04 7.95902750e-04] [ 3.84494244e-04 -5.56280719e-04 -7.95902750e-04]] Final stress: [ 5.89898648e-05 -2.70664220e-05 5.89898648e-05 2.82589082e-17 6.77184007e-05 -1.99474646e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.68982219e-05 -3.54230534e-15 -2.95712647e-05] [ 3.68982217e-05 1.94289029e-14 2.95712648e-05] [-3.54273902e-15 1.20862036e-03 -1.71885076e-14] [ 1.04916076e-14 -1.20862036e-03 -2.90323321e-14] [-2.95712648e-05 -3.15290329e-14 -3.68982218e-05] [ 2.95712648e-05 2.37587727e-14 3.68982217e-05] [-3.68982217e-05 1.20589302e-14 -2.95712648e-05] [ 3.68982218e-05 4.29344060e-17 2.95712648e-05] [ 9.35666475e-15 1.20862036e-03 -1.52498823e-14] [ 2.53976527e-14 -1.20862036e-03 1.56285100e-14] [-2.95712649e-05 -3.44057061e-15 -3.68982218e-05] [ 2.95712647e-05 4.01323236e-15 3.68982217e-05] [ 4.69821341e-04 -1.00110725e-03 4.69821341e-04] [-2.94413365e-04 -5.29572402e-04 2.94413365e-04] [-4.69821341e-04 -1.00110725e-03 -4.69821341e-04] [ 2.94413365e-04 -5.29572402e-04 -2.94413365e-04] [ 2.94413365e-04 5.29572402e-04 -2.94413365e-04] [-4.69821341e-04 1.00110725e-03 -4.69821341e-04] [ 4.69821341e-04 1.00110725e-03 4.69821341e-04] [-2.94413365e-04 5.29572402e-04 2.94413365e-04] [ 4.69821341e-04 -1.00110725e-03 4.69821341e-04] [-2.94413365e-04 -5.29572402e-04 2.94413365e-04] [-4.69821341e-04 -1.00110725e-03 -4.69821341e-04] [ 2.94413365e-04 -5.29572402e-04 -2.94413365e-04] [ 2.94413365e-04 5.29572402e-04 -2.94413365e-04] [-4.69821341e-04 1.00110725e-03 -4.69821341e-04] [ 4.69821341e-04 1.00110725e-03 4.69821341e-04] [-2.94413365e-04 5.29572402e-04 2.94413365e-04] [ 3.89965837e-14 -1.36446410e-13 2.86159985e-14] [-4.11723607e-14 1.66654033e-13 1.62939852e-13] [-7.97179936e-04 5.57723940e-04 -3.85158994e-04] [-7.97179936e-04 -5.57723940e-04 -3.85158994e-04] [ 7.97179936e-04 5.57723939e-04 3.85158994e-04] [ 7.97179936e-04 -5.57723939e-04 3.85158994e-04] [-1.89388151e-04 3.99680289e-14 -1.89388150e-04] [ 1.34126530e-03 1.06128648e-13 -1.34126531e-03] [-1.34126531e-03 -1.17093835e-14 1.34126530e-03] [ 1.89388150e-04 -5.04596365e-14 1.89388150e-04] [-3.85158994e-04 5.57723940e-04 -7.97179936e-04] [ 3.85158994e-04 5.57723939e-04 7.97179936e-04] [-3.85158994e-04 -5.57723940e-04 -7.97179936e-04] [ 3.85158994e-04 -5.57723939e-04 7.97179936e-04] [-7.97179936e-04 5.57723939e-04 -3.85158994e-04] [-7.97179936e-04 -5.57723940e-04 -3.85158994e-04] [ 7.97179936e-04 5.57723939e-04 3.85158994e-04] [ 7.97179936e-04 -5.57723940e-04 3.85158994e-04] [-1.89388150e-04 -6.09876732e-14 -1.89388150e-04] [ 1.34126531e-03 -7.54355346e-14 -1.34126530e-03] [-1.34126530e-03 -1.98508310e-13 1.34126531e-03] [ 1.89388150e-04 -3.89358684e-14 1.89388150e-04] [-3.85158994e-04 5.57723939e-04 -7.97179936e-04] [ 3.85158994e-04 5.57723940e-04 7.97179936e-04] [-3.85158994e-04 -5.57723939e-04 -7.97179936e-04] [ 3.85158994e-04 -5.57723940e-04 7.97179936e-04]] Final stress: [ 5.89911261e-05 -2.71022187e-05 5.89911261e-05 -1.19684788e-16 -6.77108374e-05 -1.66228872e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.32060493e-05 -4.45780565e-15 -1.79675782e-04] [ 7.32060492e-05 -1.95954364e-14 1.79675782e-04] [-1.73702198e-14 -6.34732399e-04 1.04391322e-14] [-2.63677968e-15 6.34732398e-04 9.74220704e-15] [-1.79675782e-04 -8.80892581e-15 -7.32060493e-05] [ 1.79675782e-04 -1.98729921e-14 7.32060492e-05] [-7.32060492e-05 -1.00960906e-14 -1.79675782e-04] [ 7.32060493e-05 6.56419363e-15 1.79675782e-04] [ 1.34848729e-14 -6.34732399e-04 3.07202185e-15] [-8.70397504e-16 6.34732398e-04 1.32555426e-15] [-1.79675782e-04 1.43826591e-15 -7.32060492e-05] [ 1.79675782e-04 -5.78422697e-15 7.32060493e-05] [-1.36249658e-04 4.86814075e-04 -1.36249658e-04] [ 2.41335005e-04 1.31226495e-04 -2.41335005e-04] [ 1.36249658e-04 4.86814075e-04 1.36249658e-04] [-2.41335005e-04 1.31226495e-04 2.41335005e-04] [-2.41335005e-04 -1.31226495e-04 2.41335005e-04] [ 1.36249658e-04 -4.86814075e-04 1.36249658e-04] [-1.36249658e-04 -4.86814075e-04 -1.36249658e-04] [ 2.41335005e-04 -1.31226495e-04 -2.41335005e-04] [-1.36249658e-04 4.86814075e-04 -1.36249658e-04] [ 2.41335005e-04 1.31226495e-04 -2.41335005e-04] [ 1.36249658e-04 4.86814075e-04 1.36249658e-04] [-2.41335005e-04 1.31226495e-04 2.41335005e-04] [-2.41335005e-04 -1.31226495e-04 2.41335005e-04] [ 1.36249658e-04 -4.86814075e-04 1.36249658e-04] [-1.36249658e-04 -4.86814075e-04 -1.36249658e-04] [ 2.41335005e-04 -1.31226495e-04 -2.41335005e-04] [ 8.71525074e-15 -4.44089210e-15 8.06021916e-14] [-6.23212419e-14 5.25479871e-14 -5.27994049e-14] [ 2.07238688e-04 -9.03061916e-05 1.11668735e-04] [ 2.07238688e-04 9.03061916e-05 1.11668735e-04] [-2.07238688e-04 -9.03061917e-05 -1.11668735e-04] [-2.07238688e-04 9.03061917e-05 -1.11668735e-04] [ 1.08027389e-04 -2.27595720e-14 1.08027389e-04] [-7.46722877e-04 1.78902032e-14 7.46722877e-04] [ 7.46722877e-04 -2.03656536e-15 -7.46722877e-04] [-1.08027389e-04 1.66915093e-14 -1.08027389e-04] [ 1.11668735e-04 -9.03061915e-05 2.07238688e-04] [-1.11668735e-04 -9.03061916e-05 -2.07238688e-04] [ 1.11668735e-04 9.03061915e-05 2.07238688e-04] [-1.11668735e-04 9.03061916e-05 -2.07238688e-04] [ 2.07238688e-04 -9.03061916e-05 1.11668735e-04] [ 2.07238688e-04 9.03061915e-05 1.11668735e-04] [-2.07238688e-04 -9.03061915e-05 -1.11668735e-04] [-2.07238688e-04 9.03061915e-05 -1.11668735e-04] [ 1.08027389e-04 3.63418378e-14 1.08027389e-04] [-7.46722877e-04 -2.02492103e-14 7.46722877e-04] [ 7.46722877e-04 -4.61510170e-14 -7.46722877e-04] [-1.08027389e-04 -1.69191917e-14 -1.08027389e-04] [ 1.11668735e-04 -9.03061917e-05 2.07238688e-04] [-1.11668735e-04 -9.03061916e-05 -2.07238688e-04] [ 1.11668735e-04 9.03061917e-05 2.07238688e-04] [-1.11668735e-04 9.03061916e-05 -2.07238688e-04]] Final stress: [-5.50457663e-05 4.13495634e-06 -5.50457663e-05 3.65809967e-17 6.57317022e-05 -0.00000000e+00] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.23597757e-05 -9.37314462e-15 1.76709650e-04] [ 7.23597757e-05 2.13717932e-15 -1.76709650e-04] [ 1.38335524e-14 -6.35441763e-04 3.36146042e-15] [ 2.12330153e-14 6.35441763e-04 9.49240686e-15] [ 1.76709650e-04 -1.06806924e-14 -7.23597756e-05] [-1.76709650e-04 -3.99680289e-15 7.23597756e-05] [-7.23597757e-05 -5.65346381e-15 1.76709650e-04] [ 7.23597756e-05 -8.05388742e-15 -1.76709650e-04] [-9.38442032e-15 -6.35441763e-04 -1.08490657e-14] [-9.10859929e-15 6.35441763e-04 -2.05005828e-14] [ 1.76709650e-04 -2.40989126e-15 -7.23597757e-05] [-1.76709650e-04 4.92981390e-15 7.23597757e-05] [-2.40315623e-04 -1.32850320e-04 -2.40315623e-04] [ 1.37480953e-04 -4.88660314e-04 -1.37480953e-04] [ 2.40315623e-04 -1.32850320e-04 2.40315623e-04] [-1.37480953e-04 -4.88660314e-04 1.37480953e-04] [-1.37480953e-04 4.88660314e-04 1.37480953e-04] [ 2.40315623e-04 1.32850320e-04 2.40315623e-04] [-2.40315623e-04 1.32850320e-04 -2.40315623e-04] [ 1.37480953e-04 4.88660314e-04 -1.37480953e-04] [-2.40315623e-04 -1.32850320e-04 -2.40315623e-04] [ 1.37480953e-04 -4.88660314e-04 -1.37480953e-04] [ 2.40315623e-04 -1.32850320e-04 2.40315623e-04] [-1.37480953e-04 -4.88660314e-04 1.37480953e-04] [-1.37480953e-04 4.88660314e-04 1.37480953e-04] [ 2.40315623e-04 1.32850320e-04 2.40315623e-04] [-2.40315623e-04 1.32850320e-04 -2.40315623e-04] [ 1.37480953e-04 4.88660314e-04 -1.37480953e-04] [ 2.04836148e-14 -2.53685961e-14 2.89490654e-14] [-1.02014751e-14 8.81622202e-15 -5.21850410e-14] [-2.08916382e-04 -9.61629847e-05 1.17450134e-04] [-2.08916382e-04 9.61629847e-05 1.17450134e-04] [ 2.08916382e-04 -9.61629847e-05 -1.17450134e-04] [ 2.08916382e-04 9.61629847e-05 -1.17450134e-04] [-7.45555593e-04 9.88098492e-15 -7.45555593e-04] [ 1.08076630e-04 1.77566295e-14 -1.08076630e-04] [-1.08076630e-04 1.38361544e-14 1.08076630e-04] [ 7.45555593e-04 3.46181417e-14 7.45555593e-04] [ 1.17450133e-04 -9.61629846e-05 -2.08916382e-04] [-1.17450133e-04 -9.61629846e-05 2.08916382e-04] [ 1.17450134e-04 9.61629847e-05 -2.08916382e-04] [-1.17450134e-04 9.61629847e-05 2.08916382e-04] [-2.08916382e-04 -9.61629847e-05 1.17450134e-04] [-2.08916382e-04 9.61629846e-05 1.17450133e-04] [ 2.08916382e-04 -9.61629846e-05 -1.17450134e-04] [ 2.08916382e-04 9.61629846e-05 -1.17450134e-04] [-7.45555593e-04 -2.36654201e-14 -7.45555593e-04] [ 1.08076630e-04 -3.16396215e-14 -1.08076630e-04] [-1.08076630e-04 -3.17905424e-14 1.08076630e-04] [ 7.45555593e-04 -4.79295423e-14 7.45555593e-04] [ 1.17450134e-04 -9.61629847e-05 -2.08916382e-04] [-1.17450134e-04 -9.61629847e-05 2.08916382e-04] [ 1.17450134e-04 9.61629847e-05 -2.08916382e-04] [-1.17450134e-04 9.61629847e-05 2.08916382e-04]] Final stress: [-5.50628508e-05 4.15652910e-06 -5.50628508e-05 1.33021806e-17 -6.57638414e-05 -1.66277258e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.08677997e-05 3.15844614e-05 -1.60461922e-17] [ 3.08677997e-05 -3.15844615e-05 1.80411242e-14] [ 2.52126408e-05 1.21779168e-03 2.64241753e-14] [-2.52126407e-05 -1.21779168e-03 4.46864767e-14] [ 4.06567141e-14 1.80497978e-15 -3.75139185e-05] [ 9.47575352e-14 -3.00037772e-14 3.75139183e-05] [-3.08677998e-05 3.15844614e-05 -9.78158853e-16] [ 3.08677999e-05 -3.15844613e-05 -1.05194331e-14] [ 2.52126408e-05 1.21779168e-03 -3.82753227e-15] [-2.52126409e-05 -1.21779168e-03 -2.14002694e-14] [-3.54195839e-14 4.26317953e-14 -3.75139185e-05] [-3.69405027e-14 -2.49237943e-14 3.75139185e-05] [ 2.97316239e-04 -3.19451028e-04 1.14079603e-03] [-2.97316239e-04 3.19451029e-04 1.14079603e-03] [-4.67151087e-04 -1.47720318e-04 3.82544610e-04] [ 4.67151087e-04 1.47720318e-04 3.82544610e-04] [ 2.97316239e-04 -3.19451028e-04 -1.14079603e-03] [-2.97316239e-04 3.19451028e-04 -1.14079603e-03] [ 4.67151087e-04 1.47720318e-04 -3.82544610e-04] [-4.67151087e-04 -1.47720318e-04 -3.82544610e-04] [ 2.97316239e-04 -3.19451029e-04 1.14079603e-03] [-2.97316239e-04 3.19451028e-04 1.14079603e-03] [-4.67151087e-04 -1.47720318e-04 3.82544610e-04] [ 4.67151087e-04 1.47720318e-04 3.82544610e-04] [ 2.97316239e-04 -3.19451028e-04 -1.14079603e-03] [-2.97316239e-04 3.19451028e-04 -1.14079603e-03] [ 4.67151087e-04 1.47720318e-04 -3.82544610e-04] [-4.67151087e-04 -1.47720318e-04 -3.82544610e-04] [ 1.65312208e-13 -1.32949207e-14 2.96512814e-13] [-2.68579430e-13 -2.03130330e-14 -5.56906938e-14] [ 7.94324234e-04 5.56435567e-04 -3.84389004e-04] [-7.94324234e-04 -5.56435567e-04 -3.84389004e-04] [ 7.94324234e-04 5.56435567e-04 3.84389004e-04] [-7.94324234e-04 -5.56435567e-04 3.84389004e-04] [ 5.76535573e-04 7.90970828e-04 5.76885794e-04] [ 5.76535572e-04 7.90970828e-04 -5.76885794e-04] [-5.76535573e-04 -7.90970828e-04 5.76885794e-04] [-5.76535572e-04 -7.90970828e-04 -5.76885794e-04] [ 3.89074479e-04 1.32844329e-03 -3.54161145e-14] [ 1.15734761e-03 -2.14365574e-04 -3.94580202e-14] [-1.15734761e-03 2.14365574e-04 9.40081346e-14] [-3.89074479e-04 -1.32844329e-03 3.64725611e-14] [ 7.94324234e-04 5.56435568e-04 -3.84389004e-04] [-7.94324234e-04 -5.56435567e-04 -3.84389004e-04] [ 7.94324234e-04 5.56435568e-04 3.84389004e-04] [-7.94324234e-04 -5.56435568e-04 3.84389004e-04] [ 5.76535572e-04 7.90970828e-04 5.76885795e-04] [ 5.76535572e-04 7.90970828e-04 -5.76885795e-04] [-5.76535572e-04 -7.90970828e-04 5.76885795e-04] [-5.76535572e-04 -7.90970828e-04 -5.76885795e-04] [ 3.89074480e-04 1.32844329e-03 8.52954437e-14] [ 1.15734761e-03 -2.14365574e-04 8.51474110e-15] [-1.15734761e-03 2.14365574e-04 2.31698473e-13] [-3.89074480e-04 -1.32844329e-03 3.29467356e-15]] Final stress: [ 5.89999173e-05 -2.71027054e-05 5.89607193e-05 4.82063728e-17 -1.32983097e-17 6.75947842e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.72974391e-05 -3.39473526e-05 5.22524732e-14] [ 2.72974391e-05 3.39473526e-05 2.58126853e-14] [-2.75834943e-05 1.21685864e-03 -2.32027939e-14] [ 2.75834944e-05 -1.21685864e-03 -2.16493490e-14] [-1.23638079e-14 -1.63168090e-14 -3.39193645e-05] [ 7.16093851e-15 -1.93178806e-14 3.39193642e-05] [-2.72974389e-05 -3.39473525e-05 2.42603838e-14] [ 2.72974390e-05 3.39473526e-05 9.91294161e-15] [-2.75834944e-05 1.21685864e-03 -7.30946059e-15] [ 2.75834943e-05 -1.21685864e-03 -4.77576589e-15] [ 1.79804088e-15 -1.79862993e-14 -3.39193644e-05] [ 4.16593843e-15 -1.41642824e-15 3.39193644e-05] [ 4.65688223e-04 -1.48635554e-04 -3.84453214e-04] [-4.65688223e-04 1.48635554e-04 -3.84453214e-04] [-2.96889142e-04 -3.19344733e-04 -1.14083507e-03] [ 2.96889142e-04 3.19344733e-04 -1.14083507e-03] [ 4.65688223e-04 -1.48635554e-04 3.84453214e-04] [-4.65688223e-04 1.48635554e-04 3.84453214e-04] [ 2.96889142e-04 3.19344733e-04 1.14083507e-03] [-2.96889142e-04 -3.19344733e-04 1.14083507e-03] [ 4.65688222e-04 -1.48635554e-04 -3.84453214e-04] [-4.65688223e-04 1.48635554e-04 -3.84453214e-04] [-2.96889142e-04 -3.19344733e-04 -1.14083507e-03] [ 2.96889142e-04 3.19344733e-04 -1.14083507e-03] [ 4.65688222e-04 -1.48635554e-04 3.84453214e-04] [-4.65688223e-04 1.48635554e-04 3.84453214e-04] [ 2.96889142e-04 3.19344733e-04 1.14083507e-03] [-2.96889142e-04 -3.19344733e-04 1.14083507e-03] [ 1.55070401e-13 -8.47377724e-14 1.73416836e-13] [-7.29858882e-14 -8.37041059e-14 -3.83944689e-14] [-7.90262852e-04 5.51807138e-04 -3.82228207e-04] [ 7.90262852e-04 -5.51807138e-04 -3.82228207e-04] [-7.90262852e-04 5.51807137e-04 3.82228207e-04] [ 7.90262852e-04 -5.51807137e-04 3.82228207e-04] [ 5.75213825e-04 -7.86904508e-04 5.75563325e-04] [ 5.75213825e-04 -7.86904508e-04 -5.75563325e-04] [-5.75213825e-04 7.86904508e-04 5.75563325e-04] [-5.75213825e-04 7.86904508e-04 -5.75563325e-04] [-1.15478962e-03 -2.18594648e-04 1.86517468e-13] [-3.90838952e-04 1.32341497e-03 2.46365428e-14] [ 3.90838952e-04 -1.32341497e-03 2.14411822e-15] [ 1.15478962e-03 2.18594648e-04 8.23646706e-15] [-7.90262852e-04 5.51807138e-04 -3.82228207e-04] [ 7.90262852e-04 -5.51807138e-04 -3.82228207e-04] [-7.90262852e-04 5.51807138e-04 3.82228207e-04] [ 7.90262852e-04 -5.51807138e-04 3.82228207e-04] [ 5.75213825e-04 -7.86904508e-04 5.75563325e-04] [ 5.75213825e-04 -7.86904508e-04 -5.75563325e-04] [-5.75213825e-04 7.86904508e-04 5.75563325e-04] [-5.75213825e-04 7.86904508e-04 -5.75563325e-04] [-1.15478962e-03 -2.18594648e-04 2.22550398e-13] [-3.90838952e-04 1.32341497e-03 8.06110414e-15] [ 3.90838952e-04 -1.32341497e-03 1.88868581e-13] [ 1.15478962e-03 2.18594648e-04 1.90887237e-13]] Final stress: [ 5.89981115e-05 -2.69989414e-05 5.89589656e-05 -1.27996231e-16 2.82589082e-17 -6.76183572e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.39358540e-05 -1.81006033e-04 -1.69625598e-14] [ 7.39358539e-05 1.81006033e-04 -8.99280650e-15] [-1.77410125e-04 -6.33900877e-04 -6.05548597e-15] [ 1.77410125e-04 6.33900877e-04 -7.49400542e-15] [ 8.83494666e-15 1.10605969e-14 -7.56825883e-05] [-1.33504319e-14 -5.74540415e-15 7.56825882e-05] [-7.39358540e-05 -1.81006033e-04 1.58743811e-14] [ 7.39358540e-05 1.81006033e-04 -1.11610326e-14] [-1.77410125e-04 -6.33900877e-04 4.18056523e-15] [ 1.77410125e-04 6.33900877e-04 2.70221101e-15] [-8.53137005e-15 -3.02297694e-15 -7.56825882e-05] [-3.38401182e-15 1.84549329e-14 7.56825883e-05] [-1.36032425e-04 2.32414686e-04 1.21096030e-04] [ 1.36032425e-04 -2.32414686e-04 1.21096030e-04] [ 2.41465484e-04 1.25599269e-04 5.00326744e-04] [-2.41465484e-04 -1.25599269e-04 5.00326744e-04] [-1.36032425e-04 2.32414686e-04 -1.21096030e-04] [ 1.36032425e-04 -2.32414686e-04 -1.21096030e-04] [-2.41465484e-04 -1.25599269e-04 -5.00326744e-04] [ 2.41465484e-04 1.25599269e-04 -5.00326744e-04] [-1.36032425e-04 2.32414686e-04 1.21096030e-04] [ 1.36032425e-04 -2.32414686e-04 1.21096030e-04] [ 2.41465484e-04 1.25599269e-04 5.00326744e-04] [-2.41465484e-04 -1.25599269e-04 5.00326744e-04] [-1.36032425e-04 2.32414686e-04 -1.21096030e-04] [ 1.36032425e-04 -2.32414686e-04 -1.21096030e-04] [-2.41465484e-04 -1.25599269e-04 -5.00326744e-04] [ 2.41465484e-04 1.25599269e-04 -5.00326744e-04] [ 1.31950006e-13 -2.98094882e-14 8.21565038e-14] [-1.56155470e-14 1.41510554e-14 -4.75319829e-14] [ 2.05345890e-04 -9.62345441e-05 1.17920002e-04] [-2.05345891e-04 9.62345441e-05 1.17920002e-04] [ 2.05345891e-04 -9.62345441e-05 -1.17920002e-04] [-2.05345890e-04 9.62345441e-05 -1.17920002e-04] [-3.18994017e-04 2.08028341e-04 -3.18740348e-04] [-3.18994017e-04 2.08028341e-04 3.18740348e-04] [ 3.18994017e-04 -2.08028341e-04 -3.18740348e-04] [ 3.18994017e-04 -2.08028341e-04 3.18740348e-04] [ 5.44736593e-04 3.31699168e-04 1.04138920e-13] [ 3.08795896e-04 -5.23554738e-04 3.20854454e-14] [-3.08795896e-04 5.23554738e-04 -2.92526420e-14] [-5.44736593e-04 -3.31699168e-04 -5.80681336e-14] [ 2.05345891e-04 -9.62345442e-05 1.17920003e-04] [-2.05345890e-04 9.62345441e-05 1.17920002e-04] [ 2.05345891e-04 -9.62345441e-05 -1.17920002e-04] [-2.05345890e-04 9.62345442e-05 -1.17920002e-04] [-3.18994017e-04 2.08028341e-04 -3.18740348e-04] [-3.18994017e-04 2.08028341e-04 3.18740348e-04] [ 3.18994017e-04 -2.08028341e-04 -3.18740348e-04] [ 3.18994017e-04 -2.08028341e-04 3.18740348e-04] [ 5.44736593e-04 3.31699168e-04 -1.14477704e-14] [ 3.08795896e-04 -5.23554737e-04 5.99667817e-14] [-3.08795896e-04 5.23554738e-04 -4.69844771e-15] [-5.44736593e-04 -3.31699168e-04 5.03251954e-14]] Final stress: [-5.50639996e-05 4.16108879e-06 -5.50785065e-05 4.98831773e-18 6.98364482e-17 6.57540967e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.42537596e-05 1.81022244e-04 1.04339280e-14] [ 7.42537595e-05 -1.81022244e-04 -2.18991492e-14] [ 1.77426081e-04 -6.33985369e-04 3.77779405e-15] [-1.77426081e-04 6.33985369e-04 1.97342143e-14] [ 1.32966554e-15 1.07422751e-14 -7.59989872e-05] [-3.13638004e-15 -2.48412402e-14 7.59989872e-05] [-7.42537596e-05 1.81022244e-04 -1.21333882e-14] [ 7.42537596e-05 -1.81022244e-04 1.66170479e-14] [ 1.77426081e-04 -6.33985369e-04 -9.90465714e-15] [-1.77426081e-04 6.33985369e-04 -6.79701103e-15] [-5.00684563e-15 -4.31562588e-15 -7.59989872e-05] [-2.31520532e-14 1.73321978e-15 7.59989872e-05] [-2.41542742e-04 1.25549160e-04 -5.00367792e-04] [ 2.41542742e-04 -1.25549160e-04 -5.00367792e-04] [ 1.35903498e-04 2.32570876e-04 -1.21190165e-04] [-1.35903498e-04 -2.32570876e-04 -1.21190165e-04] [-2.41542742e-04 1.25549160e-04 5.00367792e-04] [ 2.41542742e-04 -1.25549160e-04 5.00367792e-04] [-1.35903498e-04 -2.32570876e-04 1.21190165e-04] [ 1.35903498e-04 2.32570876e-04 1.21190165e-04] [-2.41542742e-04 1.25549160e-04 -5.00367792e-04] [ 2.41542742e-04 -1.25549160e-04 -5.00367792e-04] [ 1.35903498e-04 2.32570876e-04 -1.21190165e-04] [-1.35903498e-04 -2.32570876e-04 -1.21190165e-04] [-2.41542742e-04 1.25549160e-04 5.00367792e-04] [ 2.41542742e-04 -1.25549160e-04 5.00367792e-04] [-1.35903498e-04 -2.32570876e-04 1.21190165e-04] [ 1.35903498e-04 2.32570876e-04 1.21190165e-04] [ 1.04805054e-13 -3.49720253e-14 2.08444373e-14] [-2.69541334e-14 1.24159706e-14 -7.87170282e-14] [-2.05050000e-04 -9.60660172e-05 1.17872355e-04] [ 2.05050000e-04 9.60660173e-05 1.17872355e-04] [-2.05050000e-04 -9.60660173e-05 -1.17872355e-04] [ 2.05050000e-04 9.60660173e-05 -1.17872355e-04] [-3.18975128e-04 -2.07731823e-04 -3.18721588e-04] [-3.18975128e-04 -2.07731823e-04 3.18721588e-04] [ 3.18975128e-04 2.07731823e-04 -3.18721588e-04] [ 3.18975128e-04 2.07731823e-04 3.18721588e-04] [-3.08964162e-04 -5.23506160e-04 -3.94129174e-14] [-5.44810022e-04 3.31987838e-04 -1.09044718e-14] [ 5.44810022e-04 -3.31987837e-04 -4.26950142e-14] [ 3.08964162e-04 5.23506160e-04 -1.09391662e-14] [-2.05050000e-04 -9.60660174e-05 1.17872355e-04] [ 2.05050000e-04 9.60660174e-05 1.17872355e-04] [-2.05050000e-04 -9.60660174e-05 -1.17872355e-04] [ 2.05050000e-04 9.60660173e-05 -1.17872355e-04] [-3.18975127e-04 -2.07731823e-04 -3.18721588e-04] [-3.18975127e-04 -2.07731823e-04 3.18721588e-04] [ 3.18975127e-04 2.07731823e-04 -3.18721588e-04] [ 3.18975127e-04 2.07731823e-04 3.18721588e-04] [-3.08964162e-04 -5.23506160e-04 1.59326764e-14] [-5.44810021e-04 3.31987838e-04 1.65257348e-14] [ 5.44810021e-04 -3.31987838e-04 5.38496995e-14] [ 3.08964162e-04 5.23506160e-04 9.66240976e-16]] Final stress: [-5.50646353e-05 4.15921496e-06 -5.50791463e-05 3.49182241e-17 3.82437692e-17 -6.57537157e-05] Minimization converged after 26 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.75139174e-05 2.20561416e-14 -1.94891846e-14] [ 3.75139173e-05 -4.69069228e-15 -2.73392420e-14] [ 3.02748278e-14 -3.08677986e-05 3.15844621e-05] [ 4.03566069e-14 3.08677988e-05 -3.15844622e-05] [ 4.17894885e-14 2.52126415e-05 1.21779168e-03] [ 3.02535774e-15 -2.52126415e-05 -1.21779168e-03] [-3.75139172e-05 4.19352053e-14 8.03451562e-15] [ 3.75139176e-05 5.49876984e-14 1.21604773e-14] [ 8.72479172e-15 -3.08677986e-05 3.15844621e-05] [-1.51788304e-17 3.08677988e-05 -3.15844621e-05] [-2.79186396e-14 2.52126415e-05 1.21779168e-03] [-7.57336902e-15 -2.52126415e-05 -1.21779168e-03] [ 1.14079603e-03 2.97316239e-04 -3.19451028e-04] [ 3.82544611e-04 -4.67151087e-04 -1.47720318e-04] [ 3.82544611e-04 4.67151087e-04 1.47720318e-04] [ 1.14079603e-03 -2.97316239e-04 3.19451028e-04] [-3.82544611e-04 4.67151087e-04 1.47720318e-04] [-1.14079603e-03 -2.97316239e-04 3.19451028e-04] [-3.82544611e-04 -4.67151087e-04 -1.47720318e-04] [-1.14079603e-03 2.97316239e-04 -3.19451028e-04] [ 1.14079603e-03 2.97316239e-04 -3.19451028e-04] [ 3.82544611e-04 -4.67151087e-04 -1.47720318e-04] [ 3.82544611e-04 4.67151087e-04 1.47720318e-04] [ 1.14079603e-03 -2.97316239e-04 3.19451028e-04] [-3.82544611e-04 4.67151087e-04 1.47720318e-04] [-1.14079603e-03 -2.97316239e-04 3.19451028e-04] [-3.82544611e-04 -4.67151087e-04 -1.47720318e-04] [-1.14079603e-03 2.97316239e-04 -3.19451028e-04] [ 1.52100554e-13 -2.28705943e-14 6.14786000e-14] [-2.66745827e-13 -1.40062186e-13 -6.32964856e-14] [-1.42108547e-14 3.89074480e-04 1.32844329e-03] [-7.65516123e-14 1.15734761e-03 -2.14365575e-04] [ 1.12340692e-13 -1.15734761e-03 2.14365575e-04] [ 6.66480759e-15 -3.89074480e-04 -1.32844329e-03] [-3.84389003e-04 7.94324233e-04 5.56435566e-04] [-3.84389003e-04 -7.94324233e-04 -5.56435566e-04] [ 3.84389003e-04 7.94324233e-04 5.56435566e-04] [ 3.84389003e-04 -7.94324233e-04 -5.56435566e-04] [ 5.76885794e-04 5.76535572e-04 7.90970827e-04] [-5.76885794e-04 5.76535572e-04 7.90970827e-04] [ 5.76885794e-04 -5.76535572e-04 -7.90970827e-04] [-5.76885794e-04 -5.76535572e-04 -7.90970827e-04] [ 9.44895204e-14 3.89074480e-04 1.32844329e-03] [ 1.05229193e-13 1.15734761e-03 -2.14365575e-04] [-1.39168191e-14 -1.15734761e-03 2.14365575e-04] [-1.62708388e-14 -3.89074480e-04 -1.32844329e-03] [-3.84389003e-04 7.94324233e-04 5.56435566e-04] [-3.84389003e-04 -7.94324233e-04 -5.56435566e-04] [ 3.84389003e-04 7.94324233e-04 5.56435566e-04] [ 3.84389003e-04 -7.94324233e-04 -5.56435566e-04] [ 5.76885794e-04 5.76535572e-04 7.90970827e-04] [-5.76885794e-04 5.76535572e-04 7.90970827e-04] [ 5.76885794e-04 -5.76535572e-04 -7.90970827e-04] [-5.76885794e-04 -5.76535572e-04 -7.90970826e-04]] Final stress: [ 5.89607193e-05 5.89999173e-05 -2.71027054e-05 6.75947842e-05 -8.31144358e-18 1.82851759e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.37981366e-05 7.02996689e-16 -4.41261611e-14] [ 3.37981366e-05 4.74620343e-15 3.79141163e-14] [ 9.94209055e-14 -2.71849055e-05 -3.40551262e-05] [-3.80251386e-15 2.71849056e-05 3.40551261e-05] [ 1.09669218e-14 -2.76970733e-05 1.21545764e-03] [-9.15656440e-14 2.76970732e-05 -1.21545764e-03] [-3.37981366e-05 2.64549667e-14 3.07698310e-14] [ 3.37981367e-05 1.59186900e-14 -3.03243751e-15] [-1.08502617e-14 -2.71849054e-05 -3.40551262e-05] [ 5.85382437e-15 2.71849055e-05 3.40551262e-05] [-5.32126426e-16 -2.76970732e-05 1.21545764e-03] [ 5.11149283e-14 2.76970733e-05 -1.21545764e-03] [-3.84097920e-04 4.65239730e-04 -1.48505031e-04] [-1.13969461e-03 -2.96544607e-04 -3.19111167e-04] [-1.13969461e-03 2.96544607e-04 3.19111167e-04] [-3.84097920e-04 -4.65239729e-04 1.48505031e-04] [ 1.13969461e-03 2.96544607e-04 3.19111167e-04] [ 3.84097920e-04 -4.65239730e-04 1.48505031e-04] [ 1.13969461e-03 -2.96544607e-04 -3.19111167e-04] [ 3.84097920e-04 4.65239730e-04 -1.48505031e-04] [-3.84097920e-04 4.65239730e-04 -1.48505031e-04] [-1.13969461e-03 -2.96544607e-04 -3.19111167e-04] [-1.13969461e-03 2.96544607e-04 3.19111167e-04] [-3.84097920e-04 -4.65239730e-04 1.48505031e-04] [ 1.13969461e-03 2.96544607e-04 3.19111167e-04] [ 3.84097920e-04 -4.65239730e-04 1.48505031e-04] [ 1.13969461e-03 -2.96544607e-04 -3.19111167e-04] [ 3.84097920e-04 4.65239730e-04 -1.48505031e-04] [ 9.33697564e-14 -9.99478278e-14 -8.73467965e-14] [-2.24737763e-14 -3.13300516e-14 -1.53373368e-14] [-2.63122857e-13 -1.15091381e-03 -2.21295179e-04] [-2.27404900e-13 -3.93010788e-04 1.31898791e-03] [-4.08700851e-15 3.93010788e-04 -1.31898791e-03] [ 8.59971816e-14 1.15091381e-03 2.21295179e-04] [-3.79204516e-04 -7.89326551e-04 5.48245128e-04] [-3.79204516e-04 7.89326551e-04 -5.48245128e-04] [ 3.79204516e-04 -7.89326551e-04 5.48245128e-04] [ 3.79204516e-04 7.89326551e-04 -5.48245128e-04] [ 5.75193225e-04 5.74845615e-04 -7.85961683e-04] [-5.75193225e-04 5.74845615e-04 -7.85961684e-04] [ 5.75193225e-04 -5.74845615e-04 7.85961684e-04] [-5.75193226e-04 -5.74845614e-04 7.85961683e-04] [ 1.01904162e-13 -1.15091381e-03 -2.21295179e-04] [ 1.25257443e-13 -3.93010788e-04 1.31898790e-03] [ 6.18259784e-14 3.93010788e-04 -1.31898791e-03] [ 1.10042184e-14 1.15091381e-03 2.21295179e-04] [-3.79204517e-04 -7.89326551e-04 5.48245129e-04] [-3.79204516e-04 7.89326551e-04 -5.48245128e-04] [ 3.79204516e-04 -7.89326551e-04 5.48245128e-04] [ 3.79204517e-04 7.89326551e-04 -5.48245129e-04] [ 5.75193226e-04 5.74845614e-04 -7.85961684e-04] [-5.75193226e-04 5.74845614e-04 -7.85961683e-04] [ 5.75193226e-04 -5.74845614e-04 7.85961684e-04] [-5.75193225e-04 -5.74845614e-04 7.85961684e-04]] Final stress: [ 5.89467257e-05 5.89858037e-05 -2.69457286e-05 -6.76198229e-05 -3.32457743e-17 2.82589082e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.48058247e-05 -5.94836680e-15 1.41076387e-15] [ 7.48058247e-05 -3.52495810e-15 1.71251902e-14] [-2.80938467e-15 -7.30582625e-05 -1.82547545e-04] [ 2.58681965e-14 7.30582625e-05 1.82547545e-04] [ 2.68847444e-14 -1.78951940e-04 -6.33029728e-04] [-1.32949207e-14 1.78951940e-04 6.33029728e-04] [-7.48058247e-05 5.92061122e-15 1.02890006e-14] [ 7.48058247e-05 1.45820855e-14 -7.76949971e-15] [ 4.04103834e-15 -7.30582625e-05 -1.82547545e-04] [-1.28924649e-14 7.30582626e-05 1.82547545e-04] [-1.92064246e-14 -1.78951940e-04 -6.33029728e-04] [ 3.46771223e-15 1.78951940e-04 6.33029728e-04] [ 1.19779363e-04 -1.35913442e-04 2.32245070e-04] [ 4.99094115e-04 2.41668591e-04 1.25112781e-04] [ 4.99094115e-04 -2.41668591e-04 -1.25112781e-04] [ 1.19779363e-04 1.35913442e-04 -2.32245070e-04] [-4.99094115e-04 -2.41668591e-04 -1.25112781e-04] [-1.19779363e-04 1.35913442e-04 -2.32245070e-04] [-4.99094115e-04 2.41668591e-04 1.25112781e-04] [-1.19779363e-04 -1.35913442e-04 2.32245070e-04] [ 1.19779363e-04 -1.35913442e-04 2.32245070e-04] [ 4.99094115e-04 2.41668591e-04 1.25112781e-04] [ 4.99094115e-04 -2.41668591e-04 -1.25112781e-04] [ 1.19779363e-04 1.35913442e-04 -2.32245070e-04] [-4.99094115e-04 -2.41668591e-04 -1.25112781e-04] [-1.19779363e-04 1.35913442e-04 -2.32245070e-04] [-4.99094115e-04 2.41668591e-04 1.25112781e-04] [-1.19779363e-04 -1.35913442e-04 2.32245070e-04] [ 6.04238881e-14 -3.48332474e-14 2.63677968e-15] [-3.22532799e-14 -3.90301299e-14 -5.60780711e-14] [-5.81756865e-14 5.40258982e-04 3.35302912e-04] [-3.68420572e-14 3.12803994e-04 -5.19509521e-04] [-2.02598355e-14 -3.12803994e-04 5.19509521e-04] [ 2.37379560e-14 -5.40258982e-04 -3.35302912e-04] [ 1.13675313e-04 2.05684758e-04 -9.24081360e-05] [ 1.13675313e-04 -2.05684758e-04 9.24081360e-05] [-1.13675313e-04 2.05684758e-04 -9.24081362e-05] [-1.13675313e-04 -2.05684758e-04 9.24081361e-05] [-3.19244244e-04 -3.19494147e-04 2.08374242e-04] [ 3.19244244e-04 -3.19494147e-04 2.08374242e-04] [-3.19244244e-04 3.19494147e-04 -2.08374242e-04] [ 3.19244244e-04 3.19494147e-04 -2.08374242e-04] [ 2.28549818e-14 5.40258982e-04 3.35302912e-04] [ 2.84091327e-14 3.12803994e-04 -5.19509521e-04] [-1.59594560e-15 -3.12803994e-04 5.19509521e-04] [ 6.12890814e-14 -5.40258982e-04 -3.35302912e-04] [ 1.13675313e-04 2.05684758e-04 -9.24081360e-05] [ 1.13675313e-04 -2.05684758e-04 9.24081360e-05] [-1.13675313e-04 2.05684758e-04 -9.24081360e-05] [-1.13675313e-04 -2.05684758e-04 9.24081360e-05] [-3.19244243e-04 -3.19494147e-04 2.08374242e-04] [ 3.19244243e-04 -3.19494147e-04 2.08374242e-04] [-3.19244243e-04 3.19494147e-04 -2.08374242e-04] [ 3.19244244e-04 3.19494147e-04 -2.08374242e-04]] Final stress: [-5.50638864e-05 -5.50493914e-05 4.15294229e-06 6.57381235e-05 3.99065418e-17 -3.99065418e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.55546589e-05 5.50297655e-15 -3.83677465e-15] [ 7.55546589e-05 -9.07607323e-15 8.77076189e-15] [ 8.90129984e-15 -7.38082310e-05 1.81451947e-04] [ 9.88098492e-15 7.38082310e-05 -1.81451947e-04] [ 3.19839641e-15 1.77856032e-04 -6.33653870e-04] [ 1.61537450e-14 -1.77856032e-04 6.33653870e-04] [-7.55546589e-05 1.58718524e-14 -5.97888942e-15] [ 7.55546589e-05 -4.19803081e-15 -1.03437914e-14] [-1.13724134e-14 -7.38082310e-05 1.81451947e-04] [-1.25533264e-14 7.38082310e-05 -1.81451947e-04] [-1.03740801e-14 1.77856032e-04 -6.33653870e-04] [-7.17611734e-15 -1.77856032e-04 6.33653870e-04] [-4.99979102e-04 -2.41547280e-04 1.25435615e-04] [-1.20749060e-04 1.35950510e-04 2.32413186e-04] [-1.20749060e-04 -1.35950510e-04 -2.32413186e-04] [-4.99979102e-04 2.41547280e-04 -1.25435615e-04] [ 1.20749060e-04 -1.35950510e-04 -2.32413186e-04] [ 4.99979102e-04 2.41547280e-04 -1.25435615e-04] [ 1.20749060e-04 1.35950510e-04 2.32413186e-04] [ 4.99979102e-04 -2.41547280e-04 1.25435615e-04] [-4.99979102e-04 -2.41547280e-04 1.25435615e-04] [-1.20749060e-04 1.35950510e-04 2.32413186e-04] [-1.20749060e-04 -1.35950510e-04 -2.32413186e-04] [-4.99979102e-04 2.41547280e-04 -1.25435615e-04] [ 1.20749060e-04 -1.35950510e-04 -2.32413186e-04] [ 4.99979102e-04 2.41547280e-04 -1.25435615e-04] [ 1.20749060e-04 1.35950510e-04 2.32413186e-04] [ 4.99979102e-04 -2.41547280e-04 1.25435615e-04] [ 3.48610030e-14 -5.18751708e-14 1.65145675e-14] [-1.41210828e-14 3.77279446e-15 -1.81860129e-14] [-7.82707232e-14 -3.10295039e-04 -5.22068073e-04] [-3.91370963e-14 -5.43183837e-04 3.33141941e-04] [-2.65863720e-14 5.43183837e-04 -3.33141941e-04] [ 2.06102496e-14 3.10295040e-04 5.22068073e-04] [ 1.16393308e-04 -2.05330781e-04 -9.47691926e-05] [ 1.16393308e-04 2.05330781e-04 9.47691926e-05] [-1.16393308e-04 -2.05330781e-04 -9.47691927e-05] [-1.16393308e-04 2.05330781e-04 9.47691926e-05] [-3.18897916e-04 -3.19150208e-04 -2.08015563e-04] [ 3.18897916e-04 -3.19150208e-04 -2.08015563e-04] [-3.18897916e-04 3.19150208e-04 2.08015563e-04] [ 3.18897916e-04 3.19150208e-04 2.08015563e-04] [-1.42034821e-14 -3.10295039e-04 -5.22068073e-04] [-7.85352686e-15 -5.43183837e-04 3.33141941e-04] [-1.38443944e-14 5.43183837e-04 -3.33141941e-04] [ 3.25104527e-14 3.10295039e-04 5.22068073e-04] [ 1.16393308e-04 -2.05330781e-04 -9.47691925e-05] [ 1.16393308e-04 2.05330781e-04 9.47691926e-05] [-1.16393308e-04 -2.05330781e-04 -9.47691925e-05] [-1.16393308e-04 2.05330781e-04 9.47691924e-05] [-3.18897916e-04 -3.19150208e-04 -2.08015563e-04] [ 3.18897916e-04 -3.19150208e-04 -2.08015563e-04] [-3.18897916e-04 3.19150208e-04 2.08015563e-04] [ 3.18897916e-04 3.19150208e-04 2.08015563e-04]] Final stress: [-5.50739763e-05 -5.50594718e-05 4.15705261e-06 -6.57493755e-05 -3.65809967e-17 4.65576321e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.08677991e-05 -1.00227986e-14 3.15844619e-05] [ 3.08677990e-05 3.27793348e-14 -3.15844619e-05] [ 1.59724664e-14 -3.75139177e-05 7.33406391e-14] [-4.77118345e-14 3.75139178e-05 -2.52575738e-15] [ 2.52126412e-05 -2.43303641e-14 1.21779168e-03] [-2.52126413e-05 3.28903571e-14 -1.21779168e-03] [-3.08677991e-05 -2.25973754e-14 3.15844619e-05] [ 3.08677991e-05 -3.23872873e-15 -3.15844619e-05] [ 3.48289106e-15 -3.75139175e-05 -4.96055222e-14] [-1.89613950e-14 3.75139178e-05 8.72764612e-15] [ 2.52126412e-05 1.95757406e-14 1.21779168e-03] [-2.52126413e-05 -8.13928274e-15 -1.21779168e-03] [ 2.97316239e-04 1.14079603e-03 -3.19451029e-04] [-4.67151087e-04 3.82544611e-04 -1.47720318e-04] [-2.97316239e-04 1.14079603e-03 3.19451029e-04] [ 4.67151087e-04 3.82544611e-04 1.47720318e-04] [ 4.67151087e-04 -3.82544611e-04 1.47720318e-04] [-2.97316239e-04 -1.14079603e-03 3.19451029e-04] [ 2.97316239e-04 -1.14079603e-03 -3.19451028e-04] [-4.67151087e-04 -3.82544610e-04 -1.47720318e-04] [ 2.97316239e-04 1.14079603e-03 -3.19451028e-04] [-4.67151087e-04 3.82544611e-04 -1.47720318e-04] [-2.97316239e-04 1.14079603e-03 3.19451028e-04] [ 4.67151087e-04 3.82544611e-04 1.47720318e-04] [ 4.67151087e-04 -3.82544610e-04 1.47720318e-04] [-2.97316239e-04 -1.14079603e-03 3.19451028e-04] [ 2.97316239e-04 -1.14079603e-03 -3.19451029e-04] [-4.67151087e-04 -3.82544610e-04 -1.47720318e-04] [ 1.43995926e-13 -6.04793993e-14 8.73745520e-14] [-5.12792933e-14 -4.31086675e-14 -9.10409217e-14] [ 7.94324234e-04 -3.84389003e-04 5.56435567e-04] [ 7.94324233e-04 3.84389003e-04 5.56435567e-04] [-7.94324234e-04 -3.84389003e-04 -5.56435566e-04] [-7.94324234e-04 3.84389003e-04 -5.56435567e-04] [ 3.89074479e-04 2.95319325e-14 1.32844329e-03] [-1.15734761e-03 -1.22365659e-13 2.14365574e-04] [ 1.15734761e-03 -9.31373034e-15 -2.14365574e-04] [-3.89074479e-04 -5.57887070e-14 -1.32844329e-03] [ 5.76535572e-04 5.76885794e-04 7.90970827e-04] [-5.76535572e-04 5.76885794e-04 -7.90970827e-04] [ 5.76535572e-04 -5.76885794e-04 7.90970827e-04] [-5.76535572e-04 -5.76885794e-04 -7.90970827e-04] [ 7.94324234e-04 -3.84389004e-04 5.56435567e-04] [ 7.94324234e-04 3.84389004e-04 5.56435567e-04] [-7.94324233e-04 -3.84389004e-04 -5.56435567e-04] [-7.94324234e-04 3.84389004e-04 -5.56435567e-04] [ 3.89074480e-04 -1.81609668e-13 1.32844329e-03] [-1.15734761e-03 3.36644775e-15 2.14365575e-04] [ 1.15734761e-03 -1.59997016e-13 -2.14365575e-04] [-3.89074480e-04 -2.61479206e-14 -1.32844329e-03] [ 5.76535572e-04 5.76885794e-04 7.90970827e-04] [-5.76535572e-04 5.76885795e-04 -7.90970827e-04] [ 5.76535572e-04 -5.76885794e-04 7.90970827e-04] [-5.76535572e-04 -5.76885794e-04 -7.90970827e-04]] Final stress: [ 5.89999173e-05 5.89607193e-05 -2.71027054e-05 -4.98686615e-17 6.75947842e-05 8.97635906e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.70234093e-05 5.14692455e-15 -3.41268917e-05] [ 2.70234094e-05 -3.84969834e-14 3.41268917e-05] [ 4.01415012e-14 -3.36435290e-05 -4.03965056e-14] [ 1.39888101e-14 3.36435290e-05 -2.53130850e-14] [-2.77636093e-05 -3.35391437e-14 1.21679392e-03] [ 2.77636095e-05 -1.23234756e-14 -1.21679392e-03] [-2.70234095e-05 1.70471276e-14 -3.41268916e-05] [ 2.70234094e-05 7.75334658e-15 3.41268915e-05] [ 6.57156621e-15 -3.36435290e-05 -4.14998998e-14] [ 2.41564581e-14 3.36435291e-05 -4.75206165e-14] [-2.77636095e-05 -1.44729331e-14 1.21679392e-03] [ 2.77636094e-05 -1.43156870e-14 -1.21679392e-03] [ 4.65578272e-04 -3.84600897e-04 -1.48706443e-04] [-2.96858678e-04 -1.14084386e-03 -3.19337204e-04] [-4.65578272e-04 -3.84600897e-04 1.48706443e-04] [ 2.96858678e-04 -1.14084386e-03 3.19337204e-04] [ 2.96858678e-04 1.14084386e-03 3.19337204e-04] [-4.65578272e-04 3.84600897e-04 1.48706443e-04] [ 4.65578272e-04 3.84600897e-04 -1.48706443e-04] [-2.96858678e-04 1.14084386e-03 -3.19337204e-04] [ 4.65578272e-04 -3.84600897e-04 -1.48706443e-04] [-2.96858678e-04 -1.14084386e-03 -3.19337204e-04] [-4.65578272e-04 -3.84600897e-04 1.48706443e-04] [ 2.96858678e-04 -1.14084386e-03 3.19337204e-04] [ 2.96858678e-04 1.14084386e-03 3.19337204e-04] [-4.65578272e-04 3.84600897e-04 1.48706443e-04] [ 4.65578272e-04 3.84600897e-04 -1.48706443e-04] [-2.96858678e-04 1.14084386e-03 -3.19337205e-04] [ 3.69981823e-14 2.27595720e-14 -6.85285162e-14] [ 1.08802290e-13 3.40082232e-14 -3.79127662e-14] [-7.89956149e-04 -3.82061661e-04 5.51453730e-04] [-7.89956149e-04 3.82061661e-04 5.51453730e-04] [ 7.89956149e-04 -3.82061661e-04 -5.51453730e-04] [ 7.89956149e-04 3.82061661e-04 -5.51453730e-04] [-1.15459799e-03 2.33146835e-15 -2.18922801e-04] [ 3.90980497e-04 3.56503022e-14 -1.32303627e-03] [-3.90980497e-04 -1.63896674e-13 1.32303627e-03] [ 1.15459799e-03 -3.50483531e-14 2.18922801e-04] [ 5.75116189e-04 5.75465627e-04 -7.86597439e-04] [-5.75116189e-04 5.75465627e-04 7.86597440e-04] [ 5.75116189e-04 -5.75465626e-04 -7.86597440e-04] [-5.75116189e-04 -5.75465627e-04 7.86597439e-04] [-7.89956149e-04 -3.82061661e-04 5.51453731e-04] [-7.89956149e-04 3.82061661e-04 5.51453731e-04] [ 7.89956149e-04 -3.82061662e-04 -5.51453731e-04] [ 7.89956149e-04 3.82061662e-04 -5.51453731e-04] [-1.15459799e-03 -3.15048300e-15 -2.18922802e-04] [ 3.90980498e-04 -2.91416197e-14 -1.32303627e-03] [-3.90980497e-04 -4.76398435e-15 1.32303627e-03] [ 1.15459799e-03 -4.18935719e-15 2.18922802e-04] [ 5.75116188e-04 5.75465627e-04 -7.86597439e-04] [-5.75116188e-04 5.75465627e-04 7.86597440e-04] [ 5.75116188e-04 -5.75465627e-04 -7.86597440e-04] [-5.75116188e-04 -5.75465627e-04 7.86597440e-04]] Final stress: [ 5.89980102e-05 5.89588680e-05 -2.69912475e-05 -1.49605984e-17 -6.76201433e-05 9.80750342e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.33460035e-05 7.23379689e-15 -1.80830786e-04] [ 7.33460035e-05 -5.57887070e-15 1.80830786e-04] [-5.34338199e-15 -7.50960236e-05 1.62023173e-15] [ 2.24820162e-15 7.50960237e-05 -2.10942375e-14] [-1.77235409e-04 -6.03510297e-15 -6.33653149e-04] [ 1.77235409e-04 5.55111512e-15 6.33653149e-04] [-7.33460036e-05 2.19008839e-15 -1.80830786e-04] [ 7.33460036e-05 1.02483126e-14 1.80830786e-04] [-1.04113766e-14 -7.50960236e-05 -1.41140356e-14] [-3.63988353e-15 7.50960236e-05 -1.08172428e-15] [-1.77235409e-04 -5.15961891e-16 -6.33653149e-04] [ 1.77235409e-04 -8.86961295e-15 6.33653149e-04] [-1.36323437e-04 1.20980808e-04 2.32036866e-04] [ 2.41255507e-04 5.00295648e-04 1.25722738e-04] [ 1.36323437e-04 1.20980808e-04 -2.32036866e-04] [-2.41255507e-04 5.00295648e-04 -1.25722738e-04] [-2.41255507e-04 -5.00295648e-04 -1.25722738e-04] [ 1.36323437e-04 -1.20980808e-04 -2.32036866e-04] [-1.36323437e-04 -1.20980808e-04 2.32036866e-04] [ 2.41255507e-04 -5.00295648e-04 1.25722738e-04] [-1.36323437e-04 1.20980808e-04 2.32036866e-04] [ 2.41255507e-04 5.00295648e-04 1.25722738e-04] [ 1.36323437e-04 1.20980808e-04 -2.32036866e-04] [-2.41255507e-04 5.00295648e-04 -1.25722738e-04] [-2.41255507e-04 -5.00295648e-04 -1.25722738e-04] [ 1.36323437e-04 -1.20980808e-04 -2.32036866e-04] [-1.36323437e-04 -1.20980808e-04 2.32036866e-04] [ 2.41255507e-04 -5.00295648e-04 1.25722738e-04] [-1.86239912e-14 -4.24660307e-14 1.83186799e-15] [-7.66747776e-15 -8.08740906e-15 1.01467136e-17] [ 2.05949945e-04 1.16984968e-04 -9.54618513e-05] [ 2.05949945e-04 -1.16984968e-04 -9.54618515e-05] [-2.05949945e-04 1.16984968e-04 9.54618514e-05] [-2.05949945e-04 -1.16984968e-04 9.54618514e-05] [ 5.43537011e-04 -7.63833441e-14 3.32212725e-04] [-3.09466406e-04 -6.05817480e-14 5.22524117e-04] [ 3.09466406e-04 3.59434704e-15 -5.22524117e-04] [-5.43537010e-04 -5.17294541e-15 -3.32212725e-04] [-3.19087581e-04 -3.18834506e-04 2.08635790e-04] [ 3.19087581e-04 -3.18834506e-04 -2.08635790e-04] [-3.19087581e-04 3.18834507e-04 2.08635790e-04] [ 3.19087581e-04 3.18834506e-04 -2.08635790e-04] [ 2.05949945e-04 1.16984968e-04 -9.54618514e-05] [ 2.05949945e-04 -1.16984968e-04 -9.54618514e-05] [-2.05949945e-04 1.16984968e-04 9.54618514e-05] [-2.05949945e-04 -1.16984968e-04 9.54618514e-05] [ 5.43537010e-04 -4.86273387e-14 3.32212725e-04] [-3.09466406e-04 1.82338953e-14 5.22524117e-04] [ 3.09466406e-04 -5.58854178e-14 -5.22524117e-04] [-5.43537011e-04 -5.49256821e-15 -3.32212725e-04] [-3.19087581e-04 -3.18834506e-04 2.08635790e-04] [ 3.19087581e-04 -3.18834506e-04 -2.08635790e-04] [-3.19087581e-04 3.18834506e-04 2.08635790e-04] [ 3.19087581e-04 3.18834507e-04 -2.08635790e-04]] Final stress: [-5.50610925e-05 -5.50755888e-05 4.16103798e-06 -4.98831773e-18 6.57562738e-05 -2.49415886e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.37915884e-05 2.16111851e-14 1.81842728e-04] [ 7.37915884e-05 6.16173779e-15 -1.81842728e-04] [-2.16714667e-14 -7.55372707e-05 -7.54604712e-16] [-1.67921232e-14 7.55372708e-05 -6.91113833e-15] [ 1.78246728e-04 6.51041721e-15 -6.33493285e-04] [-1.78246728e-04 2.69229083e-15 6.33493285e-04] [-7.37915884e-05 -8.63675451e-15 1.81842728e-04] [ 7.37915884e-05 5.34728511e-15 -1.81842728e-04] [-1.36362276e-14 -7.55372707e-05 -3.93540666e-15] [-1.05527566e-14 7.55372707e-05 -5.04836782e-15] [ 1.78246728e-04 7.39268744e-15 -6.33493285e-04] [-1.78246728e-04 1.99898172e-15 6.33493285e-04] [-2.41646290e-04 -4.99701142e-04 1.25284216e-04] [ 1.35839956e-04 -1.20483557e-04 2.32470139e-04] [ 2.41646290e-04 -4.99701142e-04 -1.25284216e-04] [-1.35839956e-04 -1.20483557e-04 -2.32470139e-04] [-1.35839956e-04 1.20483557e-04 -2.32470139e-04] [ 2.41646290e-04 4.99701142e-04 -1.25284216e-04] [-2.41646290e-04 4.99701142e-04 1.25284216e-04] [ 1.35839956e-04 1.20483557e-04 2.32470139e-04] [-2.41646290e-04 -4.99701142e-04 1.25284216e-04] [ 1.35839956e-04 -1.20483557e-04 2.32470139e-04] [ 2.41646290e-04 -4.99701142e-04 -1.25284216e-04] [-1.35839956e-04 -1.20483557e-04 -2.32470139e-04] [-1.35839956e-04 1.20483557e-04 -2.32470139e-04] [ 2.41646290e-04 4.99701142e-04 -1.25284216e-04] [-2.41646290e-04 4.99701142e-04 1.25284216e-04] [ 1.35839956e-04 1.20483558e-04 2.32470139e-04] [ 3.41393580e-14 -1.43773882e-14 4.57411886e-14] [ 8.36136715e-15 5.66212678e-14 -6.45507710e-14] [-2.05228204e-04 1.15327716e-04 -9.37312935e-05] [-2.05228204e-04 -1.15327716e-04 -9.37312935e-05] [ 2.05228204e-04 1.15327716e-04 9.37312934e-05] [ 2.05228204e-04 -1.15327716e-04 9.37312934e-05] [-3.11378415e-04 -4.77395901e-14 -5.21051868e-04] [ 5.42137212e-04 -3.30863809e-14 -3.34200715e-04] [-5.42137212e-04 -4.62720140e-14 3.34200715e-04] [ 3.11378415e-04 -1.68962067e-14 5.21051868e-04] [-3.19260952e-04 -3.19009661e-04 -2.07914305e-04] [ 3.19260952e-04 -3.19009661e-04 2.07914305e-04] [-3.19260952e-04 3.19009661e-04 -2.07914305e-04] [ 3.19260952e-04 3.19009661e-04 2.07914305e-04] [-2.05228204e-04 1.15327716e-04 -9.37312932e-05] [-2.05228204e-04 -1.15327716e-04 -9.37312932e-05] [ 2.05228204e-04 1.15327716e-04 9.37312932e-05] [ 2.05228205e-04 -1.15327716e-04 9.37312932e-05] [-3.11378415e-04 1.21239805e-14 -5.21051869e-04] [ 5.42137212e-04 -4.11188011e-14 -3.34200715e-04] [-5.42137212e-04 -5.13057478e-14 3.34200715e-04] [ 3.11378415e-04 1.40555970e-15 5.21051869e-04] [-3.19260952e-04 -3.19009661e-04 -2.07914305e-04] [ 3.19260952e-04 -3.19009661e-04 2.07914305e-04] [-3.19260952e-04 3.19009661e-04 -2.07914305e-04] [ 3.19260952e-04 3.19009661e-04 2.07914305e-04]] Final stress: [-5.50562905e-05 -5.50707947e-05 4.15390478e-06 2.99299064e-17 -6.57451929e-05 1.16394080e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.16420253e-05 2.67408213e-05 5.67627542e-14] [ 4.16420252e-05 -2.67408213e-05 -4.57966998e-15] [ 2.67408213e-05 -4.16420254e-05 -9.24173932e-16] [-2.67408213e-05 4.16420253e-05 -9.90874049e-15] [-2.71241363e-14 -4.65166100e-14 1.20227515e-03] [ 9.46465128e-15 -2.01783035e-14 -1.20227515e-03] [-4.16420253e-05 2.67408213e-05 -1.68064798e-14] [ 4.16420255e-05 -2.67408213e-05 1.14485213e-14] [ 2.67408213e-05 -4.16420251e-05 6.29469762e-15] [-2.67408213e-05 4.16420254e-05 -2.51935780e-14] [-2.20405291e-14 -1.14020642e-14 1.20227515e-03] [-6.57503565e-15 1.55889320e-14 -1.20227515e-03] [ 2.93129110e-04 2.93129110e-04 5.25588344e-04] [-2.93129109e-04 -2.93129109e-04 5.25588344e-04] [-4.69524997e-04 4.69524997e-04 9.93897845e-04] [ 4.69524997e-04 -4.69524997e-04 9.93897845e-04] [ 2.93129110e-04 2.93129110e-04 -5.25588344e-04] [-2.93129110e-04 -2.93129109e-04 -5.25588344e-04] [ 4.69524997e-04 -4.69524997e-04 -9.93897845e-04] [-4.69524997e-04 4.69524997e-04 -9.93897845e-04] [ 2.93129109e-04 2.93129109e-04 5.25588344e-04] [-2.93129109e-04 -2.93129109e-04 5.25588344e-04] [-4.69524997e-04 4.69524997e-04 9.93897845e-04] [ 4.69524997e-04 -4.69524997e-04 9.93897845e-04] [ 2.93129109e-04 2.93129109e-04 -5.25588344e-04] [-2.93129109e-04 -2.93129110e-04 -5.25588344e-04] [ 4.69524997e-04 -4.69524997e-04 -9.93897845e-04] [-4.69524997e-04 4.69524997e-04 -9.93897845e-04] [-3.93851618e-14 -5.82867088e-15 3.73590048e-14] [-2.35089292e-13 -1.90495152e-13 1.48594246e-13] [ 7.98048172e-04 -3.72132103e-04 5.45418841e-04] [-7.98048172e-04 3.72132103e-04 5.45418841e-04] [ 7.98048172e-04 -3.72132103e-04 -5.45418841e-04] [-7.98048172e-04 3.72132103e-04 -5.45418841e-04] [-3.72132104e-04 7.98048172e-04 5.45418841e-04] [-3.72132104e-04 7.98048172e-04 -5.45418842e-04] [ 3.72132103e-04 -7.98048172e-04 5.45418841e-04] [ 3.72132104e-04 -7.98048172e-04 -5.45418841e-04] [ 1.33697449e-03 1.33697449e-03 -2.47579734e-14] [ 1.85353045e-04 -1.85353045e-04 -7.95318672e-14] [-1.85353045e-04 1.85353045e-04 1.21031657e-14] [-1.33697449e-03 -1.33697449e-03 -3.24254512e-14] [ 7.98048172e-04 -3.72132104e-04 5.45418842e-04] [-7.98048172e-04 3.72132104e-04 5.45418841e-04] [ 7.98048172e-04 -3.72132104e-04 -5.45418841e-04] [-7.98048172e-04 3.72132103e-04 -5.45418841e-04] [-3.72132103e-04 7.98048172e-04 5.45418841e-04] [-3.72132103e-04 7.98048172e-04 -5.45418841e-04] [ 3.72132103e-04 -7.98048172e-04 5.45418841e-04] [ 3.72132103e-04 -7.98048172e-04 -5.45418841e-04] [ 1.33697449e-03 1.33697449e-03 1.82694046e-13] [ 1.85353045e-04 -1.85353045e-04 1.70645873e-13] [-1.85353045e-04 1.85353045e-04 7.65246122e-14] [-1.33697449e-03 -1.33697449e-03 1.10835820e-14]] Final stress: [ 5.89264442e-05 5.89264442e-05 -2.69625726e-05 3.65703517e-17 -7.14784148e-17 6.76840588e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.84650696e-05 -2.84265089e-05 -4.79893902e-14] [ 3.84650696e-05 2.84265089e-05 1.39610545e-14] [-2.84265089e-05 -3.84650695e-05 -2.11254625e-14] [ 2.84265090e-05 3.84650696e-05 -2.36199948e-14] [-3.44299242e-15 -4.49085213e-14 1.20924870e-03] [-6.89448498e-14 -2.13440376e-14 -1.20924870e-03] [-3.84650696e-05 -2.84265090e-05 5.13996763e-14] [ 3.84650696e-05 2.84265090e-05 2.11936337e-14] [-2.84265089e-05 -3.84650696e-05 6.64550029e-15] [ 2.84265089e-05 3.84650696e-05 8.28915886e-15] [-1.60314470e-14 -1.58258493e-14 1.20924870e-03] [ 2.56721727e-14 -3.18099167e-14 -1.20924870e-03] [ 4.70523335e-04 4.70523335e-04 -1.00062764e-03] [-4.70523335e-04 -4.70523335e-04 -1.00062764e-03] [-2.94695855e-04 2.94695855e-04 -5.29393079e-04] [ 2.94695855e-04 -2.94695855e-04 -5.29393079e-04] [ 4.70523335e-04 4.70523335e-04 1.00062764e-03] [-4.70523335e-04 -4.70523335e-04 1.00062764e-03] [ 2.94695855e-04 -2.94695855e-04 5.29393079e-04] [-2.94695855e-04 2.94695855e-04 5.29393079e-04] [ 4.70523335e-04 4.70523335e-04 -1.00062764e-03] [-4.70523335e-04 -4.70523335e-04 -1.00062764e-03] [-2.94695855e-04 2.94695855e-04 -5.29393079e-04] [ 2.94695855e-04 -2.94695855e-04 -5.29393079e-04] [ 4.70523335e-04 4.70523335e-04 1.00062764e-03] [-4.70523335e-04 -4.70523335e-04 1.00062764e-03] [ 2.94695855e-04 -2.94695855e-04 5.29393079e-04] [-2.94695855e-04 2.94695855e-04 5.29393079e-04] [-2.22044605e-15 -3.61377595e-14 -7.52731211e-14] [-5.27355937e-15 -1.30499752e-13 -7.82152769e-14] [-7.99111652e-04 -3.86150195e-04 5.59890466e-04] [ 7.99111652e-04 3.86150195e-04 5.59890466e-04] [-7.99111652e-04 -3.86150195e-04 -5.59890466e-04] [ 7.99111652e-04 3.86150195e-04 -5.59890467e-04] [-3.86150194e-04 -7.99111652e-04 5.59890466e-04] [-3.86150194e-04 -7.99111652e-04 -5.59890466e-04] [ 3.86150194e-04 7.99111652e-04 5.59890466e-04] [ 3.86150194e-04 7.99111652e-04 -5.59890466e-04] [-1.89039011e-04 -1.89039010e-04 1.33226763e-15] [-1.34232633e-03 1.34232633e-03 -1.25018051e-13] [ 1.34232633e-03 -1.34232633e-03 5.11101578e-14] [ 1.89039011e-04 1.89039011e-04 -1.45437482e-13] [-7.99111652e-04 -3.86150194e-04 5.59890466e-04] [ 7.99111652e-04 3.86150194e-04 5.59890466e-04] [-7.99111652e-04 -3.86150194e-04 -5.59890466e-04] [ 7.99111652e-04 3.86150194e-04 -5.59890466e-04] [-3.86150195e-04 -7.99111652e-04 5.59890466e-04] [-3.86150195e-04 -7.99111652e-04 -5.59890466e-04] [ 3.86150195e-04 7.99111652e-04 5.59890466e-04] [ 3.86150195e-04 7.99111652e-04 -5.59890466e-04] [-1.89039011e-04 -1.89039011e-04 -2.46723364e-14] [-1.34232633e-03 1.34232633e-03 1.92026686e-13] [ 1.34232633e-03 -1.34232633e-03 -6.74232941e-14] [ 1.89039011e-04 1.89039011e-04 2.23696929e-14]] Final stress: [ 5.89931895e-05 5.89931895e-05 -2.71569959e-05 1.32983097e-17 2.49343307e-17 -6.76994208e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.43857130e-05 -1.76596467e-04 8.96114780e-15] [ 7.43857131e-05 1.76596467e-04 -9.21485110e-15] [-1.76596467e-04 -7.43857130e-05 -1.34788014e-14] [ 1.76596467e-04 7.43857131e-05 -1.01862963e-14] [ 1.27155231e-15 5.49473661e-15 -6.36115996e-04] [ 1.94844141e-14 1.43773882e-14 6.36115996e-04] [-7.43857130e-05 -1.76596467e-04 1.02664104e-15] [ 7.43857131e-05 1.76596467e-04 -1.76888163e-15] [-1.76596467e-04 -7.43857130e-05 2.44416365e-15] [ 1.76596467e-04 7.43857130e-05 1.15882934e-15] [ 5.50471127e-15 1.99779147e-14 -6.36115996e-04] [-5.41970982e-15 2.31627768e-14 6.36115996e-04] [-1.36715385e-04 -1.36715385e-04 4.89643394e-04] [ 1.36715385e-04 1.36715385e-04 4.89643394e-04] [ 2.40766641e-04 -2.40766641e-04 1.33063081e-04] [-2.40766641e-04 2.40766641e-04 1.33063081e-04] [-1.36715385e-04 -1.36715385e-04 -4.89643394e-04] [ 1.36715385e-04 1.36715385e-04 -4.89643394e-04] [-2.40766641e-04 2.40766641e-04 -1.33063081e-04] [ 2.40766641e-04 -2.40766641e-04 -1.33063081e-04] [-1.36715385e-04 -1.36715385e-04 4.89643394e-04] [ 1.36715385e-04 1.36715385e-04 4.89643394e-04] [ 2.40766641e-04 -2.40766641e-04 1.33063081e-04] [-2.40766641e-04 2.40766641e-04 1.33063081e-04] [-1.36715385e-04 -1.36715385e-04 -4.89643394e-04] [ 1.36715385e-04 1.36715385e-04 -4.89643394e-04] [-2.40766641e-04 2.40766641e-04 -1.33063081e-04] [ 2.40766641e-04 -2.40766641e-04 -1.33063081e-04] [ 2.39530618e-14 -4.23272528e-14 2.65898414e-14] [-6.03297794e-14 7.60807471e-15 2.10621941e-14] [ 2.07082000e-04 1.18322883e-04 -9.62761146e-05] [-2.07082000e-04 -1.18322883e-04 -9.62761145e-05] [ 2.07082000e-04 1.18322883e-04 9.62761145e-05] [-2.07082000e-04 -1.18322883e-04 9.62761145e-05] [ 1.18322883e-04 2.07082000e-04 -9.62761145e-05] [ 1.18322883e-04 2.07082000e-04 9.62761145e-05] [-1.18322883e-04 -2.07082000e-04 -9.62761147e-05] [-1.18322883e-04 -2.07082000e-04 9.62761146e-05] [ 1.09064869e-04 1.09064869e-04 -2.33146835e-15] [ 7.46096315e-04 -7.46096315e-04 -3.12215531e-14] [-7.46096315e-04 7.46096315e-04 -2.68830097e-14] [-1.09064869e-04 -1.09064869e-04 -6.57321420e-14] [ 2.07082000e-04 1.18322883e-04 -9.62761145e-05] [-2.07082000e-04 -1.18322883e-04 -9.62761145e-05] [ 2.07082000e-04 1.18322883e-04 9.62761147e-05] [-2.07082000e-04 -1.18322883e-04 9.62761145e-05] [ 1.18322883e-04 2.07082000e-04 -9.62761145e-05] [ 1.18322883e-04 2.07082000e-04 9.62761146e-05] [-1.18322883e-04 -2.07082000e-04 -9.62761144e-05] [-1.18322883e-04 -2.07082000e-04 9.62761145e-05] [ 1.09064869e-04 1.09064869e-04 9.99947599e-14] [ 7.46096315e-04 -7.46096315e-04 2.73639753e-15] [-7.46096315e-04 7.46096315e-04 1.32344968e-14] [-1.09064869e-04 -1.09064869e-04 -2.00200100e-14]] Final stress: [-5.50698102e-05 -5.50698102e-05 4.14822845e-06 8.31386288e-18 3.65809967e-17 6.57637692e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.24252084e-05 1.79239117e-04 6.61883742e-15] [ 7.24252084e-05 -1.79239117e-04 1.12687637e-14] [ 1.79239117e-04 -7.24252084e-05 1.02660935e-14] [-1.79239117e-04 7.24252084e-05 1.72084569e-15] [-2.51534904e-17 1.67921232e-15 -6.34678693e-04] [ 1.74860126e-15 6.02295991e-15 6.34678693e-04] [-7.24252084e-05 1.79239117e-04 -4.14364053e-15] [ 7.24252084e-05 -1.79239117e-04 3.77437725e-16] [ 1.79239117e-04 -7.24252084e-05 -2.39998993e-15] [-1.79239117e-04 7.24252084e-05 8.94672437e-15] [-3.27602528e-15 2.26578508e-14 -6.34678693e-04] [-1.01784900e-15 8.96280576e-15 6.34678693e-04] [-2.41038108e-04 -2.41038108e-04 -1.31417987e-04] [ 2.41038108e-04 2.41038108e-04 -1.31417987e-04] [ 1.36687226e-04 -1.36687226e-04 -4.86824726e-04] [-1.36687226e-04 1.36687226e-04 -4.86824726e-04] [-2.41038108e-04 -2.41038108e-04 1.31417987e-04] [ 2.41038108e-04 2.41038108e-04 1.31417987e-04] [-1.36687226e-04 1.36687226e-04 4.86824726e-04] [ 1.36687226e-04 -1.36687226e-04 4.86824726e-04] [-2.41038108e-04 -2.41038108e-04 -1.31417988e-04] [ 2.41038108e-04 2.41038108e-04 -1.31417988e-04] [ 1.36687226e-04 -1.36687226e-04 -4.86824726e-04] [-1.36687226e-04 1.36687226e-04 -4.86824726e-04] [-2.41038108e-04 -2.41038108e-04 1.31417987e-04] [ 2.41038108e-04 2.41038108e-04 1.31417987e-04] [-1.36687226e-04 1.36687226e-04 4.86824726e-04] [ 1.36687226e-04 -1.36687226e-04 4.86824726e-04] [-7.10542736e-15 1.04083409e-14 1.19348975e-14] [-3.27385688e-15 -1.73200634e-14 4.23930931e-14] [-2.08086199e-04 1.12770540e-04 -9.16797467e-05] [ 2.08086199e-04 -1.12770540e-04 -9.16797467e-05] [-2.08086199e-04 1.12770540e-04 9.16797466e-05] [ 2.08086199e-04 -1.12770540e-04 9.16797466e-05] [ 1.12770540e-04 -2.08086200e-04 -9.16797467e-05] [ 1.12770540e-04 -2.08086200e-04 9.16797466e-05] [-1.12770540e-04 2.08086199e-04 -9.16797467e-05] [-1.12770540e-04 2.08086199e-04 9.16797467e-05] [-7.46341634e-04 -7.46341634e-04 -2.39808173e-14] [-1.07761704e-04 1.07761704e-04 -3.93365895e-14] [ 1.07761704e-04 -1.07761704e-04 -3.10827752e-14] [ 7.46341634e-04 7.46341634e-04 -1.08402870e-14] [-2.08086199e-04 1.12770540e-04 -9.16797467e-05] [ 2.08086199e-04 -1.12770540e-04 -9.16797466e-05] [-2.08086199e-04 1.12770540e-04 9.16797467e-05] [ 2.08086199e-04 -1.12770540e-04 9.16797467e-05] [ 1.12770540e-04 -2.08086200e-04 -9.16797466e-05] [ 1.12770540e-04 -2.08086199e-04 9.16797467e-05] [-1.12770540e-04 2.08086199e-04 -9.16797466e-05] [-1.12770540e-04 2.08086199e-04 9.16797468e-05] [-7.46341634e-04 -7.46341634e-04 8.50484102e-14] [-1.07761704e-04 1.07761704e-04 2.92652052e-14] [ 1.07761704e-04 -1.07761704e-04 3.06509172e-14] [ 7.46341634e-04 7.46341634e-04 2.73986563e-14]] Final stress: [-5.50472071e-05 -5.50472071e-05 4.14257626e-06 1.82904983e-17 4.98831773e-18 -6.57368742e-05] Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 7.97827291e-02 -8.73032549e-13 5.31950352e-13] [-7.97827291e-02 -7.64860397e-13 -2.22016849e-13] [ 5.08100072e-13 4.69102902e-02 -9.66123015e-13] [ 1.57371338e-12 -4.69102902e-02 -2.71227485e-13] [ 5.79730708e-13 6.44993607e-13 4.69102902e-02] [ 1.66536229e-12 -2.30815367e-13 -4.69102902e-02] [ 7.97827291e-02 9.37710413e-13 2.24300925e-14] [-7.97827291e-02 1.40557010e-12 9.25026795e-13] [-5.15851251e-13 4.69102903e-02 -1.96933314e-14] [-1.48209570e-13 -4.69102902e-02 -3.35064679e-13] [-1.83284377e-13 -1.49407068e-13 4.69102902e-02] [-6.89456738e-13 7.60815751e-13 -4.69102902e-02] [-1.43505423e-03 1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 -1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 -1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 1.27605347e-02 -1.27605347e-02] [ 1.43505423e-03 -1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 -1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 1.27605347e-02 1.27605347e-02] [-1.43505424e-03 1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 -1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 -1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 1.27605347e-02 -1.27605347e-02] [ 1.43505423e-03 -1.27605347e-02 -1.27605347e-02] [-1.43505423e-03 -1.27605347e-02 1.27605347e-02] [ 1.43505423e-03 1.27605347e-02 1.27605347e-02] [ 4.84143281e-12 3.56248364e-12 2.41373588e-12] [-1.64101848e-12 -9.39616450e-12 -6.58980882e-13] [ 7.98405786e-12 3.37394018e-02 3.37394017e-02] [ 7.06703966e-12 -3.37394018e-02 3.37394017e-02] [ 4.12664000e-12 3.37394017e-02 -3.37394017e-02] [ 4.29022760e-12 -3.37394017e-02 -3.37394017e-02] [ 2.76766248e-02 -6.07347506e-12 1.00828299e-02] [ 2.76766248e-02 -3.48194910e-12 -1.00828299e-02] [-2.76766248e-02 -7.07944467e-12 1.00828299e-02] [-2.76766248e-02 -3.82855900e-12 -1.00828299e-02] [ 2.76766248e-02 1.00828298e-02 -1.14186438e-12] [-2.76766248e-02 1.00828299e-02 1.17680865e-12] [ 2.76766248e-02 -1.00828299e-02 -6.10081083e-12] [-2.76766248e-02 -1.00828299e-02 -4.52487006e-12] [ 1.57038315e-12 3.37394017e-02 3.37394017e-02] [ 8.77580994e-13 -3.37394017e-02 3.37394018e-02] [ 9.64746078e-13 3.37394017e-02 -3.37394017e-02] [ 3.04386377e-12 -3.37394017e-02 -3.37394018e-02] [ 2.76766248e-02 5.89223716e-12 1.00828299e-02] [ 2.76766248e-02 -4.94635582e-13 -1.00828299e-02] [-2.76766248e-02 5.87257890e-12 1.00828299e-02] [-2.76766248e-02 -2.78325626e-12 -1.00828298e-02] [ 2.76766248e-02 1.00828299e-02 1.24677301e-12] [-2.76766248e-02 1.00828299e-02 1.22651635e-13] [ 2.76766248e-02 -1.00828299e-02 8.30086623e-12] [-2.76766248e-02 -1.00828299e-02 6.24584846e-12]] Final stress: [-1.87575050e-03 3.36658268e-04 3.36658268e-04 -2.65956515e-17 1.52758773e-15 -1.15691084e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.33885943e-02 -6.82824939e-12 9.85526005e-13] [ 6.33885943e-02 -3.43117201e-12 3.23646665e-12] [ 5.56105552e-12 5.49875372e-03 -3.68313669e-12] [ 4.36378711e-12 -5.49875372e-03 -2.35417241e-12] [ 5.40808023e-12 -7.70921998e-12 5.49875371e-03] [ 5.04768449e-12 -5.00216535e-12 -5.49875372e-03] [-6.33885944e-02 -5.00313332e-12 1.00914058e-11] [ 6.33885943e-02 -4.65384632e-12 8.39045613e-12] [-6.28025323e-12 5.49875371e-03 -3.40286438e-12] [-7.71440811e-12 -5.49875372e-03 6.99964956e-12] [-1.04844215e-12 -1.82003568e-12 5.49875373e-03] [-2.65389316e-12 -9.14609183e-12 -5.49875371e-03] [ 1.29591678e-02 -4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 -4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 -4.85000686e-02 4.85000686e-02] [-1.29591678e-02 4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 -4.85000686e-02 -4.85000686e-02] [ 1.29591678e-02 -4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 -4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 -4.85000686e-02 4.85000686e-02] [-1.29591678e-02 4.85000686e-02 4.85000686e-02] [ 1.29591678e-02 4.85000686e-02 -4.85000686e-02] [-1.29591678e-02 -4.85000686e-02 -4.85000686e-02] [ 2.07258932e-11 -6.46274700e-12 -1.82218685e-11] [-5.22870853e-12 3.76749525e-13 1.70197730e-11] [ 1.01191278e-11 -3.62756413e-02 -3.62756413e-02] [ 1.27782524e-11 3.62756413e-02 -3.62756413e-02] [ 1.31421575e-11 -3.62756412e-02 3.62756413e-02] [ 1.81336508e-11 3.62756412e-02 3.62756413e-02] [-2.31628749e-03 5.72286663e-12 -3.05430764e-03] [-2.31628748e-03 1.05878310e-11 3.05430764e-03] [ 2.31628754e-03 -1.40436621e-12 -3.05430762e-03] [ 2.31628752e-03 3.47589722e-12 3.05430762e-03] [-2.31628751e-03 -3.05430760e-03 4.75308681e-12] [ 2.31628754e-03 -3.05430761e-03 -3.99542205e-12] [-2.31628751e-03 3.05430763e-03 -5.37619081e-12] [ 2.31628754e-03 3.05430761e-03 -7.34205226e-12] [-2.50282885e-12 -3.62756412e-02 -3.62756413e-02] [ 6.01157566e-12 3.62756412e-02 -3.62756413e-02] [-6.04170374e-12 -3.62756412e-02 3.62756412e-02] [-2.38393090e-11 3.62756413e-02 3.62756412e-02] [-2.31628753e-03 -7.81388624e-12 -3.05430762e-03] [-2.31628753e-03 1.10424354e-12 3.05430763e-03] [ 2.31628753e-03 -8.85954591e-12 -3.05430764e-03] [ 2.31628751e-03 -4.29238763e-12 3.05430763e-03] [-2.31628752e-03 -3.05430762e-03 -1.10937152e-12] [ 2.31628749e-03 -3.05430765e-03 -9.60927518e-13] [-2.31628753e-03 3.05430759e-03 -7.55540609e-12] [ 2.31628750e-03 3.05430764e-03 1.47606320e-13]] Final stress: [-7.62804657e-04 -7.78898603e-04 -7.78898603e-04 -2.85807743e-14 1.24230257e-14 -4.59440770e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.98287456e-04 5.21440530e-14 1.38465628e-14] [-5.98287456e-04 4.08562073e-14 4.59632332e-14] [ 1.48197427e-14 5.98287456e-04 9.45597767e-15] [-1.07414078e-14 -5.98287456e-04 -3.61377595e-14] [-5.05958123e-14 5.68134949e-14 -7.73221968e-05] [-5.98132655e-14 -2.59237076e-14 7.73221969e-05] [ 5.98287456e-04 -1.29844052e-14 -3.00857828e-14] [-5.98287456e-04 5.54768904e-14 -4.07964436e-14] [ 1.47685683e-14 5.98287456e-04 5.94897447e-14] [ 7.93059195e-14 -5.98287456e-04 -1.76175399e-14] [-2.70070424e-14 -4.21123834e-15 -7.73221970e-05] [-8.83538034e-15 6.04735875e-15 7.73221968e-05] [ 4.13500745e-05 4.13500745e-05 3.53698650e-04] [-4.13500746e-05 -4.13500746e-05 3.53698650e-04] [-4.13500745e-05 4.13500746e-05 -3.53698650e-04] [ 4.13500745e-05 -4.13500745e-05 -3.53698650e-04] [ 4.13500745e-05 4.13500745e-05 -3.53698650e-04] [-4.13500746e-05 -4.13500745e-05 -3.53698650e-04] [ 4.13500745e-05 -4.13500745e-05 3.53698650e-04] [-4.13500745e-05 4.13500746e-05 3.53698650e-04] [ 4.13500747e-05 4.13500744e-05 3.53698650e-04] [-4.13500745e-05 -4.13500745e-05 3.53698650e-04] [-4.13500745e-05 4.13500745e-05 -3.53698650e-04] [ 4.13500745e-05 -4.13500746e-05 -3.53698650e-04] [ 4.13500744e-05 4.13500745e-05 -3.53698650e-04] [-4.13500745e-05 -4.13500745e-05 -3.53698650e-04] [ 4.13500745e-05 -4.13500745e-05 3.53698650e-04] [-4.13500745e-05 4.13500745e-05 3.53698650e-04] [-2.22655228e-13 5.77038417e-14 9.16766663e-14] [ 1.01275759e-13 2.06464828e-14 2.26571137e-14] [-7.94919686e-14 5.52345047e-05 2.76500062e-04] [-6.10483886e-14 -5.52345043e-05 2.76500063e-04] [ 1.33087985e-14 5.52345043e-05 -2.76500063e-04] [-1.05618639e-13 -5.52345043e-05 -2.76500063e-04] [ 5.52345040e-05 -4.72955008e-14 2.76500063e-04] [ 5.52345040e-05 4.97761554e-14 -2.76500063e-04] [-5.52345043e-05 -5.29090660e-14 2.76500063e-04] [-5.52345043e-05 1.50763083e-13 -2.76500063e-04] [-8.55575809e-05 -8.55575807e-05 2.32813768e-13] [ 8.55575811e-05 -8.55575805e-05 1.11619047e-13] [-8.55575806e-05 8.55575810e-05 1.42960296e-13] [ 8.55575808e-05 8.55575808e-05 1.16850973e-13] [-5.97490807e-14 5.52345042e-05 2.76500063e-04] [ 5.98245412e-14 -5.52345045e-05 2.76500062e-04] [-9.08218813e-14 5.52345042e-05 -2.76500063e-04] [-3.34146773e-14 -5.52345043e-05 -2.76500063e-04] [ 5.52345043e-05 -1.62744318e-13 2.76500063e-04] [ 5.52345042e-05 -1.98589192e-13 -2.76500063e-04] [-5.52345045e-05 -1.18478578e-13 2.76500063e-04] [-5.52345043e-05 -1.33798788e-13 -2.76500063e-04] [-8.55575807e-05 -8.55575810e-05 -3.00635650e-14] [ 8.55575812e-05 -8.55575805e-05 -9.37332453e-14] [-8.55575809e-05 8.55575807e-05 1.77976018e-13] [ 8.55575812e-05 8.55575805e-05 1.99040437e-13]] Final stress: [ 2.88953050e-05 2.88953049e-05 7.43858630e-05 2.97538849e-16 -1.09707061e-16 -1.72871733e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.58667599e-03 2.61585892e-13 1.64590563e-14] [ 3.58667599e-03 1.54293245e-13 -5.60940183e-14] [ 5.17342245e-14 -3.58667599e-03 2.45823327e-13] [ 1.03778097e-13 3.58667599e-03 3.28403971e-13] [-1.42308040e-14 3.19406827e-13 -1.40641398e-03] [-2.99177350e-13 1.77358128e-13 1.40641397e-03] [-3.58667599e-03 -8.12219215e-14 -6.30186033e-14] [ 3.58667599e-03 -5.69253845e-14 -2.54324864e-13] [-1.55771229e-13 -3.58667599e-03 1.13663106e-13] [ 1.07174686e-13 3.58667599e-03 -3.36164347e-14] [-1.19334230e-13 -1.67410574e-13 -1.40641398e-03] [ 2.04888190e-14 9.96384332e-14 1.40641397e-03] [ 5.24846144e-05 5.24846142e-05 -1.08281792e-03] [-5.24846142e-05 -5.24846139e-05 -1.08281792e-03] [-5.24846141e-05 5.24846142e-05 1.08281792e-03] [ 5.24846140e-05 -5.24846141e-05 1.08281792e-03] [ 5.24846143e-05 5.24846143e-05 1.08281792e-03] [-5.24846138e-05 -5.24846136e-05 1.08281792e-03] [ 5.24846140e-05 -5.24846143e-05 -1.08281792e-03] [-5.24846141e-05 5.24846142e-05 -1.08281792e-03] [ 5.24846134e-05 5.24846133e-05 -1.08281792e-03] [-5.24846141e-05 -5.24846140e-05 -1.08281792e-03] [-5.24846142e-05 5.24846141e-05 1.08281792e-03] [ 5.24846142e-05 -5.24846142e-05 1.08281792e-03] [ 5.24846138e-05 5.24846135e-05 1.08281792e-03] [-5.24846149e-05 -5.24846146e-05 1.08281792e-03] [ 5.24846138e-05 -5.24846140e-05 -1.08281792e-03] [-5.24846138e-05 5.24846136e-05 -1.08281792e-03] [ 8.91869911e-13 1.46843648e-12 2.44004816e-12] [-7.94407509e-13 -4.84811924e-13 6.95698260e-13] [-1.17861276e-12 3.43869551e-04 6.63539362e-05] [-9.21660318e-13 -3.43869550e-04 6.63539374e-05] [-1.41310574e-13 3.43869550e-04 -6.63539361e-05] [ 4.13434911e-13 -3.43869550e-04 -6.63539362e-05] [ 3.43869552e-04 -3.03979064e-13 6.63539355e-05] [ 3.43869548e-04 6.59533192e-13 -6.63539385e-05] [-3.43869553e-04 -1.05126151e-12 6.63539339e-05] [-3.43869550e-04 -1.13565407e-13 -6.63539363e-05] [ 9.87484576e-04 9.87484576e-04 1.51523238e-12] [-9.87484577e-04 9.87484575e-04 9.54365059e-13] [ 9.87484575e-04 -9.87484577e-04 9.27100410e-13] [-9.87484575e-04 -9.87484576e-04 -3.96800648e-13] [ 9.60316028e-13 3.43869550e-04 6.63539365e-05] [ 9.24560341e-13 -3.43869550e-04 6.63539370e-05] [ 6.10393680e-13 3.43869553e-04 -6.63539334e-05] [ 7.92668448e-13 -3.43869551e-04 -6.63539361e-05] [ 3.43869551e-04 6.41497325e-13 6.63539360e-05] [ 3.43869550e-04 -1.86903227e-13 -6.63539363e-05] [-3.43869551e-04 1.83629587e-13 6.63539359e-05] [-3.43869549e-04 -3.15021446e-13 -6.63539383e-05] [ 9.87484576e-04 9.87484575e-04 4.57655937e-13] [-9.87484575e-04 9.87484576e-04 1.28061992e-12] [ 9.87484576e-04 -9.87484576e-04 1.29376451e-12] [-9.87484574e-04 -9.87484577e-04 2.07651040e-12]] Final stress: [-1.27819508e-05 -1.27819508e-05 -1.26174257e-04 -1.26375310e-16 6.06934056e-16 -2.32796624e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.48537783e-04 2.17959331e-14 -2.81029540e-14] [-9.48537783e-04 -6.18949336e-15 -3.43336470e-14] [-8.94900473e-15 6.54830285e-06 7.89958376e-14] [ 6.29774011e-14 -6.54830279e-06 3.93574062e-14] [-2.77377947e-14 8.94857105e-14 9.48537783e-04] [-3.55548924e-14 5.34017275e-14 -9.48537783e-04] [ 9.48537783e-04 5.53172959e-14 9.39362512e-14] [-9.48537783e-04 -7.38298311e-15 6.08832018e-14] [-1.21339570e-14 6.54830318e-06 4.07141515e-14] [-1.24943458e-15 -6.54830284e-06 1.08835741e-14] [-5.46784840e-15 -2.63884334e-14 9.48537783e-04] [ 2.02086611e-14 3.18334434e-14 -9.48537783e-04] [ 6.04315576e-05 4.85530524e-04 6.04315575e-05] [-6.04315574e-05 -4.85530524e-04 6.04315574e-05] [-6.04315575e-05 4.85530524e-04 -6.04315577e-05] [ 6.04315574e-05 -4.85530524e-04 -6.04315575e-05] [ 6.04315575e-05 4.85530524e-04 -6.04315575e-05] [-6.04315574e-05 -4.85530524e-04 -6.04315575e-05] [ 6.04315574e-05 -4.85530524e-04 6.04315574e-05] [-6.04315575e-05 4.85530524e-04 6.04315575e-05] [ 6.04315575e-05 4.85530524e-04 6.04315575e-05] [-6.04315575e-05 -4.85530524e-04 6.04315575e-05] [-6.04315575e-05 4.85530524e-04 -6.04315575e-05] [ 6.04315577e-05 -4.85530524e-04 -6.04315575e-05] [ 6.04315575e-05 4.85530524e-04 -6.04315575e-05] [-6.04315576e-05 -4.85530524e-04 -6.04315575e-05] [ 6.04315575e-05 -4.85530524e-04 6.04315576e-05] [-6.04315575e-05 4.85530524e-04 6.04315575e-05] [-5.09592368e-14 4.33542091e-14 1.10411680e-13] [ 5.41437555e-14 -3.35955774e-13 2.34236269e-13] [ 4.97379915e-14 4.15632479e-04 -8.40475126e-05] [-8.62643290e-14 -4.15632479e-04 -8.40475132e-05] [ 8.64378014e-14 4.15632479e-04 8.40475129e-05] [-1.05367104e-13 -4.15632480e-04 8.40475134e-05] [-1.60802549e-04 -4.96047647e-13 -1.60802549e-04] [-1.60802549e-04 -2.23055949e-13 1.60802550e-04] [ 1.60802548e-04 -3.36258799e-13 -1.60802550e-04] [ 1.60802548e-04 -1.43116421e-13 1.60802550e-04] [-8.40475135e-05 4.15632480e-04 2.24820162e-13] [ 8.40475139e-05 4.15632480e-04 3.98171079e-13] [-8.40475135e-05 -4.15632480e-04 4.12656020e-14] [ 8.40475139e-05 -4.15632480e-04 -8.12856726e-14] [-8.82531895e-14 4.15632480e-04 -8.40475139e-05] [-1.53103225e-13 -4.15632480e-04 -8.40475140e-05] [-9.50984083e-14 4.15632480e-04 8.40475142e-05] [ 3.55986941e-14 -4.15632480e-04 8.40475136e-05] [-1.60802549e-04 2.19137936e-13 -1.60802549e-04] [-1.60802550e-04 -1.97587172e-14 1.60802548e-04] [ 1.60802549e-04 -5.51459919e-14 -1.60802549e-04] [ 1.60802549e-04 3.26895629e-14 1.60802549e-04] [-8.40475131e-05 4.15632479e-04 -5.60914970e-14] [ 8.40475136e-05 4.15632480e-04 -6.28142219e-14] [-8.40475123e-05 -4.15632479e-04 -1.26382093e-14] [ 8.40475126e-05 -4.15632479e-04 -1.04366168e-13]] Final stress: [ 2.50546592e-05 8.07627795e-05 2.50546592e-05 1.64560592e-16 -4.98668461e-18 -1.04720377e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.85327598e-03 -1.67157520e-13 8.72266669e-14] [ 3.85327598e-03 -5.86197757e-14 -2.53463917e-13] [-1.35388228e-13 -1.62547396e-03 -1.61358774e-13] [-1.02889919e-13 1.62547396e-03 5.85087534e-14] [ 1.11223530e-13 4.25335548e-13 -3.85327598e-03] [ 1.17350574e-13 -1.23706601e-13 3.85327598e-03] [-3.85327598e-03 1.26570195e-13 -1.02717494e-13] [ 3.85327598e-03 -5.28323045e-14 1.51843663e-13] [-1.33196839e-13 -1.62547396e-03 4.56786485e-14] [-2.16354712e-13 1.62547396e-03 -2.03109616e-13] [ 7.57397617e-14 -1.58630708e-13 -3.85327598e-03] [-4.51201576e-14 1.84471608e-13 3.85327598e-03] [ 7.89748660e-05 -1.10921419e-03 7.89748654e-05] [-7.89748650e-05 1.10921419e-03 7.89748657e-05] [-7.89748654e-05 -1.10921419e-03 -7.89748657e-05] [ 7.89748658e-05 1.10921419e-03 -7.89748662e-05] [ 7.89748655e-05 -1.10921419e-03 -7.89748661e-05] [-7.89748650e-05 1.10921419e-03 -7.89748659e-05] [ 7.89748660e-05 1.10921419e-03 7.89748655e-05] [-7.89748653e-05 -1.10921419e-03 7.89748656e-05] [ 7.89748658e-05 -1.10921419e-03 7.89748652e-05] [-7.89748660e-05 1.10921419e-03 7.89748659e-05] [-7.89748657e-05 -1.10921419e-03 -7.89748660e-05] [ 7.89748666e-05 1.10921419e-03 -7.89748652e-05] [ 7.89748658e-05 -1.10921419e-03 -7.89748653e-05] [-7.89748660e-05 1.10921419e-03 -7.89748656e-05] [ 7.89748658e-05 1.10921419e-03 7.89748657e-05] [-7.89748661e-05 -1.10921419e-03 7.89748658e-05] [ 1.07427955e-12 -6.84174939e-14 -5.68545211e-13] [-6.74265331e-14 -4.06518455e-13 -1.04376663e-13] [-1.76025861e-12 1.04185719e-04 4.32471870e-04] [-2.14300799e-13 -1.04185717e-04 4.32471872e-04] [-1.32211776e-12 1.04185720e-04 -4.32471869e-04] [-2.80563767e-13 -1.04185718e-04 -4.32471871e-04] [ 1.08438145e-03 -2.85993451e-13 1.08438146e-03] [ 1.08438146e-03 1.76740914e-12 -1.08438145e-03] [-1.08438146e-03 -4.13301338e-13 1.08438146e-03] [-1.08438146e-03 4.62564015e-13 -1.08438145e-03] [ 4.32471867e-04 1.04185721e-04 2.07078799e-12] [-4.32471868e-04 1.04185721e-04 1.96847573e-12] [ 4.32471868e-04 -1.04185721e-04 9.55777124e-13] [-4.32471869e-04 -1.04185720e-04 7.49591361e-14] [ 9.19479336e-13 1.04185721e-04 4.32471868e-04] [ 2.05913845e-13 -1.04185723e-04 4.32471865e-04] [ 6.71566535e-13 1.04185719e-04 -4.32471869e-04] [ 8.31691053e-13 -1.04185718e-04 -4.32471870e-04] [ 1.08438146e-03 -6.32777684e-13 1.08438146e-03] [ 1.08438145e-03 -1.27396314e-12 -1.08438146e-03] [-1.08438146e-03 -7.06437946e-13 1.08438146e-03] [-1.08438145e-03 -3.90753836e-13 -1.08438146e-03] [ 4.32471871e-04 1.04185718e-04 -4.25058277e-13] [-4.32471870e-04 1.04185719e-04 -8.49937511e-13] [ 4.32471871e-04 -1.04185718e-04 -4.93478559e-13] [-4.32471868e-04 -1.04185722e-04 -1.66061175e-13]] Final stress: [-1.29762161e-05 -1.29900833e-04 -1.29762161e-05 2.19493960e-16 5.07164074e-16 3.44206437e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.75758710e-02 1.02268151e-12 -4.74193666e-12] [ 5.75758709e-02 -2.18422502e-12 3.27404770e-12] [-3.56884921e-12 1.68614546e-03 1.91004415e-02] [ 1.96578864e-12 -1.68614546e-03 -1.91004415e-02] [ 1.69899121e-12 1.91004415e-02 1.68614546e-03] [-1.32857614e-12 -1.91004415e-02 -1.68614547e-03] [-5.75758710e-02 -2.53968374e-12 -7.00087739e-13] [ 5.75758710e-02 1.44929208e-12 -5.13836237e-12] [-6.17007313e-13 1.68614547e-03 1.91004415e-02] [-4.82593306e-12 -1.68614547e-03 -1.91004415e-02] [-4.72379124e-12 1.91004415e-02 1.68614547e-03] [-2.79358784e-12 -1.91004415e-02 -1.68614547e-03] [ 6.75647144e-02 -1.95573652e-02 -1.95573652e-02] [ 2.78864060e-02 3.19610413e-02 -3.19610413e-02] [ 2.78864060e-02 -3.19610413e-02 3.19610413e-02] [ 6.75647144e-02 1.95573652e-02 1.95573652e-02] [-2.78864060e-02 -3.19610413e-02 3.19610413e-02] [-6.75647144e-02 1.95573652e-02 1.95573652e-02] [-2.78864060e-02 3.19610413e-02 -3.19610413e-02] [-6.75647144e-02 -1.95573652e-02 -1.95573652e-02] [ 6.75647144e-02 -1.95573652e-02 -1.95573652e-02] [ 2.78864060e-02 3.19610413e-02 -3.19610413e-02] [ 2.78864060e-02 -3.19610413e-02 3.19610413e-02] [ 6.75647144e-02 1.95573652e-02 1.95573652e-02] [-2.78864060e-02 -3.19610413e-02 3.19610413e-02] [-6.75647144e-02 1.95573652e-02 1.95573652e-02] [-2.78864060e-02 3.19610413e-02 -3.19610413e-02] [-6.75647144e-02 -1.95573652e-02 -1.95573652e-02] [ 2.37015962e-12 1.28586031e-12 6.18058382e-12] [-6.87036235e-12 1.66973077e-12 -1.38656244e-12] [-1.61652913e-11 1.19344221e-01 1.19344221e-01] [-1.33931217e-11 7.71879221e-02 -7.71879221e-02] [ 9.53993828e-13 -7.71879221e-02 7.71879221e-02] [-2.00846111e-12 -1.19344221e-01 -1.19344221e-01] [ 1.37620950e-03 2.37369705e-02 3.94492936e-02] [ 1.37620949e-03 -2.37369705e-02 -3.94492936e-02] [-1.37620948e-03 2.37369705e-02 3.94492936e-02] [-1.37620948e-03 -2.37369705e-02 -3.94492936e-02] [ 1.37620947e-03 3.94492936e-02 2.37369705e-02] [-1.37620951e-03 3.94492936e-02 2.37369705e-02] [ 1.37620951e-03 -3.94492936e-02 -2.37369705e-02] [-1.37620953e-03 -3.94492936e-02 -2.37369705e-02] [ 5.41656997e-13 1.19344221e-01 1.19344221e-01] [ 2.03169157e-11 7.71879221e-02 -7.71879221e-02] [-1.05458563e-11 -7.71879221e-02 7.71879221e-02] [ 3.61666166e-12 -1.19344221e-01 -1.19344221e-01] [ 1.37620951e-03 2.37369705e-02 3.94492936e-02] [ 1.37620954e-03 -2.37369705e-02 -3.94492936e-02] [-1.37620950e-03 2.37369705e-02 3.94492936e-02] [-1.37620950e-03 -2.37369705e-02 -3.94492936e-02] [ 1.37620950e-03 3.94492936e-02 2.37369705e-02] [-1.37620951e-03 3.94492936e-02 2.37369705e-02] [ 1.37620948e-03 -3.94492936e-02 -2.37369705e-02] [-1.37620950e-03 -3.94492936e-02 -2.37369705e-02]] Final stress: [ 5.61846384e-04 -3.96015985e-04 -3.96015985e-04 -6.88158983e-05 -9.24617354e-15 -9.03335027e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-5.75746634e-02 -8.73864566e-13 1.00929139e-12] [ 5.75746634e-02 -1.51159640e-12 -1.58947855e-12] [-4.30793031e-12 1.68544550e-03 -1.90991264e-02] [ 3.64858144e-12 -1.68544550e-03 1.90991264e-02] [-6.87083550e-12 -1.90991264e-02 1.68544550e-03] [-4.96408470e-13 1.90991264e-02 -1.68544552e-03] [-5.75746634e-02 3.09805480e-12 7.75620551e-12] [ 5.75746634e-02 -7.88988232e-13 -9.09422514e-13] [ 3.26663523e-12 1.68544552e-03 -1.90991264e-02] [ 9.42345160e-13 -1.68544550e-03 1.90991264e-02] [ 5.79773122e-12 -1.90991264e-02 1.68544551e-03] [ 1.12936787e-12 1.90991264e-02 -1.68544551e-03] [-2.78851392e-02 -3.19601867e-02 -3.19601867e-02] [-6.75635094e-02 1.95567659e-02 -1.95567659e-02] [-6.75635095e-02 -1.95567659e-02 1.95567659e-02] [-2.78851392e-02 3.19601867e-02 3.19601867e-02] [ 6.75635094e-02 -1.95567659e-02 1.95567659e-02] [ 2.78851392e-02 3.19601867e-02 3.19601867e-02] [ 6.75635094e-02 1.95567659e-02 -1.95567659e-02] [ 2.78851392e-02 -3.19601867e-02 -3.19601867e-02] [-2.78851392e-02 -3.19601867e-02 -3.19601867e-02] [-6.75635094e-02 1.95567659e-02 -1.95567659e-02] [-6.75635095e-02 -1.95567659e-02 1.95567659e-02] [-2.78851392e-02 3.19601867e-02 3.19601867e-02] [ 6.75635094e-02 -1.95567659e-02 1.95567659e-02] [ 2.78851392e-02 3.19601867e-02 3.19601867e-02] [ 6.75635094e-02 1.95567659e-02 -1.95567659e-02] [ 2.78851392e-02 -3.19601867e-02 -3.19601867e-02] [ 7.11469772e-12 8.70675754e-12 2.30058472e-11] [ 5.02569557e-12 -2.67818433e-12 4.60925359e-12] [-1.13318244e-11 -7.71868292e-02 -7.71868291e-02] [-1.13784676e-12 -1.19338807e-01 1.19338807e-01] [-2.02022427e-12 1.19338807e-01 -1.19338807e-01] [-3.89983185e-14 7.71868291e-02 7.71868291e-02] [ 1.37648096e-03 -2.37366512e-02 3.94476866e-02] [ 1.37648096e-03 2.37366511e-02 -3.94476866e-02] [-1.37648096e-03 -2.37366512e-02 3.94476866e-02] [-1.37648096e-03 2.37366511e-02 -3.94476866e-02] [ 1.37648099e-03 3.94476866e-02 -2.37366511e-02] [-1.37648100e-03 3.94476866e-02 -2.37366511e-02] [ 1.37648098e-03 -3.94476866e-02 2.37366512e-02] [-1.37648100e-03 -3.94476866e-02 2.37366511e-02] [ 4.07813323e-12 -7.71868292e-02 -7.71868291e-02] [ 4.20752886e-12 -1.19338807e-01 1.19338807e-01] [-5.30087692e-13 1.19338807e-01 -1.19338807e-01] [ 5.28066566e-12 7.71868292e-02 7.71868291e-02] [ 1.37648098e-03 -2.37366511e-02 3.94476866e-02] [ 1.37648099e-03 2.37366512e-02 -3.94476866e-02] [-1.37648098e-03 -2.37366512e-02 3.94476866e-02] [-1.37648096e-03 2.37366512e-02 -3.94476866e-02] [ 1.37648096e-03 3.94476866e-02 -2.37366511e-02] [-1.37648096e-03 3.94476866e-02 -2.37366512e-02] [ 1.37648100e-03 -3.94476866e-02 2.37366512e-02] [-1.37648099e-03 -3.94476866e-02 2.37366511e-02]] Final stress: [ 5.61894154e-04 -3.96017135e-04 -3.96017135e-04 6.88221462e-05 7.93265491e-15 -5.64813011e-15] Minimization converged after 54 steps. Minimization converged after 52 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.33774730e-02 -9.56425694e-13 -9.96341486e-03] [ 4.33774729e-02 3.19755333e-12 9.96341486e-03] [ 5.42798011e-13 -1.40678093e-02 5.23378563e-12] [-1.97319938e-12 1.40678093e-02 9.49518242e-14] [-5.20754988e-03 -3.03870037e-12 -8.94604528e-03] [ 5.20754988e-03 -3.72729625e-13 8.94604528e-03] [-4.33774730e-02 5.86959301e-13 -9.96341486e-03] [ 4.33774730e-02 -3.28844027e-12 9.96341485e-03] [-3.73671363e-12 -1.40678093e-02 -2.27353471e-12] [ 1.50168203e-12 1.40678093e-02 -6.18266369e-12] [-5.20754989e-03 -1.63942693e-12 -8.94604528e-03] [ 5.20754988e-03 4.07264175e-12 8.94604529e-03] [ 2.38118825e-02 1.60657354e-02 -6.59969210e-03] [-1.40506734e-02 5.64227099e-02 -2.96451478e-02] [-2.38118825e-02 1.60657354e-02 6.59969211e-03] [ 1.40506734e-02 5.64227099e-02 2.96451478e-02] [ 1.40506734e-02 -5.64227098e-02 2.96451478e-02] [-2.38118825e-02 -1.60657354e-02 6.59969211e-03] [ 2.38118826e-02 -1.60657354e-02 -6.59969210e-03] [-1.40506734e-02 -5.64227099e-02 -2.96451478e-02] [ 2.38118826e-02 1.60657354e-02 -6.59969211e-03] [-1.40506734e-02 5.64227099e-02 -2.96451478e-02] [-2.38118825e-02 1.60657354e-02 6.59969211e-03] [ 1.40506733e-02 5.64227099e-02 2.96451478e-02] [ 1.40506734e-02 -5.64227099e-02 2.96451478e-02] [-2.38118825e-02 -1.60657354e-02 6.59969211e-03] [ 2.38118826e-02 -1.60657354e-02 -6.59969211e-03] [-1.40506734e-02 -5.64227099e-02 -2.96451478e-02] [ 5.39018830e-12 -8.20918333e-12 -2.25899854e-12] [-1.05066867e-11 -6.26473086e-12 -2.07454921e-12] [ 6.74608336e-03 -2.82016729e-03 5.84473721e-04] [ 6.74608336e-03 2.82016728e-03 5.84473720e-04] [-6.74608339e-03 -2.82016729e-03 -5.84473721e-04] [-6.74608337e-03 2.82016729e-03 -5.84473719e-04] [ 6.14399273e-02 -1.72084569e-13 8.92466126e-02] [-6.70947745e-02 1.15717713e-11 4.26976956e-02] [ 6.70947745e-02 -6.39430002e-12 -4.26976957e-02] [-6.14399273e-02 -3.02526927e-12 -8.92466126e-02] [ 3.19746466e-03 2.40790409e-02 1.85658539e-02] [-3.19746467e-03 2.40790408e-02 -1.85658539e-02] [ 3.19746467e-03 -2.40790409e-02 1.85658539e-02] [-3.19746469e-03 -2.40790408e-02 -1.85658540e-02] [ 6.74608339e-03 -2.82016728e-03 5.84473708e-04] [ 6.74608338e-03 2.82016725e-03 5.84473683e-04] [-6.74608336e-03 -2.82016726e-03 -5.84473692e-04] [-6.74608336e-03 2.82016724e-03 -5.84473681e-04] [ 6.14399273e-02 -1.17085251e-11 8.92466126e-02] [-6.70947745e-02 -2.78440433e-12 4.26976956e-02] [ 6.70947745e-02 -6.73114299e-12 -4.26976956e-02] [-6.14399273e-02 -1.05220910e-12 -8.92466126e-02] [ 3.19746470e-03 2.40790408e-02 1.85658540e-02] [-3.19746469e-03 2.40790408e-02 -1.85658539e-02] [ 3.19746472e-03 -2.40790408e-02 1.85658540e-02] [-3.19746470e-03 -2.40790408e-02 -1.85658539e-02]] Final stress: [ 8.33046053e-04 -6.57403205e-04 -6.96045018e-04 -6.75880155e-15 3.31303367e-06 -6.12864515e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.44259893e-02 9.48925942e-13 1.00409705e-02] [ 4.44259893e-02 2.89712698e-13 -1.00409705e-02] [ 4.01786850e-12 -1.39831855e-02 3.87561207e-12] [ 6.06611983e-12 1.39831855e-02 8.32472979e-13] [ 4.71936753e-03 -1.61579474e-12 -8.26772237e-03] [-4.71936753e-03 1.11652354e-12 8.26772234e-03] [-4.44259893e-02 1.04435904e-12 1.00409705e-02] [ 4.44259894e-02 -7.22668453e-14 -1.00409705e-02] [-1.16661628e-12 -1.39831855e-02 -7.44738737e-12] [-3.15680121e-12 1.39831855e-02 -6.37051188e-12] [ 4.71936753e-03 -5.83248214e-13 -8.26772235e-03] [-4.71936753e-03 2.25238131e-12 8.26772235e-03] [ 1.44731605e-02 -5.93285066e-02 -3.15786138e-02] [-2.46142510e-02 -1.65136557e-02 -6.71109024e-03] [-1.44731605e-02 -5.93285066e-02 3.15786139e-02] [ 2.46142510e-02 -1.65136558e-02 6.71109024e-03] [ 2.46142510e-02 1.65136558e-02 6.71109023e-03] [-1.44731605e-02 5.93285066e-02 3.15786138e-02] [ 1.44731605e-02 5.93285066e-02 -3.15786138e-02] [-2.46142510e-02 1.65136558e-02 -6.71109025e-03] [ 1.44731605e-02 -5.93285066e-02 -3.15786138e-02] [-2.46142510e-02 -1.65136558e-02 -6.71109024e-03] [-1.44731605e-02 -5.93285066e-02 3.15786138e-02] [ 2.46142510e-02 -1.65136558e-02 6.71109025e-03] [ 2.46142510e-02 1.65136558e-02 6.71109024e-03] [-1.44731605e-02 5.93285066e-02 3.15786138e-02] [ 1.44731605e-02 5.93285066e-02 -3.15786138e-02] [-2.46142510e-02 1.65136558e-02 -6.71109024e-03] [ 7.40821293e-12 -1.89959160e-12 1.73927817e-11] [-1.00274303e-11 -6.54326957e-13 8.95687031e-12] [-6.97398476e-03 -1.35575338e-03 2.42335303e-03] [-6.97398475e-03 1.35575337e-03 2.42335301e-03] [ 6.97398474e-03 -1.35575339e-03 -2.42335304e-03] [ 6.97398474e-03 1.35575341e-03 -2.42335304e-03] [-7.12942966e-02 3.02258218e-12 -4.62055422e-02] [ 6.61495943e-02 1.44575966e-11 -9.45085115e-02] [-6.61495943e-02 1.94401266e-12 9.45085115e-02] [ 7.12942966e-02 5.53187058e-12 4.62055422e-02] [ 4.29185724e-03 2.51811658e-02 -1.98143967e-02] [-4.29185724e-03 2.51811658e-02 1.98143967e-02] [ 4.29185725e-03 -2.51811658e-02 -1.98143967e-02] [-4.29185726e-03 -2.51811658e-02 1.98143967e-02] [-6.97398474e-03 -1.35575336e-03 2.42335301e-03] [-6.97398474e-03 1.35575334e-03 2.42335299e-03] [ 6.97398476e-03 -1.35575335e-03 -2.42335300e-03] [ 6.97398476e-03 1.35575335e-03 -2.42335300e-03] [-7.12942967e-02 -9.28497586e-12 -4.62055422e-02] [ 6.61495943e-02 3.25184215e-12 -9.45085115e-02] [-6.61495943e-02 -9.15242144e-12 9.45085116e-02] [ 7.12942967e-02 1.72058765e-12 4.62055422e-02] [ 4.29185729e-03 2.51811657e-02 -1.98143967e-02] [-4.29185727e-03 2.51811657e-02 1.98143967e-02] [ 4.29185729e-03 -2.51811657e-02 -1.98143967e-02] [-4.29185727e-03 -2.51811658e-02 1.98143967e-02]] Final stress: [ 7.87140030e-04 -6.91062505e-04 -7.39317256e-04 -4.62724347e-15 -1.43948092e-05 6.32484160e-15] Minimization converged after 45 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.38789173e-02 -1.01131234e-02 1.46038650e-12] [ 4.38789173e-02 1.01131234e-02 -2.90897861e-12] [-5.08420119e-03 -8.54825489e-03 7.58451461e-13] [ 5.08420119e-03 8.54825492e-03 -8.07881539e-13] [ 1.94786288e-12 -4.11835930e-13 -1.39526303e-02] [ 5.69871927e-12 2.65149014e-13 1.39526303e-02] [-4.38789173e-02 -1.01131234e-02 9.22677470e-14] [ 4.38789173e-02 1.01131234e-02 2.30459962e-12] [-5.08420119e-03 -8.54825491e-03 -1.61037265e-12] [ 5.08420119e-03 8.54825490e-03 -3.47923360e-12] [-2.90735144e-12 -5.86701593e-14 -1.39526303e-02] [-3.34998652e-12 -1.25303185e-13 1.39526303e-02] [ 2.41995775e-02 -6.65539434e-03 1.62057338e-02] [-2.41995775e-02 6.65539435e-03 1.62057338e-02] [-1.42556238e-02 -3.06037927e-02 5.77730574e-02] [ 1.42556238e-02 3.06037927e-02 5.77730574e-02] [ 2.41995775e-02 -6.65539434e-03 -1.62057338e-02] [-2.41995775e-02 6.65539434e-03 -1.62057338e-02] [ 1.42556238e-02 3.06037927e-02 -5.77730574e-02] [-1.42556238e-02 -3.06037927e-02 -5.77730574e-02] [ 2.41995775e-02 -6.65539433e-03 1.62057338e-02] [-2.41995775e-02 6.65539434e-03 1.62057338e-02] [-1.42556238e-02 -3.06037927e-02 5.77730574e-02] [ 1.42556238e-02 3.06037927e-02 5.77730574e-02] [ 2.41995775e-02 -6.65539433e-03 -1.62057338e-02] [-2.41995775e-02 6.65539434e-03 -1.62057338e-02] [ 1.42556238e-02 3.06037927e-02 -5.77730574e-02] [-1.42556238e-02 -3.06037927e-02 -5.77730574e-02] [-7.27640170e-12 -2.21687668e-11 8.40891246e-12] [-1.52970939e-11 1.78237854e-11 6.57027739e-13] [ 6.90864648e-03 1.44734407e-03 -2.13794444e-03] [-6.90864648e-03 -1.44734407e-03 -2.13794443e-03] [ 6.90864648e-03 1.44734402e-03 2.13794441e-03] [-6.90864649e-03 -1.44734404e-03 2.13794441e-03] [ 3.55201864e-03 1.92293153e-02 2.47582359e-02] [ 3.55201865e-03 1.92293153e-02 -2.47582359e-02] [-3.55201863e-03 -1.92293153e-02 2.47582359e-02] [-3.55201864e-03 -1.92293153e-02 -2.47582359e-02] [ 6.35309556e-02 9.19256975e-02 2.44249065e-15] [ 6.92768365e-02 -4.42215176e-02 5.74346126e-13] [-6.92768365e-02 4.42215177e-02 -5.20028465e-12] [-6.35309557e-02 -9.19256974e-02 -5.70622022e-12] [ 6.90864647e-03 1.44734401e-03 -2.13794437e-03] [-6.90864647e-03 -1.44734405e-03 -2.13794441e-03] [ 6.90864648e-03 1.44734400e-03 2.13794437e-03] [-6.90864647e-03 -1.44734402e-03 2.13794440e-03] [ 3.55201866e-03 1.92293153e-02 2.47582359e-02] [ 3.55201869e-03 1.92293153e-02 -2.47582358e-02] [-3.55201865e-03 -1.92293153e-02 2.47582359e-02] [-3.55201868e-03 -1.92293153e-02 -2.47582358e-02] [ 6.35309556e-02 9.19256975e-02 -1.17604153e-13] [ 6.92768366e-02 -4.42215176e-02 -2.03035170e-12] [-6.92768366e-02 4.42215176e-02 1.18612412e-11] [-6.35309556e-02 -9.19256975e-02 4.16832150e-12]] Final stress: [ 8.12282081e-04 -7.17015644e-04 -6.73867954e-04 -5.08780634e-16 2.66361626e-15 7.58797512e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.36264746e-02 1.00407690e-02 -1.22017609e-12] [ 4.36264746e-02 -1.00407690e-02 3.87664900e-12] [ 5.15156040e-03 -8.75328464e-03 -1.01064469e-12] [-5.15156040e-03 8.75328465e-03 -1.06142872e-12] [ 1.76685706e-12 -1.20257406e-12 -1.40128771e-02] [-9.21762666e-13 1.93817185e-12 1.40128771e-02] [-4.36264746e-02 1.00407690e-02 3.26486794e-12] [ 4.36264746e-02 -1.00407690e-02 1.49012905e-12] [ 5.15156040e-03 -8.75328465e-03 -8.85361179e-13] [-5.15156040e-03 8.75328465e-03 5.08440081e-12] [-4.08276798e-12 3.84856966e-13 -1.40128771e-02] [-5.62578196e-13 -2.34125757e-13 1.40128771e-02] [ 1.41548902e-02 -3.01154270e-02 -5.70860890e-02] [-1.41548902e-02 3.01154270e-02 -5.70860890e-02] [-2.40050218e-02 -6.62739721e-03 -1.61346551e-02] [ 2.40050218e-02 6.62739721e-03 -1.61346551e-02] [ 1.41548902e-02 -3.01154270e-02 5.70860890e-02] [-1.41548902e-02 3.01154270e-02 5.70860890e-02] [ 2.40050218e-02 6.62739720e-03 1.61346551e-02] [-2.40050218e-02 -6.62739721e-03 1.61346551e-02] [ 1.41548902e-02 -3.01154270e-02 -5.70860890e-02] [-1.41548902e-02 3.01154270e-02 -5.70860890e-02] [-2.40050218e-02 -6.62739720e-03 -1.61346551e-02] [ 2.40050218e-02 6.62739720e-03 -1.61346551e-02] [ 1.41548902e-02 -3.01154270e-02 5.70860890e-02] [-1.41548902e-02 3.01154270e-02 5.70860890e-02] [ 2.40050218e-02 6.62739720e-03 1.61346551e-02] [-2.40050218e-02 -6.62739721e-03 1.61346551e-02] [ 6.28291863e-12 1.55817026e-12 1.36183009e-11] [-1.06825018e-11 5.40473376e-12 -1.16948639e-14] [-6.82511051e-03 1.00281611e-03 -2.49013166e-03] [ 6.82511051e-03 -1.00281610e-03 -2.49013166e-03] [-6.82511050e-03 1.00281610e-03 2.49013166e-03] [ 6.82511052e-03 -1.00281610e-03 2.49013166e-03] [ 3.37293292e-03 -1.88913389e-02 2.44130341e-02] [ 3.37293292e-03 -1.88913390e-02 -2.44130341e-02] [-3.37293291e-03 1.88913389e-02 2.44130341e-02] [-3.37293291e-03 1.88913389e-02 -2.44130341e-02] [-6.81621438e-02 -4.34435430e-02 8.03601630e-12] [-6.24666535e-02 9.05615041e-02 -6.14047875e-12] [ 6.24666535e-02 -9.05615041e-02 1.26218411e-11] [ 6.81621438e-02 4.34435430e-02 7.60790370e-13] [-6.82511052e-03 1.00281609e-03 -2.49013165e-03] [ 6.82511051e-03 -1.00281608e-03 -2.49013163e-03] [-6.82511052e-03 1.00281609e-03 2.49013165e-03] [ 6.82511050e-03 -1.00281609e-03 2.49013164e-03] [ 3.37293292e-03 -1.88913390e-02 2.44130341e-02] [ 3.37293293e-03 -1.88913390e-02 -2.44130341e-02] [-3.37293293e-03 1.88913389e-02 2.44130341e-02] [-3.37293291e-03 1.88913389e-02 -2.44130341e-02] [-6.81621438e-02 -4.34435430e-02 5.04570532e-12] [-6.24666535e-02 9.05615041e-02 1.04968711e-11] [ 6.24666535e-02 -9.05615041e-02 -1.60633225e-14] [ 6.81621438e-02 4.34435430e-02 2.06837715e-12]] Final stress: [ 8.23071869e-04 -7.06330457e-04 -6.65502879e-04 -8.63264395e-15 -4.42772166e-15 -5.35248910e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.69102902e-02 1.08428847e-12 -5.29233775e-13] [-4.69102902e-02 1.38131173e-12 3.73756581e-13] [-2.51481995e-13 7.97827291e-02 -7.24102202e-13] [-6.37212505e-13 -7.97827291e-02 1.11022302e-16] [ 1.07827506e-12 8.23523541e-13 4.69102902e-02] [-2.17686980e-13 -7.78821452e-14 -4.69102902e-02] [ 4.69102902e-02 -8.51842468e-13 -2.66890934e-13] [-4.69102902e-02 1.19704550e-12 -9.75934211e-13] [ 9.45897440e-13 7.97827291e-02 1.74277437e-12] [ 5.59247093e-13 -7.97827291e-02 -3.36506403e-16] [-1.34771621e-12 -1.19184115e-12 4.69102902e-02] [ 1.10568239e-13 2.51711162e-12 -4.69102902e-02] [ 1.27605347e-02 -1.43505427e-03 1.27605347e-02] [-1.27605347e-02 1.43505427e-03 1.27605347e-02] [-1.27605347e-02 -1.43505427e-03 -1.27605347e-02] [ 1.27605347e-02 1.43505427e-03 -1.27605347e-02] [ 1.27605347e-02 -1.43505427e-03 -1.27605347e-02] [-1.27605347e-02 1.43505427e-03 -1.27605347e-02] [ 1.27605347e-02 1.43505427e-03 1.27605347e-02] [-1.27605347e-02 -1.43505427e-03 1.27605347e-02] [ 1.27605347e-02 -1.43505427e-03 1.27605347e-02] [-1.27605347e-02 1.43505427e-03 1.27605347e-02] [-1.27605347e-02 -1.43505427e-03 -1.27605347e-02] [ 1.27605347e-02 1.43505426e-03 -1.27605347e-02] [ 1.27605347e-02 -1.43505427e-03 -1.27605347e-02] [-1.27605347e-02 1.43505426e-03 -1.27605347e-02] [ 1.27605347e-02 1.43505427e-03 1.27605347e-02] [-1.27605347e-02 -1.43505426e-03 1.27605347e-02] [ 4.91953700e-12 3.10074189e-12 3.42612050e-12] [-4.57425547e-12 -1.04342227e-12 1.18680977e-13] [ 1.69642078e-13 2.76766247e-02 1.00828298e-02] [-1.42722639e-13 -2.76766247e-02 1.00828298e-02] [ 2.38948791e-12 2.76766247e-02 -1.00828298e-02] [ 3.53279211e-12 -2.76766247e-02 -1.00828298e-02] [ 3.37394017e-02 -5.53257440e-12 3.37394017e-02] [ 3.37394017e-02 2.19501674e-12 -3.37394017e-02] [-3.37394017e-02 -5.29615587e-12 3.37394017e-02] [-3.37394017e-02 -6.46678005e-15 -3.37394017e-02] [ 1.00828298e-02 2.76766247e-02 1.02693409e-11] [-1.00828298e-02 2.76766247e-02 6.36678557e-12] [ 1.00828298e-02 -2.76766247e-02 3.86346857e-12] [-1.00828298e-02 -2.76766247e-02 -2.26627050e-12] [ 4.99246911e-12 2.76766247e-02 1.00828298e-02] [-8.26815179e-13 -2.76766247e-02 1.00828298e-02] [-2.70544481e-12 2.76766247e-02 -1.00828298e-02] [-4.57812564e-12 -2.76766247e-02 -1.00828298e-02] [ 3.37394017e-02 1.22458740e-12 3.37394017e-02] [ 3.37394017e-02 9.38434660e-13 -3.37394017e-02] [-3.37394017e-02 6.33368228e-12 3.37394017e-02] [-3.37394017e-02 7.08178264e-12 -3.37394017e-02] [ 1.00828298e-02 2.76766247e-02 -3.00673922e-12] [-1.00828298e-02 2.76766247e-02 2.76896874e-12] [ 1.00828298e-02 -2.76766247e-02 -2.82895402e-12] [-1.00828298e-02 -2.76766246e-02 1.13263262e-12]] Final stress: [ 3.36658269e-04 -1.87575050e-03 3.36658269e-04 -1.73370403e-15 5.85104333e-16 -2.93383280e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.48080742e-03 2.08788369e-12 9.96647036e-12] [-5.48080743e-03 8.29289415e-12 6.33729180e-12] [-6.66767900e-12 -6.34015324e-02 -1.94591207e-12] [-3.54430374e-12 6.34015324e-02 -1.45503054e-12] [ 3.48650449e-12 -8.84187688e-12 5.48080744e-03] [ 6.10098083e-12 -1.13891951e-11 -5.48080742e-03] [ 5.48080739e-03 -1.07686438e-11 3.09397993e-13] [-5.48080742e-03 -1.07578357e-11 -2.95896420e-14] [ 6.08117853e-12 -6.34015324e-02 -2.07323223e-14] [ 5.46553081e-12 6.34015324e-02 -2.86864826e-12] [ 1.67433775e-13 -1.25884930e-12 5.48080741e-03] [-6.86767589e-13 2.45666629e-12 -5.48080743e-03] [-4.84990969e-02 1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 -1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 1.29645894e-02 4.84990969e-02] [-4.84990969e-02 -1.29645894e-02 4.84990969e-02] [-4.84990969e-02 1.29645894e-02 4.84990969e-02] [ 4.84990969e-02 -1.29645894e-02 4.84990969e-02] [-4.84990969e-02 -1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 1.29645894e-02 -4.84990969e-02] [-4.84990969e-02 1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 -1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 1.29645894e-02 4.84990969e-02] [-4.84990969e-02 -1.29645894e-02 4.84990969e-02] [-4.84990969e-02 1.29645894e-02 4.84990969e-02] [ 4.84990969e-02 -1.29645894e-02 4.84990969e-02] [-4.84990969e-02 -1.29645894e-02 -4.84990969e-02] [ 4.84990969e-02 1.29645894e-02 -4.84990969e-02] [ 2.78985168e-12 1.53519419e-11 1.17931498e-11] [ 6.99620223e-12 -1.38211437e-11 8.08443500e-12] [ 1.51458845e-11 -2.29922035e-03 -3.05679594e-03] [ 1.32686015e-11 2.29922035e-03 -3.05679599e-03] [ 1.27825719e-11 -2.29922035e-03 3.05679597e-03] [ 6.86143812e-12 2.29922034e-03 3.05679598e-03] [-3.62659551e-02 -2.21708207e-11 -3.62659551e-02] [-3.62659551e-02 -1.62028221e-11 3.62659551e-02] [ 3.62659551e-02 1.22264178e-12 -3.62659551e-02] [ 3.62659551e-02 -6.98923905e-12 3.62659551e-02] [-3.05679595e-03 -2.29922038e-03 1.28520528e-11] [ 3.05679596e-03 -2.29922038e-03 1.25511112e-11] [-3.05679600e-03 2.29922034e-03 4.51800056e-12] [ 3.05679599e-03 2.29922036e-03 1.37144091e-11] [ 1.09298343e-11 -2.29922036e-03 -3.05679600e-03] [ 7.84593007e-12 2.29922036e-03 -3.05679596e-03] [ 1.27830828e-11 -2.29922035e-03 3.05679597e-03] [ 5.40687113e-12 2.29922035e-03 3.05679595e-03] [-3.62659551e-02 1.29499627e-11 -3.62659551e-02] [-3.62659551e-02 1.55950284e-11 3.62659551e-02] [ 3.62659550e-02 1.82681452e-11 -3.62659551e-02] [ 3.62659551e-02 1.89387980e-11 3.62659551e-02] [-3.05679598e-03 -2.29922035e-03 3.57191000e-13] [ 3.05679596e-03 -2.29922035e-03 -6.44856415e-12] [-3.05679596e-03 2.29922039e-03 2.37194230e-12] [ 3.05679594e-03 2.29922043e-03 5.19263191e-12]] Final stress: [-7.78960651e-04 -7.62895263e-04 -7.78960651e-04 8.85292312e-15 8.77975847e-15 -6.99720144e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.95939315e-05 5.13773052e-14 3.53185363e-14] [ 7.95939314e-05 -2.30371278e-14 -3.60267371e-14] [ 7.38385048e-15 5.96535217e-04 -5.01907543e-14] [ 6.23390228e-14 -5.96535217e-04 -2.62567745e-14] [-4.48825005e-14 2.68903823e-14 5.96535217e-04] [-4.09949852e-14 -1.29618538e-14 -5.96535217e-04] [-7.95939316e-05 -5.13339371e-14 4.27480920e-15] [ 7.95939313e-05 3.41922671e-14 -2.20845936e-14] [-3.43700762e-14 5.96535217e-04 1.86344897e-14] [-2.16840434e-18 -5.96535217e-04 -3.95345231e-14] [-7.28844068e-14 -2.70433082e-14 5.96535217e-04] [-5.99537781e-14 7.04805782e-15 -5.96535217e-04] [ 3.53767460e-04 4.15963874e-05 4.15963874e-05] [-3.53767460e-04 -4.15963874e-05 4.15963874e-05] [-3.53767460e-04 4.15963874e-05 -4.15963873e-05] [ 3.53767460e-04 -4.15963873e-05 -4.15963874e-05] [ 3.53767460e-04 4.15963874e-05 -4.15963874e-05] [-3.53767460e-04 -4.15963873e-05 -4.15963874e-05] [ 3.53767460e-04 -4.15963875e-05 4.15963874e-05] [-3.53767460e-04 4.15963874e-05 4.15963874e-05] [ 3.53767460e-04 4.15963874e-05 4.15963874e-05] [-3.53767460e-04 -4.15963874e-05 4.15963875e-05] [-3.53767460e-04 4.15963872e-05 -4.15963874e-05] [ 3.53767460e-04 -4.15963874e-05 -4.15963874e-05] [ 3.53767460e-04 4.15963874e-05 -4.15963874e-05] [-3.53767460e-04 -4.15963874e-05 -4.15963874e-05] [ 3.53767460e-04 -4.15963873e-05 4.15963875e-05] [-3.53767460e-04 4.15963872e-05 4.15963874e-05] [ 9.75886039e-14 1.07580611e-13 3.63598041e-15] [ 7.80590870e-14 -1.00317577e-14 -6.23386207e-14] [ 1.75415238e-13 -8.47422172e-05 -8.47422174e-05] [ 1.00655595e-13 8.47422170e-05 -8.47422178e-05] [ 2.68871730e-13 -8.47422175e-05 8.47422171e-05] [ 7.59184382e-14 8.47422171e-05 8.47422176e-05] [ 2.74583410e-04 -1.85518267e-13 5.80763508e-05] [ 2.74583410e-04 -1.07063663e-13 -5.80763509e-05] [-2.74583411e-04 -1.42389572e-13 5.80763503e-05] [-2.74583410e-04 4.43273890e-14 -5.80763506e-05] [ 2.74583410e-04 5.80763510e-05 -6.51700915e-14] [-2.74583410e-04 5.80763512e-05 -1.53748542e-13] [ 2.74583411e-04 -5.80763506e-05 -1.98728187e-13] [-2.74583410e-04 -5.80763509e-05 -3.67188918e-14] [-9.57129341e-14 -8.47422174e-05 -8.47422173e-05] [ 1.37974701e-13 8.47422172e-05 -8.47422177e-05] [ 1.98705635e-13 -8.47422172e-05 8.47422175e-05] [ 1.45700726e-13 8.47422169e-05 8.47422177e-05] [ 2.74583410e-04 7.94152594e-14 5.80763511e-05] [ 2.74583410e-04 -7.43524166e-15 -5.80763509e-05] [-2.74583410e-04 -7.22915651e-14 5.80763507e-05] [-2.74583411e-04 -8.65917581e-14 -5.80763505e-05] [ 2.74583410e-04 5.80763510e-05 4.18742611e-14] [-2.74583410e-04 5.80763512e-05 -1.88279703e-14] [ 2.74583411e-04 -5.80763506e-05 1.77738260e-13] [-2.74583410e-04 -5.80763508e-05 1.15301865e-13]] Final stress: [ 7.43740627e-05 2.88829651e-05 2.88829651e-05 3.32445641e-17 8.14491820e-17 -1.01395920e-16] Minimization converged after 38 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.93271043e-04 1.67798501e-13 2.16401116e-13] [ 8.93271043e-04 7.72437669e-14 4.51860771e-14] [ 9.80344278e-14 -2.93216565e-03 9.02641677e-14] [ 1.90208960e-13 2.93216565e-03 -7.89091015e-14] [-5.97299987e-14 9.71809438e-14 -2.93216565e-03] [-5.35960165e-14 1.87350135e-14 2.93216565e-03] [-8.93271044e-04 1.31854163e-13 8.88458820e-14] [ 8.93271044e-04 1.85379923e-13 -8.29102437e-14] [ 4.37774816e-14 -2.93216565e-03 1.17917381e-13] [ 2.63148878e-14 2.93216565e-03 2.36005432e-14] [ 3.35625625e-15 -1.14944422e-13 -2.93216565e-03] [-1.59824411e-14 3.49072333e-14 2.93216565e-03] [-1.00345813e-03 -4.86283181e-06 -4.86283165e-06] [ 1.00345813e-03 4.86283206e-06 -4.86283232e-06] [ 1.00345813e-03 -4.86283200e-06 4.86283227e-06] [-1.00345813e-03 4.86283220e-06 4.86283217e-06] [-1.00345813e-03 -4.86283207e-06 4.86283198e-06] [ 1.00345813e-03 4.86283244e-06 4.86283260e-06] [-1.00345813e-03 4.86283199e-06 -4.86283204e-06] [ 1.00345813e-03 -4.86283178e-06 -4.86283208e-06] [-1.00345813e-03 -4.86283265e-06 -4.86283265e-06] [ 1.00345813e-03 4.86283230e-06 -4.86283239e-06] [ 1.00345813e-03 -4.86283240e-06 4.86283192e-06] [-1.00345813e-03 4.86283167e-06 4.86283179e-06] [-1.00345813e-03 -4.86283197e-06 4.86283186e-06] [ 1.00345813e-03 4.86283160e-06 4.86283187e-06] [-1.00345813e-03 4.86283207e-06 -4.86283238e-06] [ 1.00345813e-03 -4.86283281e-06 -4.86283244e-06] [ 1.75359727e-13 9.27341537e-13 1.23573374e-12] [-4.63097009e-13 -6.79298618e-13 -2.03392464e-13] [ 2.24265051e-14 7.63614953e-04 7.63614948e-04] [ 1.58373314e-13 -7.63614953e-04 7.63614948e-04] [ 5.03236341e-13 7.63614950e-04 -7.63614951e-04] [ 2.13457724e-13 -7.63614950e-04 -7.63614950e-04] [-2.03243635e-05 -2.13384865e-13 1.60890124e-04] [-2.03243638e-05 1.03811057e-13 -1.60890124e-04] [ 2.03243633e-05 3.21097315e-15 1.60890123e-04] [ 2.03243646e-05 2.09565004e-13 -1.60890124e-04] [-2.03243630e-05 1.60890123e-04 -5.13478149e-13] [ 2.03243622e-05 1.60890122e-04 -3.94089275e-13] [-2.03243632e-05 -1.60890123e-04 -6.44304055e-13] [ 2.03243634e-05 -1.60890123e-04 -9.56627139e-13] [-9.02737086e-14 7.63614950e-04 7.63614951e-04] [ 1.04839314e-13 -7.63614950e-04 7.63614951e-04] [ 3.00602425e-13 7.63614951e-04 -7.63614950e-04] [ 8.24703587e-13 -7.63614950e-04 -7.63614950e-04] [-2.03243640e-05 3.75806581e-13 1.60890124e-04] [-2.03243612e-05 -2.05081178e-14 -1.60890121e-04] [ 2.03243637e-05 -1.32830379e-13 1.60890123e-04] [ 2.03243616e-05 -1.49801178e-13 -1.60890121e-04] [-2.03243645e-05 1.60890124e-04 7.91010938e-13] [ 2.03243652e-05 1.60890124e-04 3.67836580e-13] [-2.03243644e-05 -1.60890124e-04 1.10251465e-12] [ 2.03243648e-05 -1.60890124e-04 9.20517135e-13]] Final stress: [-1.16963363e-04 -1.31106703e-05 -1.31106703e-05 2.66053285e-16 3.24252441e-16 -1.56306305e-16] Minimization converged after 51 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.43034167e-02 9.02363687e-13 -2.84039068e-12] [ 1.43034167e-02 3.74089648e-13 5.10036458e-13] [ 3.50784939e-13 -4.33776107e-02 -9.69033854e-03] [ 1.67366121e-14 4.33776107e-02 9.69033854e-03] [-6.83486687e-13 -4.96518755e-03 -9.20775666e-03] [-6.99995617e-14 4.96518755e-03 9.20775666e-03] [-1.43034167e-02 -3.79604247e-12 -3.59025587e-12] [ 1.43034167e-02 -1.32485169e-13 -5.03287244e-12] [ 8.99700019e-13 -4.33776107e-02 -9.69033854e-03] [-2.22039054e-12 4.33776107e-02 9.69033854e-03] [-1.03328240e-12 -4.96518755e-03 -9.20775666e-03] [ 5.12818954e-14 4.96518755e-03 9.20775666e-03] [ 1.62630224e-02 2.38063339e-02 -6.58986046e-03] [ 5.64413427e-02 -1.40664134e-02 -2.94835972e-02] [ 5.64413427e-02 1.40664134e-02 2.94835972e-02] [ 1.62630224e-02 -2.38063339e-02 6.58986046e-03] [-5.64413427e-02 1.40664134e-02 2.94835972e-02] [-1.62630224e-02 -2.38063339e-02 6.58986047e-03] [-5.64413427e-02 -1.40664134e-02 -2.94835972e-02] [-1.62630224e-02 2.38063339e-02 -6.58986047e-03] [ 1.62630224e-02 2.38063339e-02 -6.58986047e-03] [ 5.64413427e-02 -1.40664134e-02 -2.94835972e-02] [ 5.64413427e-02 1.40664134e-02 2.94835972e-02] [ 1.62630224e-02 -2.38063339e-02 6.58986047e-03] [-5.64413427e-02 1.40664134e-02 2.94835972e-02] [-1.62630224e-02 -2.38063339e-02 6.58986046e-03] [-5.64413427e-02 -1.40664134e-02 -2.94835972e-02] [-1.62630224e-02 2.38063339e-02 -6.58986047e-03] [ 1.41217593e-11 1.94344540e-13 8.54377680e-12] [-8.49738595e-12 9.51179297e-13 -7.12456233e-12] [ 4.16200407e-12 6.17163436e-02 8.86374397e-02] [ 1.42181059e-12 6.64493046e-02 -4.29612926e-02] [ 9.85040001e-12 -6.64493046e-02 4.29612925e-02] [-1.00862027e-12 -6.17163435e-02 -8.86374397e-02] [-2.86978083e-03 6.57688137e-03 5.14043830e-04] [-2.86978080e-03 -6.57688138e-03 -5.14043814e-04] [ 2.86978084e-03 6.57688137e-03 5.14043845e-04] [ 2.86978082e-03 -6.57688138e-03 -5.14043826e-04] [ 2.36462186e-02 3.62627976e-03 1.83324108e-02] [-2.36462186e-02 3.62627974e-03 1.83324108e-02] [ 2.36462186e-02 -3.62627976e-03 -1.83324108e-02] [-2.36462186e-02 -3.62627976e-03 -1.83324108e-02] [ 3.55040910e-12 6.17163435e-02 8.86374397e-02] [ 9.93797969e-12 6.64493046e-02 -4.29612925e-02] [-3.51389924e-14 -6.64493046e-02 4.29612925e-02] [ 6.76055132e-12 -6.17163435e-02 -8.86374397e-02] [-2.86978083e-03 6.57688138e-03 5.14043830e-04] [-2.86978079e-03 -6.57688137e-03 -5.14043795e-04] [ 2.86978083e-03 6.57688138e-03 5.14043832e-04] [ 2.86978080e-03 -6.57688137e-03 -5.14043814e-04] [ 2.36462186e-02 3.62627978e-03 1.83324108e-02] [-2.36462186e-02 3.62627977e-03 1.83324108e-02] [ 2.36462186e-02 -3.62627978e-03 -1.83324108e-02] [-2.36462186e-02 -3.62627976e-03 -1.83324108e-02]] Final stress: [-6.55523966e-04 8.33483626e-04 -6.93789110e-04 5.20552972e-06 -1.00924786e-14 -1.04250149e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.43474372e-02 -8.28660491e-13 -2.91419926e-12] [ 1.43474372e-02 -2.48412402e-13 -4.57536786e-12] [-4.77608209e-12 -4.36787648e-02 9.65950500e-03] [ 1.32627243e-12 4.36787648e-02 -9.65950500e-03] [-3.53659203e-12 4.78955093e-03 -9.09857239e-03] [-1.64840364e-13 -4.78955093e-03 9.09857238e-03] [-1.43474372e-02 -4.11131155e-12 -3.43715840e-13] [ 1.43474372e-02 -4.08734895e-12 -1.60006947e-13] [-1.67738826e-12 -4.36787648e-02 9.65950500e-03] [ 1.49730488e-12 4.36787648e-02 -9.65950500e-03] [-3.70964110e-13 4.78955092e-03 -9.09857238e-03] [-6.73937685e-12 -4.78955092e-03 9.09857239e-03] [-5.72468071e-02 1.42008986e-02 -2.99737570e-02] [-1.64367811e-02 -2.40381528e-02 -6.61845151e-03] [-1.64367811e-02 2.40381528e-02 6.61845150e-03] [-5.72468072e-02 -1.42008986e-02 2.99737570e-02] [ 1.64367811e-02 2.40381528e-02 6.61845150e-03] [ 5.72468071e-02 -1.42008986e-02 2.99737570e-02] [ 1.64367811e-02 -2.40381528e-02 -6.61845151e-03] [ 5.72468071e-02 1.42008986e-02 -2.99737570e-02] [-5.72468072e-02 1.42008986e-02 -2.99737570e-02] [-1.64367811e-02 -2.40381528e-02 -6.61845150e-03] [-1.64367811e-02 2.40381528e-02 6.61845150e-03] [-5.72468071e-02 -1.42008986e-02 2.99737570e-02] [ 1.64367811e-02 2.40381528e-02 6.61845151e-03] [ 5.72468071e-02 -1.42008986e-02 2.99737570e-02] [ 1.64367811e-02 -2.40381528e-02 -6.61845151e-03] [ 5.72468071e-02 1.42008986e-02 -2.99737570e-02] [ 1.99524841e-11 -2.94153590e-12 9.00313157e-12] [-3.19644051e-13 -1.40278690e-11 -1.17130898e-11] [ 1.16059384e-11 -6.74320404e-02 -4.39799518e-02] [ 1.00517095e-11 -6.30780849e-02 8.99354486e-02] [ 9.57811955e-12 6.30780849e-02 -8.99354487e-02] [ 4.38999235e-12 6.74320404e-02 4.39799518e-02] [-2.49910985e-03 -6.59198501e-03 9.81028987e-04] [-2.49910982e-03 6.59198500e-03 -9.81028964e-04] [ 2.49910985e-03 -6.59198501e-03 9.81028994e-04] [ 2.49910982e-03 6.59198500e-03 -9.81028963e-04] [ 2.38472230e-02 4.03632824e-03 -1.86143660e-02] [-2.38472230e-02 4.03632825e-03 -1.86143660e-02] [ 2.38472230e-02 -4.03632825e-03 1.86143660e-02] [-2.38472230e-02 -4.03632826e-03 1.86143660e-02] [ 2.75630040e-12 -6.74320404e-02 -4.39799518e-02] [ 1.82889294e-13 -6.30780849e-02 8.99354486e-02] [ 7.73879875e-12 6.30780849e-02 -8.99354486e-02] [ 1.58483860e-12 6.74320404e-02 4.39799518e-02] [-2.49910982e-03 -6.59198498e-03 9.81028976e-04] [-2.49910981e-03 6.59198499e-03 -9.81028970e-04] [ 2.49910981e-03 -6.59198499e-03 9.81028958e-04] [ 2.49910979e-03 6.59198499e-03 -9.81028940e-04] [ 2.38472229e-02 4.03632827e-03 -1.86143660e-02] [-2.38472229e-02 4.03632827e-03 -1.86143660e-02] [ 2.38472229e-02 -4.03632828e-03 1.86143660e-02] [-2.38472230e-02 -4.03632826e-03 1.86143660e-02]] Final stress: [-6.64379696e-04 8.21842007e-04 -7.05088556e-04 -8.48080722e-06 -4.24815202e-15 -8.00581291e-15] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.68796514e-03 -1.34974887e-12 1.91038598e-02] [-1.68796514e-03 6.20947738e-13 -1.91038598e-02] [ 1.40306007e-12 -5.75790092e-02 -3.69697046e-12] [-2.77555756e-17 5.75790092e-02 -1.98438488e-12] [ 1.91038598e-02 -5.59824322e-13 1.68796514e-03] [-1.91038598e-02 5.18446397e-13 -1.68796514e-03] [ 1.68796514e-03 -2.47674450e-12 1.91038598e-02] [-1.68796514e-03 3.72401584e-12 -1.91038598e-02] [-3.55531837e-12 -5.75790092e-02 -2.53545554e-12] [-2.42078840e-12 5.75790092e-02 2.60558900e-12] [ 1.91038598e-02 5.84384146e-12 1.68796512e-03] [-1.91038598e-02 -3.78290563e-12 -1.68796515e-03] [-1.95589229e-02 6.75678457e-02 -1.95589229e-02] [ 3.19632622e-02 2.78896986e-02 -3.19632622e-02] [ 1.95589229e-02 6.75678457e-02 1.95589229e-02] [-3.19632622e-02 2.78896986e-02 3.19632622e-02] [-3.19632622e-02 -2.78896986e-02 3.19632622e-02] [ 1.95589229e-02 -6.75678457e-02 1.95589229e-02] [-1.95589229e-02 -6.75678457e-02 -1.95589229e-02] [ 3.19632622e-02 -2.78896986e-02 -3.19632622e-02] [-1.95589229e-02 6.75678457e-02 -1.95589229e-02] [ 3.19632622e-02 2.78896986e-02 -3.19632622e-02] [ 1.95589229e-02 6.75678457e-02 1.95589229e-02] [-3.19632622e-02 2.78896986e-02 3.19632622e-02] [-3.19632622e-02 -2.78896986e-02 3.19632622e-02] [ 1.95589229e-02 -6.75678457e-02 1.95589229e-02] [-1.95589229e-02 -6.75678457e-02 -1.95589229e-02] [ 3.19632622e-02 -2.78896986e-02 -3.19632622e-02] [ 2.07675543e-12 -3.31995542e-12 5.92001448e-12] [-6.50582062e-12 -1.85235777e-11 1.63454866e-11] [ 2.37378006e-02 1.37550398e-03 3.94534699e-02] [ 2.37378006e-02 -1.37550399e-03 3.94534699e-02] [-2.37378006e-02 1.37550398e-03 -3.94534699e-02] [-2.37378006e-02 -1.37550398e-03 -3.94534699e-02] [ 1.19358292e-01 -8.41993142e-13 1.19358292e-01] [-7.71907624e-02 -1.66459659e-11 7.71907623e-02] [ 7.71907624e-02 -1.26871430e-12 -7.71907623e-02] [-1.19358292e-01 -7.64416655e-12 -1.19358292e-01] [ 3.94534699e-02 1.37550399e-03 2.37378006e-02] [-3.94534699e-02 1.37550399e-03 -2.37378006e-02] [ 3.94534698e-02 -1.37550401e-03 2.37378006e-02] [-3.94534698e-02 -1.37550400e-03 -2.37378006e-02] [ 2.37378006e-02 1.37550399e-03 3.94534699e-02] [ 2.37378006e-02 -1.37550397e-03 3.94534699e-02] [-2.37378006e-02 1.37550399e-03 -3.94534699e-02] [-2.37378006e-02 -1.37550399e-03 -3.94534699e-02] [ 1.19358292e-01 1.59452210e-12 1.19358292e-01] [-7.71907624e-02 1.27705799e-12 7.71907623e-02] [ 7.71907623e-02 3.66837116e-12 -7.71907623e-02] [-1.19358292e-01 6.04494232e-12 -1.19358292e-01] [ 3.94534698e-02 1.37550400e-03 2.37378006e-02] [-3.94534699e-02 1.37550399e-03 -2.37378006e-02] [ 3.94534699e-02 -1.37550399e-03 2.37378006e-02] [-3.94534699e-02 -1.37550399e-03 -2.37378006e-02]] Final stress: [-3.96012993e-04 5.61722226e-04 -3.96012993e-04 2.95292289e-15 -6.87996564e-05 -6.94003387e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.68691543e-03 -2.59812311e-12 -1.91018879e-02] [-1.68691543e-03 4.02380906e-12 1.91018879e-02] [-8.23743200e-13 -5.75771989e-02 1.67789686e-12] [-1.74585346e-12 5.75771989e-02 -5.39132627e-12] [-1.91018879e-02 -3.74409531e-12 1.68691543e-03] [ 1.91018879e-02 4.08836853e-12 -1.68691544e-03] [ 1.68691543e-03 -1.97606688e-13 -1.91018879e-02] [-1.68691543e-03 -3.33556622e-12 1.91018879e-02] [-4.01417137e-12 -5.75771989e-02 4.11689687e-13] [-1.15637621e-12 5.75771989e-02 6.72639237e-13] [-1.91018879e-02 7.49003139e-13 1.68691543e-03] [ 1.91018879e-02 -5.83016927e-12 -1.68691543e-03] [-3.19619811e-02 -2.78877992e-02 -3.19619811e-02] [ 1.95580243e-02 -6.75660394e-02 -1.95580243e-02] [ 3.19619811e-02 -2.78877992e-02 3.19619811e-02] [-1.95580243e-02 -6.75660395e-02 1.95580243e-02] [-1.95580243e-02 6.75660395e-02 1.95580243e-02] [ 3.19619811e-02 2.78877992e-02 3.19619811e-02] [-3.19619811e-02 2.78877992e-02 -3.19619811e-02] [ 1.95580243e-02 6.75660395e-02 -1.95580243e-02] [-3.19619811e-02 -2.78877992e-02 -3.19619811e-02] [ 1.95580243e-02 -6.75660394e-02 -1.95580243e-02] [ 3.19619811e-02 -2.78877992e-02 3.19619811e-02] [-1.95580243e-02 -6.75660394e-02 1.95580243e-02] [-1.95580243e-02 6.75660395e-02 1.95580243e-02] [ 3.19619811e-02 2.78877992e-02 3.19619811e-02] [-3.19619811e-02 2.78877992e-02 -3.19619811e-02] [ 1.95580243e-02 6.75660395e-02 -1.95580243e-02] [-1.02076680e-12 -9.99336724e-12 8.45193360e-12] [-2.52503357e-12 3.31554389e-12 -4.49458910e-12] [-2.37373218e-02 1.37591099e-03 3.94510608e-02] [-2.37373217e-02 -1.37591097e-03 3.94510608e-02] [ 2.37373218e-02 1.37591100e-03 -3.94510608e-02] [ 2.37373218e-02 -1.37591095e-03 -3.94510608e-02] [-7.71891240e-02 8.60878036e-12 -7.71891240e-02] [ 1.19350175e-01 1.38609783e-11 -1.19350175e-01] [-1.19350175e-01 1.68824069e-11 1.19350175e-01] [ 7.71891240e-02 -1.79885620e-12 7.71891240e-02] [ 3.94510608e-02 1.37591098e-03 -2.37373218e-02] [-3.94510608e-02 1.37591099e-03 2.37373217e-02] [ 3.94510608e-02 -1.37591098e-03 -2.37373217e-02] [-3.94510608e-02 -1.37591096e-03 2.37373218e-02] [-2.37373217e-02 1.37591098e-03 3.94510608e-02] [-2.37373218e-02 -1.37591100e-03 3.94510608e-02] [ 2.37373218e-02 1.37591097e-03 -3.94510608e-02] [ 2.37373217e-02 -1.37591098e-03 -3.94510608e-02] [-7.71891240e-02 -2.64301385e-11 -7.71891240e-02] [ 1.19350175e-01 -6.86200033e-12 -1.19350175e-01] [-1.19350175e-01 -1.24882743e-11 1.19350175e-01] [ 7.71891240e-02 -3.95717703e-12 7.71891240e-02] [ 3.94510608e-02 1.37591097e-03 -2.37373217e-02] [-3.94510608e-02 1.37591095e-03 2.37373218e-02] [ 3.94510608e-02 -1.37591100e-03 -2.37373218e-02] [-3.94510608e-02 -1.37591099e-03 2.37373217e-02]] Final stress: [-3.96014720e-04 5.61793848e-04 -3.96014720e-04 5.95905160e-15 6.88090264e-05 -5.85762801e-15] Minimization converged after 51 steps. Minimization converged after 48 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-8.81886351e-03 -5.17145151e-03 -7.75503793e-14] [ 8.81886350e-03 5.17145151e-03 2.02790562e-12] [-1.00155117e-02 -4.35430656e-02 -1.31347537e-12] [ 1.00155117e-02 4.35430657e-02 1.01696429e-12] [-2.37352108e-12 -2.83474026e-12 -1.40317529e-02] [-1.63474789e-12 -2.41531795e-12 1.40317529e-02] [-8.81886351e-03 -5.17145151e-03 2.55594111e-12] [ 8.81886351e-03 5.17145151e-03 -2.54600606e-12] [-1.00155117e-02 -4.35430656e-02 7.15897486e-13] [ 1.00155117e-02 4.35430656e-02 -2.53252562e-12] [ 3.89512641e-13 -2.37440279e-13 -1.40317529e-02] [-4.85729078e-13 -1.73643695e-12 1.40317529e-02] [-6.61812939e-03 2.39404612e-02 1.61114330e-02] [ 6.61812939e-03 -2.39404612e-02 1.61114330e-02] [ 2.99566742e-02 1.41204911e-02 5.68623412e-02] [-2.99566741e-02 -1.41204911e-02 5.68623412e-02] [-6.61812939e-03 2.39404612e-02 -1.61114330e-02] [ 6.61812940e-03 -2.39404612e-02 -1.61114330e-02] [-2.99566741e-02 -1.41204911e-02 -5.68623412e-02] [ 2.99566742e-02 1.41204911e-02 -5.68623412e-02] [-6.61812941e-03 2.39404612e-02 1.61114330e-02] [ 6.61812939e-03 -2.39404612e-02 1.61114330e-02] [ 2.99566741e-02 1.41204911e-02 5.68623412e-02] [-2.99566742e-02 -1.41204911e-02 5.68623412e-02] [-6.61812939e-03 2.39404612e-02 -1.61114330e-02] [ 6.61812939e-03 -2.39404612e-02 -1.61114330e-02] [-2.99566742e-02 -1.41204911e-02 -5.68623412e-02] [ 2.99566742e-02 1.41204911e-02 -5.68623412e-02] [ 1.51259838e-11 -1.58592861e-11 1.93674521e-11] [-2.09116509e-11 -1.73584781e-13 -1.40905727e-11] [ 1.87814717e-02 3.31402632e-03 2.43004463e-02] [-1.87814717e-02 -3.31402631e-03 2.43004463e-02] [ 1.87814717e-02 3.31402631e-03 -2.43004463e-02] [-1.87814717e-02 -3.31402630e-03 -2.43004463e-02] [ 8.60512676e-04 6.79829044e-03 -2.60255656e-03] [ 8.60512637e-04 6.79829044e-03 2.60255654e-03] [-8.60512666e-04 -6.79829044e-03 -2.60255657e-03] [-8.60512627e-04 -6.79829043e-03 2.60255654e-03] [ 9.01177459e-02 6.21202470e-02 6.99440506e-13] [ 4.31913999e-02 -6.78011481e-02 9.31300176e-13] [-4.31913999e-02 6.78011480e-02 -3.99224750e-12] [-9.01177459e-02 -6.21202470e-02 -7.39564313e-12] [ 1.87814717e-02 3.31402630e-03 2.43004463e-02] [-1.87814717e-02 -3.31402630e-03 2.43004463e-02] [ 1.87814717e-02 3.31402633e-03 -2.43004463e-02] [-1.87814717e-02 -3.31402631e-03 -2.43004463e-02] [ 8.60512661e-04 6.79829044e-03 -2.60255656e-03] [ 8.60512666e-04 6.79829044e-03 2.60255657e-03] [-8.60512651e-04 -6.79829044e-03 -2.60255654e-03] [-8.60512653e-04 -6.79829045e-03 2.60255654e-03] [ 9.01177459e-02 6.21202470e-02 1.40048407e-11] [ 4.31913999e-02 -6.78011480e-02 1.30754837e-11] [-4.31913999e-02 6.78011480e-02 1.59228057e-11] [-9.01177459e-02 -6.21202470e-02 1.73582359e-11]] Final stress: [-7.02857749e-04 8.26485504e-04 -6.62773357e-04 -1.71256226e-15 9.74996613e-15 4.65131400e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-9.05252742e-03 4.82948595e-03 5.50494546e-13] [ 9.05252741e-03 -4.82948594e-03 1.36274325e-12] [ 9.70578570e-03 -4.36802392e-02 2.54411585e-12] [-9.70578569e-03 4.36802392e-02 1.10966791e-12] [ 2.94911057e-12 3.15564198e-12 -1.43069031e-02] [-9.13547016e-13 4.47913928e-12 1.43069031e-02] [-9.05252741e-03 4.82948595e-03 -4.83858407e-13] [ 9.05252742e-03 -4.82948595e-03 -5.95920822e-12] [ 9.70578569e-03 -4.36802392e-02 -8.38419198e-13] [-9.70578569e-03 4.36802392e-02 -3.78499444e-12] [-6.16102915e-12 1.53788494e-13 -1.43069031e-02] [ 1.00291563e-12 8.57944504e-13 1.43069031e-02] [-3.00046357e-02 1.41987655e-02 -5.72486886e-02] [ 3.00046357e-02 -1.41987654e-02 -5.72486886e-02] [ 6.62040364e-03 2.40401859e-02 -1.64039181e-02] [-6.62040364e-03 -2.40401859e-02 -1.64039181e-02] [-3.00046357e-02 1.41987654e-02 5.72486886e-02] [ 3.00046357e-02 -1.41987654e-02 5.72486886e-02] [-6.62040364e-03 -2.40401859e-02 1.64039181e-02] [ 6.62040363e-03 2.40401859e-02 1.64039181e-02] [-3.00046357e-02 1.41987654e-02 -5.72486886e-02] [ 3.00046357e-02 -1.41987654e-02 -5.72486886e-02] [ 6.62040363e-03 2.40401859e-02 -1.64039181e-02] [-6.62040363e-03 -2.40401859e-02 -1.64039181e-02] [-3.00046357e-02 1.41987654e-02 5.72486886e-02] [ 3.00046357e-02 -1.41987655e-02 5.72486886e-02] [-6.62040365e-03 -2.40401859e-02 1.64039181e-02] [ 6.62040364e-03 2.40401859e-02 1.64039181e-02] [ 1.95729266e-11 4.38798997e-12 2.44462783e-11] [-1.95086876e-11 -1.47493120e-11 -1.69552673e-11] [-1.86564764e-02 3.96537924e-03 2.39226042e-02] [ 1.86564763e-02 -3.96537925e-03 2.39226042e-02] [-1.86564764e-02 3.96537924e-03 -2.39226042e-02] [ 1.86564764e-02 -3.96537926e-03 -2.39226041e-02] [ 9.96600907e-04 -6.62140250e-03 -2.48775159e-03] [ 9.96600867e-04 -6.62140250e-03 2.48775157e-03] [-9.96600902e-04 6.62140246e-03 -2.48775159e-03] [-9.96600884e-04 6.62140246e-03 2.48775158e-03] [-4.39413592e-02 -6.75491365e-02 1.07504006e-11] [-9.00480608e-02 6.30394039e-02 -2.22538307e-12] [ 9.00480608e-02 -6.30394039e-02 4.77243418e-12] [ 4.39413592e-02 6.75491365e-02 -8.38486315e-12] [-1.86564763e-02 3.96537925e-03 2.39226042e-02] [ 1.86564764e-02 -3.96537922e-03 2.39226042e-02] [-1.86564764e-02 3.96537926e-03 -2.39226041e-02] [ 1.86564764e-02 -3.96537923e-03 -2.39226042e-02] [ 9.96600906e-04 -6.62140247e-03 -2.48775159e-03] [ 9.96600903e-04 -6.62140248e-03 2.48775159e-03] [-9.96600916e-04 6.62140249e-03 -2.48775160e-03] [-9.96600898e-04 6.62140249e-03 2.48775158e-03] [-4.39413592e-02 -6.75491365e-02 -1.62003003e-12] [-9.00480608e-02 6.30394039e-02 1.11353516e-11] [ 9.00480608e-02 -6.30394039e-02 1.46053726e-12] [ 4.39413592e-02 6.75491365e-02 1.38473699e-11]] Final stress: [-7.05549530e-04 8.21671713e-04 -6.64758394e-04 5.33554593e-15 1.46665162e-14 -8.18378046e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.69102902e-02 4.67060852e-13 -1.49200617e-12] [-4.69102902e-02 -4.38538095e-13 -1.28810851e-12] [-2.99922413e-13 4.69102902e-02 -1.43052627e-12] [-6.58362254e-14 -4.69102902e-02 -1.32879818e-12] [ 3.53475062e-13 -2.21539800e-13 7.97827291e-02] [-7.55145946e-13 -2.30260255e-13 -7.97827291e-02] [ 4.69102902e-02 2.51076070e-13 1.40696730e-12] [-4.69102902e-02 1.07521977e-12 -1.49846445e-12] [ 3.58866582e-14 4.69102902e-02 4.27078664e-13] [-6.99390199e-13 -4.69102902e-02 4.28708190e-13] [-5.65945728e-13 3.86440976e-13 7.97827291e-02] [ 1.73891500e-12 2.68003137e-13 -7.97827291e-02] [ 1.27605347e-02 1.27605347e-02 -1.43505423e-03] [-1.27605347e-02 -1.27605347e-02 -1.43505424e-03] [-1.27605347e-02 1.27605347e-02 1.43505424e-03] [ 1.27605347e-02 -1.27605347e-02 1.43505423e-03] [ 1.27605347e-02 1.27605347e-02 1.43505423e-03] [-1.27605347e-02 -1.27605347e-02 1.43505424e-03] [ 1.27605347e-02 -1.27605347e-02 -1.43505423e-03] [-1.27605347e-02 1.27605347e-02 -1.43505424e-03] [ 1.27605347e-02 1.27605347e-02 -1.43505424e-03] [-1.27605347e-02 -1.27605347e-02 -1.43505424e-03] [-1.27605347e-02 1.27605347e-02 1.43505424e-03] [ 1.27605347e-02 -1.27605347e-02 1.43505424e-03] [ 1.27605347e-02 1.27605347e-02 1.43505424e-03] [-1.27605347e-02 -1.27605347e-02 1.43505424e-03] [ 1.27605347e-02 -1.27605347e-02 -1.43505424e-03] [-1.27605347e-02 1.27605347e-02 -1.43505424e-03] [ 7.81869014e-12 -8.08797473e-14 2.42689202e-12] [-3.82533024e-12 -1.29875903e-12 1.53600166e-12] [-8.08786371e-12 1.00828298e-02 2.76766248e-02] [-8.24829961e-12 -1.00828298e-02 2.76766248e-02] [-2.07306568e-12 1.00828299e-02 -2.76766248e-02] [ 3.56955784e-13 -1.00828299e-02 -2.76766248e-02] [ 1.00828299e-02 -1.08135723e-13 2.76766248e-02] [ 1.00828299e-02 2.15766641e-13 -2.76766248e-02] [-1.00828299e-02 -1.51458707e-12 2.76766248e-02] [-1.00828299e-02 4.41030892e-13 -2.76766248e-02] [ 3.37394017e-02 3.37394017e-02 1.15796261e-11] [-3.37394017e-02 3.37394017e-02 2.97829296e-12] [ 3.37394017e-02 -3.37394017e-02 7.17129654e-12] [-3.37394017e-02 -3.37394017e-02 3.02026626e-12] [ 4.98000209e-12 1.00828299e-02 2.76766247e-02] [ 6.71201809e-12 -1.00828299e-02 2.76766247e-02] [ 6.12228237e-12 1.00828299e-02 -2.76766247e-02] [ 5.49764097e-12 -1.00828299e-02 -2.76766248e-02] [ 1.00828299e-02 -9.22090999e-13 2.76766248e-02] [ 1.00828298e-02 -9.60376093e-13 -2.76766248e-02] [-1.00828298e-02 8.39897162e-13 2.76766248e-02] [-1.00828298e-02 -1.30963686e-12 -2.76766248e-02] [ 3.37394017e-02 3.37394017e-02 -5.40036150e-12] [-3.37394017e-02 3.37394017e-02 -1.83683033e-12] [ 3.37394017e-02 -3.37394017e-02 -2.16985659e-12] [-3.37394017e-02 -3.37394017e-02 -2.23135573e-12]] Final stress: [ 3.36658268e-04 3.36658268e-04 -1.87575050e-03 3.12498905e-16 1.08709725e-15 -1.42951627e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.49176456e-03 -4.78938200e-12 1.77902745e-12] [-5.49176454e-03 -5.96098171e-12 1.28805300e-12] [-1.31541566e-12 5.49176453e-03 6.40338824e-12] [ 1.04646847e-12 -5.49176452e-03 8.96613339e-12] [-1.80641244e-12 5.42965954e-13 -6.33936551e-02] [-2.74597012e-12 2.42622589e-12 6.33936552e-02] [ 5.49176453e-03 -3.37953537e-12 -6.41839170e-13] [-5.49176455e-03 -5.99263428e-12 6.47322979e-12] [-7.15232647e-12 5.49176450e-03 -3.85235908e-12] [-2.78930975e-12 -5.49176454e-03 -3.79963954e-12] [-1.83660812e-12 -5.96377557e-12 -6.33936551e-02] [-6.20313523e-12 -5.59738470e-12 6.33936551e-02] [-4.84997018e-02 -4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 -4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 -4.84997018e-02 -1.29612728e-02] [ 4.84997018e-02 4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 -4.84997018e-02 1.29612728e-02] [-4.84997018e-02 -4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 -4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 -4.84997018e-02 -1.29612728e-02] [ 4.84997018e-02 4.84997018e-02 -1.29612728e-02] [-4.84997018e-02 4.84997018e-02 1.29612728e-02] [ 4.84997018e-02 -4.84997018e-02 1.29612728e-02] [ 2.98788772e-12 1.25918165e-11 -1.19096399e-11] [-5.14858338e-12 -8.70320263e-13 -5.43204031e-12] [ 6.14563955e-12 -3.05528217e-03 -2.30964818e-03] [ 7.47662869e-12 3.05528218e-03 -2.30964818e-03] [ 2.27422248e-14 -3.05528218e-03 2.30964816e-03] [ 5.00049383e-13 3.05528220e-03 2.30964818e-03] [-3.05528219e-03 7.81619214e-12 -2.30964816e-03] [-3.05528219e-03 1.69051335e-11 2.30964818e-03] [ 3.05528221e-03 3.76653049e-12 -2.30964815e-03] [ 3.05528219e-03 7.44957047e-12 2.30964818e-03] [-3.62718442e-02 -3.62718442e-02 5.83755266e-13] [ 3.62718442e-02 -3.62718442e-02 1.96064189e-11] [-3.62718442e-02 3.62718442e-02 -1.78955809e-13] [ 3.62718442e-02 3.62718442e-02 1.07636955e-11] [-3.25064975e-12 -3.05528218e-03 -2.30964818e-03] [-3.31608851e-11 3.05528219e-03 -2.30964818e-03] [-1.84859376e-12 -3.05528219e-03 2.30964818e-03] [-3.42016910e-12 3.05528224e-03 2.30964817e-03] [-3.05528221e-03 -7.32633159e-12 -2.30964817e-03] [-3.05528221e-03 -4.80514052e-12 2.30964817e-03] [ 3.05528220e-03 5.72554157e-14 -2.30964816e-03] [ 3.05528220e-03 4.14966238e-13 2.30964817e-03] [-3.62718442e-02 -3.62718442e-02 -5.32958982e-12] [ 3.62718442e-02 -3.62718442e-02 3.03594832e-12] [-3.62718442e-02 3.62718442e-02 3.16335454e-12] [ 3.62718442e-02 3.62718442e-02 1.78268207e-12]] Final stress: [-7.78923026e-04 -7.78923026e-04 -7.62839974e-04 9.14724457e-15 1.53645773e-15 -1.19108731e-14] Minimization converged after 51 steps. Minimization converged after 51 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.39714118e-02 1.46716059e-12 -2.33939170e-12] [ 1.39714118e-02 1.63491443e-12 5.96026006e-12] [ 9.24462763e-13 -8.61804473e-03 -5.11004978e-03] [ 3.87767596e-12 8.61804473e-03 5.11004978e-03] [ 6.41028745e-12 -1.00897708e-02 -4.37896451e-02] [ 1.46660462e-12 1.00897708e-02 4.37896451e-02] [-1.39714118e-02 3.31661695e-12 3.61531853e-12] [ 1.39714118e-02 5.64770019e-13 -3.28903971e-12] [-4.97367772e-13 -8.61804474e-03 -5.11004978e-03] [ 1.60245948e-13 8.61804473e-03 5.11004979e-03] [-4.24714170e-12 -1.00897708e-02 -4.37896451e-02] [ 1.59975505e-12 1.00897708e-02 4.37896451e-02] [ 1.61791537e-02 -6.64629618e-03 2.41309794e-02] [ 5.75314315e-02 3.04327236e-02 1.42210571e-02] [ 5.75314315e-02 -3.04327236e-02 -1.42210571e-02] [ 1.61791537e-02 6.64629619e-03 -2.41309794e-02] [-5.75314315e-02 -3.04327236e-02 -1.42210571e-02] [-1.61791537e-02 6.64629619e-03 -2.41309794e-02] [-5.75314315e-02 3.04327236e-02 1.42210571e-02] [-1.61791537e-02 -6.64629619e-03 2.41309794e-02] [ 1.61791537e-02 -6.64629619e-03 2.41309794e-02] [ 5.75314315e-02 3.04327236e-02 1.42210571e-02] [ 5.75314315e-02 -3.04327236e-02 -1.42210571e-02] [ 1.61791537e-02 6.64629619e-03 -2.41309794e-02] [-5.75314315e-02 -3.04327236e-02 -1.42210571e-02] [-1.61791537e-02 6.64629618e-03 -2.41309794e-02] [-5.75314315e-02 3.04327236e-02 1.42210570e-02] [-1.61791537e-02 -6.64629619e-03 2.41309794e-02] [ 1.12140575e-11 8.91184349e-12 -5.51914070e-12] [-1.70172483e-11 1.21764913e-12 -3.20692740e-12] [-1.48107082e-11 9.14450946e-02 6.31586850e-02] [-2.24743800e-11 4.39496127e-02 -6.88836242e-02] [ 7.89788027e-12 -4.39496127e-02 6.88836243e-02] [ 9.97522551e-12 -9.14450946e-02 -6.31586850e-02] [ 2.46355403e-02 1.91131385e-02 3.49074916e-03] [ 2.46355403e-02 -1.91131385e-02 -3.49074915e-03] [-2.46355403e-02 1.91131385e-02 3.49074918e-03] [-2.46355403e-02 -1.91131385e-02 -3.49074915e-03] [-2.26272037e-03 1.29011444e-03 6.88125537e-03] [ 2.26272036e-03 1.29011444e-03 6.88125535e-03] [-2.26272037e-03 -1.29011443e-03 -6.88125532e-03] [ 2.26272037e-03 -1.29011443e-03 -6.88125536e-03] [ 7.73224540e-12 9.14450946e-02 6.31586851e-02] [ 1.69249077e-12 4.39496127e-02 -6.88836242e-02] [-1.01043271e-11 -4.39496127e-02 6.88836242e-02] [-5.68336957e-12 -9.14450946e-02 -6.31586851e-02] [ 2.46355404e-02 1.91131384e-02 3.49074913e-03] [ 2.46355404e-02 -1.91131384e-02 -3.49074912e-03] [-2.46355404e-02 1.91131384e-02 3.49074912e-03] [-2.46355403e-02 -1.91131385e-02 -3.49074915e-03] [-2.26272041e-03 1.29011447e-03 6.88125535e-03] [ 2.26272039e-03 1.29011447e-03 6.88125536e-03] [-2.26272041e-03 -1.29011447e-03 -6.88125537e-03] [ 2.26272040e-03 -1.29011448e-03 -6.88125537e-03]] Final stress: [-6.70932931e-04 -7.13263534e-04 8.16117509e-04 6.78103041e-06 4.96975593e-15 -6.96663678e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.39513889e-02 -4.98118213e-12 2.83500610e-12] [ 1.39513889e-02 -1.45958245e-12 1.11319287e-12] [-2.36479673e-13 -8.54774518e-03 5.08463218e-03] [ 4.96688801e-12 8.54774519e-03 -5.08463217e-03] [ 1.38376669e-12 1.01128065e-02 -4.38766460e-02] [ 3.21762061e-12 -1.01128065e-02 4.38766459e-02] [-1.39513889e-02 -7.66652236e-12 3.00284038e-13] [ 1.39513889e-02 -5.13721010e-13 -9.41518535e-13] [ 7.51899411e-13 -8.54774519e-03 5.08463218e-03] [-1.24927412e-13 8.54774519e-03 -5.08463218e-03] [-3.52655622e-12 1.01128065e-02 -4.38766460e-02] [ 1.48625339e-12 -1.01128065e-02 4.38766460e-02] [-5.77695100e-02 -3.06013721e-02 1.42551982e-02] [-1.62046817e-02 6.65580016e-03 2.41978614e-02] [-1.62046817e-02 -6.65580015e-03 -2.41978614e-02] [-5.77695100e-02 3.06013721e-02 -1.42551982e-02] [ 1.62046817e-02 -6.65580015e-03 -2.41978614e-02] [ 5.77695100e-02 3.06013721e-02 -1.42551982e-02] [ 1.62046817e-02 6.65580015e-03 2.41978614e-02] [ 5.77695100e-02 -3.06013721e-02 1.42551982e-02] [-5.77695100e-02 -3.06013721e-02 1.42551982e-02] [-1.62046817e-02 6.65580015e-03 2.41978614e-02] [-1.62046817e-02 -6.65580016e-03 -2.41978614e-02] [-5.77695100e-02 3.06013721e-02 -1.42551982e-02] [ 1.62046817e-02 -6.65580015e-03 -2.41978614e-02] [ 5.77695100e-02 3.06013721e-02 -1.42551982e-02] [ 1.62046817e-02 6.65580015e-03 2.41978614e-02] [ 5.77695100e-02 -3.06013721e-02 1.42551982e-02] [ 6.50340892e-13 2.23551733e-12 1.24715238e-11] [ 9.82915138e-13 1.86303750e-13 -5.31604075e-12] [-5.11257703e-13 -4.42204630e-02 -6.92684900e-02] [-7.55160864e-12 -9.19158286e-02 6.35282887e-02] [ 7.57513670e-12 9.19158286e-02 -6.35282887e-02] [-3.62648727e-12 4.42204630e-02 6.92684900e-02] [ 2.47536311e-02 -1.92291151e-02 3.55389991e-03] [ 2.47536311e-02 1.92291151e-02 -3.55389989e-03] [-2.47536311e-02 -1.92291151e-02 3.55389989e-03] [-2.47536311e-02 1.92291151e-02 -3.55389988e-03] [-2.13975535e-03 1.44507828e-03 -6.90948733e-03] [ 2.13975534e-03 1.44507827e-03 -6.90948734e-03] [-2.13975532e-03 -1.44507826e-03 6.90948735e-03] [ 2.13975531e-03 -1.44507825e-03 6.90948734e-03] [ 3.21472016e-12 -4.42204630e-02 -6.92684899e-02] [-2.21856821e-13 -9.19158286e-02 6.35282887e-02] [ 9.57372940e-12 9.19158286e-02 -6.35282887e-02] [ 7.14093715e-13 4.42204630e-02 6.92684899e-02] [ 2.47536311e-02 -1.92291151e-02 3.55389986e-03] [ 2.47536311e-02 1.92291151e-02 -3.55389985e-03] [-2.47536311e-02 -1.92291151e-02 3.55389985e-03] [-2.47536311e-02 1.92291151e-02 -3.55389985e-03] [-2.13975537e-03 1.44507830e-03 -6.90948733e-03] [ 2.13975539e-03 1.44507832e-03 -6.90948734e-03] [-2.13975538e-03 -1.44507831e-03 6.90948735e-03] [ 2.13975538e-03 -1.44507833e-03 6.90948735e-03]] Final stress: [-6.73820968e-04 -7.16959682e-04 8.12331775e-04 -7.57697993e-06 -3.83414425e-15 -1.46266119e-14] Minimization converged after 51 steps. Minimization converged after 50 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-8.68634862e-03 2.91536587e-12 -5.13017830e-03] [ 8.68634861e-03 3.14748227e-13 5.13017831e-03] [ 2.56152695e-12 -1.39936304e-02 1.44070866e-12] [ 2.82301960e-12 1.39936304e-02 -1.76936243e-12] [-1.00654513e-02 1.99269811e-12 -4.37107941e-02] [ 1.00654513e-02 4.34063896e-12 4.37107941e-02] [-8.68634861e-03 -2.95808560e-12 -5.13017831e-03] [ 8.68634861e-03 -9.36432789e-13 5.13017831e-03] [ 4.75281099e-12 -1.39936304e-02 3.74571709e-12] [-3.38360893e-12 1.39936304e-02 -3.19011737e-12] [-1.00654513e-02 -1.91843419e-13 -4.37107941e-02] [ 1.00654513e-02 1.46036187e-12 4.37107941e-02] [-6.63666729e-03 1.61584132e-02 2.40701423e-02] [ 3.02768718e-02 5.73135559e-02 1.41890614e-02] [ 6.63666729e-03 1.61584132e-02 -2.40701423e-02] [-3.02768718e-02 5.73135559e-02 -1.41890614e-02] [-3.02768718e-02 -5.73135559e-02 -1.41890614e-02] [ 6.63666729e-03 -1.61584132e-02 -2.40701423e-02] [-6.63666730e-03 -1.61584132e-02 2.40701423e-02] [ 3.02768718e-02 -5.73135559e-02 1.41890614e-02] [-6.63666729e-03 1.61584132e-02 2.40701423e-02] [ 3.02768718e-02 5.73135559e-02 1.41890614e-02] [ 6.63666729e-03 1.61584132e-02 -2.40701423e-02] [-3.02768718e-02 5.73135559e-02 -1.41890614e-02] [-3.02768718e-02 -5.73135559e-02 -1.41890614e-02] [ 6.63666730e-03 -1.61584132e-02 -2.40701423e-02] [-6.63666729e-03 -1.61584132e-02 2.40701423e-02] [ 3.02768718e-02 -5.73135559e-02 1.41890614e-02] [ 1.04196374e-11 -1.30420674e-12 -6.53266330e-12] [-4.14772904e-12 -2.34708213e-12 3.71550671e-12] [ 1.90028183e-02 2.45275728e-02 3.43237108e-03] [ 1.90028183e-02 -2.45275728e-02 3.43237104e-03] [-1.90028183e-02 2.45275728e-02 -3.43237106e-03] [-1.90028183e-02 -2.45275728e-02 -3.43237105e-03] [ 9.10129732e-02 -1.94064764e-11 6.28186828e-02] [-4.37002290e-02 -1.84524982e-11 6.85301879e-02] [ 4.37002290e-02 -1.74458000e-11 -6.85301879e-02] [-9.10129733e-02 -4.83216765e-12 -6.28186827e-02] [ 1.14868776e-03 -2.37472009e-03 6.85231946e-03] [-1.14868776e-03 -2.37472010e-03 -6.85231944e-03] [ 1.14868774e-03 2.37472008e-03 6.85231945e-03] [-1.14868774e-03 2.37472008e-03 -6.85231944e-03] [ 1.90028183e-02 2.45275727e-02 3.43237108e-03] [ 1.90028183e-02 -2.45275727e-02 3.43237110e-03] [-1.90028183e-02 2.45275727e-02 -3.43237110e-03] [-1.90028183e-02 -2.45275727e-02 -3.43237112e-03] [ 9.10129733e-02 3.86871902e-12 6.28186827e-02] [-4.37002289e-02 1.42795712e-11 6.85301880e-02] [ 4.37002289e-02 2.73515542e-12 -6.85301880e-02] [-9.10129733e-02 1.22443917e-11 -6.28186827e-02] [ 1.14868769e-03 -2.37472004e-03 6.85231945e-03] [-1.14868767e-03 -2.37472001e-03 -6.85231945e-03] [ 1.14868772e-03 2.37472006e-03 6.85231945e-03] [-1.14868772e-03 2.37472003e-03 -6.85231946e-03]] Final stress: [-7.09863503e-04 -6.68274725e-04 8.19551831e-04 1.96030185e-15 6.07976274e-06 2.94460948e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-8.70621585e-03 4.07493267e-12 5.02550795e-03] [ 8.70621585e-03 2.42794673e-12 -5.02550795e-03] [-5.19661571e-13 -1.40540151e-02 4.48826306e-12] [ 5.22545895e-12 1.40540151e-02 4.56079619e-13] [ 9.99774426e-03 -7.88764995e-13 -4.37982798e-02] [-9.99774426e-03 1.03864140e-12 4.37982798e-02] [-8.70621584e-03 -4.90470945e-13 5.02550795e-03] [ 8.70621586e-03 4.66389861e-12 -5.02550796e-03] [-2.18465957e-12 -1.40540151e-02 -5.39033219e-12] [-4.44749099e-12 1.40540151e-02 -2.19784497e-13] [ 9.99774425e-03 -3.26342934e-13 -4.37982798e-02] [-9.99774426e-03 -2.77184235e-12 4.37982798e-02] [-3.03889172e-02 -5.75555993e-02 1.42301397e-02] [ 6.64300891e-03 -1.62502479e-02 2.41360090e-02] [ 3.03889172e-02 -5.75555993e-02 -1.42301397e-02] [-6.64300891e-03 -1.62502479e-02 -2.41360091e-02] [-6.64300892e-03 1.62502479e-02 -2.41360091e-02] [ 3.03889172e-02 5.75555993e-02 -1.42301397e-02] [-3.03889172e-02 5.75555993e-02 1.42301397e-02] [ 6.64300891e-03 1.62502479e-02 2.41360090e-02] [-3.03889172e-02 -5.75555993e-02 1.42301397e-02] [ 6.64300892e-03 -1.62502479e-02 2.41360091e-02] [ 3.03889172e-02 -5.75555993e-02 -1.42301397e-02] [-6.64300892e-03 -1.62502479e-02 -2.41360091e-02] [-6.64300892e-03 1.62502479e-02 -2.41360091e-02] [ 3.03889172e-02 5.75555993e-02 -1.42301397e-02] [-3.03889172e-02 5.75555993e-02 1.42301397e-02] [ 6.64300892e-03 1.62502479e-02 2.41360091e-02] [ 8.90107432e-12 -7.91947063e-12 7.26901872e-12] [-3.69880602e-12 -1.13877402e-12 3.29848720e-12] [-1.90383947e-02 2.44978632e-02 3.64107510e-03] [-1.90383947e-02 -2.44978633e-02 3.64107507e-03] [ 1.90383947e-02 2.44978632e-02 -3.64107510e-03] [ 1.90383947e-02 -2.44978633e-02 -3.64107508e-03] [-4.40572758e-02 -1.94201322e-11 -6.86907767e-02] [ 9.12722603e-02 -1.53787486e-11 -6.32784325e-02] [-9.12722603e-02 -3.73565415e-12 6.32784325e-02] [ 4.40572759e-02 -4.80082739e-12 6.86907767e-02] [ 1.27561795e-03 -2.27224150e-03 -6.82238618e-03] [-1.27561796e-03 -2.27224153e-03 6.82238617e-03] [ 1.27561795e-03 2.27224150e-03 -6.82238618e-03] [-1.27561796e-03 2.27224152e-03 6.82238617e-03] [-1.90383947e-02 2.44978633e-02 3.64107509e-03] [-1.90383947e-02 -2.44978633e-02 3.64107510e-03] [ 1.90383947e-02 2.44978633e-02 -3.64107507e-03] [ 1.90383947e-02 -2.44978633e-02 -3.64107509e-03] [-4.40572759e-02 2.01628780e-12 -6.86907767e-02] [ 9.12722603e-02 1.27513360e-11 -6.32784325e-02] [-9.12722603e-02 -8.87118720e-12 6.32784325e-02] [ 4.40572759e-02 4.50047378e-12 6.86907767e-02] [ 1.27561794e-03 -2.27224152e-03 -6.82238617e-03] [-1.27561791e-03 -2.27224148e-03 6.82238620e-03] [ 1.27561797e-03 2.27224154e-03 -6.82238618e-03] [-1.27561797e-03 2.27224153e-03 6.82238619e-03]] Final stress: [-7.12751136e-04 -6.70500187e-04 8.16069359e-04 -4.98638275e-15 -7.47368145e-06 -2.80993226e-16] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.68551553e-03 1.90992579e-02 2.73234950e-12] [-1.68551552e-03 -1.90992579e-02 -7.86398724e-13] [ 1.90992579e-02 1.68551552e-03 4.80702240e-12] [-1.90992579e-02 -1.68551550e-03 7.25119964e-12] [-5.92425056e-12 1.59773974e-12 -5.75747842e-02] [-1.34714462e-12 2.45192755e-12 5.75747841e-02] [ 1.68551551e-03 1.90992579e-02 -4.28809413e-12] [-1.68551552e-03 -1.90992579e-02 -6.15402321e-12] [ 1.90992579e-02 1.68551552e-03 -3.85097586e-12] [-1.90992579e-02 -1.68551551e-03 -3.12385674e-12] [-3.06871455e-12 -4.85135156e-12 -5.75747841e-02] [ 2.21910858e-12 9.30862296e-13 5.75747841e-02] [-1.95568259e-02 -1.95568259e-02 6.75636300e-02] [ 1.95568259e-02 1.95568259e-02 6.75636299e-02] [ 3.19602722e-02 -3.19602722e-02 2.78852659e-02] [-3.19602722e-02 3.19602722e-02 2.78852659e-02] [-1.95568259e-02 -1.95568259e-02 -6.75636300e-02] [ 1.95568259e-02 1.95568259e-02 -6.75636299e-02] [-3.19602722e-02 3.19602722e-02 -2.78852659e-02] [ 3.19602722e-02 -3.19602722e-02 -2.78852659e-02] [-1.95568259e-02 -1.95568259e-02 6.75636299e-02] [ 1.95568259e-02 1.95568259e-02 6.75636299e-02] [ 3.19602722e-02 -3.19602722e-02 2.78852659e-02] [-3.19602722e-02 3.19602722e-02 2.78852659e-02] [-1.95568259e-02 -1.95568259e-02 -6.75636300e-02] [ 1.95568259e-02 1.95568259e-02 -6.75636299e-02] [-3.19602722e-02 3.19602722e-02 -2.78852659e-02] [ 3.19602722e-02 -3.19602722e-02 -2.78852659e-02] [-1.89512295e-12 -1.34384448e-11 2.87088686e-11] [ 1.57391418e-12 -4.32433426e-12 2.32126807e-12] [ 2.37366831e-02 3.94478473e-02 1.37645384e-03] [-2.37366831e-02 -3.94478473e-02 1.37645384e-03] [ 2.37366831e-02 3.94478473e-02 -1.37645387e-03] [-2.37366831e-02 -3.94478473e-02 -1.37645386e-03] [ 3.94478473e-02 2.37366831e-02 1.37645381e-03] [ 3.94478473e-02 2.37366831e-02 -1.37645382e-03] [-3.94478473e-02 -2.37366831e-02 1.37645381e-03] [-3.94478473e-02 -2.37366831e-02 -1.37645383e-03] [ 1.19339349e-01 1.19339349e-01 -8.47766302e-13] [ 7.71869385e-02 -7.71869384e-02 -1.76290059e-12] [-7.71869385e-02 7.71869384e-02 -8.46767621e-12] [-1.19339349e-01 -1.19339349e-01 -1.43594407e-11] [ 2.37366831e-02 3.94478473e-02 1.37645383e-03] [-2.37366831e-02 -3.94478473e-02 1.37645382e-03] [ 2.37366831e-02 3.94478473e-02 -1.37645381e-03] [-2.37366831e-02 -3.94478473e-02 -1.37645383e-03] [ 3.94478473e-02 2.37366831e-02 1.37645386e-03] [ 3.94478473e-02 2.37366831e-02 -1.37645385e-03] [-3.94478473e-02 -2.37366831e-02 1.37645386e-03] [-3.94478473e-02 -2.37366831e-02 -1.37645385e-03] [ 1.19339349e-01 1.19339349e-01 1.93175622e-11] [ 7.71869384e-02 -7.71869385e-02 2.38002105e-11] [-7.71869384e-02 7.71869384e-02 2.43670260e-11] [-1.19339349e-01 -1.19339349e-01 7.21600254e-12]] Final stress: [-3.96017020e-04 -3.96017020e-04 5.61889377e-04 -1.12231022e-15 -9.45068340e-15 -6.88215215e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.68593548e-03 -1.91000471e-02 1.34646244e-12] [-1.68593549e-03 1.91000471e-02 6.81499301e-12] [-1.91000471e-02 1.68593547e-03 -1.14223301e-13] [ 1.91000471e-02 -1.68593549e-03 5.84238213e-12] [ 2.07256196e-12 3.72501997e-12 -5.75755087e-02] [ 7.53619389e-13 -1.47104551e-15 5.75755087e-02] [ 1.68593549e-03 -1.91000471e-02 2.37567307e-12] [-1.68593548e-03 1.91000471e-02 -2.55000230e-12] [-1.91000471e-02 1.68593549e-03 -8.07989880e-13] [ 1.91000471e-02 -1.68593548e-03 -2.05833813e-12] [-3.75725102e-12 2.51042895e-12 -5.75755087e-02] [-1.68938301e-12 -1.15624991e-12 5.75755088e-02] [-3.19607849e-02 -3.19607849e-02 -2.78860260e-02] [ 3.19607849e-02 3.19607849e-02 -2.78860260e-02] [ 1.95571854e-02 -1.95571854e-02 -6.75643530e-02] [-1.95571854e-02 1.95571854e-02 -6.75643530e-02] [-3.19607849e-02 -3.19607849e-02 2.78860260e-02] [ 3.19607849e-02 3.19607849e-02 2.78860260e-02] [-1.95571854e-02 1.95571854e-02 6.75643530e-02] [ 1.95571854e-02 -1.95571854e-02 6.75643530e-02] [-3.19607849e-02 -3.19607849e-02 -2.78860260e-02] [ 3.19607849e-02 3.19607849e-02 -2.78860260e-02] [ 1.95571854e-02 -1.95571855e-02 -6.75643530e-02] [-1.95571854e-02 1.95571854e-02 -6.75643530e-02] [-3.19607849e-02 -3.19607849e-02 2.78860260e-02] [ 3.19607849e-02 3.19607849e-02 2.78860260e-02] [-1.95571854e-02 1.95571854e-02 6.75643530e-02] [ 1.95571854e-02 -1.95571855e-02 6.75643530e-02] [ 1.55488955e-11 1.70504444e-11 5.89853166e-12] [-1.12062052e-12 -1.25059629e-11 -4.03346451e-12] [-2.37368747e-02 3.94488116e-02 1.37629091e-03] [ 2.37368747e-02 -3.94488116e-02 1.37629092e-03] [-2.37368747e-02 3.94488116e-02 -1.37629092e-03] [ 2.37368747e-02 -3.94488116e-02 -1.37629093e-03] [ 3.94488115e-02 -2.37368747e-02 1.37629096e-03] [ 3.94488115e-02 -2.37368747e-02 -1.37629100e-03] [-3.94488115e-02 2.37368747e-02 1.37629096e-03] [-3.94488115e-02 2.37368747e-02 -1.37629099e-03] [-7.71875942e-02 -7.71875943e-02 -8.22986124e-12] [-1.19342597e-01 1.19342597e-01 -2.51917254e-11] [ 1.19342597e-01 -1.19342597e-01 3.18096244e-13] [ 7.71875943e-02 7.71875943e-02 -1.96650890e-11] [-2.37368747e-02 3.94488115e-02 1.37629097e-03] [ 2.37368747e-02 -3.94488115e-02 1.37629101e-03] [-2.37368747e-02 3.94488116e-02 -1.37629096e-03] [ 2.37368747e-02 -3.94488116e-02 -1.37629098e-03] [ 3.94488116e-02 -2.37368747e-02 1.37629093e-03] [ 3.94488116e-02 -2.37368747e-02 -1.37629092e-03] [-3.94488116e-02 2.37368747e-02 1.37629093e-03] [-3.94488116e-02 2.37368747e-02 -1.37629093e-03] [-7.71875943e-02 -7.71875942e-02 5.53753733e-12] [-1.19342597e-01 1.19342597e-01 1.44713066e-11] [ 1.19342597e-01 -1.19342597e-01 1.59043357e-11] [ 7.71875943e-02 7.71875942e-02 4.67818362e-12]] Final stress: [-3.96016330e-04 -3.96016330e-04 5.61860713e-04 2.72846085e-15 3.63794780e-15 6.88177722e-05] Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.87892671e-03 -4.27401170e-14 1.87367483e-14] [-4.87892671e-03 -1.49047441e-14 -1.22957200e-14] [-2.53386721e-14 3.54839877e-03 -4.78870416e-15] [ 5.32907052e-15 -3.54839877e-03 3.13638004e-15] [ 1.07800054e-14 -1.23720478e-14 3.54839877e-03] [-5.57887070e-15 -4.58244553e-14 -3.54839877e-03] [ 4.87892671e-03 -1.89392772e-14 -8.83017205e-15] [-4.87892671e-03 2.97045374e-14 -7.70771526e-15] [-1.83208483e-14 3.54839877e-03 1.13133023e-14] [-4.78610207e-15 -3.54839877e-03 -6.36064142e-14] [-2.40762271e-14 -3.40193635e-14 3.54839877e-03] [-3.16890611e-14 8.64072664e-15 -3.54839877e-03] [-8.88993731e-04 1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 -1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 -1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 1.14131712e-03 -1.14131712e-03] [ 8.88993731e-04 -1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 -1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 1.14131712e-03 1.14131712e-03] [-8.88993731e-04 1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 -1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 -1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 1.14131712e-03 -1.14131712e-03] [ 8.88993731e-04 -1.14131712e-03 -1.14131712e-03] [-8.88993731e-04 -1.14131712e-03 1.14131712e-03] [ 8.88993731e-04 1.14131712e-03 1.14131712e-03] [-7.56894547e-14 -1.37279077e-13 3.29208882e-13] [-1.38747520e-14 -2.55873326e-14 -6.34761874e-14] [-3.99680289e-15 2.38062184e-03 2.38062184e-03] [-1.25080502e-13 -2.38062184e-03 2.38062184e-03] [-6.82717771e-14 2.38062184e-03 -2.38062184e-03] [-1.60701313e-13 -2.38062184e-03 -2.38062184e-03] [-4.51219858e-04 -1.31783473e-13 1.11598116e-03] [-4.51219859e-04 1.61416019e-14 -1.11598116e-03] [ 4.51219858e-04 -8.43439901e-14 1.11598116e-03] [ 4.51219858e-04 3.29389294e-14 -1.11598116e-03] [-4.51219857e-04 1.11598116e-03 -1.09801057e-13] [ 4.51219857e-04 1.11598116e-03 1.21760241e-14] [-4.51219857e-04 -1.11598116e-03 -1.55746943e-13] [ 4.51219857e-04 -1.11598116e-03 -2.02185491e-13] [ 7.79862286e-14 2.38062184e-03 2.38062184e-03] [-2.26893157e-14 -2.38062184e-03 2.38062184e-03] [ 6.05297062e-14 2.38062184e-03 -2.38062184e-03] [ 6.07187911e-14 -2.38062184e-03 -2.38062184e-03] [-4.51219857e-04 6.77450140e-14 1.11598116e-03] [-4.51219857e-04 -1.65460094e-14 -1.11598116e-03] [ 4.51219858e-04 1.22618929e-14 1.11598116e-03] [ 4.51219857e-04 -2.39782152e-15 -1.11598116e-03] [-4.51219858e-04 1.11598116e-03 2.33425769e-13] [ 4.51219859e-04 1.11598116e-03 2.12732992e-13] [-4.51219858e-04 -1.11598116e-03 3.12166508e-13] [ 4.51219859e-04 -1.11598116e-03 2.53417946e-13]] Final stress: [-1.32621209e-04 6.06185675e-05 6.06185675e-05 1.01402837e-16 8.31170794e-17 -2.12779723e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.00131870e-02 -1.12076147e-14 2.53898682e-13] [ 2.00131870e-02 -6.02101702e-13 2.34340325e-13] [-2.57589523e-13 -1.52999047e-02 -5.27399305e-15] [ 2.16132667e-13 1.52999047e-02 4.49973392e-13] [ 3.22019755e-13 -3.21489797e-13 -1.52999047e-02] [ 4.83224571e-14 -4.70817829e-13 1.52999047e-02] [-2.00131870e-02 -6.11529924e-13 -7.85425630e-14] [ 2.00131870e-02 -2.36858710e-13 2.93703795e-13] [-4.51285277e-13 -1.52999047e-02 3.21495807e-13] [ 2.97607858e-13 1.52999047e-02 -5.34094127e-13] [-4.32323448e-14 4.04109219e-13 -1.52999047e-02] [-2.17484884e-13 -1.27104239e-13 1.52999047e-02] [ 6.17364686e-03 -7.02158652e-03 -7.02158652e-03] [-6.17364686e-03 7.02158652e-03 -7.02158652e-03] [-6.17364686e-03 -7.02158652e-03 7.02158652e-03] [ 6.17364686e-03 7.02158652e-03 7.02158652e-03] [ 6.17364685e-03 -7.02158652e-03 7.02158652e-03] [-6.17364686e-03 7.02158652e-03 7.02158652e-03] [ 6.17364685e-03 7.02158652e-03 -7.02158652e-03] [-6.17364686e-03 -7.02158652e-03 -7.02158652e-03] [ 6.17364686e-03 -7.02158652e-03 -7.02158652e-03] [-6.17364685e-03 7.02158652e-03 -7.02158652e-03] [-6.17364685e-03 -7.02158652e-03 7.02158652e-03] [ 6.17364686e-03 7.02158652e-03 7.02158652e-03] [ 6.17364685e-03 -7.02158652e-03 7.02158652e-03] [-6.17364685e-03 7.02158652e-03 7.02158652e-03] [ 6.17364685e-03 7.02158652e-03 -7.02158652e-03] [-6.17364685e-03 -7.02158652e-03 -7.02158652e-03] [-9.35890254e-13 1.59733338e-13 -7.44321271e-13] [ 3.84095533e-13 7.45846903e-13 2.94199244e-14] [ 8.92175223e-13 -1.64506231e-02 -1.64506231e-02] [ 1.12061402e-12 1.64506231e-02 -1.64506231e-02] [ 8.34920674e-13 -1.64506231e-02 1.64506231e-02] [ 2.09329082e-13 1.64506231e-02 1.64506231e-02] [-3.14725816e-03 1.82587279e-12 -3.40723539e-05] [-3.14725815e-03 1.51619689e-12 3.40723570e-05] [ 3.14725816e-03 6.02821612e-13 -3.40723524e-05] [ 3.14725815e-03 1.84371615e-12 3.40723569e-05] [-3.14725815e-03 -3.40723579e-05 -3.76143561e-13] [ 3.14725815e-03 -3.40723577e-05 1.10272382e-12] [-3.14725815e-03 3.40723583e-05 4.77394166e-13] [ 3.14725815e-03 3.40723563e-05 8.45318607e-13] [-4.19029828e-13 -1.64506231e-02 -1.64506231e-02] [ 1.80103762e-13 1.64506231e-02 -1.64506231e-02] [-6.08922635e-13 -1.64506231e-02 1.64506231e-02] [-2.39975140e-13 1.64506231e-02 1.64506231e-02] [-3.14725815e-03 1.51114287e-12 -3.40723587e-05] [-3.14725815e-03 1.39950334e-13 3.40723564e-05] [ 3.14725815e-03 4.32747588e-13 -3.40723596e-05] [ 3.14725815e-03 -3.27217854e-13 3.40723587e-05] [-3.14725815e-03 -3.40723563e-05 -1.86178525e-12] [ 3.14725815e-03 -3.40723576e-05 -1.64742508e-12] [-3.14725816e-03 3.40723546e-05 -1.79520421e-12] [ 3.14725816e-03 3.40723544e-05 -7.27041691e-13]] Final stress: [ 7.15602718e-04 -8.12369625e-05 -8.12369625e-05 1.26532962e-15 6.81715038e-17 -4.65561489e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.49298261e-03 -1.97353418e-13 1.91316581e-13] [-1.49298261e-03 -1.12992948e-13 1.82936999e-13] [ 2.76932557e-13 1.49298261e-03 3.15258670e-13] [-1.57041047e-13 -1.49298261e-03 3.96627176e-14] [-9.56344379e-14 2.49216880e-13 1.80019686e-04] [ 1.08579812e-13 2.44720910e-13 -1.80019687e-04] [ 1.49298261e-03 -7.26896841e-14 -4.28290397e-15] [-1.49298261e-03 1.70503368e-13 1.09095898e-13] [ 2.53625246e-14 1.49298261e-03 1.60523019e-14] [-4.15544335e-14 -1.49298261e-03 -1.48036478e-13] [ 2.65700222e-13 -2.54355198e-13 1.80019688e-04] [ 2.67841305e-14 -2.15194345e-13 -1.80019687e-04] [ 1.37073930e-05 1.37073936e-05 5.97991421e-04] [-1.37073932e-05 -1.37073927e-05 5.97991421e-04] [-1.37073931e-05 1.37073931e-05 -5.97991421e-04] [ 1.37073925e-05 -1.37073928e-05 -5.97991422e-04] [ 1.37073926e-05 1.37073931e-05 -5.97991421e-04] [-1.37073930e-05 -1.37073919e-05 -5.97991422e-04] [ 1.37073937e-05 -1.37073927e-05 5.97991422e-04] [-1.37073932e-05 1.37073934e-05 5.97991421e-04] [ 1.37073926e-05 1.37073935e-05 5.97991421e-04] [-1.37073933e-05 -1.37073926e-05 5.97991420e-04] [-1.37073934e-05 1.37073934e-05 -5.97991421e-04] [ 1.37073934e-05 -1.37073935e-05 -5.97991421e-04] [ 1.37073931e-05 1.37073935e-05 -5.97991421e-04] [-1.37073934e-05 -1.37073931e-05 -5.97991421e-04] [ 1.37073932e-05 -1.37073929e-05 5.97991420e-04] [-1.37073928e-05 1.37073932e-05 5.97991421e-04] [-4.40897319e-13 -1.39777079e-13 1.54698476e-12] [-7.53291093e-13 1.58510508e-13 -6.34125411e-13] [-1.90847338e-13 -5.39809868e-04 3.53806390e-04] [-4.77701212e-13 5.39809870e-04 3.53806393e-04] [ 1.61919089e-14 -5.39809868e-04 -3.53806390e-04] [-2.36879960e-13 5.39809868e-04 -3.53806391e-04] [-5.39809871e-04 -1.54987134e-13 3.53806394e-04] [-5.39809870e-04 6.91374041e-13 -3.53806392e-04] [ 5.39809870e-04 3.31212488e-13 3.53806392e-04] [ 5.39809869e-04 8.10622403e-13 -3.53806391e-04] [-4.92714948e-04 -4.92714949e-04 1.33892897e-12] [ 4.92714949e-04 -4.92714948e-04 9.92156010e-13] [-4.92714948e-04 4.92714949e-04 9.95217797e-13] [ 4.92714949e-04 4.92714948e-04 8.62495839e-13] [-3.01460246e-13 -5.39809869e-04 3.53806391e-04] [-6.35676407e-14 5.39809868e-04 3.53806391e-04] [-9.28085733e-14 -5.39809870e-04 -3.53806393e-04] [ 3.07911249e-13 5.39809871e-04 -3.53806393e-04] [-5.39809869e-04 -1.09036905e-12 3.53806391e-04] [-5.39809870e-04 -4.57213694e-13 -3.53806393e-04] [ 5.39809868e-04 -2.76982864e-13 3.53806391e-04] [ 5.39809870e-04 -9.15125614e-13 -3.53806392e-04] [-4.92714948e-04 -4.92714948e-04 2.12092481e-13] [ 4.92714949e-04 -4.92714947e-04 -3.80255777e-13] [-4.92714949e-04 4.92714946e-04 4.51910204e-13] [ 4.92714950e-04 4.92714946e-04 4.74906139e-13]] Final stress: [ 1.03272189e-05 1.03272189e-05 7.32116909e-05 8.31170792e-18 -3.42442366e-16 4.92053109e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.39896274e-03 -8.21287482e-14 2.90876264e-13] [-4.39896274e-03 -7.44682094e-14 3.05616643e-13] [ 1.78650497e-13 -4.26703685e-03 3.02194901e-13] [ 1.61815006e-13 4.26703685e-03 2.87186941e-13] [ 3.13368689e-13 -5.41650058e-14 6.37954301e-05] [ 2.53963517e-13 -2.61457522e-14 -6.37954298e-05] [ 4.39896274e-03 -1.22712604e-13 1.04992882e-13] [-4.39896274e-03 -5.17897357e-14 -4.20183275e-16] [-9.36273628e-14 -4.26703685e-03 -8.58268802e-14] [ 5.15880741e-14 4.26703685e-03 -5.34203346e-14] [ 1.17211796e-13 1.17394854e-13 6.37954294e-05] [ 4.61930841e-14 4.85346172e-14 -6.37954298e-05] [ 4.23413401e-04 -4.38607876e-04 -1.19908167e-05] [-4.23413401e-04 4.38607876e-04 -1.19908168e-05] [-4.23413401e-04 -4.38607876e-04 1.19908165e-05] [ 4.23413401e-04 4.38607876e-04 1.19908164e-05] [ 4.23413402e-04 -4.38607876e-04 1.19908164e-05] [-4.23413401e-04 4.38607875e-04 1.19908167e-05] [ 4.23413401e-04 4.38607875e-04 -1.19908167e-05] [-4.23413402e-04 -4.38607876e-04 -1.19908167e-05] [ 4.23413401e-04 -4.38607875e-04 -1.19908172e-05] [-4.23413401e-04 4.38607876e-04 -1.19908171e-05] [-4.23413402e-04 -4.38607875e-04 1.19908165e-05] [ 4.23413401e-04 4.38607875e-04 1.19908164e-05] [ 4.23413401e-04 -4.38607875e-04 1.19908165e-05] [-4.23413401e-04 4.38607876e-04 1.19908163e-05] [ 4.23413401e-04 4.38607875e-04 -1.19908171e-05] [-4.23413402e-04 -4.38607875e-04 -1.19908172e-05] [ 1.97009076e-13 -3.48610030e-13 7.57255370e-13] [-2.10832653e-13 4.07110525e-14 1.70617367e-13] [-5.10813614e-13 7.43890828e-05 9.32918454e-06] [-2.36952818e-13 -7.43890825e-05 9.32918458e-06] [-2.44851014e-13 7.43890824e-05 -9.32918443e-06] [-1.36696210e-14 -7.43890819e-05 -9.32918453e-06] [-8.93895327e-05 -3.57491814e-13 -3.17932984e-05] [-8.93895333e-05 -2.60080152e-13 3.17932983e-05] [ 8.93895325e-05 -5.05071679e-13 -3.17932988e-05] [ 8.93895336e-05 -4.64602315e-13 3.17932984e-05] [-9.06646877e-05 3.19574225e-05 4.46309656e-13] [ 9.06646872e-05 3.19574217e-05 2.42590670e-13] [-9.06646876e-05 -3.19574223e-05 3.56940172e-13] [ 9.06646872e-05 -3.19574219e-05 1.11795989e-13] [-4.25111335e-14 7.43890827e-05 9.32918441e-06] [ 5.03078482e-14 -7.43890826e-05 9.32918444e-06] [-2.83570910e-14 7.43890831e-05 -9.32918416e-06] [ 2.23944127e-14 -7.43890825e-05 -9.32918442e-06] [-8.93895338e-05 -8.80470610e-14 -3.17932981e-05] [-8.93895334e-05 -1.13111343e-13 3.17932985e-05] [ 8.93895340e-05 -9.75291896e-14 -3.17932978e-05] [ 8.93895343e-05 2.31494511e-14 3.17932972e-05] [-9.06646867e-05 3.19574215e-05 3.15773874e-13] [ 9.06646866e-05 3.19574216e-05 2.66462901e-13] [-9.06646864e-05 -3.19574209e-05 3.13104140e-13] [ 9.06646866e-05 -3.19574217e-05 1.56122511e-13]] Final stress: [-5.46761444e-05 5.51744126e-05 2.43072843e-07 2.66004893e-17 4.88783991e-16 -2.62679832e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.26703685e-03 -1.77293943e-13 1.13610076e-13] [ 4.26703685e-03 -1.71807013e-13 2.52381449e-13] [ 2.01328537e-13 4.39896274e-03 3.10704587e-13] [ 2.24070762e-13 -4.39896274e-03 2.97789571e-13] [ 2.80908109e-13 -8.92506555e-14 6.37954297e-05] [ 2.30010455e-13 -5.87030424e-14 -6.37954298e-05] [-4.26703685e-03 4.15188717e-14 6.38706936e-14] [ 4.26703685e-03 -6.12526523e-14 5.93864518e-14] [ 2.44366159e-14 4.39896274e-03 8.06818537e-14] [-4.43833338e-14 -4.39896274e-03 1.92211034e-14] [-8.65627015e-15 2.02060929e-15 6.37954294e-05] [ 5.11786794e-14 -4.43589125e-14 -6.37954299e-05] [-4.38607876e-04 4.23413402e-04 -1.19908167e-05] [ 4.38607875e-04 -4.23413401e-04 -1.19908168e-05] [ 4.38607876e-04 4.23413401e-04 1.19908167e-05] [-4.38607876e-04 -4.23413401e-04 1.19908166e-05] [-4.38607876e-04 4.23413401e-04 1.19908163e-05] [ 4.38607876e-04 -4.23413401e-04 1.19908163e-05] [-4.38607876e-04 -4.23413401e-04 -1.19908166e-05] [ 4.38607875e-04 4.23413401e-04 -1.19908168e-05] [-4.38607876e-04 4.23413402e-04 -1.19908171e-05] [ 4.38607875e-04 -4.23413401e-04 -1.19908172e-05] [ 4.38607875e-04 4.23413402e-04 1.19908163e-05] [-4.38607876e-04 -4.23413401e-04 1.19908165e-05] [-4.38607876e-04 4.23413402e-04 1.19908165e-05] [ 4.38607875e-04 -4.23413401e-04 1.19908164e-05] [-4.38607876e-04 -4.23413401e-04 -1.19908173e-05] [ 4.38607875e-04 4.23413402e-04 -1.19908171e-05] [ 3.36369821e-13 -5.36709566e-13 8.35470582e-13] [-4.80207887e-13 -1.02865400e-13 1.17672694e-13] [-4.09672296e-14 -8.93895332e-05 -3.17932982e-05] [-7.56044533e-14 8.93895332e-05 -3.17932982e-05] [ 1.35086387e-13 -8.93895337e-05 3.17932982e-05] [ 9.98957861e-14 8.93895337e-05 3.17932982e-05] [ 7.43890832e-05 -5.06594766e-13 9.32918416e-06] [ 7.43890830e-05 -3.58938573e-13 -9.32918414e-06] [-7.43890826e-05 -4.49177154e-13 9.32918448e-06] [-7.43890823e-05 -3.41627768e-13 -9.32918439e-06] [ 3.19574214e-05 -9.06646867e-05 4.91273688e-13] [-3.19574213e-05 -9.06646867e-05 3.55451779e-13] [ 3.19574214e-05 9.06646867e-05 7.13561155e-13] [-3.19574214e-05 9.06646869e-05 2.14403148e-13] [-8.50075219e-14 -8.93895332e-05 -3.17932984e-05] [-4.36998528e-14 8.93895337e-05 -3.17932983e-05] [-3.87679906e-13 -8.93895333e-05 3.17932986e-05] [-4.99643729e-13 8.93895339e-05 3.17932983e-05] [ 7.43890824e-05 -6.03788842e-14 9.32918462e-06] [ 7.43890826e-05 -7.28486282e-14 -9.32918443e-06] [-7.43890824e-05 -6.62404159e-14 9.32918459e-06] [-7.43890821e-05 -4.83875093e-14 -9.32918539e-06] [ 3.19574218e-05 -9.06646869e-05 2.35822646e-13] [-3.19574222e-05 -9.06646871e-05 1.27844638e-13] [ 3.19574219e-05 9.06646870e-05 1.41761457e-13] [-3.19574223e-05 9.06646871e-05 2.70148921e-13]] Final stress: [ 5.51744126e-05 -5.46761444e-05 2.43072844e-07 9.47642431e-17 -2.66004893e-17 3.14218280e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.19655086e-03 1.23980687e-14 1.29080774e-13] [ 1.19655086e-03 3.13082893e-14 -3.91353616e-14] [ 5.09245424e-14 -1.19655086e-03 -3.36150378e-14] [ 4.87665464e-14 1.19655086e-03 5.14865928e-14] [-1.08277970e-13 8.96921426e-14 -2.25010946e-04] [ 2.34812170e-14 1.37112544e-14 2.25010946e-04] [-1.19655086e-03 1.00594012e-13 -1.77246666e-14] [ 1.19655086e-03 7.13491766e-14 -8.78010357e-14] [-1.84597129e-13 -1.19655086e-03 2.01529303e-14] [-6.09716271e-14 1.19655086e-03 -7.99345765e-14] [ 3.61672498e-14 -9.41442537e-14 -2.25010946e-04] [ 1.31233566e-13 1.60628175e-13 2.25010946e-04] [-6.25448352e-05 -6.25448351e-05 -5.32534315e-04] [ 6.25448356e-05 6.25448351e-05 -5.32534315e-04] [ 6.25448356e-05 -6.25448352e-05 5.32534316e-04] [-6.25448352e-05 6.25448356e-05 5.32534315e-04] [-6.25448354e-05 -6.25448351e-05 5.32534315e-04] [ 6.25448356e-05 6.25448352e-05 5.32534316e-04] [-6.25448352e-05 6.25448352e-05 -5.32534315e-04] [ 6.25448354e-05 -6.25448351e-05 -5.32534315e-04] [-6.25448356e-05 -6.25448353e-05 -5.32534315e-04] [ 6.25448354e-05 6.25448354e-05 -5.32534315e-04] [ 6.25448351e-05 -6.25448352e-05 5.32534315e-04] [-6.25448355e-05 6.25448353e-05 5.32534315e-04] [-6.25448356e-05 -6.25448353e-05 5.32534315e-04] [ 6.25448352e-05 6.25448351e-05 5.32534315e-04] [-6.25448355e-05 6.25448356e-05 -5.32534315e-04] [ 6.25448353e-05 -6.25448352e-05 -5.32534315e-04] [ 4.40480985e-13 -3.50330875e-13 5.42760281e-13] [-4.23546181e-13 -2.90295856e-13 -3.40747101e-13] [-1.89182003e-13 -2.62901703e-04 -1.46279729e-04] [-5.44434289e-13 2.62901703e-04 -1.46279729e-04] [-8.06125999e-14 -2.62901703e-04 1.46279729e-04] [-1.99493200e-13 2.62901703e-04 1.46279729e-04] [-2.62901703e-04 -4.44644321e-13 -1.46279729e-04] [-2.62901703e-04 -4.12402751e-13 1.46279729e-04] [ 2.62901703e-04 -4.09580356e-13 -1.46279729e-04] [ 2.62901703e-04 -5.82346671e-14 1.46279730e-04] [ 1.46248125e-04 1.46248126e-04 5.22470955e-13] [-1.46248125e-04 1.46248125e-04 1.32335115e-13] [ 1.46248126e-04 -1.46248126e-04 2.61318744e-13] [-1.46248126e-04 -1.46248125e-04 -1.33537278e-13] [-7.79116355e-14 -2.62901703e-04 -1.46279729e-04] [-8.49784652e-14 2.62901703e-04 -1.46279729e-04] [ 9.44860509e-15 -2.62901703e-04 1.46279729e-04] [-2.34810001e-13 2.62901703e-04 1.46279729e-04] [-2.62901703e-04 -3.77954313e-13 -1.46279729e-04] [-2.62901702e-04 -4.30801445e-13 1.46279730e-04] [ 2.62901703e-04 -1.58538547e-13 -1.46279729e-04] [ 2.62901703e-04 -1.03422479e-13 1.46279728e-04] [ 1.46248126e-04 1.46248125e-04 6.89398038e-14] [-1.46248125e-04 1.46248126e-04 4.35480509e-14] [ 1.46248126e-04 -1.46248125e-04 9.62394091e-14] [-1.46248126e-04 -1.46248125e-04 -3.11790090e-13]] Final stress: [-6.62529753e-06 -6.62529753e-06 -6.00266686e-05 -1.77910997e-16 1.82899156e-17 -1.72922838e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.46211729e-03 -1.59477032e-13 5.23582913e-15] [-1.46211729e-03 -1.80910842e-13 -2.44526621e-14] [ 1.06865038e-13 1.53938412e-04 1.34523902e-13] [ 1.45300438e-13 -1.53938412e-04 -8.81517082e-14] [ 1.57686364e-14 -3.06934166e-13 1.46211729e-03] [ 2.07694972e-13 -1.02889919e-13 -1.46211729e-03] [ 1.46211729e-03 8.23043890e-14 -3.89733343e-14] [-1.46211729e-03 -3.42512477e-14 -5.03075817e-14] [-4.21459742e-14 1.53938411e-04 4.09420001e-13] [ 2.03751946e-14 -1.53938411e-04 1.68761241e-13] [ 2.18972410e-13 -5.18207041e-14 1.46211729e-03] [ 1.21486154e-13 -3.44584114e-14 -1.46211729e-03] [ 1.57397288e-05 5.93124181e-04 1.57397287e-05] [-1.57397292e-05 -5.93124181e-04 1.57397291e-05] [-1.57397292e-05 5.93124181e-04 -1.57397290e-05] [ 1.57397294e-05 -5.93124180e-04 -1.57397293e-05] [ 1.57397289e-05 5.93124181e-04 -1.57397293e-05] [-1.57397294e-05 -5.93124181e-04 -1.57397293e-05] [ 1.57397289e-05 -5.93124181e-04 1.57397289e-05] [-1.57397288e-05 5.93124181e-04 1.57397290e-05] [ 1.57397285e-05 5.93124182e-04 1.57397286e-05] [-1.57397292e-05 -5.93124181e-04 1.57397283e-05] [-1.57397292e-05 5.93124182e-04 -1.57397291e-05] [ 1.57397283e-05 -5.93124181e-04 -1.57397289e-05] [ 1.57397285e-05 5.93124182e-04 -1.57397288e-05] [-1.57397290e-05 -5.93124181e-04 -1.57397290e-05] [ 1.57397284e-05 -5.93124180e-04 1.57397283e-05] [-1.57397291e-05 5.93124181e-04 1.57397285e-05] [ 7.39464046e-13 -1.30129241e-12 9.25454158e-13] [ 9.56219912e-13 8.15967190e-14 1.73045963e-12] [ 5.15365528e-13 3.55295656e-04 -5.37174932e-04] [ 5.91093147e-13 -3.55295657e-04 -5.37174932e-04] [ 5.33306038e-13 3.55295656e-04 5.37174933e-04] [ 5.42239864e-14 -3.55295655e-04 5.37174931e-04] [-4.86005613e-04 -2.37254660e-13 -4.86005613e-04] [-4.86005613e-04 6.70592054e-14 4.86005613e-04] [ 4.86005612e-04 1.46221577e-13 -4.86005614e-04] [ 4.86005614e-04 -1.30919581e-14 4.86005612e-04] [-5.37174932e-04 3.55295656e-04 3.58602037e-14] [ 5.37174932e-04 3.55295656e-04 2.10702983e-13] [-5.37174930e-04 -3.55295655e-04 5.60169966e-13] [ 5.37174931e-04 -3.55295656e-04 4.79795023e-13] [-5.08153415e-13 3.55295655e-04 -5.37174931e-04] [-7.47128054e-14 -3.55295656e-04 -5.37174932e-04] [-1.02297511e-13 3.55295655e-04 5.37174932e-04] [ 1.33813099e-13 -3.55295657e-04 5.37174932e-04] [-4.86005613e-04 -3.68329526e-13 -4.86005613e-04] [-4.86005613e-04 -5.17754242e-14 4.86005614e-04] [ 4.86005613e-04 -1.77898104e-12 -4.86005614e-04] [ 4.86005613e-04 -1.39225437e-13 4.86005614e-04] [-5.37174932e-04 3.55295656e-04 1.70660300e-12] [ 5.37174932e-04 3.55295656e-04 4.40142948e-13] [-5.37174932e-04 -3.55295657e-04 6.19838413e-13] [ 5.37174932e-04 -3.55295656e-04 4.60009635e-14]] Final stress: [ 1.04672509e-05 7.28321667e-05 1.04672509e-05 2.57662945e-16 1.72883525e-16 -2.17766747e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.39896274e-03 -8.62873141e-14 1.06059692e-13] [-4.39896274e-03 -1.14463994e-13 1.47576396e-13] [ 1.05335879e-13 6.37954297e-05 2.50835377e-13] [ 1.60538249e-13 -6.37954298e-05 1.44384504e-13] [ 1.56562263e-13 -1.04203104e-13 -4.26703685e-03] [ 1.35641498e-13 -3.25295346e-14 4.26703685e-03] [ 4.39896274e-03 6.99201981e-14 -6.71222242e-14] [-4.39896274e-03 3.84150177e-14 1.01818022e-14] [-2.22421907e-14 6.37954307e-05 3.04712402e-14] [ 2.41395445e-14 -6.37954298e-05 1.02570226e-13] [ 3.43119630e-14 -1.66420697e-14 -4.26703685e-03] [-4.62607383e-14 2.44469792e-14 4.26703685e-03] [ 4.23413401e-04 -1.19908166e-05 -4.38607875e-04] [-4.23413401e-04 1.19908164e-05 -4.38607876e-04] [-4.23413401e-04 -1.19908165e-05 4.38607875e-04] [ 4.23413401e-04 1.19908164e-05 4.38607875e-04] [ 4.23413401e-04 -1.19908165e-05 4.38607875e-04] [-4.23413401e-04 1.19908165e-05 4.38607875e-04] [ 4.23413401e-04 1.19908164e-05 -4.38607876e-04] [-4.23413401e-04 -1.19908165e-05 -4.38607876e-04] [ 4.23413401e-04 -1.19908161e-05 -4.38607876e-04] [-4.23413401e-04 1.19908166e-05 -4.38607876e-04] [-4.23413401e-04 -1.19908160e-05 4.38607875e-04] [ 4.23413401e-04 1.19908165e-05 4.38607875e-04] [ 4.23413401e-04 -1.19908161e-05 4.38607875e-04] [-4.23413401e-04 1.19908166e-05 4.38607875e-04] [ 4.23413401e-04 1.19908165e-05 -4.38607876e-04] [-4.23413401e-04 -1.19908161e-05 -4.38607876e-04] [ 9.82269821e-14 -4.82780482e-13 3.16607851e-13] [-1.51342480e-13 -1.66527868e-13 1.26841067e-13] [ 1.33781874e-13 9.32918449e-06 7.43890822e-05] [ 1.32761857e-13 -9.32918440e-06 7.43890828e-05] [ 2.97678548e-15 9.32918404e-06 -7.43890824e-05] [-1.09417683e-13 -9.32918414e-06 -7.43890825e-05] [-9.06646866e-05 -8.31335001e-13 3.19574215e-05] [-9.06646866e-05 -6.40269088e-13 -3.19574213e-05] [ 9.06646867e-05 -5.42031697e-13 3.19574215e-05] [ 9.06646871e-05 -4.68824632e-13 -3.19574217e-05] [-8.93895332e-05 -3.17932987e-05 2.44249065e-13] [ 8.93895335e-05 -3.17932986e-05 2.29830044e-13] [-8.93895338e-05 3.17932981e-05 3.98465982e-15] [ 8.93895336e-05 3.17932981e-05 4.30315505e-14] [-1.44877600e-13 9.32918455e-06 7.43890824e-05] [-1.61215225e-13 -9.32918415e-06 7.43890828e-05] [-2.03032036e-14 9.32918485e-06 -7.43890821e-05] [-4.30254790e-14 -9.32918384e-06 -7.43890833e-05] [-9.06646869e-05 -4.75444760e-15 3.19574217e-05] [-9.06646869e-05 -1.33392429e-13 -3.19574219e-05] [ 9.06646866e-05 5.95435160e-14 3.19574218e-05] [ 9.06646867e-05 -2.90778686e-14 -3.19574218e-05] [-8.93895333e-05 -3.17932984e-05 2.37236330e-13] [ 8.93895335e-05 -3.17932984e-05 2.16097722e-14] [-8.93895332e-05 3.17932986e-05 2.83893392e-13] [ 8.93895325e-05 3.17932989e-05 1.22958501e-13]] Final stress: [-5.46761444e-05 2.43072843e-07 5.51744126e-05 -9.47642431e-17 -6.98262844e-17 4.65508563e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.26703685e-03 -1.82369311e-13 1.59893366e-13] [ 4.26703685e-03 -1.40415457e-13 1.91541227e-13] [ 2.33748351e-13 6.37954296e-05 8.00731009e-14] [ 3.16913162e-13 -6.37954299e-05 1.45744528e-13] [ 2.47527259e-13 -2.66280054e-16 4.39896274e-03] [ 2.17104112e-13 -8.29614155e-14 -4.39896274e-03] [-4.26703685e-03 8.97589295e-15 9.60024696e-14] [ 4.26703685e-03 -1.54727359e-13 6.61449859e-14] [ 8.91977464e-14 6.37954307e-05 7.24942743e-14] [ 1.24472047e-13 -6.37954299e-05 3.34352889e-14] [-2.39478576e-15 1.29985365e-14 4.39896274e-03] [ 6.06823619e-14 4.42364061e-14 -4.39896274e-03] [-4.38607876e-04 -1.19908165e-05 4.23413401e-04] [ 4.38607876e-04 1.19908165e-05 4.23413401e-04] [ 4.38607875e-04 -1.19908167e-05 -4.23413401e-04] [-4.38607876e-04 1.19908165e-05 -4.23413402e-04] [-4.38607876e-04 -1.19908166e-05 -4.23413402e-04] [ 4.38607876e-04 1.19908167e-05 -4.23413402e-04] [-4.38607876e-04 1.19908163e-05 4.23413401e-04] [ 4.38607875e-04 -1.19908165e-05 4.23413401e-04] [-4.38607876e-04 -1.19908160e-05 4.23413401e-04] [ 4.38607876e-04 1.19908164e-05 4.23413401e-04] [ 4.38607875e-04 -1.19908160e-05 -4.23413401e-04] [-4.38607876e-04 1.19908166e-05 -4.23413402e-04] [-4.38607876e-04 -1.19908162e-05 -4.23413401e-04] [ 4.38607876e-04 1.19908165e-05 -4.23413402e-04] [-4.38607876e-04 1.19908165e-05 4.23413401e-04] [ 4.38607875e-04 -1.19908159e-05 4.23413401e-04] [ 3.59934305e-13 -4.27158309e-13 2.30593322e-13] [-4.26597126e-13 -1.65250949e-13 2.64281095e-14] [ 2.25153229e-13 -3.17932988e-05 -8.93895332e-05] [ 1.30135486e-13 3.17932982e-05 -8.93895338e-05] [ 1.37709288e-13 -3.17932981e-05 8.93895338e-05] [-7.51135265e-15 3.17932983e-05 8.93895337e-05] [ 3.19574214e-05 -6.44817533e-13 -9.06646865e-05] [ 3.19574217e-05 -5.17306684e-13 9.06646871e-05] [-3.19574216e-05 -4.24547550e-13 -9.06646867e-05] [-3.19574219e-05 -3.65422970e-13 9.06646871e-05] [ 7.43890826e-05 9.32918401e-06 3.40061312e-13] [-7.43890822e-05 9.32918417e-06 4.18333770e-13] [ 7.43890825e-05 -9.32918433e-06 3.79701479e-13] [-7.43890824e-05 -9.32918434e-06 2.63891339e-13] [ 1.66276281e-13 -3.17932979e-05 -8.93895337e-05] [ 5.78530279e-15 3.17932985e-05 -8.93895334e-05] [ 1.52257981e-13 -3.17932985e-05 8.93895330e-05] [ 8.98066344e-15 3.17932991e-05 8.93895325e-05] [ 3.19574221e-05 -2.90930389e-14 -9.06646872e-05] [ 3.19574214e-05 1.83260091e-13 9.06646866e-05] [-3.19574223e-05 4.84495256e-14 -9.06646870e-05] [-3.19574218e-05 1.66383400e-13 9.06646868e-05] [ 7.43890826e-05 9.32918435e-06 1.80019876e-14] [-7.43890824e-05 9.32918446e-06 1.95534236e-14] [ 7.43890827e-05 -9.32918426e-06 -1.87921957e-13] [-7.43890835e-05 -9.32918416e-06 -1.46776688e-13]] Final stress: [ 5.51744126e-05 2.43072843e-07 -5.46761444e-05 4.98759174e-17 -8.14639985e-17 3.00918035e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.19463258e-03 -8.06047937e-14 6.55621391e-14] [ 1.19463258e-03 6.48370246e-14 -8.02968803e-14] [-1.16638036e-13 -2.21557019e-04 -6.11043334e-14] [-3.24296145e-13 2.21557020e-04 -2.45636844e-14] [ 9.86623977e-14 2.12078619e-14 -1.19463258e-03] [ 1.09329212e-13 3.58046925e-15 1.19463258e-03] [-1.19463258e-03 3.11595368e-14 -2.46741460e-13] [ 1.19463258e-03 1.02225953e-13 -2.41329629e-14] [ 3.10970867e-14 -2.21557019e-04 3.28987422e-14] [ 1.15452353e-13 2.21557019e-04 3.25279130e-14] [-7.60199195e-14 8.32427505e-14 -1.19463258e-03] [-8.98278847e-14 8.11579058e-14 1.19463258e-03] [-6.32384796e-05 -5.33300962e-04 -6.32384801e-05] [ 6.32384801e-05 5.33300962e-04 -6.32384797e-05] [ 6.32384800e-05 -5.33300962e-04 6.32384800e-05] [-6.32384800e-05 5.33300962e-04 6.32384801e-05] [-6.32384800e-05 -5.33300962e-04 6.32384798e-05] [ 6.32384802e-05 5.33300962e-04 6.32384798e-05] [-6.32384797e-05 5.33300962e-04 -6.32384798e-05] [ 6.32384800e-05 -5.33300962e-04 -6.32384799e-05] [-6.32384797e-05 -5.33300963e-04 -6.32384798e-05] [ 6.32384801e-05 5.33300962e-04 -6.32384798e-05] [ 6.32384798e-05 -5.33300962e-04 6.32384798e-05] [-6.32384799e-05 5.33300962e-04 6.32384799e-05] [-6.32384796e-05 -5.33300962e-04 6.32384799e-05] [ 6.32384799e-05 5.33300962e-04 6.32384799e-05] [-6.32384798e-05 5.33300962e-04 -6.32384800e-05] [ 6.32384799e-05 -5.33300962e-04 -6.32384804e-05] [ 2.57960320e-13 -3.58407748e-13 3.44585471e-13] [-1.33352964e-13 -1.32168148e-13 -4.54856538e-13] [ 8.54871729e-14 -1.46085384e-04 -2.66387406e-04] [-2.19690585e-13 1.46085384e-04 -2.66387406e-04] [-1.91685209e-13 -1.46085385e-04 2.66387406e-04] [ 5.34051969e-14 1.46085385e-04 2.66387405e-04] [ 1.44633338e-04 -6.75015599e-14 1.44633338e-04] [ 1.44633338e-04 -1.02222050e-13 -1.44633339e-04] [-1.44633339e-04 -6.32334463e-13 1.44633338e-04] [-1.44633338e-04 -4.88553642e-13 -1.44633339e-04] [-2.66387406e-04 -1.46085385e-04 -1.42219569e-13] [ 2.66387406e-04 -1.46085385e-04 -1.71217207e-13] [-2.66387406e-04 1.46085384e-04 -4.17894885e-15] [ 2.66387406e-04 1.46085385e-04 -1.21708199e-13] [-1.54919480e-13 -1.46085385e-04 -2.66387406e-04] [-3.50655269e-13 1.46085385e-04 -2.66387405e-04] [ 2.50553051e-13 -1.46085384e-04 2.66387406e-04] [-2.80141361e-13 1.46085385e-04 2.66387406e-04] [ 1.44633338e-04 -3.62606350e-13 1.44633339e-04] [ 1.44633339e-04 -1.57755753e-14 -1.44633338e-04] [-1.44633338e-04 -1.57777871e-13 1.44633339e-04] [-1.44633339e-04 -6.28520673e-14 -1.44633338e-04] [-2.66387406e-04 -1.46085384e-04 7.97248370e-13] [ 2.66387406e-04 -1.46085384e-04 5.50392153e-13] [-2.66387406e-04 1.46085385e-04 6.16224252e-13] [ 2.66387406e-04 1.46085384e-04 5.08377195e-13]] Final stress: [-6.57261223e-06 -6.00077903e-05 -6.57261223e-06 -0.00000000e+00 -1.77910997e-16 2.46082501e-16] Minimization converged after 36 steps. Minimization converged after 36 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.18683139e-03 1.00190689e-13 3.71233659e-06] [-1.18683139e-03 -4.86832796e-14 -3.71233649e-06] [-1.26767954e-13 2.93527411e-04 7.88249674e-14] [-4.36317649e-14 -2.93527410e-04 2.48912002e-13] [ 5.61241065e-06 2.14935708e-13 2.96657445e-04] [-5.61241081e-06 3.03562731e-13 -2.96657446e-04] [ 1.18683139e-03 3.38119290e-14 3.71233655e-06] [-1.18683139e-03 -9.12642358e-14 -3.71233674e-06] [ 1.20616191e-13 2.93527411e-04 1.67999246e-14] [ 1.60778509e-13 -2.93527411e-04 -1.16622855e-13] [ 5.61241060e-06 1.23409198e-14 2.96657446e-04] [-5.61241071e-06 8.98870064e-14 -2.96657446e-04] [-1.92801988e-04 1.12754037e-03 3.47857433e-04] [ 2.15470385e-04 4.55759379e-04 3.26674559e-04] [ 1.92801988e-04 1.12754036e-03 -3.47857433e-04] [-2.15470385e-04 4.55759379e-04 -3.26674558e-04] [-2.15470385e-04 -4.55759379e-04 -3.26674558e-04] [ 1.92801988e-04 -1.12754037e-03 -3.47857433e-04] [-1.92801988e-04 -1.12754037e-03 3.47857433e-04] [ 2.15470385e-04 -4.55759379e-04 3.26674559e-04] [-1.92801989e-04 1.12754036e-03 3.47857433e-04] [ 2.15470385e-04 4.55759379e-04 3.26674558e-04] [ 1.92801988e-04 1.12754036e-03 -3.47857433e-04] [-2.15470385e-04 4.55759379e-04 -3.26674559e-04] [-2.15470385e-04 -4.55759379e-04 -3.26674559e-04] [ 1.92801988e-04 -1.12754037e-03 -3.47857433e-04] [-1.92801988e-04 -1.12754037e-03 3.47857433e-04] [ 2.15470385e-04 -4.55759379e-04 3.26674558e-04] [ 1.70502501e-13 1.89653848e-13 5.65991698e-13] [ 1.53872574e-13 8.68165332e-14 -9.60550679e-14] [ 5.39011676e-04 5.57159227e-04 5.57813943e-04] [ 5.39011676e-04 -5.57159227e-04 5.57813944e-04] [-5.39011676e-04 5.57159226e-04 -5.57813944e-04] [-5.39011676e-04 -5.57159226e-04 -5.57813945e-04] [ 8.37184959e-04 2.77555756e-15 1.09304352e-03] [-9.59179362e-04 2.84600468e-13 7.03859490e-04] [ 9.59179361e-04 1.06230996e-13 -7.03859490e-04] [-8.37184958e-04 2.61072414e-13 -1.09304352e-03] [-6.12412410e-05 1.93701676e-04 5.37373101e-04] [ 6.12412415e-05 1.93701677e-04 -5.37373102e-04] [-6.12412411e-05 -1.93701676e-04 5.37373101e-04] [ 6.12412413e-05 -1.93701676e-04 -5.37373102e-04] [ 5.39011676e-04 5.57159227e-04 5.57813943e-04] [ 5.39011676e-04 -5.57159227e-04 5.57813943e-04] [-5.39011676e-04 5.57159227e-04 -5.57813943e-04] [-5.39011677e-04 -5.57159228e-04 -5.57813943e-04] [ 8.37184957e-04 -2.53879368e-13 1.09304353e-03] [-9.59179362e-04 -2.74259782e-13 7.03859489e-04] [ 9.59179362e-04 -1.32673386e-13 -7.03859489e-04] [-8.37184958e-04 -1.00190689e-13 -1.09304352e-03] [-6.12412404e-05 1.93701675e-04 5.37373102e-04] [ 6.12412405e-05 1.93701675e-04 -5.37373101e-04] [-6.12412407e-05 -1.93701676e-04 5.37373102e-04] [ 6.12412409e-05 -1.93701676e-04 -5.37373101e-04]] Final stress: [-3.31148684e-05 2.71082036e-05 2.71425670e-05 -3.98984660e-16 2.57781916e-05 3.95659788e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.28632656e-04 -4.16767315e-16 5.83814120e-05] [-5.28632656e-04 -3.80806497e-14 -5.83814119e-05] [-1.42390440e-14 9.54741682e-05 -4.17491562e-14] [-9.63118474e-15 -9.54741682e-05 -5.86197757e-14] [ 5.72640993e-05 -7.71084585e-15 9.64699878e-05] [-5.72640994e-05 2.41751064e-14 -9.64699880e-05] [ 5.28632656e-04 -1.60526974e-14 5.83814120e-05] [-5.28632656e-04 1.26027661e-14 -5.83814120e-05] [ 3.73590048e-14 9.54741683e-05 -1.56987101e-14] [ 4.15856585e-15 -9.54741683e-05 -1.78804639e-14] [ 5.72640993e-05 1.54552936e-14 9.64699878e-05] [-5.72640993e-05 -1.83850833e-15 -9.64699878e-05] [-1.20278884e-04 -1.76420197e-04 1.40877081e-04] [ 9.14774763e-05 -4.86172815e-04 1.69756378e-04] [ 1.20278884e-04 -1.76420197e-04 -1.40877081e-04] [-9.14774765e-05 -4.86172815e-04 -1.69756378e-04] [-9.14774764e-05 4.86172815e-04 -1.69756378e-04] [ 1.20278884e-04 1.76420197e-04 -1.40877081e-04] [-1.20278884e-04 1.76420197e-04 1.40877081e-04] [ 9.14774764e-05 4.86172815e-04 1.69756378e-04] [-1.20278884e-04 -1.76420198e-04 1.40877081e-04] [ 9.14774765e-05 -4.86172815e-04 1.69756378e-04] [ 1.20278884e-04 -1.76420197e-04 -1.40877081e-04] [-9.14774764e-05 -4.86172815e-04 -1.69756378e-04] [-9.14774764e-05 4.86172816e-04 -1.69756378e-04] [ 1.20278884e-04 1.76420197e-04 -1.40877081e-04] [-1.20278884e-04 1.76420198e-04 1.40877081e-04] [ 9.14774765e-05 4.86172815e-04 1.69756378e-04] [-2.17603713e-14 -5.49837953e-14 2.45053977e-13] [-1.43288159e-15 -2.36761705e-14 -4.24871451e-14] [-2.47576990e-04 2.57611880e-04 2.57670582e-04] [-2.47576990e-04 -2.57611880e-04 2.57670582e-04] [ 2.47576990e-04 2.57611880e-04 -2.57670582e-04] [ 2.47576990e-04 -2.57611880e-04 -2.57670582e-04] [-4.15037171e-04 -1.05360165e-13 -3.32982281e-04] [ 3.72630588e-04 -9.39838485e-14 -4.55762918e-04] [-3.72630589e-04 -1.27280131e-13 4.55762917e-04] [ 4.15037171e-04 -4.06324280e-14 3.32982281e-04] [-2.12728516e-05 6.12636508e-05 -2.48084765e-04] [ 2.12728515e-05 6.12636507e-05 2.48084765e-04] [-2.12728516e-05 -6.12636508e-05 -2.48084766e-04] [ 2.12728518e-05 -6.12636510e-05 2.48084765e-04] [-2.47576990e-04 2.57611880e-04 2.57670582e-04] [-2.47576990e-04 -2.57611880e-04 2.57670582e-04] [ 2.47576990e-04 2.57611880e-04 -2.57670582e-04] [ 2.47576990e-04 -2.57611880e-04 -2.57670582e-04] [-4.15037172e-04 1.03864956e-13 -3.32982281e-04] [ 3.72630589e-04 7.54862752e-14 -4.55762918e-04] [-3.72630589e-04 -2.59774841e-16 4.55762918e-04] [ 4.15037172e-04 -2.37986714e-14 3.32982281e-04] [-2.12728516e-05 6.12636508e-05 -2.48084766e-04] [ 2.12728517e-05 6.12636508e-05 2.48084766e-04] [-2.12728515e-05 -6.12636507e-05 -2.48084765e-04] [ 2.12728516e-05 -6.12636508e-05 2.48084766e-04]] Final stress: [-1.12305086e-05 2.28823742e-05 2.28896853e-05 9.47588567e-17 -2.56471381e-05 5.48603907e-17] Minimization converged after 64 steps. Minimization converged after 64 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.37990378e-03 4.78453681e-04 2.14679836e-13] [-5.37990378e-03 -4.78453680e-04 2.80386825e-13] [ 4.65321717e-04 1.24517308e-03 1.21285360e-13] [-4.65321718e-04 -1.24517308e-03 -5.70654635e-14] [-2.24175279e-13 1.37632961e-14 1.20348374e-03] [-7.39130979e-14 5.05373521e-13 -1.20348374e-03] [ 5.37990378e-03 4.78453681e-04 1.97130375e-13] [-5.37990378e-03 -4.78453681e-04 -1.70024244e-13] [ 4.65321718e-04 1.24517308e-03 -5.41205709e-14] [-4.65321718e-04 -1.24517308e-03 -1.83826036e-13] [-3.60435206e-13 7.81406470e-15 1.20348374e-03] [-4.06935770e-14 1.06980361e-13 -1.20348374e-03] [-7.91865905e-04 1.31159295e-03 5.43592803e-03] [ 7.91865905e-04 -1.31159295e-03 5.43592803e-03] [ 4.44689684e-04 1.71334490e-03 2.45029163e-03] [-4.44689682e-04 -1.71334490e-03 2.45029163e-03] [-7.91865906e-04 1.31159295e-03 -5.43592803e-03] [ 7.91865905e-04 -1.31159295e-03 -5.43592803e-03] [-4.44689682e-04 -1.71334490e-03 -2.45029163e-03] [ 4.44689682e-04 1.71334490e-03 -2.45029163e-03] [-7.91865905e-04 1.31159295e-03 5.43592802e-03] [ 7.91865906e-04 -1.31159295e-03 5.43592802e-03] [ 4.44689682e-04 1.71334490e-03 2.45029163e-03] [-4.44689682e-04 -1.71334490e-03 2.45029163e-03] [-7.91865905e-04 1.31159295e-03 -5.43592803e-03] [ 7.91865905e-04 -1.31159295e-03 -5.43592803e-03] [-4.44689682e-04 -1.71334490e-03 -2.45029163e-03] [ 4.44689683e-04 1.71334490e-03 -2.45029163e-03] [ 2.17659224e-13 -1.35585987e-12 2.22472041e-12] [ 6.50477935e-14 2.89548759e-14 -9.20314060e-13] [ 3.21940657e-03 2.53096970e-03 2.51387376e-03] [-3.21940657e-03 -2.53096970e-03 2.51387376e-03] [ 3.21940657e-03 2.53096970e-03 -2.51387376e-03] [-3.21940657e-03 -2.53096970e-03 -2.51387376e-03] [-4.34314106e-04 3.13481942e-03 1.55803086e-03] [-4.34314109e-04 3.13481942e-03 -1.55803087e-03] [ 4.34314106e-04 -3.13481943e-03 1.55803086e-03] [ 4.34314108e-04 -3.13481943e-03 -1.55803086e-03] [ 3.66267103e-03 5.65115378e-03 2.99871239e-13] [ 4.51673118e-03 -2.48779257e-03 -5.15755841e-13] [-4.51673118e-03 2.48779257e-03 -6.30891173e-13] [-3.66267103e-03 -5.65115378e-03 -6.89965446e-13] [ 3.21940657e-03 2.53096970e-03 2.51387377e-03] [-3.21940657e-03 -2.53096970e-03 2.51387377e-03] [ 3.21940657e-03 2.53096970e-03 -2.51387376e-03] [-3.21940657e-03 -2.53096970e-03 -2.51387377e-03] [-4.34314103e-04 3.13481943e-03 1.55803086e-03] [-4.34314102e-04 3.13481942e-03 -1.55803086e-03] [ 4.34314104e-04 -3.13481943e-03 1.55803086e-03] [ 4.34314103e-04 -3.13481943e-03 -1.55803086e-03] [ 3.66267103e-03 5.65115378e-03 1.69872478e-12] [ 4.51673118e-03 -2.48779256e-03 1.70997913e-12] [-4.51673118e-03 2.48779256e-03 1.44028398e-13] [-3.66267103e-03 -5.65115378e-03 7.43677255e-13]] Final stress: [-1.71100043e-04 4.96679385e-05 4.89269619e-05 3.19187728e-16 -1.34657323e-16 2.81831811e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 6.14214242e-04 5.54783504e-04 -6.87765817e-14] [-6.14214242e-04 -5.54783504e-04 -4.81004125e-14] [ 5.52956759e-04 -3.43729817e-04 1.02087609e-13] [-5.52956760e-04 3.43729817e-04 8.45157277e-14] [ 5.40340342e-14 -7.41290709e-14 -3.45917165e-04] [ 8.82627305e-15 -5.37070388e-14 3.45917165e-04] [ 6.14214242e-04 5.54783504e-04 -2.88505361e-15] [-6.14214242e-04 -5.54783504e-04 -7.16267038e-14] [ 5.52956760e-04 -3.43729817e-04 -7.46836083e-14] [-5.52956759e-04 3.43729817e-04 -8.02824156e-14] [-8.38990336e-14 2.08381434e-14 -3.45917165e-04] [ 5.63230018e-14 2.05354057e-14 3.45917165e-04] [-4.90474077e-05 2.60059178e-04 1.27933596e-04] [ 4.90474074e-05 -2.60059177e-04 1.27933596e-04] [ 3.07228868e-05 2.76542813e-04 -4.06843872e-04] [-3.07228866e-05 -2.76542813e-04 -4.06843872e-04] [-4.90474077e-05 2.60059178e-04 -1.27933596e-04] [ 4.90474076e-05 -2.60059177e-04 -1.27933596e-04] [-3.07228865e-05 -2.76542813e-04 4.06843872e-04] [ 3.07228865e-05 2.76542813e-04 4.06843872e-04] [-4.90474076e-05 2.60059178e-04 1.27933596e-04] [ 4.90474077e-05 -2.60059177e-04 1.27933596e-04] [ 3.07228865e-05 2.76542813e-04 -4.06843872e-04] [-3.07228866e-05 -2.76542813e-04 -4.06843872e-04] [-4.90474075e-05 2.60059178e-04 -1.27933596e-04] [ 4.90474076e-05 -2.60059178e-04 -1.27933596e-04] [-3.07228867e-05 -2.76542813e-04 4.06843872e-04] [ 3.07228867e-05 2.76542813e-04 4.06843872e-04] [-1.18516308e-14 -9.23150445e-14 2.85632629e-13] [ 6.54879796e-14 3.88418681e-15 -6.53504482e-14] [-7.42657111e-04 4.24680394e-04 4.24555184e-04] [ 7.42657111e-04 -4.24680395e-04 4.24555184e-04] [-7.42657111e-04 4.24680394e-04 -4.24555184e-04] [ 7.42657112e-04 -4.24680394e-04 -4.24555185e-04] [ 5.02416513e-04 -7.42483880e-04 -1.31249162e-04] [ 5.02416512e-04 -7.42483879e-04 1.31249162e-04] [-5.02416513e-04 7.42483879e-04 -1.31249162e-04] [-5.02416512e-04 7.42483880e-04 1.31249161e-04] [ 1.78908443e-05 -6.16137691e-04 2.44471110e-13] [-9.86967544e-04 3.53913862e-04 -1.75243500e-13] [ 9.86967545e-04 -3.53913862e-04 -1.61839292e-13] [-1.78908445e-05 6.16137691e-04 -2.96250871e-13] [-7.42657111e-04 4.24680394e-04 4.24555185e-04] [ 7.42657111e-04 -4.24680394e-04 4.24555185e-04] [-7.42657111e-04 4.24680395e-04 -4.24555184e-04] [ 7.42657111e-04 -4.24680394e-04 -4.24555184e-04] [ 5.02416512e-04 -7.42483880e-04 -1.31249161e-04] [ 5.02416513e-04 -7.42483879e-04 1.31249162e-04] [-5.02416512e-04 7.42483879e-04 -1.31249162e-04] [-5.02416512e-04 7.42483879e-04 1.31249162e-04] [ 1.78908442e-05 -6.16137690e-04 3.50445907e-13] [-9.86967544e-04 3.53913862e-04 3.68221794e-13] [ 9.86967544e-04 -3.53913862e-04 1.80371939e-13] [-1.78908443e-05 6.16137690e-04 1.88330254e-13]] Final stress: [-2.30802685e-05 2.22086636e-05 2.21995277e-05 -1.32994887e-17 -4.82106464e-17 -2.07857451e-05] Minimization converged after 66 steps. Minimization converged after 66 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.52999049e-02 -2.24579903e-13 -3.44063320e-13] [ 1.52999049e-02 -2.20462537e-13 5.28743715e-14] [-1.16536555e-14 -2.00131871e-02 -3.12680003e-13] [ 3.21742633e-13 2.00131871e-02 4.18748369e-13] [ 3.61057538e-13 5.20156834e-15 -1.52999049e-02] [ 2.00589545e-13 -4.89330798e-13 1.52999049e-02] [-1.52999049e-02 -6.70708714e-13 1.72363962e-13] [ 1.52999049e-02 3.75654369e-15 2.09274843e-13] [-2.86939309e-13 -2.00131871e-02 1.92477795e-13] [ 4.91382109e-14 2.00131871e-02 2.04993919e-13] [ 8.09768919e-14 -8.12997750e-15 -1.52999049e-02] [ 1.02054649e-13 -5.74173595e-13 1.52999049e-02] [-7.02158652e-03 6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 -6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 6.17364689e-03 7.02158652e-03] [-7.02158652e-03 -6.17364689e-03 7.02158652e-03] [-7.02158652e-03 6.17364689e-03 7.02158652e-03] [ 7.02158652e-03 -6.17364689e-03 7.02158652e-03] [-7.02158652e-03 -6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 6.17364689e-03 -7.02158652e-03] [-7.02158652e-03 6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 -6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 6.17364689e-03 7.02158652e-03] [-7.02158652e-03 -6.17364689e-03 7.02158652e-03] [-7.02158652e-03 6.17364689e-03 7.02158652e-03] [ 7.02158652e-03 -6.17364689e-03 7.02158652e-03] [-7.02158652e-03 -6.17364689e-03 -7.02158652e-03] [ 7.02158652e-03 6.17364689e-03 -7.02158652e-03] [ 5.56055202e-13 -4.00013356e-13 -1.31128441e-12] [ 4.45151728e-13 1.98275126e-13 -9.78363266e-13] [ 1.13120624e-12 -3.14725797e-03 -3.40724523e-05] [-1.03250741e-14 3.14725797e-03 -3.40724520e-05] [-7.21853133e-14 -3.14725797e-03 3.40724534e-05] [ 5.58815147e-13 3.14725797e-03 3.40724541e-05] [-1.64506231e-02 3.73479025e-13 -1.64506231e-02] [-1.64506231e-02 4.08869119e-13 1.64506231e-02] [ 1.64506231e-02 -3.39412526e-13 -1.64506231e-02] [ 1.64506231e-02 7.78693082e-13 1.64506231e-02] [-3.40724516e-05 -3.14725797e-03 -1.42941214e-12] [ 3.40724525e-05 -3.14725797e-03 -7.02988015e-13] [-3.40724526e-05 3.14725797e-03 -9.76850545e-13] [ 3.40724520e-05 3.14725797e-03 2.05793715e-13] [-4.29777741e-16 -3.14725797e-03 -3.40724509e-05] [-2.95249936e-15 3.14725797e-03 -3.40724519e-05] [ 7.45905074e-14 -3.14725797e-03 3.40724521e-05] [-5.67273225e-13 3.14725797e-03 3.40724522e-05] [-1.64506231e-02 6.86100465e-13 -1.64506231e-02] [-1.64506231e-02 2.41368557e-13 1.64506231e-02] [ 1.64506231e-02 7.92417347e-13 -1.64506231e-02] [ 1.64506231e-02 3.13591167e-13 1.64506231e-02] [-3.40724503e-05 -3.14725797e-03 -1.93652075e-12] [ 3.40724507e-05 -3.14725797e-03 -5.71711149e-13] [-3.40724517e-05 3.14725797e-03 -6.94092312e-13] [ 3.40724512e-05 3.14725797e-03 -3.86939179e-13]] Final stress: [-8.12369631e-05 7.15602717e-04 -8.12369631e-05 -1.82899157e-16 1.54632923e-16 -1.40666079e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.82621823e-04 -2.11681367e-13 3.28572673e-13] [-1.82621824e-04 -5.34738920e-13 -9.07607323e-15] [ 5.70259551e-13 1.47880450e-03 -4.42519285e-14] [ 2.91267011e-13 -1.47880450e-03 -2.57766031e-13] [ 9.57988029e-14 5.63256039e-14 1.47880450e-03] [ 3.05588888e-13 2.95874436e-13 -1.47880450e-03] [ 1.82621824e-04 -4.59515238e-14 -1.70508415e-13] [-1.82621822e-04 2.61545993e-13 1.04026039e-13] [-2.86848236e-13 1.47880450e-03 -2.82938969e-13] [-1.84750219e-13 -1.47880450e-03 -7.12879846e-14] [-3.15431709e-13 -1.61162885e-13 1.47880450e-03] [-3.87846005e-13 -6.89442810e-14 -1.47880450e-03] [ 5.91639914e-04 1.31671353e-05 1.31671352e-05] [-5.91639913e-04 -1.31671353e-05 1.31671353e-05] [-5.91639913e-04 1.31671344e-05 -1.31671352e-05] [ 5.91639913e-04 -1.31671356e-05 -1.31671357e-05] [ 5.91639914e-04 1.31671353e-05 -1.31671359e-05] [-5.91639913e-04 -1.31671346e-05 -1.31671347e-05] [ 5.91639914e-04 -1.31671357e-05 1.31671356e-05] [-5.91639913e-04 1.31671349e-05 1.31671351e-05] [ 5.91639914e-04 1.31671356e-05 1.31671355e-05] [-5.91639914e-04 -1.31671348e-05 1.31671353e-05] [-5.91639914e-04 1.31671357e-05 -1.31671355e-05] [ 5.91639914e-04 -1.31671348e-05 -1.31671348e-05] [ 5.91639914e-04 1.31671356e-05 -1.31671352e-05] [-5.91639914e-04 -1.31671351e-05 -1.31671352e-05] [ 5.91639914e-04 -1.31671345e-05 1.31671337e-05] [-5.91639914e-04 1.31671357e-05 1.31671355e-05] [ 5.63799007e-13 -1.11602394e-12 4.94604357e-13] [-2.09177337e-12 -5.14015968e-13 -1.95376214e-13] [ 3.52717855e-13 -4.85934101e-04 -4.85934105e-04] [ 3.78381354e-13 4.85934101e-04 -4.85934103e-04] [ 1.22578336e-12 -4.85934102e-04 4.85934104e-04] [ 4.54539184e-13 4.85934102e-04 4.85934103e-04] [ 3.48519446e-04 3.53050922e-13 -5.27690668e-04] [ 3.48519446e-04 -6.52689708e-14 5.27690669e-04] [-3.48519445e-04 -6.17839113e-14 -5.27690667e-04] [-3.48519444e-04 7.68950875e-14 5.27690667e-04] [ 3.48519446e-04 -5.27690668e-04 1.96509475e-13] [-3.48519445e-04 -5.27690667e-04 -2.23434118e-13] [ 3.48519447e-04 5.27690669e-04 -8.38478592e-14] [-3.48519445e-04 5.27690667e-04 -2.22424509e-13] [-1.56707113e-12 -4.85934102e-04 -4.85934103e-04] [-3.67364125e-13 4.85934102e-04 -4.85934104e-04] [-3.78078645e-14 -4.85934103e-04 4.85934103e-04] [ 1.49286399e-13 4.85934102e-04 4.85934103e-04] [ 3.48519444e-04 3.44836257e-13 -5.27690666e-04] [ 3.48519446e-04 -1.30341484e-13 5.27690668e-04] [-3.48519448e-04 -3.11673430e-14 -5.27690669e-04] [-3.48519448e-04 -1.35212588e-13 5.27690669e-04] [ 3.48519445e-04 -5.27690666e-04 1.00435117e-12] [-3.48519447e-04 -5.27690667e-04 -6.14148049e-14] [ 3.48519444e-04 5.27690665e-04 1.93053567e-13] [-3.48519446e-04 5.27690666e-04 1.03331406e-13]] Final stress: [ 7.27874659e-05 1.04415809e-05 1.04415809e-05 -4.22234762e-16 -4.48832228e-17 1.99480990e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.37954300e-05 -7.22555696e-14 1.92213433e-13] [-6.37954298e-05 -2.08999484e-14 2.53741472e-13] [ 3.57839192e-13 4.39896274e-03 2.41487819e-13] [ 3.72590847e-13 -4.39896274e-03 2.06057393e-13] [ 3.02784273e-13 -9.21172860e-14 -4.26703685e-03] [ 2.70145017e-13 -8.31557045e-14 4.26703685e-03] [ 6.37954295e-05 -2.26472487e-14 9.47075268e-14] [-6.37954297e-05 -6.74430130e-14 9.34619250e-14] [ 1.70122597e-13 4.39896274e-03 -2.01633498e-14] [ 8.26656452e-14 -4.39896274e-03 1.83492930e-14] [-4.77517331e-14 -7.46453314e-14 -4.26703685e-03] [-7.04119922e-14 6.61942374e-14 4.26703685e-03] [-1.19908167e-05 4.23413401e-04 -4.38607875e-04] [ 1.19908164e-05 -4.23413401e-04 -4.38607876e-04] [ 1.19908164e-05 4.23413401e-04 4.38607875e-04] [-1.19908168e-05 -4.23413401e-04 4.38607875e-04] [-1.19908168e-05 4.23413401e-04 4.38607875e-04] [ 1.19908168e-05 -4.23413401e-04 4.38607875e-04] [-1.19908167e-05 -4.23413401e-04 -4.38607876e-04] [ 1.19908167e-05 4.23413401e-04 -4.38607876e-04] [-1.19908172e-05 4.23413401e-04 -4.38607876e-04] [ 1.19908166e-05 -4.23413401e-04 -4.38607876e-04] [ 1.19908164e-05 4.23413401e-04 4.38607875e-04] [-1.19908172e-05 -4.23413401e-04 4.38607875e-04] [-1.19908171e-05 4.23413401e-04 4.38607875e-04] [ 1.19908164e-05 -4.23413401e-04 4.38607875e-04] [-1.19908172e-05 -4.23413401e-04 -4.38607876e-04] [ 1.19908165e-05 4.23413402e-04 -4.38607876e-04] [ 7.19480031e-13 -4.00846023e-13 5.60829161e-13] [ 1.06856364e-13 -1.24692916e-13 9.45185513e-14] [ 3.46056517e-13 -9.06646866e-05 3.19574215e-05] [ 3.40186213e-13 9.06646864e-05 3.19574209e-05] [ 2.61015168e-13 -9.06646876e-05 -3.19574220e-05] [ 1.41017406e-13 9.06646875e-05 -3.19574217e-05] [ 9.32918401e-06 -5.25579580e-13 7.43890836e-05] [ 9.32918417e-06 -4.35398245e-13 -7.43890828e-05] [-9.32918443e-06 -3.08166687e-13 7.43890828e-05] [-9.32918432e-06 -2.73565892e-13 -7.43890825e-05] [-3.17932983e-05 -8.93895332e-05 -6.08402217e-14] [ 3.17932985e-05 -8.93895337e-05 1.36829784e-13] [-3.17932980e-05 8.93895336e-05 -1.24079566e-13] [ 3.17932984e-05 8.93895335e-05 -4.94413538e-14] [ 3.64708264e-14 -9.06646872e-05 3.19574220e-05] [ 1.53166976e-13 9.06646869e-05 3.19574219e-05] [ 1.17076054e-13 -9.06646873e-05 -3.19574221e-05] [ 2.69262911e-13 9.06646874e-05 -3.19574222e-05] [ 9.32918412e-06 1.11144817e-13 7.43890829e-05] [ 9.32918486e-06 5.79620987e-14 -7.43890824e-05] [-9.32918420e-06 -1.26450499e-13 7.43890829e-05] [-9.32918530e-06 3.71742567e-14 -7.43890821e-05] [-3.17932983e-05 -8.93895335e-05 2.37389000e-13] [ 3.17932987e-05 -8.93895330e-05 6.68809422e-14] [-3.17932981e-05 8.93895339e-05 2.24971727e-13] [ 3.17932980e-05 8.93895337e-05 1.74732624e-13]] Final stress: [ 2.43072844e-07 -5.46761444e-05 5.51744126e-05 -3.12555749e-16 -9.97518348e-18 1.91191017e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 6.37954297e-05 -2.43819721e-14 5.32802968e-14] [-6.37954298e-05 -4.94604357e-14 9.51461132e-14] [ 2.01140320e-13 -4.26703685e-03 1.81354931e-13] [ 2.37115882e-13 4.26703685e-03 2.00506278e-13] [ 4.49889258e-13 -2.04022129e-13 4.39896274e-03] [ 3.58213459e-13 -1.76081372e-13 -4.39896274e-03] [ 6.37954294e-05 2.91086599e-15 -5.54156513e-14] [-6.37954297e-05 -6.86087472e-14 -1.68198500e-16] [-1.63294725e-13 -4.26703685e-03 7.64667911e-14] [-1.31077007e-13 4.26703685e-03 3.67664148e-14] [ 5.10160490e-14 -3.30333367e-14 4.39896274e-03] [ 4.73102460e-14 -1.44191038e-13 -4.39896274e-03] [-1.19908168e-05 -4.38607876e-04 4.23413401e-04] [ 1.19908165e-05 4.38607876e-04 4.23413401e-04] [ 1.19908168e-05 -4.38607876e-04 -4.23413401e-04] [-1.19908167e-05 4.38607876e-04 -4.23413402e-04] [-1.19908169e-05 -4.38607876e-04 -4.23413402e-04] [ 1.19908168e-05 4.38607876e-04 -4.23413401e-04] [-1.19908167e-05 4.38607876e-04 4.23413401e-04] [ 1.19908167e-05 -4.38607876e-04 4.23413402e-04] [-1.19908172e-05 -4.38607876e-04 4.23413401e-04] [ 1.19908165e-05 4.38607876e-04 4.23413401e-04] [ 1.19908164e-05 -4.38607875e-04 -4.23413402e-04] [-1.19908172e-05 4.38607876e-04 -4.23413401e-04] [-1.19908173e-05 -4.38607875e-04 -4.23413401e-04] [ 1.19908165e-05 4.38607876e-04 -4.23413402e-04] [-1.19908172e-05 4.38607876e-04 4.23413401e-04] [ 1.19908165e-05 -4.38607875e-04 4.23413401e-04] [ 8.23174862e-13 -3.86357613e-13 2.08805195e-13] [ 2.53703308e-15 9.39087447e-14 -3.66981988e-14] [ 5.62772051e-13 3.19574219e-05 -9.06646872e-05] [ 8.24833257e-13 -3.19574213e-05 -9.06646866e-05] [ 2.33812969e-13 3.19574219e-05 9.06646873e-05] [ 3.57462324e-13 -3.19574211e-05 9.06646867e-05] [-3.17932983e-05 -2.60902411e-14 -8.93895329e-05] [-3.17932977e-05 2.78544549e-14 8.93895334e-05] [ 3.17932981e-05 -2.11438506e-13 -8.93895335e-05] [ 3.17932985e-05 -2.60369851e-13 8.93895335e-05] [ 9.32918448e-06 7.43890829e-05 -1.11022302e-13] [-9.32918391e-06 7.43890830e-05 1.42882234e-13] [ 9.32918490e-06 -7.43890822e-05 -1.28230759e-13] [-9.32918454e-06 -7.43890823e-05 2.31295885e-13] [ 2.10959722e-14 3.19574215e-05 -9.06646866e-05] [-3.76729897e-14 -3.19574219e-05 -9.06646869e-05] [ 2.41396313e-13 3.19574214e-05 9.06646864e-05] [ 1.57187631e-13 -3.19574215e-05 9.06646867e-05] [-3.17932982e-05 -2.50347153e-13 -8.93895336e-05] [-3.17932986e-05 -2.77263889e-13 8.93895330e-05] [ 3.17932982e-05 -2.12541790e-13 -8.93895336e-05] [ 3.17932974e-05 -1.84742846e-13 8.93895341e-05] [ 9.32918486e-06 7.43890825e-05 1.57039325e-13] [-9.32918577e-06 7.43890819e-05 -1.62307722e-13] [ 9.32918449e-06 -7.43890824e-05 4.91936814e-14] [-9.32918479e-06 -7.43890823e-05 -1.48387379e-13]] Final stress: [ 2.43072843e-07 5.51744126e-05 -5.46761444e-05 9.64267737e-17 7.31513455e-17 1.08064488e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-7.95420497e-04 3.81683834e-13 1.59464456e-15] [ 7.95420497e-04 7.68829445e-15 1.76025861e-13] [ 3.54187166e-15 -2.03243293e-03 7.86879242e-14] [ 6.00908212e-14 2.03243293e-03 1.67449388e-13] [ 6.33521013e-14 1.04882249e-13 -2.03243293e-03] [-2.07278639e-13 -7.38020756e-14 2.03243293e-03] [-7.95420497e-04 -3.17770983e-14 -1.86341284e-13] [ 7.95420497e-04 -4.81212292e-15 -2.31311120e-13] [-1.68723542e-14 -2.03243293e-03 -7.61797919e-14] [-2.01332874e-13 2.03243293e-03 -9.07456653e-14] [-9.32444226e-14 7.08496739e-14 -2.03243293e-03] [-4.80214826e-14 1.59986650e-13 2.03243293e-03] [-7.45117377e-04 -5.90571209e-05 -5.90571211e-05] [ 7.45117377e-04 5.90571213e-05 -5.90571215e-05] [ 7.45117378e-04 -5.90571212e-05 5.90571213e-05] [-7.45117378e-04 5.90571214e-05 5.90571216e-05] [-7.45117377e-04 -5.90571211e-05 5.90571212e-05] [ 7.45117378e-04 5.90571214e-05 5.90571217e-05] [-7.45117377e-04 5.90571209e-05 -5.90571211e-05] [ 7.45117378e-04 -5.90571210e-05 -5.90571212e-05] [-7.45117377e-04 -5.90571214e-05 -5.90571219e-05] [ 7.45117378e-04 5.90571214e-05 -5.90571207e-05] [ 7.45117377e-04 -5.90571210e-05 5.90571209e-05] [-7.45117377e-04 5.90571213e-05 5.90571211e-05] [-7.45117377e-04 -5.90571213e-05 5.90571211e-05] [ 7.45117377e-04 5.90571210e-05 5.90571209e-05] [-7.45117377e-04 5.90571216e-05 -5.90571215e-05] [ 7.45117378e-04 -5.90571215e-05 -5.90571218e-05] [ 4.58189042e-13 2.17048601e-13 1.03089759e-12] [-6.66394457e-13 -8.89044373e-13 -2.84905269e-13] [ 3.14304138e-13 2.30430771e-04 2.30430771e-04] [-1.18119056e-13 -2.30430771e-04 2.30430771e-04] [ 5.32955624e-13 2.30430771e-04 -2.30430771e-04] [ 2.20198859e-13 -2.30430771e-04 -2.30430771e-04] [-1.77044201e-04 -8.07354184e-13 -4.13812131e-04] [-1.77044202e-04 -4.33148309e-13 4.13812131e-04] [ 1.77044202e-04 -6.03281314e-13 -4.13812130e-04] [ 1.77044202e-04 2.86158250e-13 4.13812130e-04] [-1.77044202e-04 -4.13812130e-04 7.03881398e-13] [ 1.77044203e-04 -4.13812129e-04 3.32754657e-13] [-1.77044200e-04 4.13812131e-04 2.53568000e-13] [ 1.77044202e-04 4.13812130e-04 -3.05564601e-13] [-6.66003711e-13 2.30430771e-04 2.30430771e-04] [ 4.19025491e-13 -2.30430772e-04 2.30430770e-04] [-7.88275695e-13 2.30430771e-04 -2.30430771e-04] [-8.39025030e-14 -2.30430771e-04 -2.30430771e-04] [-1.77044202e-04 -1.85568053e-13 -4.13812130e-04] [-1.77044202e-04 -3.85626210e-13 4.13812130e-04] [ 1.77044201e-04 -6.75382493e-13 -4.13812131e-04] [ 1.77044201e-04 -6.50381658e-13 4.13812130e-04] [-1.77044202e-04 -4.13812130e-04 1.49813984e-13] [ 1.77044202e-04 -4.13812130e-04 3.84616899e-13] [-1.77044202e-04 4.13812130e-04 5.21807773e-13] [ 1.77044201e-04 4.13812131e-04 5.97586217e-13]] Final stress: [-6.89954230e-05 2.06644665e-06 2.06644665e-06 1.62946521e-16 1.77910997e-16 4.25656217e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.97691868e-04 5.22932392e-14 -1.25820361e-13] [-1.97691869e-04 2.67563749e-14 -5.64825964e-14] [ 7.11106521e-15 7.65665473e-04 -3.89138268e-05] [ 4.55468996e-14 -7.65665472e-04 3.89138269e-05] [ 2.99664807e-14 -3.74020074e-05 1.99224367e-04] [-4.63240557e-14 3.74020075e-05 -1.99224367e-04] [ 1.97691868e-04 2.73383746e-14 -1.06565541e-13] [-1.97691868e-04 3.48774828e-14 -8.33111520e-14] [ 3.47118168e-15 7.65665473e-04 -3.89138269e-05] [ 5.29407247e-14 -7.65665473e-04 3.89138268e-05] [-1.59668286e-14 -3.74020074e-05 1.99224367e-04] [-1.80896964e-14 3.74020074e-05 -1.99224367e-04] [ 7.02760536e-04 -1.22257290e-04 2.42508053e-04] [ 2.71271658e-04 1.74692446e-04 1.90312250e-04] [ 2.71271658e-04 -1.74692446e-04 -1.90312250e-04] [ 7.02760536e-04 1.22257290e-04 -2.42508053e-04] [-2.71271658e-04 -1.74692445e-04 -1.90312250e-04] [-7.02760536e-04 1.22257290e-04 -2.42508053e-04] [-2.71271658e-04 1.74692446e-04 1.90312251e-04] [-7.02760536e-04 -1.22257290e-04 2.42508053e-04] [ 7.02760536e-04 -1.22257290e-04 2.42508053e-04] [ 2.71271658e-04 1.74692446e-04 1.90312251e-04] [ 2.71271658e-04 -1.74692446e-04 -1.90312250e-04] [ 7.02760536e-04 1.22257290e-04 -2.42508053e-04] [-2.71271658e-04 -1.74692446e-04 -1.90312250e-04] [-7.02760536e-04 1.22257290e-04 -2.42508053e-04] [-2.71271658e-04 1.74692446e-04 1.90312251e-04] [-7.02760536e-04 -1.22257290e-04 2.42508053e-04] [ 1.98452366e-13 -1.12521104e-13 3.35009798e-14] [ 9.45033982e-15 1.21650052e-13 -9.30624725e-14] [-5.51780843e-14 5.36499839e-04 6.77000830e-04] [-6.24951479e-14 6.18775220e-04 -4.79144190e-04] [ 1.18178037e-13 -6.18775220e-04 4.79144190e-04] [-2.91260072e-15 -5.36499839e-04 -6.77000830e-04] [ 3.61823140e-04 3.02537772e-04 3.62032370e-04] [ 3.61823140e-04 -3.02537771e-04 -3.62032370e-04] [-3.61823140e-04 3.02537772e-04 3.62032370e-04] [-3.61823140e-04 -3.02537771e-04 -3.62032370e-04] [ 9.86007296e-05 -4.12581743e-05 3.02582933e-04] [-9.86007300e-05 -4.12581745e-05 3.02582933e-04] [ 9.86007302e-05 4.12581746e-05 -3.02582933e-04] [-9.86007301e-05 4.12581747e-05 -3.02582933e-04] [ 1.07679057e-13 5.36499838e-04 6.77000831e-04] [ 1.89250959e-13 6.18775221e-04 -4.79144189e-04] [ 1.11666752e-13 -6.18775221e-04 4.79144189e-04] [ 1.43298567e-13 -5.36499839e-04 -6.77000830e-04] [ 3.61823141e-04 3.02537771e-04 3.62032370e-04] [ 3.61823141e-04 -3.02537771e-04 -3.62032370e-04] [-3.61823141e-04 3.02537771e-04 3.62032370e-04] [-3.61823141e-04 -3.02537772e-04 -3.62032370e-04] [ 9.86007292e-05 -4.12581740e-05 3.02582934e-04] [-9.86007291e-05 -4.12581739e-05 3.02582934e-04] [ 9.86007292e-05 4.12581738e-05 -3.02582933e-04] [-9.86007291e-05 4.12581736e-05 -3.02582933e-04]] Final stress: [ 2.45186459e-05 -1.88364121e-05 2.45334866e-05 2.56070448e-05 -3.82360299e-17 -1.36319759e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.77556513e-04 -1.14469198e-13 8.91105766e-14] [-3.77556513e-04 -1.55181423e-13 9.87820936e-14] [-1.77385884e-13 1.42347064e-03 -4.99425349e-05] [-3.80251386e-15 -1.42347064e-03 4.99425346e-05] [-1.42815447e-14 -5.18727347e-05 3.81708358e-04] [ 2.98372438e-14 5.18727347e-05 -3.81708359e-04] [ 3.77556513e-04 1.69963869e-14 6.63312719e-14] [-3.77556513e-04 4.83207224e-14 1.26213086e-13] [-4.06424026e-14 1.42347064e-03 -4.99425349e-05] [ 7.97998820e-14 -1.42347064e-03 4.99425346e-05] [-2.24120635e-13 -5.18727351e-05 3.81708358e-04] [-3.63793197e-14 5.18727350e-05 -3.81708358e-04] [-5.79666251e-04 -2.44808132e-04 3.94549515e-04] [-1.37475258e-03 2.32770150e-04 4.04225567e-04] [-1.37475258e-03 -2.32770150e-04 -4.04225567e-04] [-5.79666251e-04 2.44808132e-04 -3.94549515e-04] [ 1.37475258e-03 -2.32770150e-04 -4.04225567e-04] [ 5.79666251e-04 2.44808133e-04 -3.94549516e-04] [ 1.37475258e-03 2.32770150e-04 4.04225567e-04] [ 5.79666251e-04 -2.44808132e-04 3.94549515e-04] [-5.79666251e-04 -2.44808132e-04 3.94549515e-04] [-1.37475258e-03 2.32770150e-04 4.04225567e-04] [-1.37475258e-03 -2.32770149e-04 -4.04225567e-04] [-5.79666250e-04 2.44808132e-04 -3.94549515e-04] [ 1.37475258e-03 -2.32770150e-04 -4.04225567e-04] [ 5.79666251e-04 2.44808132e-04 -3.94549515e-04] [ 1.37475258e-03 2.32770150e-04 4.04225567e-04] [ 5.79666251e-04 -2.44808132e-04 3.94549516e-04] [ 1.88127292e-13 -2.55045984e-13 5.78481707e-13] [-1.74998904e-13 -2.69308331e-13 -2.14611362e-14] [ 2.68896017e-13 -1.18707176e-03 -8.13103187e-04] [ 3.92672006e-14 -9.72694377e-04 1.34671448e-03] [-9.85305587e-14 9.72694377e-04 -1.34671448e-03] [ 3.48471252e-14 1.18707176e-03 8.13103186e-04] [ 6.59508332e-04 -6.45249170e-04 6.60505606e-04] [ 6.59508332e-04 6.45249169e-04 -6.60505607e-04] [-6.59508332e-04 -6.45249170e-04 6.60505606e-04] [-6.59508332e-04 6.45249169e-04 -6.60505607e-04] [ 2.65475671e-04 -1.07537116e-04 -6.42210092e-04] [-2.65475671e-04 -1.07537116e-04 -6.42210092e-04] [ 2.65475671e-04 1.07537116e-04 6.42210092e-04] [-2.65475671e-04 1.07537116e-04 6.42210092e-04] [ 3.23168575e-13 -1.18707176e-03 -8.13103186e-04] [ 8.65709414e-14 -9.72694375e-04 1.34671448e-03] [ 1.71888979e-13 9.72694376e-04 -1.34671448e-03] [ 8.36236462e-14 1.18707176e-03 8.13103186e-04] [ 6.59508333e-04 -6.45249170e-04 6.60505605e-04] [ 6.59508333e-04 6.45249169e-04 -6.60505605e-04] [-6.59508332e-04 -6.45249170e-04 6.60505606e-04] [-6.59508333e-04 6.45249169e-04 -6.60505605e-04] [ 2.65475670e-04 -1.07537115e-04 -6.42210092e-04] [-2.65475670e-04 -1.07537115e-04 -6.42210092e-04] [ 2.65475670e-04 1.07537114e-04 6.42210093e-04] [-2.65475670e-04 1.07537114e-04 6.42210093e-04]] Final stress: [ 2.85751888e-05 -4.05282167e-05 2.86244606e-05 -2.60916253e-05 -4.88756208e-16 -1.82867969e-16] Minimization converged after 65 steps. Minimization converged after 65 steps. Minimization converged after 36 steps. Minimization converged after 38 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.56271740e-04 -9.44251384e-06 -6.30489584e-14] [-2.56271740e-04 9.44251401e-06 -1.37778677e-13] [-1.11869177e-05 9.80431515e-04 4.10270776e-14] [ 1.11869175e-05 -9.80431515e-04 9.24260668e-14] [ 3.59274242e-14 -4.22656701e-14 2.53989184e-04] [ 3.34732242e-14 -4.81559237e-14 -2.53989184e-04] [ 2.56271740e-04 -9.44251397e-06 7.36054312e-14] [-2.56271740e-04 9.44251392e-06 -2.65553682e-14] [-1.11869178e-05 9.80431515e-04 6.64899196e-16] [ 1.11869173e-05 -9.80431515e-04 4.88292018e-14] [-1.84019900e-13 6.64546430e-14 2.53989184e-04] [-7.41147595e-14 2.15499352e-14 -2.53989184e-04] [ 2.95472252e-04 -1.58977781e-04 9.21947256e-04] [-2.95472252e-04 1.58977781e-04 9.21947256e-04] [-2.57699031e-04 -1.97495186e-04 3.70772630e-04] [ 2.57699031e-04 1.97495186e-04 3.70772630e-04] [ 2.95472252e-04 -1.58977781e-04 -9.21947256e-04] [-2.95472252e-04 1.58977781e-04 -9.21947256e-04] [ 2.57699031e-04 1.97495186e-04 -3.70772630e-04] [-2.57699031e-04 -1.97495186e-04 -3.70772630e-04] [ 2.95472252e-04 -1.58977782e-04 9.21947256e-04] [-2.95472252e-04 1.58977781e-04 9.21947256e-04] [-2.57699031e-04 -1.97495186e-04 3.70772630e-04] [ 2.57699031e-04 1.97495186e-04 3.70772630e-04] [ 2.95472252e-04 -1.58977782e-04 -9.21947256e-04] [-2.95472252e-04 1.58977781e-04 -9.21947256e-04] [ 2.57699031e-04 1.97495187e-04 -3.70772630e-04] [-2.57699031e-04 -1.97495186e-04 -3.70772630e-04] [ 1.38195011e-13 -1.88404847e-13 3.31679129e-13] [-2.68188249e-15 1.73000829e-13 -1.82256972e-13] [ 4.15378599e-04 -5.50465738e-05 1.45542784e-04] [-4.15378599e-04 5.50465737e-05 1.45542784e-04] [ 4.15378599e-04 -5.50465744e-05 -1.45542784e-04] [-4.15378599e-04 5.50465745e-05 -1.45542784e-04] [ 4.59093135e-04 4.16017277e-04 4.58687764e-04] [ 4.59093134e-04 4.16017278e-04 -4.58687764e-04] [-4.59093135e-04 -4.16017278e-04 4.58687763e-04] [-4.59093135e-04 -4.16017277e-04 -4.58687763e-04] [ 8.87889970e-04 6.86498261e-04 3.34177130e-14] [ 5.95651149e-04 -7.96241074e-04 7.71067238e-14] [-5.95651150e-04 7.96241073e-04 -1.66908154e-13] [-8.87889971e-04 -6.86498261e-04 -1.59506089e-13] [ 4.15378599e-04 -5.50465745e-05 1.45542784e-04] [-4.15378599e-04 5.50465743e-05 1.45542784e-04] [ 4.15378600e-04 -5.50465742e-05 -1.45542784e-04] [-4.15378599e-04 5.50465747e-05 -1.45542784e-04] [ 4.59093135e-04 4.16017278e-04 4.58687763e-04] [ 4.59093135e-04 4.16017277e-04 -4.58687763e-04] [-4.59093134e-04 -4.16017277e-04 4.58687764e-04] [-4.59093135e-04 -4.16017277e-04 -4.58687763e-04] [ 8.87889970e-04 6.86498261e-04 3.30090785e-13] [ 5.95651150e-04 -7.96241073e-04 3.58087326e-13] [-5.95651150e-04 7.96241074e-04 1.97069730e-13] [-8.87889970e-04 -6.86498262e-04 3.46759947e-13]] Final stress: [ 2.58855966e-05 -2.59677295e-05 2.58619097e-05 -1.37982195e-16 1.01408601e-16 2.57559059e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.43055039e-04 -2.65529829e-05 6.02911818e-14] [-3.43055040e-04 2.65529832e-05 8.78186412e-14] [-2.46264359e-05 1.29028514e-03 5.97937498e-14] [ 2.46264366e-05 -1.29028514e-03 8.05189249e-14] [-6.43408937e-15 2.32009724e-13 3.39507427e-04] [-2.03087547e-13 1.23318022e-13 -3.39507428e-04] [ 3.43055039e-04 -2.65529834e-05 5.44035526e-14] [-3.43055040e-04 2.65529832e-05 -8.42417746e-15] [-2.46264358e-05 1.29028514e-03 -8.52929970e-14] [ 2.46264361e-05 -1.29028514e-03 -4.10267252e-14] [-1.80308893e-13 -4.65429682e-14 3.39507427e-04] [-1.36620749e-13 -3.88026320e-14 -3.39507427e-04] [ 3.52489053e-04 -2.31976835e-04 -5.13007411e-04] [-3.52489053e-04 2.31976835e-04 -5.13007411e-04] [-3.73866157e-04 -2.08763886e-04 -1.23623288e-03] [ 3.73866157e-04 2.08763886e-04 -1.23623288e-03] [ 3.52489054e-04 -2.31976835e-04 5.13007411e-04] [-3.52489053e-04 2.31976835e-04 5.13007411e-04] [ 3.73866157e-04 2.08763886e-04 1.23623288e-03] [-3.73866157e-04 -2.08763886e-04 1.23623288e-03] [ 3.52489053e-04 -2.31976835e-04 -5.13007412e-04] [-3.52489053e-04 2.31976835e-04 -5.13007411e-04] [-3.73866157e-04 -2.08763886e-04 -1.23623288e-03] [ 3.73866157e-04 2.08763886e-04 -1.23623288e-03] [ 3.52489053e-04 -2.31976835e-04 5.13007411e-04] [-3.52489054e-04 2.31976835e-04 5.13007411e-04] [ 3.73866157e-04 2.08763886e-04 1.23623288e-03] [-3.73866157e-04 -2.08763886e-04 1.23623288e-03] [ 5.33462163e-13 2.37199149e-13 3.21187521e-13] [-2.92166031e-13 1.64156403e-13 -1.04154472e-13] [-5.74299318e-04 -9.88673709e-05 2.37752368e-04] [ 5.74299318e-04 9.88673709e-05 2.37752367e-04] [-5.74299317e-04 -9.88673712e-05 -2.37752368e-04] [ 5.74299318e-04 9.88673713e-05 -2.37752368e-04] [ 6.02062745e-04 -5.76494124e-04 6.01261490e-04] [ 6.02062745e-04 -5.76494123e-04 -6.01261491e-04] [-6.02062745e-04 5.76494124e-04 6.01261490e-04] [-6.02062745e-04 5.76494123e-04 -6.01261490e-04] [-7.41366503e-04 -1.07858127e-03 1.39666056e-13] [-1.21901952e-03 8.81414362e-04 -7.13908099e-14] [ 1.21901952e-03 -8.81414361e-04 1.00173342e-13] [ 7.41366504e-04 1.07858127e-03 -9.24624960e-14] [-5.74299317e-04 -9.88673710e-05 2.37752367e-04] [ 5.74299318e-04 9.88673706e-05 2.37752367e-04] [-5.74299317e-04 -9.88673708e-05 -2.37752367e-04] [ 5.74299318e-04 9.88673705e-05 -2.37752367e-04] [ 6.02062744e-04 -5.76494123e-04 6.01261491e-04] [ 6.02062745e-04 -5.76494123e-04 -6.01261491e-04] [-6.02062745e-04 5.76494123e-04 6.01261490e-04] [-6.02062745e-04 5.76494124e-04 -6.01261491e-04] [-7.41366504e-04 -1.07858127e-03 4.34480486e-13] [-1.21901952e-03 8.81414361e-04 2.61064130e-13] [ 1.21901952e-03 -8.81414361e-04 2.57837656e-13] [ 7.41366503e-04 1.07858127e-03 3.65571722e-13]] Final stress: [ 2.77806371e-05 -3.62086587e-05 2.77400530e-05 1.94505022e-16 4.37220690e-16 -2.59179254e-05] Minimization converged after 64 steps. Minimization converged after 64 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.46915970e-03 -1.25620001e-14 2.29044214e-14] [-3.46915970e-03 -9.04831765e-15 -2.13162821e-14] [ 1.51354623e-16 3.46915970e-03 -1.34748983e-14] [ 2.39808173e-14 -3.46915970e-03 -4.24660307e-15] [-2.89664126e-14 -9.90527105e-15 5.06956570e-03] [-2.29538610e-14 -1.58206781e-14 -5.06956570e-03] [ 3.46915970e-03 -2.86094932e-14 -2.65842527e-14] [-3.46915970e-03 5.49243810e-14 -4.55646012e-15] [-3.78221759e-14 3.46915970e-03 -3.75890917e-14] [-1.30754782e-15 -3.46915970e-03 -7.59883275e-14] [ 2.15361583e-14 -3.39905932e-14 5.06956570e-03] [-5.99598496e-14 -2.54711289e-14 -5.06956570e-03] [ 1.26772456e-03 1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 -1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 -1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 1.26772456e-03 8.63117326e-04] [-1.26772456e-03 -1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 -1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 1.26772456e-03 -8.63117326e-04] [ 1.26772456e-03 1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 -1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 -1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 1.26772456e-03 8.63117326e-04] [-1.26772456e-03 -1.26772456e-03 8.63117326e-04] [ 1.26772456e-03 -1.26772456e-03 -8.63117326e-04] [-1.26772456e-03 1.26772456e-03 -8.63117326e-04] [ 1.35835787e-13 -3.08919557e-14 1.40526479e-13] [-5.13417434e-14 -4.21206661e-14 -1.43046753e-13] [-1.38999923e-13 8.89350345e-04 2.18802554e-04] [-1.31247443e-13 -8.89350345e-04 2.18802554e-04] [-9.06774655e-14 8.89350345e-04 -2.18802554e-04] [-1.98781963e-13 -8.89350345e-04 -2.18802554e-04] [ 8.89350346e-04 -7.53841434e-14 2.18802553e-04] [ 8.89350346e-04 -2.92439684e-14 -2.18802553e-04] [-8.89350346e-04 -2.11532181e-14 2.18802553e-04] [-8.89350346e-04 6.43270159e-14 -2.18802553e-04] [ 2.68671450e-03 2.68671450e-03 -8.65973959e-15] [-2.68671450e-03 2.68671450e-03 1.32463485e-14] [ 2.68671450e-03 -2.68671450e-03 -6.26824981e-14] [-2.68671450e-03 -2.68671450e-03 -5.97508154e-14] [ 1.70722377e-13 8.89350346e-04 2.18802553e-04] [ 1.08884689e-13 -8.89350346e-04 2.18802553e-04] [ 1.70940952e-13 8.89350346e-04 -2.18802553e-04] [ 1.51259647e-13 -8.89350346e-04 -2.18802553e-04] [ 8.89350345e-04 -2.25476267e-14 2.18802554e-04] [ 8.89350346e-04 -6.78799465e-14 -2.18802553e-04] [-8.89350345e-04 -2.09216325e-14 2.18802554e-04] [-8.89350345e-04 -2.04857832e-14 -2.18802554e-04] [ 2.68671450e-03 2.68671450e-03 9.62128842e-14] [-2.68671450e-03 2.68671450e-03 6.94073095e-14] [ 2.68671450e-03 -2.68671450e-03 1.17455653e-13] [-2.68671450e-03 -2.68671450e-03 1.66957594e-13]] Final stress: [ 5.90024308e-05 5.90024308e-05 -1.49049331e-04 8.47794210e-17 1.29662644e-16 -1.66234159e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.52999049e-02 -2.35542055e-13 5.33378029e-13] [ 1.52999049e-02 -4.49085213e-14 5.11785059e-13] [ 2.45868863e-13 -1.52999049e-02 1.68822855e-13] [ 1.73361325e-13 1.52999049e-02 2.11108908e-13] [ 1.90053268e-13 -6.43525164e-13 -2.00131871e-02] [ 1.20181642e-13 -6.52172760e-13 2.00131871e-02] [-1.52999049e-02 -6.01560468e-13 -1.43662984e-14] [ 1.52999049e-02 -1.25788269e-13 7.51085737e-14] [ 4.02566435e-13 -1.52999049e-02 -5.04090069e-13] [ 2.84794324e-13 1.52999049e-02 6.84872660e-14] [ 4.39657425e-13 -5.83408536e-14 -2.00131871e-02] [-2.07583950e-13 -3.46656871e-13 2.00131871e-02] [-7.02158652e-03 -7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 -7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 -7.02158652e-03 -6.17364689e-03] [ 7.02158652e-03 7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 -7.02158652e-03 6.17364689e-03] [-7.02158652e-03 -7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 -7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 -7.02158652e-03 -6.17364689e-03] [ 7.02158652e-03 7.02158652e-03 -6.17364689e-03] [-7.02158652e-03 7.02158652e-03 6.17364689e-03] [ 7.02158652e-03 -7.02158652e-03 6.17364689e-03] [-1.24911193e-12 2.63816746e-13 -6.12426776e-13] [-1.38681167e-13 5.23385337e-13 -1.58956583e-12] [ 6.35713704e-13 -3.40724473e-05 -3.14725799e-03] [ 6.51950716e-13 3.40724478e-05 -3.14725799e-03] [ 5.46996476e-13 -3.40724468e-05 3.14725799e-03] [ 1.20492158e-12 3.40724480e-05 3.14725799e-03] [-3.40724476e-05 2.56761279e-12 -3.14725799e-03] [-3.40724487e-05 6.42914541e-13 3.14725799e-03] [ 3.40724485e-05 1.35448076e-12 -3.14725799e-03] [ 3.40724475e-05 -1.47505272e-13 3.14725799e-03] [-1.64506231e-02 -1.64506231e-02 -1.08890674e-12] [ 1.64506231e-02 -1.64506231e-02 2.85264867e-13] [-1.64506231e-02 1.64506231e-02 5.41171274e-13] [ 1.64506231e-02 1.64506231e-02 6.89901261e-13] [ 1.11648234e-12 -3.40724490e-05 -3.14725799e-03] [ 1.12191506e-13 3.40724478e-05 -3.14725799e-03] [ 2.94638012e-13 -3.40724492e-05 3.14725799e-03] [ 1.00267017e-15 3.40724462e-05 3.14725799e-03] [-3.40724480e-05 3.92535680e-14 -3.14725799e-03] [-3.40724481e-05 -1.43822671e-13 3.14725799e-03] [ 3.40724491e-05 3.77622413e-13 -3.14725799e-03] [ 3.40724484e-05 4.28630222e-13 3.14725799e-03] [-1.64506231e-02 -1.64506231e-02 -9.28610415e-13] [ 1.64506231e-02 -1.64506231e-02 -3.22116025e-14] [-1.64506231e-02 1.64506231e-02 -6.71277497e-13] [ 1.64506231e-02 1.64506231e-02 -3.15088233e-13]] Final stress: [-8.12369630e-05 -8.12369630e-05 7.15602717e-04 -1.69597400e-16 1.28195682e-15 -3.15916725e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.71926921e-04 7.61023189e-15 1.38689841e-13] [-3.71926922e-04 -5.44564394e-14 5.09314813e-14] [-1.26498638e-13 3.75991907e-04 4.46717620e-05] [-7.52176099e-14 -3.75991907e-04 -4.46717621e-05] [-1.14936706e-13 4.27356422e-05 1.40386852e-03] [ 1.31561428e-14 -4.27356423e-05 -1.40386853e-03] [ 3.71926922e-04 -1.70271783e-14 2.40062727e-13] [-3.71926921e-04 1.45846876e-14 9.52810317e-14] [-1.56546217e-13 3.75991907e-04 4.46717621e-05] [ 4.78931131e-14 -3.75991907e-04 -4.46717624e-05] [ 1.19154252e-13 4.27356426e-05 1.40386853e-03] [ 1.20889843e-13 -4.27356423e-05 -1.40386853e-03] [ 1.35335817e-03 4.00984565e-04 -2.28123631e-04] [ 5.68061805e-04 -3.87914868e-04 -2.43501720e-04] [ 5.68061804e-04 3.87914868e-04 2.43501720e-04] [ 1.35335817e-03 -4.00984565e-04 2.28123631e-04] [-5.68061804e-04 3.87914869e-04 2.43501720e-04] [-1.35335817e-03 -4.00984565e-04 2.28123632e-04] [-5.68061804e-04 -3.87914868e-04 -2.43501720e-04] [-1.35335817e-03 4.00984565e-04 -2.28123631e-04] [ 1.35335817e-03 4.00984565e-04 -2.28123631e-04] [ 5.68061804e-04 -3.87914868e-04 -2.43501720e-04] [ 5.68061804e-04 3.87914869e-04 2.43501720e-04] [ 1.35335817e-03 -4.00984565e-04 2.28123631e-04] [-5.68061804e-04 3.87914868e-04 2.43501721e-04] [-1.35335817e-03 -4.00984565e-04 2.28123631e-04] [-5.68061804e-04 -3.87914868e-04 -2.43501720e-04] [-1.35335817e-03 4.00984565e-04 -2.28123631e-04] [ 4.44394521e-13 7.27196081e-15 2.22988294e-13] [-3.65932545e-13 -3.86356377e-13 1.24167155e-13] [ 5.76205750e-14 1.33892383e-03 9.51394237e-04] [-7.52314877e-14 7.94096212e-04 -1.18148868e-03] [-2.98955305e-13 -7.94096213e-04 1.18148868e-03] [-1.27970551e-13 -1.33892383e-03 -9.51394238e-04] [ 2.71118893e-04 6.32386849e-04 -1.15383464e-04] [ 2.71118893e-04 -6.32386850e-04 1.15383465e-04] [-2.71118893e-04 6.32386849e-04 -1.15383465e-04] [-2.71118893e-04 -6.32386850e-04 1.15383465e-04] [ 6.52592148e-04 6.53565755e-04 6.35306413e-04] [-6.52592148e-04 6.53565755e-04 6.35306414e-04] [ 6.52592148e-04 -6.53565756e-04 -6.35306414e-04] [-6.52592148e-04 -6.53565755e-04 -6.35306413e-04] [ 2.71662033e-13 1.33892383e-03 9.51394238e-04] [ 2.15915827e-13 7.94096214e-04 -1.18148867e-03] [ 1.53273227e-13 -7.94096214e-04 1.18148867e-03] [ 1.03803684e-13 -1.33892383e-03 -9.51394239e-04] [ 2.71118894e-04 6.32386849e-04 -1.15383466e-04] [ 2.71118894e-04 -6.32386849e-04 1.15383466e-04] [-2.71118893e-04 6.32386849e-04 -1.15383465e-04] [-2.71118894e-04 -6.32386849e-04 1.15383466e-04] [ 6.52592147e-04 6.53565757e-04 6.35306414e-04] [-6.52592147e-04 6.53565756e-04 6.35306414e-04] [ 6.52592147e-04 -6.53565756e-04 -6.35306414e-04] [-6.52592147e-04 -6.53565756e-04 -6.35306414e-04]] Final stress: [ 2.84324530e-05 2.84804458e-05 -3.99155777e-05 2.60284154e-05 3.15862856e-16 -2.64327337e-16] Minimization converged after 50 steps. Minimization converged after 65 steps. Minimization converged after 65 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.10106385e-04 -1.02045108e-15 -3.35394929e-05] [-2.10106385e-04 -1.02529096e-13 3.35394929e-05] [-1.23837572e-14 2.08278500e-04 -8.09083703e-14] [ 4.34652314e-14 -2.08278500e-04 -4.08839629e-14] [-3.51555955e-05 9.33367966e-15 8.46927382e-04] [ 3.51555957e-05 -5.17919041e-14 -8.46927382e-04] [ 2.10106385e-04 -6.91066128e-14 -3.35394929e-05] [-2.10106385e-04 6.67521594e-15 3.35394929e-05] [ 1.06976927e-13 2.08278500e-04 4.69454097e-14] [ 3.85108612e-14 -2.08278500e-04 4.25377627e-14] [-3.51555957e-05 -2.74620187e-14 8.46927382e-04] [ 3.51555957e-05 -1.62402136e-13 -8.46927382e-04] [ 2.63111680e-04 7.83618264e-04 -1.36160698e-04] [-2.19646571e-04 3.02449757e-04 -1.80070067e-04] [-2.63111680e-04 7.83618264e-04 1.36160698e-04] [ 2.19646571e-04 3.02449757e-04 1.80070067e-04] [ 2.19646571e-04 -3.02449757e-04 1.80070067e-04] [-2.63111680e-04 -7.83618264e-04 1.36160698e-04] [ 2.63111679e-04 -7.83618264e-04 -1.36160698e-04] [-2.19646571e-04 -3.02449757e-04 -1.80070067e-04] [ 2.63111679e-04 7.83618264e-04 -1.36160698e-04] [-2.19646571e-04 3.02449757e-04 -1.80070067e-04] [-2.63111679e-04 7.83618264e-04 1.36160698e-04] [ 2.19646570e-04 3.02449757e-04 1.80070067e-04] [ 2.19646570e-04 -3.02449757e-04 1.80070067e-04] [-2.63111680e-04 -7.83618264e-04 1.36160698e-04] [ 2.63111679e-04 -7.83618264e-04 -1.36160698e-04] [-2.19646571e-04 -3.02449757e-04 -1.80070067e-04] [ 4.05592226e-13 3.09752224e-14 -5.43176615e-14] [-1.49179714e-13 -7.37206554e-14 1.82430209e-13] [ 3.56118905e-04 1.20123403e-04 -4.40985531e-05] [ 3.56118905e-04 -1.20123403e-04 -4.40985533e-05] [-3.56118905e-04 1.20123403e-04 4.40985530e-05] [-3.56118905e-04 -1.20123403e-04 4.40985530e-05] [ 7.60197300e-04 -2.97872838e-13 5.95249699e-04] [-5.19118490e-04 -1.33573708e-16 6.83171624e-04] [ 5.19118490e-04 -1.01694694e-13 -6.83171625e-04] [-7.60197300e-04 -6.79144241e-14 -5.95249698e-04] [ 4.02493224e-04 4.02212683e-04 3.56308591e-04] [-4.02493224e-04 4.02212683e-04 -3.56308591e-04] [ 4.02493223e-04 -4.02212684e-04 3.56308591e-04] [-4.02493223e-04 -4.02212683e-04 -3.56308591e-04] [ 3.56118905e-04 1.20123404e-04 -4.40985541e-05] [ 3.56118905e-04 -1.20123404e-04 -4.40985538e-05] [-3.56118905e-04 1.20123404e-04 4.40985538e-05] [-3.56118904e-04 -1.20123403e-04 4.40985534e-05] [ 7.60197299e-04 2.35003107e-14 5.95249699e-04] [-5.19118491e-04 9.03255335e-14 6.83171624e-04] [ 5.19118491e-04 7.42713183e-14 -6.83171623e-04] [-7.60197299e-04 1.49911767e-13 -5.95249699e-04] [ 4.02493224e-04 4.02212682e-04 3.56308591e-04] [-4.02493224e-04 4.02212683e-04 -3.56308591e-04] [ 4.02493225e-04 -4.02212682e-04 3.56308591e-04] [-4.02493224e-04 -4.02212683e-04 -3.56308591e-04]] Final stress: [ 2.50225627e-05 2.50046126e-05 -2.17463866e-05 1.26345142e-16 2.55967453e-05 -4.65482103e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.22589595e-04 5.23877816e-14 -7.84680195e-05] [-4.22589595e-04 6.16728890e-14 7.84680197e-05] [-9.15417915e-14 4.17778480e-04 8.47403744e-14] [-2.42944553e-13 -4.17778479e-04 8.58757510e-14] [-7.65754990e-05 3.45990597e-15 1.55979458e-03] [ 7.65754988e-05 -5.16808818e-14 -1.55979458e-03] [ 4.22589596e-04 -1.77960945e-14 -7.84680200e-05] [-4.22589596e-04 8.12778664e-14 7.84680198e-05] [ 1.92831862e-14 4.17778480e-04 6.94855818e-14] [-1.21034259e-13 -4.17778479e-04 -1.12109319e-13] [-7.65754992e-05 4.23510602e-14 1.55979458e-03] [ 7.65754991e-05 2.29939938e-14 -1.55979458e-03] [ 4.37352857e-04 -6.48653160e-04 -2.57940537e-04] [-4.35224546e-04 -1.51692687e-03 -2.57106488e-04] [-4.37352857e-04 -6.48653160e-04 2.57940537e-04] [ 4.35224546e-04 -1.51692687e-03 2.57106488e-04] [ 4.35224546e-04 1.51692687e-03 2.57106488e-04] [-4.37352857e-04 6.48653160e-04 2.57940537e-04] [ 4.37352857e-04 6.48653160e-04 -2.57940537e-04] [-4.35224546e-04 1.51692687e-03 -2.57106488e-04] [ 4.37352858e-04 -6.48653159e-04 -2.57940537e-04] [-4.35224546e-04 -1.51692687e-03 -2.57106488e-04] [-4.37352857e-04 -6.48653159e-04 2.57940537e-04] [ 4.35224547e-04 -1.51692687e-03 2.57106488e-04] [ 4.35224547e-04 1.51692687e-03 2.57106488e-04] [-4.37352857e-04 6.48653160e-04 2.57940537e-04] [ 4.37352857e-04 6.48653161e-04 -2.57940537e-04] [-4.35224546e-04 1.51692687e-03 -2.57106488e-04] [-3.69149156e-15 -2.42278420e-13 3.36342065e-13] [-1.74716144e-13 -1.25826156e-13 5.45710297e-14] [-7.10983193e-04 2.99552500e-04 -1.22465972e-04] [-7.10983193e-04 -2.99552500e-04 -1.22465972e-04] [ 7.10983192e-04 2.99552500e-04 1.22465972e-04] [ 7.10983193e-04 -2.99552500e-04 1.22465972e-04] [-8.81059982e-04 -9.23705556e-14 -1.30445682e-03] [ 1.48341067e-03 2.53122176e-13 -1.06037024e-03] [-1.48341068e-03 -4.08961059e-13 1.06037024e-03] [ 8.81059981e-04 -2.02326003e-13 1.30445682e-03] [ 7.20685967e-04 7.19464881e-04 -7.15003454e-04] [-7.20685968e-04 7.19464881e-04 7.15003454e-04] [ 7.20685968e-04 -7.19464881e-04 -7.15003455e-04] [-7.20685968e-04 -7.19464881e-04 7.15003455e-04] [-7.10983193e-04 2.99552501e-04 -1.22465973e-04] [-7.10983193e-04 -2.99552501e-04 -1.22465973e-04] [ 7.10983193e-04 2.99552501e-04 1.22465973e-04] [ 7.10983193e-04 -2.99552501e-04 1.22465972e-04] [-8.81059982e-04 -3.68244889e-14 -1.30445682e-03] [ 1.48341067e-03 -2.42129016e-13 -1.06037024e-03] [-1.48341067e-03 -6.85059648e-14 1.06037024e-03] [ 8.81059982e-04 -2.22194659e-13 1.30445682e-03] [ 7.20685968e-04 7.19464880e-04 -7.15003454e-04] [-7.20685968e-04 7.19464881e-04 7.15003454e-04] [ 7.20685969e-04 -7.19464879e-04 -7.15003454e-04] [-7.20685968e-04 -7.19464882e-04 7.15003455e-04]] Final stress: [ 2.94783164e-05 2.94191902e-05 -4.49244170e-05 3.27499908e-16 -2.62751307e-05 2.39390796e-16] Minimization converged after 65 steps. Minimization converged after 64 steps. Minimization converged after 37 steps. Minimization converged after 36 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-9.79255550e-03 -2.79474794e-13 4.08024309e-14] [ 9.79255550e-03 -2.71616063e-13 -9.84490267e-14] [ 1.29890456e-13 -6.61034782e-03 -7.54335830e-14] [ 2.00950367e-14 6.61034782e-03 1.69170233e-13] [ 3.10398408e-14 -2.84288218e-13 -6.61034782e-03] [-5.97855099e-14 -2.32897035e-13 6.61034782e-03] [-9.79255550e-03 -4.70846452e-13 2.67130200e-13] [ 9.79255550e-03 -1.63381895e-13 8.86901425e-14] [ 8.20767065e-14 -6.61034782e-03 2.24967749e-13] [-9.31312319e-14 6.61034782e-03 -1.06468347e-15] [-1.78407636e-13 -2.48644403e-13 -6.61034782e-03] [-1.96336003e-13 -4.16284348e-13 6.61034782e-03] [ 2.13749391e-03 -3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 -3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 -3.19551253e-03 3.19551253e-03] [-2.13749391e-03 3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 -3.19551253e-03 -3.19551253e-03] [ 2.13749391e-03 -3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 -3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 -3.19551253e-03 3.19551253e-03] [-2.13749391e-03 3.19551253e-03 3.19551253e-03] [ 2.13749391e-03 3.19551253e-03 -3.19551253e-03] [-2.13749391e-03 -3.19551253e-03 -3.19551253e-03] [-2.09138262e-13 -3.64652752e-13 -4.28546088e-13] [ 4.94647726e-13 2.19612191e-13 -4.32353648e-13] [-1.23789867e-13 -7.19971422e-03 -7.19971422e-03] [ 2.63993688e-13 7.19971422e-03 -7.19971422e-03] [ 1.95100880e-13 -7.19971422e-03 7.19971422e-03] [-1.82926591e-14 7.19971422e-03 7.19971423e-03] [-1.88370349e-03 -1.98507877e-13 -1.08542850e-03] [-1.88370349e-03 -1.70353315e-13 1.08542850e-03] [ 1.88370349e-03 4.68410033e-14 -1.08542850e-03] [ 1.88370349e-03 -1.38677264e-13 1.08542850e-03] [-1.88370349e-03 -1.08542850e-03 -1.76525461e-13] [ 1.88370349e-03 -1.08542850e-03 -3.99350691e-14] [-1.88370349e-03 1.08542850e-03 -2.22721147e-13] [ 1.88370349e-03 1.08542850e-03 -6.41379311e-14] [-1.11779943e-13 -7.19971422e-03 -7.19971422e-03] [ 1.96829532e-13 7.19971422e-03 -7.19971422e-03] [ 6.08024915e-14 -7.19971422e-03 7.19971422e-03] [-3.88408923e-14 7.19971422e-03 7.19971422e-03] [-1.88370349e-03 5.49459476e-13 -1.08542850e-03] [-1.88370349e-03 -2.45761744e-13 1.08542850e-03] [ 1.88370349e-03 6.81629666e-13 -1.08542850e-03] [ 1.88370349e-03 2.12542223e-13 1.08542850e-03] [-1.88370349e-03 -1.08542850e-03 -2.26449331e-13] [ 1.88370349e-03 -1.08542850e-03 -3.82779047e-13] [-1.88370349e-03 1.08542850e-03 -6.69424985e-13] [ 1.88370349e-03 1.08542850e-03 -9.84646392e-14]] Final stress: [ 3.65009393e-04 -4.54360139e-05 -4.54360139e-05 2.71011740e-16 4.32288666e-16 5.40360832e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 6.96201331e-04 3.55358104e-14 -1.58540715e-14] [-6.96201331e-04 1.87627691e-14 -2.01227923e-14] [-1.59808798e-13 6.96201331e-04 -4.13767111e-13] [-3.53883589e-14 -6.96201332e-04 -8.54871729e-14] [-1.50714077e-13 -9.63916447e-14 5.67177909e-05] [-1.29757316e-13 -3.36619621e-13 -5.67177915e-05] [ 6.96201331e-04 -7.90830075e-14 -1.52496133e-13] [-6.96201331e-04 -1.37328517e-13 -6.06220402e-14] [ 1.06168980e-13 6.96201331e-04 5.41045724e-14] [-1.12014131e-13 -6.96201331e-04 -7.71097572e-14] [-3.66030990e-14 -1.87974185e-14 5.67177912e-05] [ 5.78382828e-14 3.49719352e-14 -5.67177909e-05] [ 5.74890061e-05 5.74890060e-05 3.62660571e-04] [-5.74890059e-05 -5.74890060e-05 3.62660571e-04] [-5.74890061e-05 5.74890063e-05 -3.62660571e-04] [ 5.74890062e-05 -5.74890058e-05 -3.62660571e-04] [ 5.74890062e-05 5.74890057e-05 -3.62660571e-04] [-5.74890060e-05 -5.74890054e-05 -3.62660571e-04] [ 5.74890061e-05 -5.74890059e-05 3.62660571e-04] [-5.74890060e-05 5.74890062e-05 3.62660571e-04] [ 5.74890064e-05 5.74890061e-05 3.62660571e-04] [-5.74890057e-05 -5.74890054e-05 3.62660572e-04] [-5.74890058e-05 5.74890063e-05 -3.62660571e-04] [ 5.74890064e-05 -5.74890059e-05 -3.62660571e-04] [ 5.74890065e-05 5.74890064e-05 -3.62660571e-04] [-5.74890059e-05 -5.74890059e-05 -3.62660571e-04] [ 5.74890063e-05 -5.74890057e-05 3.62660572e-04] [-5.74890058e-05 5.74890062e-05 3.62660571e-04] [-5.54334356e-13 2.00311989e-13 2.22016849e-13] [ 7.37548043e-14 -1.55807604e-13 -3.57823031e-13] [-1.00153219e-12 2.44456442e-04 1.51647699e-04] [-6.78561374e-13 -2.44456442e-04 1.51647699e-04] [-7.44935363e-13 2.44456442e-04 -1.51647700e-04] [-2.38946016e-13 -2.44456442e-04 -1.51647700e-04] [ 2.44456441e-04 -1.98396855e-13 1.51647700e-04] [ 2.44456440e-04 -2.07554460e-13 -1.51647701e-04] [-2.44456441e-04 -4.58529048e-13 1.51647700e-04] [-2.44456441e-04 -1.77767523e-13 -1.51647701e-04] [-2.78480262e-05 -2.78480262e-05 -3.74367204e-13] [ 2.78480252e-05 -2.78480266e-05 -4.76776604e-13] [-2.78480259e-05 2.78480258e-05 -1.50992066e-13] [ 2.78480248e-05 2.78480265e-05 -8.85952769e-13] [ 2.18074257e-13 2.44456440e-04 1.51647701e-04] [ 1.52741968e-13 -2.44456440e-04 1.51647701e-04] [-1.19791330e-14 2.44456441e-04 -1.51647700e-04] [ 4.29387428e-14 -2.44456442e-04 -1.51647700e-04] [ 2.44456442e-04 1.72018379e-14 1.51647700e-04] [ 2.44456443e-04 5.64676344e-14 -1.51647698e-04] [-2.44456441e-04 1.55542246e-13 1.51647701e-04] [-2.44456441e-04 -1.09615008e-13 -1.51647700e-04] [-2.78480263e-05 -2.78480253e-05 2.01201388e-13] [ 2.78480266e-05 -2.78480251e-05 2.83555789e-13] [-2.78480258e-05 2.78480261e-05 1.96478772e-13] [ 2.78480264e-05 2.78480246e-05 5.44306353e-13]] Final stress: [ 1.55654797e-06 1.55654797e-06 3.70104929e-05 1.82865370e-16 -2.64323580e-16 4.42201712e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.20286955e-02 -3.18065062e-12 5.46875956e-12] [-6.20286955e-02 -2.41848208e-12 4.44469461e-12] [ 4.31787288e-12 -5.58010603e-02 3.63443216e-12] [ 6.02365380e-12 5.58010603e-02 3.23391314e-12] [ 5.64579373e-12 -2.61754507e-12 1.25293666e-03] [ 5.85131943e-12 -2.24564811e-12 -1.25293666e-03] [ 6.20286955e-02 -3.15154153e-13 -2.52484196e-12] [-6.20286955e-02 -1.44901235e-12 -7.62649397e-13] [-1.66419179e-12 -5.58010602e-02 -2.80851327e-12] [ 3.21125505e-13 5.58010602e-02 -2.45217086e-14] [ 1.87015811e-12 2.11191565e-12 1.25293665e-03] [-1.21252747e-12 -7.68457251e-13 -1.25293665e-03] [ 7.73427527e-03 -7.15361433e-03 -9.22586527e-04] [-7.73427527e-03 7.15361432e-03 -9.22586525e-04] [-7.73427527e-03 -7.15361433e-03 9.22586530e-04] [ 7.73427527e-03 7.15361432e-03 9.22586527e-04] [ 7.73427527e-03 -7.15361433e-03 9.22586527e-04] [-7.73427527e-03 7.15361432e-03 9.22586526e-04] [ 7.73427527e-03 7.15361432e-03 -9.22586526e-04] [-7.73427527e-03 -7.15361432e-03 -9.22586530e-04] [ 7.73427527e-03 -7.15361432e-03 -9.22586530e-04] [-7.73427527e-03 7.15361433e-03 -9.22586534e-04] [-7.73427528e-03 -7.15361432e-03 9.22586524e-04] [ 7.73427526e-03 7.15361433e-03 9.22586524e-04] [ 7.73427526e-03 -7.15361432e-03 9.22586522e-04] [-7.73427527e-03 7.15361433e-03 9.22586520e-04] [ 7.73427526e-03 7.15361433e-03 -9.22586533e-04] [-7.73427528e-03 -7.15361432e-03 -9.22586532e-04] [ 7.98369704e-12 -1.17881538e-11 8.66109962e-12] [ 9.24399446e-13 5.13172347e-12 -2.53381475e-13] [ 3.68771680e-12 6.50873794e-03 -1.88082409e-03] [ 6.82829140e-12 -6.50873793e-03 -1.88082409e-03] [-2.72816492e-13 6.50873794e-03 1.88082410e-03] [ 3.33847013e-12 -6.50873792e-03 1.88082409e-03] [-1.00863581e-03 8.98836561e-13 7.59165265e-03] [-1.00863581e-03 -3.21349891e-12 -7.59165265e-03] [ 1.00863580e-03 -3.29552358e-12 7.59165264e-03] [ 1.00863581e-03 -1.19522638e-11 -7.59165264e-03] [-8.61899648e-03 8.12151536e-03 -9.21374088e-13] [ 8.61899649e-03 8.12151536e-03 2.27933124e-12] [-8.61899648e-03 -8.12151536e-03 -9.51792464e-13] [ 8.61899649e-03 -8.12151536e-03 9.70595132e-12] [-3.35518332e-12 6.50873792e-03 -1.88082408e-03] [-5.24415971e-12 -6.50873792e-03 -1.88082408e-03] [ 4.54854817e-12 6.50873793e-03 1.88082408e-03] [ 2.98922952e-12 -6.50873792e-03 1.88082408e-03] [-1.00863580e-03 -8.06112843e-12 7.59165264e-03] [-1.00863580e-03 -7.89630947e-14 -7.59165264e-03] [ 1.00863580e-03 -8.38884214e-12 7.59165264e-03] [ 1.00863579e-03 -5.15567667e-12 -7.59165264e-03] [-8.61899649e-03 8.12151536e-03 6.49498684e-12] [ 8.61899648e-03 8.12151536e-03 2.05455201e-12] [-8.61899649e-03 -8.12151536e-03 -1.37236839e-12] [ 8.61899649e-03 -8.12151537e-03 -5.10145528e-12]] Final stress: [-5.44111024e-04 4.38901397e-04 -3.15616150e-05 4.95434112e-16 4.22282767e-16 -1.18205924e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.58013792e-02 -1.96619153e-12 3.91195670e-12] [ 5.58013792e-02 8.93313201e-13 3.27501914e-12] [ 6.34547449e-12 6.20290636e-02 2.79280201e-12] [ 5.89581162e-12 -6.20290636e-02 4.18742818e-12] [ 5.94516190e-12 7.41572602e-14 1.25294330e-03] [ 6.53252452e-12 9.60315161e-13 -1.25294330e-03] [-5.58013792e-02 -1.36816686e-12 -1.48480803e-12] [ 5.58013792e-02 -9.40053157e-13 -2.51341594e-12] [-2.43262485e-12 6.20290636e-02 -6.30535979e-13] [-8.97616616e-13 -6.20290636e-02 -9.05624032e-13] [ 1.10811707e-12 3.58227316e-14 1.25294329e-03] [-1.79551426e-12 -1.80076170e-12 -1.25294329e-03] [-7.15365476e-03 7.73432366e-03 -9.22596285e-04] [ 7.15365476e-03 -7.73432366e-03 -9.22596286e-04] [ 7.15365476e-03 7.73432366e-03 9.22596286e-04] [-7.15365476e-03 -7.73432366e-03 9.22596285e-04] [-7.15365476e-03 7.73432366e-03 9.22596283e-04] [ 7.15365476e-03 -7.73432366e-03 9.22596284e-04] [-7.15365476e-03 -7.73432366e-03 -9.22596284e-04] [ 7.15365476e-03 7.73432366e-03 -9.22596285e-04] [-7.15365476e-03 7.73432366e-03 -9.22596288e-04] [ 7.15365475e-03 -7.73432366e-03 -9.22596291e-04] [ 7.15365475e-03 7.73432366e-03 9.22596280e-04] [-7.15365476e-03 -7.73432366e-03 9.22596281e-04] [-7.15365476e-03 7.73432366e-03 9.22596279e-04] [ 7.15365476e-03 -7.73432366e-03 9.22596280e-04] [-7.15365476e-03 -7.73432366e-03 -9.22596290e-04] [ 7.15365475e-03 7.73432366e-03 -9.22596289e-04] [ 3.71322417e-12 -6.64013289e-12 6.58587074e-12] [-2.44720780e-12 4.94296118e-13 -6.87192799e-13] [ 1.57485136e-12 -1.00855884e-03 7.59166948e-03] [ 5.52937557e-12 1.00855884e-03 7.59166948e-03] [ 6.37922527e-12 -1.00855884e-03 -7.59166948e-03] [ 6.75988605e-12 1.00855886e-03 -7.59166949e-03] [ 6.50872942e-03 -2.21800356e-12 -1.88077817e-03] [ 6.50872941e-03 -4.55574641e-12 1.88077818e-03] [-6.50872942e-03 -5.42633646e-12 -1.88077819e-03] [-6.50872941e-03 -5.29667456e-12 1.88077818e-03] [ 8.12145785e-03 -8.61893716e-03 1.62070357e-12] [-8.12145785e-03 -8.61893716e-03 -1.07073204e-12] [ 8.12145785e-03 8.61893716e-03 1.00341783e-12] [-8.12145785e-03 8.61893717e-03 6.55625380e-12] [-1.86500208e-12 -1.00855885e-03 7.59166949e-03] [-1.16320105e-12 1.00855886e-03 7.59166950e-03] [ 5.28012052e-12 -1.00855885e-03 -7.59166949e-03] [ 3.00865236e-13 1.00855885e-03 -7.59166949e-03] [ 6.50872942e-03 -7.19332998e-12 -1.88077818e-03] [ 6.50872942e-03 1.37705949e-12 1.88077819e-03] [-6.50872942e-03 -3.58716572e-12 -1.88077819e-03] [-6.50872942e-03 -5.77997719e-13 1.88077819e-03] [ 8.12145785e-03 -8.61893716e-03 7.35420348e-12] [-8.12145785e-03 -8.61893716e-03 3.59304762e-12] [ 8.12145784e-03 8.61893717e-03 -2.11134205e-12] [-8.12145785e-03 8.61893716e-03 -6.10075358e-13]] Final stress: [ 4.38903434e-04 -5.44114317e-04 -3.15620148e-05 -9.54292551e-16 3.70411813e-15 -3.02248059e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-8.29854052e-04 1.50243099e-13 -1.93752132e-13] [ 8.29854053e-04 3.62154751e-13 7.46624984e-15] [ 1.74965945e-13 -8.29854052e-04 -1.36804196e-13] [ 1.32199807e-13 8.29854053e-04 -2.06529238e-13] [ 5.32716232e-14 3.45803681e-13 -9.49640885e-06] [ 4.08839629e-14 2.55212518e-13 9.49640878e-06] [-8.29854053e-04 3.99246608e-15 -3.80340544e-14] [ 8.29854053e-04 -1.97294004e-13 -1.48998634e-13] [-5.50874450e-14 -8.29854054e-04 1.26256599e-13] [-3.06031242e-14 8.29854053e-04 -2.21404834e-14] [-1.32139959e-13 -8.28720322e-14 -9.49640855e-06] [ 5.53285716e-14 7.88176849e-14 9.49640919e-06] [-8.04327352e-05 -8.04327351e-05 -4.48213809e-04] [ 8.04327355e-05 8.04327354e-05 -4.48213809e-04] [ 8.04327353e-05 -8.04327357e-05 4.48213809e-04] [-8.04327355e-05 8.04327362e-05 4.48213809e-04] [-8.04327353e-05 -8.04327352e-05 4.48213809e-04] [ 8.04327355e-05 8.04327362e-05 4.48213809e-04] [-8.04327353e-05 8.04327355e-05 -4.48213809e-04] [ 8.04327353e-05 -8.04327355e-05 -4.48213809e-04] [-8.04327360e-05 -8.04327360e-05 -4.48213809e-04] [ 8.04327355e-05 8.04327355e-05 -4.48213809e-04] [ 8.04327349e-05 -8.04327359e-05 4.48213809e-04] [-8.04327361e-05 8.04327353e-05 4.48213809e-04] [-8.04327359e-05 -8.04327359e-05 4.48213809e-04] [ 8.04327351e-05 8.04327354e-05 4.48213809e-04] [-8.04327363e-05 8.04327353e-05 -4.48213809e-04] [ 8.04327353e-05 -8.04327361e-05 -4.48213809e-04] [ 2.86354274e-13 -1.20375931e-13 5.04041253e-13] [-1.50407464e-13 -1.86651798e-13 -4.60261064e-13] [-3.73812092e-13 -2.77067481e-04 -1.87757915e-04] [-2.46705434e-13 2.77067481e-04 -1.87757915e-04] [ 1.74998904e-14 -2.77067481e-04 1.87757915e-04] [-1.84297022e-13 2.77067482e-04 1.87757915e-04] [-2.77067482e-04 1.39777079e-13 -1.87757913e-04] [-2.77067483e-04 2.72847717e-13 1.87757913e-04] [ 2.77067482e-04 3.40691017e-13 -1.87757915e-04] [ 2.77067482e-04 4.79911250e-13 1.87757915e-04] [ 4.97106789e-05 4.97106792e-05 2.96096481e-13] [-4.97106789e-05 4.97106789e-05 -1.68504100e-13] [ 4.97106792e-05 -4.97106790e-05 -4.72070300e-14] [-4.97106786e-05 -4.97106793e-05 -4.49596957e-13] [ 2.65131233e-13 -2.77067482e-04 -1.87757915e-04] [ 3.12017339e-13 2.77067482e-04 -1.87757915e-04] [-1.85844829e-13 -2.77067481e-04 1.87757915e-04] [-1.83739308e-13 2.77067482e-04 1.87757914e-04] [-2.77067482e-04 -5.54391710e-14 -1.87757914e-04] [-2.77067482e-04 -2.47748653e-13 1.87757915e-04] [ 2.77067482e-04 -1.24202731e-13 -1.87757915e-04] [ 2.77067482e-04 -2.86242818e-13 1.87757915e-04] [ 4.97106788e-05 4.97106785e-05 3.91680846e-14] [-4.97106771e-05 4.97106803e-05 2.84431875e-13] [ 4.97106784e-05 -4.97106796e-05 1.42003352e-13] [-4.97106770e-05 -4.97106808e-05 5.46379782e-13]] Final stress: [ 1.13651066e-06 1.13651066e-06 -4.03118356e-05 2.97614119e-16 -5.25396993e-16 -9.31083278e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 6.89512862e-04 2.45165867e-13 -1.22464539e-13] [-6.89512862e-04 1.42386103e-14 1.71807013e-14] [ 4.21281933e-14 5.17338123e-05 2.93627969e-14] [-1.97897254e-14 -5.17338133e-05 -2.28983499e-14] [-1.65489150e-13 -2.98368101e-14 6.89512862e-04] [-1.09856568e-13 -2.78749246e-13 -6.89512862e-04] [ 6.89512862e-04 2.56697441e-13 -7.65014732e-15] [-6.89512862e-04 2.51023594e-13 -2.15974845e-14] [ 1.27773226e-13 5.17338135e-05 7.32839843e-14] [ 3.40738722e-14 -5.17338127e-05 8.79639821e-14] [ 3.47998540e-14 1.30524699e-13 6.89512862e-04] [ 5.41598016e-14 2.65072946e-13 -6.89512862e-04] [ 5.71914018e-05 3.60545924e-04 5.71914017e-05] [-5.71914019e-05 -3.60545924e-04 5.71914016e-05] [-5.71914019e-05 3.60545924e-04 -5.71914018e-05] [ 5.71914020e-05 -3.60545924e-04 -5.71914017e-05] [ 5.71914019e-05 3.60545924e-04 -5.71914021e-05] [-5.71914019e-05 -3.60545924e-04 -5.71914016e-05] [ 5.71914020e-05 -3.60545924e-04 5.71914017e-05] [-5.71914019e-05 3.60545924e-04 5.71914017e-05] [ 5.71914017e-05 3.60545924e-04 5.71914014e-05] [-5.71914021e-05 -3.60545924e-04 5.71914028e-05] [-5.71914019e-05 3.60545924e-04 -5.71914018e-05] [ 5.71914028e-05 -3.60545924e-04 -5.71914022e-05] [ 5.71914015e-05 3.60545924e-04 -5.71914020e-05] [-5.71914017e-05 -3.60545924e-04 -5.71914017e-05] [ 5.71914018e-05 -3.60545924e-04 5.71914018e-05] [-5.71914019e-05 3.60545924e-04 5.71914014e-05] [-2.36116682e-13 6.31245056e-13 9.01778652e-14] [ 3.85629029e-15 2.97312532e-14 2.90133249e-13] [ 8.60422844e-14 1.50203043e-04 2.41497610e-04] [-2.88871357e-13 -1.50203044e-04 2.41497609e-04] [ 1.76266987e-13 1.50203043e-04 -2.41497609e-04] [-4.70819564e-13 -1.50203045e-04 -2.41497608e-04] [-2.85483139e-05 -1.13309362e-12 -2.85483149e-05] [-2.85483153e-05 -8.18777338e-13 2.85483141e-05] [ 2.85483136e-05 -1.01857758e-12 -2.85483157e-05] [ 2.85483141e-05 -2.44153656e-13 2.85483150e-05] [ 2.41497608e-04 1.50203044e-04 6.08291195e-13] [-2.41497608e-04 1.50203044e-04 5.93922481e-13] [ 2.41497609e-04 -1.50203044e-04 -6.88182150e-14] [-2.41497609e-04 -1.50203045e-04 -1.22657093e-13] [ 2.66702025e-13 1.50203044e-04 2.41497609e-04] [ 2.80271466e-13 -1.50203045e-04 2.41497609e-04] [ 2.03786640e-14 1.50203045e-04 -2.41497608e-04] [ 1.80100292e-13 -1.50203045e-04 -2.41497609e-04] [-2.85483139e-05 2.11967080e-13 -2.85483147e-05] [-2.85483153e-05 2.52269343e-13 2.85483135e-05] [ 2.85483137e-05 3.10229273e-14 -2.85483147e-05] [ 2.85483151e-05 2.02791776e-13 2.85483139e-05] [ 2.41497609e-04 1.50203044e-04 2.26813823e-14] [-2.41497608e-04 1.50203045e-04 1.00080802e-13] [ 2.41497610e-04 -1.50203043e-04 3.70305017e-14] [-2.41497610e-04 -1.50203043e-04 2.12304133e-13]] Final stress: [1.66825870e-06 3.69629156e-05 1.66825870e-06 4.60488249e-16 6.15092607e-17 7.51410428e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.20301709e-02 -4.10546076e-12 1.97594502e-12] [-6.20301709e-02 -1.48242529e-12 4.32820446e-12] [ 5.95579835e-12 1.25296328e-03 4.62529537e-12] [ 3.53767016e-12 -1.25296328e-03 5.10147480e-12] [ 4.52488524e-12 -1.57448707e-13 -5.58023387e-02] [ 5.41380829e-12 -8.12100387e-13 5.58023387e-02] [ 6.20301709e-02 -8.87583843e-13 -3.71159458e-13] [-6.20301709e-02 -8.39811727e-13 -6.75456885e-13] [-2.64188975e-12 1.25296329e-03 -1.20683164e-12] [ 8.84529429e-13 -1.25296328e-03 -3.03089024e-12] [ 1.67396479e-12 -1.86441975e-12 -5.58023387e-02] [-9.48029849e-13 9.12023992e-14 5.58023387e-02] [ 7.73446925e-03 -9.22625641e-04 -7.15377640e-03] [-7.73446925e-03 9.22625644e-04 -7.15377640e-03] [-7.73446925e-03 -9.22625640e-04 7.15377640e-03] [ 7.73446925e-03 9.22625640e-04 7.15377640e-03] [ 7.73446925e-03 -9.22625639e-04 7.15377640e-03] [-7.73446925e-03 9.22625639e-04 7.15377640e-03] [ 7.73446925e-03 9.22625641e-04 -7.15377640e-03] [-7.73446925e-03 -9.22625644e-04 -7.15377640e-03] [ 7.73446924e-03 -9.22625636e-04 -7.15377640e-03] [-7.73446926e-03 9.22625641e-04 -7.15377641e-03] [-7.73446925e-03 -9.22625638e-04 7.15377640e-03] [ 7.73446924e-03 9.22625642e-04 7.15377640e-03] [ 7.73446924e-03 -9.22625638e-04 7.15377640e-03] [-7.73446925e-03 9.22625644e-04 7.15377640e-03] [ 7.73446924e-03 9.22625640e-04 -7.15377641e-03] [-7.73446925e-03 -9.22625634e-04 -7.15377640e-03] [ 6.66405819e-12 -9.64625602e-12 3.49786866e-12] [-9.67192038e-13 2.03658440e-12 3.76762844e-12] [ 1.51600954e-12 -1.88064003e-03 6.50870374e-03] [ 3.17031817e-12 1.88064003e-03 6.50870374e-03] [-2.10671584e-12 -1.88064004e-03 -6.50870374e-03] [-1.07441833e-13 1.88064004e-03 -6.50870374e-03] [-8.61875856e-03 -9.50584056e-12 8.12128469e-03] [-8.61875857e-03 -9.08766118e-13 -8.12128469e-03] [ 8.61875856e-03 -1.17969887e-11 8.12128469e-03] [ 8.61875857e-03 -4.47695353e-12 -8.12128468e-03] [-1.00832725e-03 7.59172012e-03 5.38102896e-12] [ 1.00832726e-03 7.59172013e-03 9.44262030e-12] [-1.00832725e-03 -7.59172012e-03 -3.24365881e-12] [ 1.00832725e-03 -7.59172012e-03 2.46081454e-12] [ 3.57473773e-12 -1.88064004e-03 6.50870375e-03] [-1.54319656e-12 1.88064003e-03 6.50870374e-03] [-6.02817275e-13 -1.88064003e-03 -6.50870374e-03] [-3.44369845e-12 1.88064005e-03 -6.50870375e-03] [-8.61875857e-03 -2.54398795e-12 8.12128468e-03] [-8.61875857e-03 -8.57025562e-12 -8.12128469e-03] [ 8.61875857e-03 2.18492021e-12 8.12128469e-03] [ 8.61875856e-03 -3.36526597e-12 -8.12128468e-03] [-1.00832726e-03 7.59172012e-03 -6.74763170e-13] [ 1.00832726e-03 7.59172013e-03 -7.76033839e-13] [-1.00832725e-03 -7.59172011e-03 6.97761922e-12] [ 1.00832725e-03 -7.59172012e-03 4.33768473e-12]] Final stress: [-5.44124225e-04 -3.15632175e-05 4.38909565e-04 -2.31923016e-15 -1.99503669e-17 -1.09976398e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.58044189e-02 -3.74812421e-12 1.92195435e-12] [ 5.58044189e-02 -1.19634858e-12 4.39104308e-12] [ 5.57455904e-12 1.25300661e-03 3.61009877e-12] [ 6.41348086e-12 -1.25300661e-03 5.71470649e-12] [ 6.99967037e-12 -1.03695394e-12 6.20325716e-02] [ 5.50587353e-12 -1.79828374e-12 -6.20325716e-02] [-5.58044189e-02 2.67535993e-13 7.04514194e-14] [ 5.58044189e-02 -3.49415375e-13 -4.36935291e-14] [-2.63768955e-12 1.25300662e-03 3.50204342e-13] [-8.51408354e-13 -1.25300662e-03 -1.32254382e-12] [-2.23684959e-12 -1.78329885e-12 6.20325716e-02] [-1.14586032e-12 -2.37816955e-13 -6.20325716e-02] [-7.15404013e-03 -9.22689294e-04 7.73478490e-03] [ 7.15404013e-03 9.22689291e-04 7.73478490e-03] [ 7.15404013e-03 -9.22689292e-04 -7.73478490e-03] [-7.15404013e-03 9.22689290e-04 -7.73478491e-03] [-7.15404013e-03 -9.22689291e-04 -7.73478491e-03] [ 7.15404014e-03 9.22689294e-04 -7.73478491e-03] [-7.15404013e-03 9.22689293e-04 7.73478490e-03] [ 7.15404013e-03 -9.22689292e-04 7.73478490e-03] [-7.15404014e-03 -9.22689287e-04 7.73478490e-03] [ 7.15404013e-03 9.22689293e-04 7.73478490e-03] [ 7.15404013e-03 -9.22689289e-04 -7.73478491e-03] [-7.15404014e-03 9.22689293e-04 -7.73478491e-03] [-7.15404014e-03 -9.22689286e-04 -7.73478491e-03] [ 7.15404013e-03 9.22689294e-04 -7.73478491e-03] [-7.15404014e-03 9.22689292e-04 7.73478490e-03] [ 7.15404013e-03 -9.22689287e-04 7.73478490e-03] [ 3.54927199e-12 -7.67141906e-12 9.76832504e-12] [-1.61213100e-12 2.96757158e-12 5.74499674e-12] [-2.93431945e-13 7.59182987e-03 -1.00782508e-03] [ 5.39729719e-12 -7.59182987e-03 -1.00782508e-03] [ 7.53301588e-12 7.59182987e-03 1.00782509e-03] [ 2.83979090e-12 -7.59182987e-03 1.00782509e-03] [ 8.12090920e-03 -9.20385990e-12 -8.61837128e-03] [ 8.12090918e-03 -7.18202234e-12 8.61837128e-03] [-8.12090919e-03 -8.06093907e-12 -8.61837129e-03] [-8.12090919e-03 -6.57231561e-12 8.61837129e-03] [ 6.50864805e-03 -1.88034048e-03 5.84698956e-12] [-6.50864804e-03 -1.88034048e-03 3.72919924e-12] [ 6.50864805e-03 1.88034048e-03 3.92528891e-12] [-6.50864804e-03 1.88034048e-03 3.95097149e-12] [ 1.29299479e-12 7.59182988e-03 -1.00782509e-03] [ 2.26657235e-13 -7.59182987e-03 -1.00782508e-03] [ 6.15847217e-13 7.59182988e-03 1.00782509e-03] [-4.85561548e-12 -7.59182987e-03 1.00782509e-03] [ 8.12090918e-03 -1.67249478e-12 -8.61837128e-03] [ 8.12090918e-03 -4.15561509e-12 8.61837128e-03] [-8.12090919e-03 -3.62553217e-12 -8.61837129e-03] [-8.12090918e-03 -2.14627491e-12 8.61837128e-03] [ 6.50864805e-03 -1.88034049e-03 2.21757247e-12] [-6.50864805e-03 -1.88034048e-03 2.83442877e-12] [ 6.50864805e-03 1.88034050e-03 -1.94645669e-12] [-6.50864806e-03 1.88034049e-03 7.28538193e-12]] Final stress: [ 4.38922857e-04 -3.15658252e-05 -5.44145705e-04 -1.03243149e-15 -3.37659960e-15 -1.77059506e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-9.52744495e-04 6.48530708e-14 -8.23854873e-14] [ 9.52744495e-04 1.76636483e-13 -3.00592884e-14] [-1.08683028e-13 -8.51146924e-05 2.84615213e-13] [-2.30870878e-13 8.51146931e-05 2.15494289e-13] [-1.66464065e-14 6.03839027e-13 -9.52744494e-04] [ 9.63396030e-14 5.39318590e-13 9.52744494e-04] [-9.52744496e-04 1.40967966e-14 -1.19593661e-13] [ 9.52744495e-04 -4.99821538e-14 -1.73057973e-13] [-4.63322956e-14 -8.51146927e-05 -7.55649433e-14] [ 9.15326842e-15 8.51146931e-05 -8.75212005e-14] [-9.78297304e-14 -5.86764696e-14 -9.52744496e-04] [ 1.57028036e-13 2.98097248e-14 9.52744495e-04] [-8.79914884e-05 -4.91879048e-04 -8.79914885e-05] [ 8.79914889e-05 4.91879048e-04 -8.79914885e-05] [ 8.79914888e-05 -4.91879048e-04 8.79914892e-05] [-8.79914884e-05 4.91879047e-04 8.79914886e-05] [-8.79914884e-05 -4.91879048e-04 8.79914889e-05] [ 8.79914891e-05 4.91879047e-04 8.79914888e-05] [-8.79914886e-05 4.91879048e-04 -8.79914889e-05] [ 8.79914886e-05 -4.91879048e-04 -8.79914886e-05] [-8.79914894e-05 -4.91879049e-04 -8.79914883e-05] [ 8.79914889e-05 4.91879047e-04 -8.79914890e-05] [ 8.79914887e-05 -4.91879049e-04 8.79914886e-05] [-8.79914890e-05 4.91879047e-04 8.79914887e-05] [-8.79914892e-05 -4.91879049e-04 8.79914889e-05] [ 8.79914885e-05 4.91879047e-04 8.79914883e-05] [-8.79914893e-05 4.91879048e-04 -8.79914891e-05] [ 8.79914889e-05 -4.91879048e-04 -8.79914881e-05] [ 9.20125087e-13 8.70165051e-13 3.30957484e-13] [-1.32662110e-13 -7.47663655e-14 3.62855451e-13] [-1.39666056e-13 -2.21645457e-04 -3.29360839e-04] [-4.06973066e-13 2.21645455e-04 -3.29360841e-04] [-2.31923855e-13 -2.21645456e-04 3.29360839e-04] [-7.78127562e-13 2.21645456e-04 3.29360840e-04] [ 3.99888848e-05 -8.09685652e-13 3.99888863e-05] [ 3.99888851e-05 -8.29869160e-13 -3.99888861e-05] [-3.99888852e-05 -2.39874093e-13 3.99888863e-05] [-3.99888849e-05 -1.49026624e-13 -3.99888856e-05] [-3.29360839e-04 -2.21645455e-04 -2.28039809e-13] [ 3.29360839e-04 -2.21645456e-04 -1.78277532e-13] [-3.29360840e-04 2.21645455e-04 -5.29585056e-13] [ 3.29360839e-04 2.21645457e-04 -1.42592535e-13] [ 2.86195113e-13 -2.21645457e-04 -3.29360840e-04] [ 9.31706969e-14 2.21645457e-04 -3.29360839e-04] [ 1.65118787e-13 -2.21645456e-04 3.29360840e-04] [-2.22427111e-13 2.21645457e-04 3.29360839e-04] [ 3.99888855e-05 -3.76147559e-13 3.99888855e-05] [ 3.99888860e-05 1.49240429e-13 -3.99888855e-05] [-3.99888836e-05 2.14855043e-13 3.99888868e-05] [-3.99888858e-05 3.37065879e-13 -3.99888858e-05] [-3.29360841e-04 -2.21645456e-04 9.49265489e-14] [ 3.29360842e-04 -2.21645455e-04 8.82116611e-14] [-3.29360840e-04 2.21645457e-04 -2.23659683e-13] [ 3.29360839e-04 2.21645457e-04 -5.38020149e-14]] Final stress: [ 3.32854911e-06 -4.12885679e-05 3.32854911e-06 -5.25396993e-16 -5.88577644e-16 2.61035848e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.43127396e-04 -6.14473750e-14 8.42299321e-14] [-9.43127397e-04 -6.25111074e-13 3.99957845e-13] [-5.85576726e-13 -7.63442988e-04 2.58997517e-04] [-3.04173353e-13 7.63442987e-04 -2.58997517e-04] [ 1.31826841e-13 2.58997517e-04 -7.63442988e-04] [-7.67108599e-13 -2.58997517e-04 7.63442989e-04] [ 9.43127398e-04 -3.23330772e-14 -4.51810286e-13] [-9.43127396e-04 1.69358885e-13 -2.42867350e-13] [ 4.03877019e-13 -7.63442988e-04 2.58997517e-04] [ 9.24585929e-14 7.63442988e-04 -2.58997517e-04] [-2.21542402e-13 2.58997517e-04 -7.63442988e-04] [ 3.67321625e-13 -2.58997517e-04 7.63442987e-04] [ 8.25481402e-04 -8.83115290e-06 -8.83115272e-06] [ 8.10943251e-04 -8.60155083e-04 8.60155084e-04] [ 8.10943251e-04 8.60155084e-04 -8.60155085e-04] [ 8.25481402e-04 8.83115255e-06 8.83115366e-06] [-8.10943251e-04 8.60155084e-04 -8.60155084e-04] [-8.25481403e-04 8.83115403e-06 8.83115396e-06] [-8.10943251e-04 -8.60155084e-04 8.60155084e-04] [-8.25481403e-04 -8.83115356e-06 -8.83115291e-06] [ 8.25481403e-04 -8.83115280e-06 -8.83115387e-06] [ 8.10943251e-04 -8.60155084e-04 8.60155084e-04] [ 8.10943251e-04 8.60155085e-04 -8.60155084e-04] [ 8.25481403e-04 8.83115332e-06 8.83115351e-06] [-8.10943252e-04 8.60155085e-04 -8.60155084e-04] [-8.25481403e-04 8.83115329e-06 8.83115376e-06] [-8.10943250e-04 -8.60155085e-04 8.60155084e-04] [-8.25481403e-04 -8.83115359e-06 -8.83115330e-06] [-3.82222032e-13 1.00128239e-12 -7.16759985e-13] [-1.02660632e-12 -1.10458476e-12 3.13230900e-13] [-7.50954854e-13 1.14110510e-03 1.14110509e-03] [ 3.28261723e-13 -6.94069782e-05 6.94069754e-05] [-2.10829444e-12 6.94069767e-05 -6.94069746e-05] [-1.03390560e-12 -1.14110509e-03 -1.14110509e-03] [ 1.33339382e-04 1.80733173e-03 4.06388422e-04] [ 1.33339382e-04 -1.80733173e-03 -4.06388424e-04] [-1.33339385e-04 1.80733173e-03 4.06388420e-04] [-1.33339383e-04 -1.80733173e-03 -4.06388421e-04] [ 1.33339387e-04 4.06388417e-04 1.80733173e-03] [-1.33339387e-04 4.06388417e-04 1.80733173e-03] [ 1.33339388e-04 -4.06388416e-04 -1.80733173e-03] [-1.33339391e-04 -4.06388413e-04 -1.80733173e-03] [ 2.30387671e-12 1.14110509e-03 1.14110510e-03] [ 1.07428389e-13 -6.94069729e-05 6.94069796e-05] [ 7.33917267e-13 6.94069720e-05 -6.94069813e-05] [ 2.03577519e-12 -1.14110509e-03 -1.14110509e-03] [ 1.33339388e-04 1.80733173e-03 4.06388416e-04] [ 1.33339389e-04 -1.80733173e-03 -4.06388417e-04] [-1.33339385e-04 1.80733173e-03 4.06388418e-04] [-1.33339389e-04 -1.80733173e-03 -4.06388415e-04] [ 1.33339385e-04 4.06388420e-04 1.80733173e-03] [-1.33339384e-04 4.06388421e-04 1.80733173e-03] [ 1.33339384e-04 -4.06388420e-04 -1.80733173e-03] [-1.33339381e-04 -4.06388424e-04 -1.80733173e-03]] Final stress: [-4.03527809e-05 1.68857516e-05 1.68857516e-05 1.97980755e-05 -3.50781490e-16 2.57683085e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.69371622e-04 4.92531363e-15 -7.47752554e-15] [-4.69371621e-04 -1.78801418e-13 -1.82354132e-14] [-2.66540262e-14 4.62274858e-06 9.77989341e-05] [ 1.50074397e-13 -4.62274891e-06 -9.77989339e-05] [-3.28374480e-14 9.77989339e-05 4.62274888e-06] [ 4.21884749e-14 -9.77989339e-05 -4.62274912e-06] [ 4.69371622e-04 9.65200142e-14 7.17683443e-14] [-4.69371621e-04 1.77905433e-13 2.98452893e-14] [ 1.49069125e-14 4.62274927e-06 9.77989339e-05] [-7.47839290e-14 -4.62274892e-06 -9.77989341e-05] [-2.65785657e-14 9.77989341e-05 4.62274909e-06] [-2.21658629e-14 -9.77989339e-05 -4.62274887e-06] [-3.58634865e-04 1.58363473e-04 1.58363473e-04] [-2.21389727e-04 -1.47553862e-04 1.47553862e-04] [-2.21389727e-04 1.47553862e-04 -1.47553862e-04] [-3.58634865e-04 -1.58363473e-04 -1.58363473e-04] [ 2.21389727e-04 1.47553862e-04 -1.47553862e-04] [ 3.58634865e-04 -1.58363473e-04 -1.58363473e-04] [ 2.21389727e-04 -1.47553862e-04 1.47553862e-04] [ 3.58634865e-04 1.58363473e-04 1.58363473e-04] [-3.58634865e-04 1.58363473e-04 1.58363473e-04] [-2.21389727e-04 -1.47553862e-04 1.47553862e-04] [-2.21389727e-04 1.47553862e-04 -1.47553862e-04] [-3.58634864e-04 -1.58363473e-04 -1.58363473e-04] [ 2.21389727e-04 1.47553862e-04 -1.47553862e-04] [ 3.58634865e-04 -1.58363473e-04 -1.58363473e-04] [ 2.21389727e-04 -1.47553862e-04 1.47553862e-04] [ 3.58634865e-04 1.58363473e-04 1.58363473e-04] [-4.02455846e-14 1.96509475e-13 2.54768429e-13] [-3.70844848e-14 2.29115636e-14 -2.43968562e-13] [ 1.07247544e-13 -1.17189178e-04 -1.17189177e-04] [-1.99350952e-13 -6.06741662e-04 6.06741662e-04] [-1.96644784e-13 6.06741662e-04 -6.06741662e-04] [-2.01887118e-14 1.17189177e-04 1.17189178e-04] [ 4.15318947e-05 -3.44609873e-04 6.14286682e-05] [ 4.15318951e-05 3.44609872e-04 -6.14286676e-05] [-4.15318948e-05 -3.44609873e-04 6.14286678e-05] [-4.15318951e-05 3.44609873e-04 -6.14286676e-05] [ 4.15318955e-05 6.14286672e-05 -3.44609872e-04] [-4.15318948e-05 6.14286680e-05 -3.44609872e-04] [ 4.15318954e-05 -6.14286673e-05 3.44609873e-04] [-4.15318949e-05 -6.14286680e-05 3.44609873e-04] [-2.67059812e-13 -1.17189177e-04 -1.17189177e-04] [-2.99361230e-13 -6.06741663e-04 6.06741662e-04] [-1.20915430e-13 6.06741662e-04 -6.06741662e-04] [-9.28098744e-14 1.17189178e-04 1.17189177e-04] [ 4.15318952e-05 -3.44609873e-04 6.14286678e-05] [ 4.15318947e-05 3.44609873e-04 -6.14286685e-05] [-4.15318955e-05 -3.44609872e-04 6.14286674e-05] [-4.15318953e-05 3.44609873e-04 -6.14286678e-05] [ 4.15318950e-05 6.14286679e-05 -3.44609873e-04] [-4.15318948e-05 6.14286681e-05 -3.44609872e-04] [ 4.15318954e-05 -6.14286673e-05 3.44609873e-04] [-4.15318950e-05 -6.14286680e-05 3.44609872e-04]] Final stress: [-1.31804834e-05 1.48214135e-05 1.48214135e-05 -1.54493667e-05 5.48615600e-17 1.09723120e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.05483850e-03 1.37155044e-13 1.33271432e-13] [ 1.05483850e-03 -6.07847106e-14 -2.74780199e-14] [ 2.60262298e-13 1.09358098e-03 -3.21559746e-05] [-4.54497551e-13 -1.09358097e-03 3.21559756e-05] [-4.33607577e-13 -3.21559749e-05 1.09358097e-03] [ 9.50434176e-13 3.21559753e-05 -1.09358098e-03] [-1.05483850e-03 9.31815389e-14 -9.76137603e-14] [ 1.05483850e-03 -1.17851041e-13 -1.25970882e-13] [ 9.10712478e-14 1.09358097e-03 -3.21559760e-05] [ 3.35796061e-13 -1.09358097e-03 3.21559755e-05] [-1.62692776e-13 -3.21559760e-05 1.09358097e-03] [-1.73154893e-13 3.21559759e-05 -1.09358097e-03] [ 7.38452295e-04 -1.04100023e-03 -1.04100023e-03] [ 8.67288350e-04 9.00045600e-05 -9.00045591e-05] [ 8.67288350e-04 -9.00045583e-05 9.00045589e-05] [ 7.38452294e-04 1.04100023e-03 1.04100023e-03] [-8.67288350e-04 -9.00045581e-05 9.00045583e-05] [-7.38452294e-04 1.04100023e-03 1.04100023e-03] [-8.67288349e-04 9.00045577e-05 -9.00045573e-05] [-7.38452294e-04 -1.04100023e-03 -1.04100023e-03] [ 7.38452295e-04 -1.04100023e-03 -1.04100023e-03] [ 8.67288350e-04 9.00045581e-05 -9.00045591e-05] [ 8.67288349e-04 -9.00045570e-05 9.00045578e-05] [ 7.38452295e-04 1.04100023e-03 1.04100023e-03] [-8.67288351e-04 -9.00045590e-05 9.00045587e-05] [-7.38452294e-04 1.04100023e-03 1.04100023e-03] [-8.67288352e-04 9.00045589e-05 -9.00045582e-05] [-7.38452294e-04 -1.04100023e-03 -1.04100023e-03] [ 9.31088540e-13 -1.30520594e-12 6.74654776e-13] [-1.89016511e-12 -7.81564395e-13 -3.87084689e-13] [-4.81537032e-12 -1.52169590e-04 -1.52169588e-04] [ 1.89374558e-13 1.58142160e-03 -1.58142160e-03] [-3.04661157e-12 -1.58142160e-03 1.58142160e-03] [-3.41927875e-12 1.52169588e-04 1.52169589e-04] [ 4.03759306e-04 2.31719731e-03 -1.17255147e-03] [ 4.03759302e-04 -2.31719732e-03 1.17255147e-03] [-4.03759311e-04 2.31719731e-03 -1.17255148e-03] [-4.03759307e-04 -2.31719732e-03 1.17255148e-03] [ 4.03759308e-04 -1.17255148e-03 2.31719732e-03] [-4.03759308e-04 -1.17255148e-03 2.31719731e-03] [ 4.03759305e-04 1.17255147e-03 -2.31719731e-03] [-4.03759308e-04 1.17255148e-03 -2.31719732e-03] [ 2.39465349e-12 -1.52169590e-04 -1.52169588e-04] [ 2.38145658e-12 1.58142160e-03 -1.58142159e-03] [ 1.33761838e-12 -1.58142160e-03 1.58142160e-03] [ 4.41739527e-13 1.52169590e-04 1.52169587e-04] [ 4.03759309e-04 2.31719731e-03 -1.17255148e-03] [ 4.03759307e-04 -2.31719732e-03 1.17255148e-03] [-4.03759307e-04 2.31719731e-03 -1.17255148e-03] [-4.03759303e-04 -2.31719731e-03 1.17255147e-03] [ 4.03759308e-04 -1.17255148e-03 2.31719732e-03] [-4.03759304e-04 -1.17255148e-03 2.31719731e-03] [ 4.03759310e-04 1.17255148e-03 -2.31719731e-03] [-4.03759303e-04 1.17255147e-03 -2.31719731e-03]] Final stress: [ 5.18852952e-05 -1.58535291e-05 -1.58535291e-05 1.66235654e-05 -7.16576137e-16 8.22981874e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.70867680e-04 7.77702555e-14 2.62381263e-14] [ 4.70867679e-04 6.11177775e-14 -2.05391260e-15] [-3.98340215e-14 3.10082796e-05 4.63666225e-05] [-1.96509475e-14 -3.10082800e-05 -4.63666223e-05] [-1.08515627e-14 4.63666224e-05 3.10082794e-05] [-6.71684930e-15 -4.63666224e-05 -3.10082796e-05] [-4.70867680e-04 -7.16349723e-14 -1.49444866e-14] [ 4.70867680e-04 -3.38088932e-14 5.05645009e-14] [ 1.07886790e-14 3.10082802e-05 4.63666225e-05] [-1.77483896e-14 -3.10082798e-05 -4.63666225e-05] [-5.04726469e-14 4.63666224e-05 3.10082805e-05] [ 1.24466409e-15 -4.63666224e-05 -3.10082800e-05] [-2.48053863e-04 -1.25055232e-04 -1.25055232e-04] [-3.73068111e-04 1.91393102e-04 -1.91393102e-04] [-3.73068111e-04 -1.91393103e-04 1.91393102e-04] [-2.48053863e-04 1.25055232e-04 1.25055232e-04] [ 3.73068111e-04 -1.91393103e-04 1.91393102e-04] [ 2.48053863e-04 1.25055232e-04 1.25055232e-04] [ 3.73068111e-04 1.91393102e-04 -1.91393102e-04] [ 2.48053863e-04 -1.25055232e-04 -1.25055232e-04] [-2.48053863e-04 -1.25055232e-04 -1.25055233e-04] [-3.73068111e-04 1.91393102e-04 -1.91393102e-04] [-3.73068111e-04 -1.91393102e-04 1.91393102e-04] [-2.48053863e-04 1.25055232e-04 1.25055232e-04] [ 3.73068111e-04 -1.91393102e-04 1.91393102e-04] [ 2.48053863e-04 1.25055232e-04 1.25055232e-04] [ 3.73068111e-04 1.91393103e-04 -1.91393102e-04] [ 2.48053863e-04 -1.25055232e-04 -1.25055232e-04] [ 2.37532216e-13 2.90711899e-13 4.15084633e-13] [-1.44931376e-13 -2.39755294e-13 -3.38557723e-13] [ 1.65867320e-13 -5.81292784e-04 -5.81292787e-04] [ 3.61707192e-14 -1.00493122e-04 1.00493120e-04] [ 6.00838823e-14 1.00493122e-04 -1.00493121e-04] [-6.56454058e-14 5.81292785e-04 5.81292786e-04] [-1.00311788e-04 -3.95297713e-04 -1.39217920e-05] [-1.00311788e-04 3.95297712e-04 1.39217918e-05] [ 1.00311788e-04 -3.95297713e-04 -1.39217917e-05] [ 1.00311789e-04 3.95297712e-04 1.39217913e-05] [-1.00311787e-04 -1.39217930e-05 -3.95297712e-04] [ 1.00311788e-04 -1.39217927e-05 -3.95297712e-04] [-1.00311787e-04 1.39217930e-05 3.95297712e-04] [ 1.00311787e-04 1.39217927e-05 3.95297712e-04] [-1.87723968e-13 -5.81292787e-04 -5.81292785e-04] [-1.82164613e-13 -1.00493121e-04 1.00493122e-04] [-9.35484329e-14 1.00493121e-04 -1.00493121e-04] [ 8.67565568e-14 5.81292787e-04 5.81292785e-04] [-1.00311787e-04 -3.95297712e-04 -1.39217925e-05] [-1.00311787e-04 3.95297712e-04 1.39217929e-05] [ 1.00311787e-04 -3.95297712e-04 -1.39217927e-05] [ 1.00311786e-04 3.95297712e-04 1.39217932e-05] [-1.00311788e-04 -1.39217914e-05 -3.95297712e-04] [ 1.00311788e-04 -1.39217914e-05 -3.95297712e-04] [-1.00311789e-04 1.39217909e-05 3.95297713e-04] [ 1.00311788e-04 1.39217913e-05 3.95297713e-04]] Final stress: [ 1.31801522e-05 -1.51737577e-05 -1.51737577e-05 -1.60107339e-05 -7.81417133e-17 -2.32762550e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.86556345e-04 8.32580532e-14 -3.34036287e-05] [-4.86556345e-04 -1.03445030e-13 3.34036286e-05] [ 2.01388385e-14 1.21891218e-05 -2.56244678e-14] [ 3.16413562e-15 -1.21891218e-05 -3.25017790e-14] [-3.28672380e-05 -6.58821955e-14 1.30308579e-05] [ 3.28672382e-05 -9.37860900e-14 -1.30308584e-05] [ 4.86556345e-04 -5.13686316e-14 -3.34036287e-05] [-4.86556345e-04 2.57259491e-15 3.34036287e-05] [ 2.53221923e-14 1.21891216e-05 -1.29248657e-14] [-8.37207907e-14 -1.21891219e-05 -3.55904900e-14] [-3.28672382e-05 1.99845048e-14 1.30308578e-05] [ 3.28672380e-05 -2.38929603e-14 -1.30308581e-05] [-9.56591468e-05 4.83986344e-04 1.30341102e-04] [ 5.14888916e-05 1.79724361e-04 1.74691822e-04] [ 9.56591469e-05 4.83986344e-04 -1.30341102e-04] [-5.14888916e-05 1.79724360e-04 -1.74691822e-04] [-5.14888918e-05 -1.79724360e-04 -1.74691822e-04] [ 9.56591466e-05 -4.83986344e-04 -1.30341102e-04] [-9.56591467e-05 -4.83986344e-04 1.30341102e-04] [ 5.14888918e-05 -1.79724361e-04 1.74691822e-04] [-9.56591469e-05 4.83986344e-04 1.30341102e-04] [ 5.14888917e-05 1.79724361e-04 1.74691822e-04] [ 9.56591467e-05 4.83986344e-04 -1.30341102e-04] [-5.14888917e-05 1.79724361e-04 -1.74691822e-04] [-5.14888918e-05 -1.79724360e-04 -1.74691822e-04] [ 9.56591468e-05 -4.83986344e-04 -1.30341102e-04] [-9.56591469e-05 -4.83986344e-04 1.30341102e-04] [ 5.14888916e-05 -1.79724361e-04 1.74691822e-04] [ 7.10265180e-14 -9.89763826e-14 1.10494947e-13] [ 2.08572309e-13 3.57045186e-13 2.83710000e-13] [ 3.56835338e-04 2.33223514e-04 2.33267629e-04] [ 3.56835338e-04 -2.33223514e-04 2.33267629e-04] [-3.56835338e-04 2.33223513e-04 -2.33267629e-04] [-3.56835338e-04 -2.33223514e-04 -2.33267629e-04] [ 4.61406697e-04 -3.96460642e-13 3.49016121e-04] [-2.56031355e-04 -3.44389448e-13 3.69079535e-04] [ 2.56031354e-04 -9.34270022e-14 -3.69079536e-04] [-4.61406696e-04 2.45151122e-14 -3.49016122e-04] [ 1.02639031e-04 -1.01234284e-05 3.56877358e-04] [-1.02639032e-04 -1.01234293e-05 -3.56877358e-04] [ 1.02639032e-04 1.01234291e-05 3.56877357e-04] [-1.02639032e-04 1.01234295e-05 -3.56877358e-04] [ 3.56835337e-04 2.33223514e-04 2.33267629e-04] [ 3.56835338e-04 -2.33223514e-04 2.33267628e-04] [-3.56835337e-04 2.33223514e-04 -2.33267628e-04] [-3.56835337e-04 -2.33223515e-04 -2.33267628e-04] [ 4.61406696e-04 -1.71385198e-13 3.49016122e-04] [-2.56031356e-04 -1.92105012e-13 3.69079535e-04] [ 2.56031356e-04 -2.08026305e-13 -3.69079534e-04] [-4.61406696e-04 -2.68147917e-13 -3.49016122e-04] [ 1.02639032e-04 -1.01234298e-05 3.56877358e-04] [-1.02639032e-04 -1.01234296e-05 -3.56877358e-04] [ 1.02639033e-04 1.01234302e-05 3.56877359e-04] [-1.02639033e-04 1.01234302e-05 -3.56877358e-04]] Final stress: [-1.32910601e-05 1.51323202e-05 1.51377982e-05 1.19697949e-16 1.61166051e-05 2.06146468e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.75651046e-04 1.32545450e-13 7.37185920e-05] [-4.75651046e-04 -6.65023592e-14 -7.37185921e-05] [ 4.76793084e-14 1.72592950e-05 -5.10850043e-14] [ 1.13825616e-13 -1.72592952e-05 -1.50435220e-14] [ 7.31543308e-05 -2.31569972e-13 1.80741286e-05] [-7.31543310e-05 8.80129303e-14 -1.80741293e-05] [ 4.75651046e-04 -6.20280736e-14 7.37185922e-05] [-4.75651046e-04 6.74672991e-14 -7.37185922e-05] [-6.30398511e-15 1.72592954e-05 -9.91888739e-14] [-1.68174502e-13 -1.72592953e-05 -3.73842040e-14] [ 7.31543311e-05 1.34804849e-13 1.80741283e-05] [-7.31543309e-05 5.37317174e-14 -1.80741285e-05] [-6.23516716e-05 -1.55426972e-04 1.60479985e-04] [ 7.97210190e-05 -4.58031887e-04 1.42850972e-04] [ 6.23516717e-05 -1.55426972e-04 -1.60479984e-04] [-7.97210191e-05 -4.58031888e-04 -1.42850972e-04] [-7.97210192e-05 4.58031887e-04 -1.42850973e-04] [ 6.23516716e-05 1.55426972e-04 -1.60479984e-04] [-6.23516716e-05 1.55426972e-04 1.60479984e-04] [ 7.97210189e-05 4.58031887e-04 1.42850973e-04] [-6.23516718e-05 -1.55426973e-04 1.60479984e-04] [ 7.97210193e-05 -4.58031887e-04 1.42850973e-04] [ 6.23516715e-05 -1.55426973e-04 -1.60479984e-04] [-7.97210190e-05 -4.58031887e-04 -1.42850972e-04] [-7.97210191e-05 4.58031888e-04 -1.42850972e-04] [ 6.23516716e-05 1.55426972e-04 -1.60479985e-04] [-6.23516717e-05 1.55426972e-04 1.60479984e-04] [ 7.97210192e-05 4.58031887e-04 1.42850973e-04] [-1.24344979e-13 1.85351734e-13 7.41101625e-13] [-2.96682817e-13 -3.33552181e-14 1.16047849e-13] [-3.39688360e-04 2.41660273e-04 2.41727662e-04] [-3.39688360e-04 -2.41660274e-04 2.41727661e-04] [ 3.39688360e-04 2.41660272e-04 -2.41727662e-04] [ 3.39688359e-04 -2.41660273e-04 -2.41727661e-04] [-3.34955899e-04 -5.81645843e-13 -2.99464584e-04] [ 3.93126108e-04 -3.84281149e-13 -4.29374216e-04] [-3.93126109e-04 -1.18384469e-13 4.29374215e-04] [ 3.34955899e-04 -1.84342125e-13 2.99464585e-04] [ 2.90482297e-05 6.48514688e-05 -3.39727421e-04] [-2.90482301e-05 6.48514688e-05 3.39727421e-04] [ 2.90482286e-05 -6.48514699e-05 -3.39727422e-04] [-2.90482294e-05 -6.48514693e-05 3.39727421e-04] [-3.39688359e-04 2.41660274e-04 2.41727660e-04] [-3.39688359e-04 -2.41660274e-04 2.41727661e-04] [ 3.39688360e-04 2.41660275e-04 -2.41727660e-04] [ 3.39688360e-04 -2.41660273e-04 -2.41727661e-04] [-3.34955900e-04 4.94497071e-13 -2.99464583e-04] [ 3.93126108e-04 3.26841202e-13 -4.29374216e-04] [-3.93126107e-04 6.83730850e-13 4.29374217e-04] [ 3.34955899e-04 4.59928970e-13 2.99464583e-04] [ 2.90482301e-05 6.48514683e-05 -3.39727421e-04] [-2.90482295e-05 6.48514686e-05 3.39727421e-04] [ 2.90482307e-05 -6.48514674e-05 -3.39727421e-04] [-2.90482306e-05 -6.48514674e-05 3.39727421e-04]] Final stress: [-1.30520183e-05 1.48955690e-05 1.49009416e-05 -2.90932515e-16 -1.56828250e-05 1.11385591e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.67907830e-04 6.99015498e-14 -1.00969351e-04] [ 4.67907830e-04 9.67559366e-14 1.00969351e-04] [ 1.03772026e-13 -2.33613629e-07 1.41860482e-13] [ 8.95117314e-14 2.33613950e-07 2.21295204e-13] [-1.01527010e-04 -3.14149748e-14 5.75520790e-07] [ 1.01527010e-04 -1.25177646e-13 -5.75520889e-07] [-4.67907830e-04 -5.37339270e-14 -1.00969351e-04] [ 4.67907830e-04 -2.23224217e-14 1.00969351e-04] [-8.14747575e-14 -2.33613818e-07 -6.10178303e-14] [-1.15469266e-13 2.33613597e-07 -1.42094618e-13] [-1.01527010e-04 4.09337409e-14 5.75520782e-07] [ 1.01527010e-04 1.19555971e-13 -5.75520750e-07] [ 5.81103802e-05 1.28260097e-04 -1.62653030e-04] [-7.23677300e-05 4.40336190e-04 -1.48704693e-04] [-5.81103800e-05 1.28260097e-04 1.62653030e-04] [ 7.23677301e-05 4.40336190e-04 1.48704693e-04] [ 7.23677296e-05 -4.40336190e-04 1.48704693e-04] [-5.81103803e-05 -1.28260097e-04 1.62653030e-04] [ 5.81103805e-05 -1.28260097e-04 -1.62653030e-04] [-7.23677295e-05 -4.40336190e-04 -1.48704693e-04] [ 5.81103802e-05 1.28260097e-04 -1.62653030e-04] [-7.23677296e-05 4.40336190e-04 -1.48704693e-04] [-5.81103805e-05 1.28260097e-04 1.62653029e-04] [ 7.23677296e-05 4.40336190e-04 1.48704693e-04] [ 7.23677300e-05 -4.40336190e-04 1.48704693e-04] [-5.81103804e-05 -1.28260097e-04 1.62653030e-04] [ 5.81103802e-05 -1.28260097e-04 -1.62653030e-04] [-7.23677298e-05 -4.40336190e-04 -1.48704693e-04] [ 1.11494147e-13 -4.20607993e-13 4.93133312e-13] [-2.06298086e-13 5.43789319e-13 -2.37865568e-13] [ 3.49607077e-04 -2.47055747e-04 -2.46987652e-04] [ 3.49607077e-04 2.47055747e-04 -2.46987652e-04] [-3.49607077e-04 -2.47055747e-04 2.46987652e-04] [-3.49607077e-04 2.47055747e-04 2.46987652e-04] [ 3.13362158e-04 -4.06896739e-13 2.92673095e-04] [-4.02164460e-04 -1.39992185e-13 4.22081740e-04] [ 4.02164460e-04 -3.49491269e-13 -4.22081741e-04] [-3.13362158e-04 4.38919734e-14 -2.92673096e-04] [-4.44283912e-05 -6.47990277e-05 3.49570681e-04] [ 4.44283907e-05 -6.47990283e-05 -3.49570681e-04] [-4.44283907e-05 6.47990279e-05 3.49570681e-04] [ 4.44283901e-05 6.47990287e-05 -3.49570682e-04] [ 3.49607077e-04 -2.47055747e-04 -2.46987652e-04] [ 3.49607077e-04 2.47055747e-04 -2.46987652e-04] [-3.49607077e-04 -2.47055746e-04 2.46987653e-04] [-3.49607077e-04 2.47055746e-04 2.46987652e-04] [ 3.13362158e-04 -1.36669752e-13 2.92673096e-04] [-4.02164460e-04 -3.53975096e-13 4.22081741e-04] [ 4.02164461e-04 -2.54650467e-13 -4.22081740e-04] [-3.13362158e-04 -1.91676969e-13 -2.92673096e-04] [-4.44283905e-05 -6.47990283e-05 3.49570682e-04] [ 4.44283906e-05 -6.47990281e-05 -3.49570682e-04] [-4.44283904e-05 6.47990286e-05 3.49570682e-04] [ 4.44283902e-05 6.47990287e-05 -3.49570681e-04]] Final stress: [ 1.29238643e-05 -1.50213766e-05 -1.50164744e-05 1.39657530e-16 1.54213198e-05 -7.98043029e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.67907831e-04 7.78804105e-14 1.00969348e-04] [ 4.67907831e-04 2.95874436e-14 -1.00969348e-04] [ 2.67043332e-14 -2.33615677e-07 3.08520570e-14] [ 1.40915057e-13 2.33615851e-07 3.83304499e-14] [ 1.01527008e-04 -4.39487856e-14 5.75518528e-07] [-1.01527008e-04 3.24740235e-14 -5.75518933e-07] [-4.67907831e-04 -9.23896376e-14 1.00969348e-04] [ 4.67907831e-04 -2.20947392e-14 -1.00969348e-04] [-8.13580973e-14 -2.33615990e-07 2.76787468e-15] [-1.38183735e-13 2.33616142e-07 -6.28569322e-14] [ 1.01527007e-04 3.02393620e-14 5.75518879e-07] [-1.01527007e-04 8.35388252e-15 -5.75518913e-07] [ 7.23677304e-05 -4.40336192e-04 -1.48704693e-04] [-5.81103804e-05 -1.28260099e-04 -1.62653030e-04] [-7.23677299e-05 -4.40336192e-04 1.48704693e-04] [ 5.81103806e-05 -1.28260099e-04 1.62653030e-04] [ 5.81103805e-05 1.28260100e-04 1.62653029e-04] [-7.23677301e-05 4.40336192e-04 1.48704693e-04] [ 7.23677303e-05 4.40336192e-04 -1.48704693e-04] [-5.81103805e-05 1.28260099e-04 -1.62653030e-04] [ 7.23677301e-05 -4.40336192e-04 -1.48704693e-04] [-5.81103804e-05 -1.28260099e-04 -1.62653030e-04] [-7.23677304e-05 -4.40336192e-04 1.48704693e-04] [ 5.81103804e-05 -1.28260099e-04 1.62653030e-04] [ 5.81103802e-05 1.28260099e-04 1.62653030e-04] [-7.23677303e-05 4.40336192e-04 1.48704693e-04] [ 7.23677302e-05 4.40336192e-04 -1.48704693e-04] [-5.81103805e-05 1.28260099e-04 -1.62653030e-04] [ 4.01179090e-13 -4.82114348e-14 4.82808238e-13] [-1.62521472e-13 -1.79417007e-13 8.04178033e-14] [-3.49607076e-04 -2.47055747e-04 -2.46987651e-04] [-3.49607076e-04 2.47055747e-04 -2.46987651e-04] [ 3.49607076e-04 -2.47055748e-04 2.46987651e-04] [ 3.49607076e-04 2.47055748e-04 2.46987651e-04] [-4.02164456e-04 -5.75983705e-13 -4.22081744e-04] [ 3.13362163e-04 -1.61148872e-13 -2.92673092e-04] [-3.13362163e-04 -4.12031520e-13 2.92673093e-04] [ 4.02164456e-04 -7.37743200e-14 4.22081744e-04] [-4.44283863e-05 -6.47990311e-05 -3.49570680e-04] [ 4.44283857e-05 -6.47990318e-05 3.49570680e-04] [-4.44283868e-05 6.47990306e-05 -3.49570680e-04] [ 4.44283863e-05 6.47990313e-05 3.49570680e-04] [-3.49607075e-04 -2.47055746e-04 -2.46987652e-04] [-3.49607075e-04 2.47055746e-04 -2.46987652e-04] [ 3.49607076e-04 -2.47055746e-04 2.46987653e-04] [ 3.49607076e-04 2.47055747e-04 2.46987651e-04] [-4.02164457e-04 3.21996443e-13 -4.22081743e-04] [ 3.13362163e-04 -9.80823495e-14 -2.92673093e-04] [-3.13362162e-04 -1.11206617e-13 2.92673094e-04] [ 4.02164457e-04 -8.95182366e-14 4.22081743e-04] [-4.44283858e-05 -6.47990317e-05 -3.49570680e-04] [ 4.44283853e-05 -6.47990319e-05 3.49570681e-04] [-4.44283857e-05 6.47990317e-05 -3.49570680e-04] [ 4.44283848e-05 6.47990324e-05 3.49570681e-04]] Final stress: [ 1.29238643e-05 -1.50213766e-05 -1.50164744e-05 1.19706454e-16 -1.54213198e-05 1.66258964e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.73366569e-04 -8.27838327e-05 5.81769875e-14] [-4.73366569e-04 8.27838329e-05 2.13995488e-14] [-8.22134038e-05 1.62023548e-05 4.92340543e-14] [ 8.22134038e-05 -1.62023550e-05 1.17128529e-14] [ 4.65734222e-14 -4.05426560e-14 1.53908907e-05] [-8.98725538e-14 8.66529071e-14 -1.53908908e-05] [ 4.73366569e-04 -8.27838330e-05 -4.58858012e-14] [-4.73366569e-04 8.27838329e-05 4.79241838e-14] [-8.22134036e-05 1.62023555e-05 -6.76034067e-14] [ 8.22134036e-05 -1.62023550e-05 -9.13114120e-15] [-5.53051528e-14 -1.35394891e-14 1.53908902e-05] [-7.04930905e-14 -7.34894163e-15 -1.53908906e-05] [-7.67529754e-05 1.45141461e-04 4.52110517e-04] [ 7.67529754e-05 -1.45141461e-04 4.52110517e-04] [ 6.37076643e-05 1.58463430e-04 1.49224755e-04] [-6.37076643e-05 -1.58463430e-04 1.49224755e-04] [-7.67529753e-05 1.45141462e-04 -4.52110517e-04] [ 7.67529754e-05 -1.45141461e-04 -4.52110517e-04] [-6.37076643e-05 -1.58463430e-04 -1.49224756e-04] [ 6.37076642e-05 1.58463430e-04 -1.49224755e-04] [-7.67529755e-05 1.45141461e-04 4.52110517e-04] [ 7.67529753e-05 -1.45141461e-04 4.52110517e-04] [ 6.37076643e-05 1.58463429e-04 1.49224755e-04] [-6.37076640e-05 -1.58463430e-04 1.49224755e-04] [-7.67529754e-05 1.45141461e-04 -4.52110517e-04] [ 7.67529752e-05 -1.45141461e-04 -4.52110517e-04] [-6.37076640e-05 -1.58463430e-04 -1.49224755e-04] [ 6.37076642e-05 1.58463429e-04 -1.49224756e-04] [-3.03645997e-14 6.13675777e-13 1.73278059e-13] [ 1.83510325e-13 -4.49672127e-13 2.64801923e-13] [ 3.38637233e-04 2.43274932e-04 2.43204541e-04] [-3.38637232e-04 -2.43274932e-04 2.43204540e-04] [ 3.38637233e-04 2.43274931e-04 -2.43204541e-04] [-3.38637232e-04 -2.43274931e-04 -2.43204541e-04] [ 2.27603979e-05 3.38673583e-04 7.29712826e-05] [ 2.27603981e-05 3.38673583e-04 -7.29712824e-05] [-2.27603977e-05 -3.38673583e-04 7.29712828e-05] [-2.27603977e-05 -3.38673584e-04 -7.29712827e-05] [ 3.87121684e-04 4.37783903e-04 -6.71684930e-14] [ 3.41530895e-04 -2.91632359e-04 5.65223215e-13] [-3.41530893e-04 2.91632361e-04 -3.06801459e-13] [-3.87121683e-04 -4.37783904e-04 2.11202583e-13] [ 3.38637231e-04 2.43274931e-04 2.43204540e-04] [-3.38637232e-04 -2.43274931e-04 2.43204540e-04] [ 3.38637231e-04 2.43274931e-04 -2.43204540e-04] [-3.38637232e-04 -2.43274931e-04 -2.43204541e-04] [ 2.27603972e-05 3.38673584e-04 7.29712837e-05] [ 2.27603973e-05 3.38673584e-04 -7.29712838e-05] [-2.27603981e-05 -3.38673584e-04 7.29712825e-05] [-2.27603993e-05 -3.38673584e-04 -7.29712815e-05] [ 3.87121684e-04 4.37783903e-04 1.52045850e-13] [ 3.41530895e-04 -2.91632359e-04 4.45895423e-13] [-3.41530895e-04 2.91632359e-04 1.20920472e-13] [-3.87121685e-04 -4.37783903e-04 -6.99514231e-14]] Final stress: [-1.30466661e-05 1.48585579e-05 1.48532167e-05 -8.14611042e-17 -1.99496582e-17 1.55878134e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.74540840e-04 7.73445086e-05 -1.12210588e-14] [-4.74540840e-04 -7.73445087e-05 -1.20903287e-13] [ 7.67776818e-05 2.06051777e-05 -4.80631160e-14] [-7.67776821e-05 -2.06051778e-05 -2.25791608e-13] [-1.29124142e-13 8.49624190e-15 1.97946222e-05] [-6.42541576e-14 -9.73388037e-14 -1.97946227e-05] [ 4.74540840e-04 7.73445088e-05 9.39268954e-15] [-4.74540840e-04 -7.73445088e-05 8.84493923e-14] [ 7.67776820e-05 2.06051780e-05 1.16666907e-13] [-7.67776818e-05 -2.06051780e-05 1.25709893e-13] [ 1.06425719e-13 -5.66365129e-15 1.97946228e-05] [ 9.68409380e-15 -2.13727185e-15 -1.97946225e-05] [-6.40867965e-05 1.58373522e-04 -1.53743228e-04] [ 6.40867966e-05 -1.58373522e-04 -1.53743228e-04] [ 7.78594844e-05 1.44333695e-04 -4.55730593e-04] [-7.78594846e-05 -1.44333695e-04 -4.55730593e-04] [-6.40867968e-05 1.58373522e-04 1.53743227e-04] [ 6.40867963e-05 -1.58373522e-04 1.53743228e-04] [-7.78594845e-05 -1.44333695e-04 4.55730593e-04] [ 7.78594847e-05 1.44333695e-04 4.55730593e-04] [-6.40867963e-05 1.58373522e-04 -1.53743227e-04] [ 6.40867966e-05 -1.58373521e-04 -1.53743228e-04] [ 7.78594847e-05 1.44333695e-04 -4.55730593e-04] [-7.78594844e-05 -1.44333695e-04 -4.55730593e-04] [-6.40867965e-05 1.58373522e-04 1.53743228e-04] [ 6.40867966e-05 -1.58373522e-04 1.53743228e-04] [-7.78594844e-05 -1.44333695e-04 4.55730593e-04] [ 7.78594847e-05 1.44333695e-04 4.55730593e-04] [-3.18606252e-13 -1.63757896e-13 -1.04277698e-13] [-1.63202785e-13 1.26349817e-13 -2.35891876e-14] [-3.36179350e-04 2.42709040e-04 2.42638081e-04] [ 3.36179350e-04 -2.42709040e-04 2.42638081e-04] [-3.36179350e-04 2.42709040e-04 -2.42638081e-04] [ 3.36179349e-04 -2.42709040e-04 -2.42638081e-04] [ 1.54942917e-05 -3.36219497e-04 7.74764192e-05] [ 1.54942923e-05 -3.36219497e-04 -7.74764190e-05] [-1.54942928e-05 3.36219496e-04 7.74764183e-05] [-1.54942917e-05 3.36219496e-04 -7.74764196e-05] [-3.49600179e-04 -2.87935756e-04 -3.52606833e-13] [-3.80659441e-04 4.43099395e-04 5.54261498e-14] [ 3.80659441e-04 -4.43099396e-04 -3.44965376e-13] [ 3.49600179e-04 2.87935756e-04 -8.73467965e-14] [-3.36179350e-04 2.42709041e-04 2.42638081e-04] [ 3.36179349e-04 -2.42709040e-04 2.42638081e-04] [-3.36179349e-04 2.42709041e-04 -2.42638080e-04] [ 3.36179350e-04 -2.42709041e-04 -2.42638081e-04] [ 1.54942921e-05 -3.36219496e-04 7.74764195e-05] [ 1.54942918e-05 -3.36219496e-04 -7.74764196e-05] [-1.54942916e-05 3.36219496e-04 7.74764199e-05] [-1.54942916e-05 3.36219497e-04 -7.74764195e-05] [-3.49600179e-04 -2.87935756e-04 5.51485534e-13] [-3.80659441e-04 4.43099395e-04 -1.97562429e-13] [ 3.80659442e-04 -4.43099395e-04 5.32481740e-13] [ 3.49600178e-04 2.87935756e-04 -1.79366938e-13]] Final stress: [-1.29965144e-05 1.48722656e-05 1.48668932e-05 3.15869588e-16 -1.23022892e-16 -1.56420757e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.67907831e-04 -1.00969346e-04 2.86866884e-14] [ 4.67907832e-04 1.00969346e-04 3.39450690e-14] [-1.01527005e-04 5.75519263e-07 5.80742052e-14] [ 1.01527005e-04 -5.75519355e-07 -7.66886554e-14] [ 1.46865159e-13 -7.04731412e-15 -2.33615239e-07] [ 9.57844914e-14 9.07607323e-14 2.33614863e-07] [-4.67907832e-04 -1.00969346e-04 2.36223938e-14] [ 4.67907831e-04 1.00969346e-04 -2.81916245e-14] [-1.01527005e-04 5.75519103e-07 -3.98672809e-14] [ 1.01527006e-04 -5.75519176e-07 7.38952785e-16] [-1.43066982e-13 -1.74881029e-14 -2.33615543e-07] [-1.03314059e-13 -2.19335906e-14 2.33615089e-07] [ 5.81103798e-05 -1.62653030e-04 1.28260100e-04] [-5.81103798e-05 1.62653031e-04 1.28260100e-04] [-7.23677312e-05 -1.48704692e-04 4.40336193e-04] [ 7.23677313e-05 1.48704692e-04 4.40336193e-04] [ 5.81103798e-05 -1.62653031e-04 -1.28260101e-04] [-5.81103797e-05 1.62653030e-04 -1.28260101e-04] [ 7.23677313e-05 1.48704692e-04 -4.40336193e-04] [-7.23677312e-05 -1.48704692e-04 -4.40336193e-04] [ 5.81103796e-05 -1.62653031e-04 1.28260101e-04] [-5.81103799e-05 1.62653031e-04 1.28260100e-04] [-7.23677311e-05 -1.48704692e-04 4.40336193e-04] [ 7.23677311e-05 1.48704692e-04 4.40336193e-04] [ 5.81103796e-05 -1.62653031e-04 -1.28260101e-04] [-5.81103799e-05 1.62653030e-04 -1.28260101e-04] [ 7.23677312e-05 1.48704692e-04 -4.40336193e-04] [-7.23677311e-05 -1.48704692e-04 -4.40336194e-04] [ 8.19622148e-14 3.52523566e-13 4.30239178e-13] [ 2.71532363e-13 -9.64987906e-14 3.49481184e-13] [ 3.49607077e-04 -2.46987651e-04 -2.47055747e-04] [-3.49607077e-04 2.46987650e-04 -2.47055747e-04] [ 3.49607077e-04 -2.46987651e-04 2.47055747e-04] [-3.49607077e-04 2.46987651e-04 2.47055746e-04] [-4.44283923e-05 3.49570682e-04 -6.47990252e-05] [-4.44283923e-05 3.49570682e-04 6.47990253e-05] [ 4.44283920e-05 -3.49570682e-04 -6.47990252e-05] [ 4.44283915e-05 -3.49570682e-04 6.47990259e-05] [ 3.13362158e-04 2.92673097e-04 4.24549285e-13] [ 4.02164462e-04 -4.22081738e-04 4.72181322e-13] [-4.02164460e-04 4.22081739e-04 4.12456527e-13] [-3.13362157e-04 -2.92673098e-04 7.10941722e-14] [ 3.49607077e-04 -2.46987652e-04 -2.47055745e-04] [-3.49607077e-04 2.46987651e-04 -2.47055746e-04] [ 3.49607077e-04 -2.46987652e-04 2.47055745e-04] [-3.49607077e-04 2.46987652e-04 2.47055745e-04] [-4.44283911e-05 3.49570681e-04 -6.47990263e-05] [-4.44283913e-05 3.49570682e-04 6.47990264e-05] [ 4.44283903e-05 -3.49570682e-04 -6.47990272e-05] [ 4.44283905e-05 -3.49570682e-04 6.47990271e-05] [ 3.13362156e-04 2.92673098e-04 1.66114310e-13] [ 4.02164462e-04 -4.22081737e-04 1.86089357e-13] [-4.02164462e-04 4.22081738e-04 -1.62372293e-13] [-3.13362156e-04 -2.92673099e-04 2.13831123e-13]] Final stress: [ 1.29238643e-05 -1.50164744e-05 -1.50213766e-05 -1.34669761e-16 7.81417133e-17 1.54213198e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.67907829e-04 1.00969353e-04 1.56707113e-13] [ 4.67907829e-04 -1.00969353e-04 -4.55746552e-14] [ 1.01527012e-04 5.75517079e-07 7.11895820e-14] [-1.01527012e-04 -5.75516492e-07 9.87265825e-14] [-3.75446202e-14 1.31829443e-13 -2.33618071e-07] [ 1.53654867e-13 4.76008122e-14 2.33617390e-07] [-4.67907829e-04 1.00969353e-04 -9.60835963e-14] [ 4.67907829e-04 -1.00969353e-04 -3.54316721e-14] [ 1.01527012e-04 5.75516368e-07 -3.47098682e-14] [-1.01527012e-04 -5.75516712e-07 -1.22010200e-13] [-2.13141137e-14 -1.31675070e-13 -2.33617603e-07] [-7.07611053e-14 3.53472213e-14 2.33618246e-07] [ 7.23677282e-05 -1.48704694e-04 -4.40336189e-04] [-7.23677283e-05 1.48704694e-04 -4.40336189e-04] [-5.81103819e-05 -1.62653028e-04 -1.28260097e-04] [ 5.81103822e-05 1.62653028e-04 -1.28260097e-04] [ 7.23677279e-05 -1.48704695e-04 4.40336189e-04] [-7.23677281e-05 1.48704695e-04 4.40336189e-04] [ 5.81103825e-05 1.62653027e-04 1.28260097e-04] [-5.81103824e-05 -1.62653027e-04 1.28260097e-04] [ 7.23677277e-05 -1.48704695e-04 -4.40336189e-04] [-7.23677280e-05 1.48704694e-04 -4.40336189e-04] [-5.81103824e-05 -1.62653027e-04 -1.28260097e-04] [ 5.81103825e-05 1.62653027e-04 -1.28260097e-04] [ 7.23677281e-05 -1.48704694e-04 4.40336189e-04] [-7.23677282e-05 1.48704694e-04 4.40336189e-04] [ 5.81103818e-05 1.62653028e-04 1.28260096e-04] [-5.81103822e-05 -1.62653027e-04 1.28260097e-04] [ 2.97872838e-13 -2.76417778e-13 9.06413833e-13] [ 1.20849945e-13 3.59420320e-13 -8.81301290e-13] [-3.49607073e-04 -2.46987653e-04 -2.47055748e-04] [ 3.49607072e-04 2.46987653e-04 -2.47055747e-04] [-3.49607073e-04 -2.46987653e-04 2.47055748e-04] [ 3.49607072e-04 2.46987653e-04 2.47055747e-04] [-4.44283729e-05 -3.49570677e-04 -6.47990435e-05] [-4.44283733e-05 -3.49570677e-04 6.47990437e-05] [ 4.44283717e-05 3.49570677e-04 -6.47990449e-05] [ 4.44283727e-05 3.49570677e-04 6.47990442e-05] [-4.02164444e-04 -4.22081758e-04 8.08242362e-14] [-3.13362178e-04 2.92673080e-04 7.55593504e-14] [ 3.13362177e-04 -2.92673081e-04 -2.42743325e-13] [ 4.02164443e-04 4.22081758e-04 -4.89695090e-14] [-3.49607072e-04 -2.46987653e-04 -2.47055747e-04] [ 3.49607072e-04 2.46987654e-04 -2.47055747e-04] [-3.49607072e-04 -2.46987653e-04 2.47055747e-04] [ 3.49607073e-04 2.46987653e-04 2.47055747e-04] [-4.44283720e-05 -3.49570677e-04 -6.47990449e-05] [-4.44283720e-05 -3.49570678e-04 6.47990449e-05] [ 4.44283728e-05 3.49570677e-04 -6.47990442e-05] [ 4.44283730e-05 3.49570677e-04 6.47990439e-05] [-4.02164443e-04 -4.22081759e-04 3.66169876e-13] [-3.13362177e-04 2.92673081e-04 1.95183984e-13] [ 3.13362178e-04 -2.92673080e-04 5.97753394e-13] [ 4.02164445e-04 4.22081757e-04 1.74769487e-13]] Final stress: [ 1.29238642e-05 -1.50164744e-05 -1.50213766e-05 -4.98776893e-18 4.98776893e-17 -1.54213198e-05] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.60985139e-03 -3.50092351e-13 -1.29132382e-13] [ 6.60985139e-03 -2.16049401e-13 8.79296636e-14] [-1.09656208e-14 -9.79194770e-03 -1.10520534e-13] [ 1.09190434e-13 9.79194770e-03 1.80133686e-14] [ 5.74375617e-14 -1.95167667e-13 -6.60985139e-03] [ 4.97935027e-14 -3.74561493e-13 6.60985139e-03] [-6.60985139e-03 -2.42737254e-13 -3.14340661e-14] [ 6.60985139e-03 -1.73224716e-13 -9.88072357e-15] [ 2.03569800e-14 -9.79194770e-03 2.90175978e-13] [ 6.41023692e-15 9.79194770e-03 2.39065078e-16] [ 4.50152068e-14 6.03483157e-14 -6.60985139e-03] [-2.24980191e-13 -1.33334729e-13 6.60985139e-03] [-3.19530095e-03 2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 -2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 2.13731262e-03 3.19530095e-03] [-3.19530095e-03 -2.13731262e-03 3.19530095e-03] [-3.19530095e-03 2.13731262e-03 3.19530095e-03] [ 3.19530095e-03 -2.13731262e-03 3.19530095e-03] [-3.19530095e-03 -2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 2.13731262e-03 -3.19530095e-03] [-3.19530095e-03 2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 -2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 2.13731262e-03 3.19530095e-03] [-3.19530095e-03 -2.13731262e-03 3.19530095e-03] [-3.19530095e-03 2.13731262e-03 3.19530095e-03] [ 3.19530095e-03 -2.13731262e-03 3.19530095e-03] [-3.19530095e-03 -2.13731262e-03 -3.19530095e-03] [ 3.19530095e-03 2.13731262e-03 -3.19530095e-03] [-6.05071548e-15 -2.99676950e-13 -3.14276383e-13] [ 4.48933425e-14 3.47358122e-13 -3.16397987e-13] [ 4.66293670e-14 -1.88350345e-03 -1.08549246e-03] [ 5.01231001e-13 1.88350345e-03 -1.08549246e-03] [-2.00634648e-13 -1.88350345e-03 1.08549246e-03] [-1.44832063e-13 1.88350345e-03 1.08549246e-03] [-7.19920844e-03 2.36144437e-13 -7.19920844e-03] [-7.19920844e-03 -7.03655884e-14 7.19920844e-03] [ 7.19920844e-03 2.71522388e-13 -7.19920844e-03] [ 7.19920844e-03 5.48068535e-14 7.19920844e-03] [-1.08549246e-03 -1.88350345e-03 -3.34510197e-13] [ 1.08549246e-03 -1.88350345e-03 8.43405207e-14] [-1.08549246e-03 1.88350345e-03 2.04333078e-13] [ 1.08549246e-03 1.88350345e-03 2.09242346e-13] [-2.72470414e-13 -1.88350345e-03 -1.08549246e-03] [ 1.72019083e-13 1.88350345e-03 -1.08549246e-03] [-3.86855478e-13 -1.88350345e-03 1.08549246e-03] [-2.16491755e-13 1.88350345e-03 1.08549246e-03] [-7.19920844e-03 2.55564581e-13 -7.19920844e-03] [-7.19920844e-03 1.31853296e-13 7.19920844e-03] [ 7.19920844e-03 4.56966062e-13 -7.19920844e-03] [ 7.19920844e-03 3.97124608e-13 7.19920844e-03] [-1.08549246e-03 -1.88350345e-03 -3.47536856e-13] [ 1.08549246e-03 -1.88350345e-03 -5.68577601e-13] [-1.08549246e-03 1.88350345e-03 -2.20577720e-13] [ 1.08549246e-03 1.88350345e-03 -6.19973257e-13]] Final stress: [-4.54350618e-05 3.64986254e-04 -4.54350618e-05 7.88095490e-16 5.32047588e-17 -5.78601752e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 6.74898397e-05 1.29139321e-13 2.97659033e-13] [-6.74898397e-05 7.95752353e-14 1.41137102e-13] [ 9.63391693e-14 7.10654019e-04 -1.34545153e-14] [ 3.24462679e-14 -7.10654019e-04 1.44689816e-13] [ 3.73152030e-14 9.28979116e-14 7.10654019e-04] [ 1.84685600e-13 1.06442632e-13 -7.10654019e-04] [ 6.74898390e-05 7.26111879e-15 -4.00945285e-14] [-6.74898398e-05 5.64218811e-16 -2.08458395e-13] [-1.96906727e-13 7.10654019e-04 -3.82763750e-14] [-5.20616536e-14 -7.10654019e-04 -4.84820738e-14] [-1.77629612e-13 -1.68992604e-13 7.10654020e-04] [ 3.03489872e-15 5.11301348e-15 -7.10654019e-04] [ 3.67229949e-04 5.81324662e-05 5.81324662e-05] [-3.67229949e-04 -5.81324667e-05 5.81324664e-05] [-3.67229949e-04 5.81324661e-05 -5.81324664e-05] [ 3.67229949e-04 -5.81324657e-05 -5.81324659e-05] [ 3.67229949e-04 5.81324660e-05 -5.81324661e-05] [-3.67229949e-04 -5.81324662e-05 -5.81324664e-05] [ 3.67229949e-04 -5.81324664e-05 5.81324665e-05] [-3.67229949e-04 5.81324662e-05 5.81324663e-05] [ 3.67229949e-04 5.81324662e-05 5.81324663e-05] [-3.67229949e-04 -5.81324663e-05 5.81324665e-05] [-3.67229949e-04 5.81324666e-05 -5.81324667e-05] [ 3.67229949e-04 -5.81324662e-05 -5.81324661e-05] [ 3.67229949e-04 5.81324666e-05 -5.81324665e-05] [-3.67229949e-04 -5.81324664e-05 -5.81324664e-05] [ 3.67229949e-04 -5.81324662e-05 5.81324661e-05] [-3.67229949e-04 5.81324664e-05 5.81324655e-05] [ 6.22418783e-13 -6.81399381e-14 3.46306317e-13] [ 3.80044086e-13 3.05770612e-14 -1.07736581e-12] [-3.34732242e-13 -2.63322835e-05 -2.63322857e-05] [-3.54544519e-13 2.63322844e-05 -2.63322851e-05] [ 2.41201156e-13 -2.63322847e-05 2.63322854e-05] [ 4.66363059e-14 2.63322853e-05 2.63322845e-05] [ 1.54769131e-04 2.74447132e-13 2.50850287e-04] [ 1.54769131e-04 5.35438013e-13 -2.50850286e-04] [-1.54769131e-04 1.55890925e-13 2.50850286e-04] [-1.54769131e-04 5.08877662e-13 -2.50850286e-04] [ 1.54769131e-04 2.50850286e-04 6.30606678e-14] [-1.54769131e-04 2.50850285e-04 -1.63742284e-13] [ 1.54769131e-04 -2.50850286e-04 1.72101916e-14] [-1.54769132e-04 -2.50850285e-04 -5.98411945e-13] [ 2.46752705e-13 -2.63322853e-05 -2.63322844e-05] [-1.11245648e-13 2.63322845e-05 -2.63322854e-05] [ 5.29489647e-14 -2.63322852e-05 2.63322842e-05] [ 1.66880832e-13 2.63322847e-05 2.63322846e-05] [ 1.54769131e-04 -3.42607418e-13 2.50850286e-04] [ 1.54769133e-04 -3.00662056e-13 -2.50850285e-04] [-1.54769131e-04 -8.90450907e-14 2.50850286e-04] [-1.54769131e-04 -7.74705820e-14 -2.50850286e-04] [ 1.54769132e-04 2.50850286e-04 1.91450557e-13] [-1.54769131e-04 2.50850286e-04 9.10554591e-14] [ 1.54769131e-04 -2.50850287e-04 9.01890596e-14] [-1.54769131e-04 -2.50850287e-04 2.07065701e-13]] Final stress: [ 3.71132981e-05 1.31513824e-06 1.31513824e-06 -1.04731984e-16 -2.87597354e-16 3.98978988e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.25289997e-03 1.39507069e-12 4.31906290e-12] [-1.25289997e-03 7.63167307e-13 3.85783072e-12] [ 3.54756675e-12 6.20266632e-02 4.21487715e-12] [ 5.57887070e-12 -6.20266632e-02 4.55752103e-12] [ 7.44399551e-12 1.66403349e-14 -5.57992992e-02] [ 5.33220690e-12 7.24559301e-13 5.57992992e-02] [ 1.25289997e-03 -3.15733117e-12 -1.59225398e-12] [-1.25289997e-03 -2.99650148e-12 -1.74288789e-12] [-1.24200563e-13 6.20266632e-02 4.94948496e-13] [-1.38507521e-12 -6.20266632e-02 -1.94005413e-12] [-1.41088660e-12 -6.96938742e-13 -5.57992992e-02] [-1.92706918e-12 -2.44438361e-12 5.57992992e-02] [-9.22532645e-04 7.73400806e-03 -7.15339107e-03] [ 9.22532645e-04 -7.73400806e-03 -7.15339107e-03] [ 9.22532650e-04 7.73400806e-03 7.15339107e-03] [-9.22532645e-04 -7.73400806e-03 7.15339107e-03] [-9.22532646e-04 7.73400806e-03 7.15339107e-03] [ 9.22532645e-04 -7.73400806e-03 7.15339107e-03] [-9.22532644e-04 -7.73400807e-03 -7.15339107e-03] [ 9.22532646e-04 7.73400806e-03 -7.15339107e-03] [-9.22532655e-04 7.73400806e-03 -7.15339107e-03] [ 9.22532644e-04 -7.73400807e-03 -7.15339107e-03] [ 9.22532642e-04 7.73400806e-03 7.15339107e-03] [-9.22532655e-04 -7.73400807e-03 7.15339107e-03] [-9.22532654e-04 7.73400806e-03 7.15339106e-03] [ 9.22532644e-04 -7.73400806e-03 7.15339106e-03] [-9.22532656e-04 -7.73400807e-03 -7.15339107e-03] [ 9.22532642e-04 7.73400806e-03 -7.15339107e-03] [ 5.30053779e-12 -2.22652452e-12 4.65052996e-12] [-3.95828986e-12 8.10730022e-12 -5.82973869e-12] [ 2.98994163e-12 -8.61932433e-03 8.12183325e-03] [ 5.83143603e-12 8.61932434e-03 8.12183324e-03] [ 5.61898097e-12 -8.61932434e-03 -8.12183325e-03] [ 7.16019952e-12 8.61932436e-03 -8.12183325e-03] [-1.88107765e-03 -4.05753209e-12 6.50878509e-03] [-1.88107767e-03 -1.24187986e-12 -6.50878510e-03] [ 1.88107766e-03 -2.70794845e-12 6.50878509e-03] [ 1.88107767e-03 -3.97443883e-12 -6.50878509e-03] [ 7.59155975e-03 -1.00906089e-03 -8.16235968e-13] [-7.59155975e-03 -1.00906090e-03 -2.69520344e-12] [ 7.59155974e-03 1.00906089e-03 1.15637014e-12] [-7.59155975e-03 1.00906090e-03 2.07908517e-12] [ 1.59338645e-12 -8.61932434e-03 8.12183325e-03] [ 7.00348633e-13 8.61932435e-03 8.12183325e-03] [-1.87432622e-12 -8.61932434e-03 -8.12183325e-03] [ 5.52640832e-13 8.61932434e-03 -8.12183325e-03] [-1.88107767e-03 -1.54928144e-12 6.50878510e-03] [-1.88107766e-03 7.75687457e-13 -6.50878509e-03] [ 1.88107767e-03 -3.32276177e-12 6.50878510e-03] [ 1.88107766e-03 -1.43016978e-12 -6.50878509e-03] [ 7.59155975e-03 -1.00906090e-03 1.28148801e-12] [-7.59155976e-03 -1.00906090e-03 7.46436328e-12] [ 7.59155975e-03 1.00906091e-03 -4.09598326e-13] [-7.59155976e-03 1.00906090e-03 5.37412736e-12]] Final stress: [-3.15594076e-05 -5.44092841e-04 4.38890144e-04 2.80801415e-15 1.76893253e-15 1.56111621e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.25292331e-03 -1.89578214e-12 3.21807034e-12] [-1.25292330e-03 -3.16849325e-12 3.85488863e-12] [ 5.28992475e-12 -5.58004195e-02 4.13555952e-12] [ 5.18071697e-12 5.58004195e-02 3.64369646e-12] [ 7.28907169e-12 -3.21739163e-12 6.20279560e-02] [ 6.36260489e-12 -2.40726883e-12 -6.20279560e-02] [ 1.25292330e-03 -9.36795346e-13 -2.86161941e-13] [-1.25292331e-03 -1.69025601e-12 -6.93445962e-13] [-2.75381194e-12 -5.58004195e-02 -1.87265488e-12] [-1.81423149e-12 5.58004195e-02 -1.41380098e-13] [ 4.88524152e-14 8.73452000e-13 6.20279560e-02] [-1.99954983e-12 -1.55979879e-12 -6.20279560e-02] [-9.22566920e-04 -7.15353309e-03 7.73417804e-03] [ 9.22566921e-04 7.15353309e-03 7.73417804e-03] [ 9.22566923e-04 -7.15353309e-03 -7.73417804e-03] [-9.22566917e-04 7.15353309e-03 -7.73417804e-03] [-9.22566919e-04 -7.15353309e-03 -7.73417804e-03] [ 9.22566920e-04 7.15353309e-03 -7.73417804e-03] [-9.22566920e-04 7.15353309e-03 7.73417804e-03] [ 9.22566923e-04 -7.15353309e-03 7.73417804e-03] [-9.22566927e-04 -7.15353309e-03 7.73417804e-03] [ 9.22566918e-04 7.15353309e-03 7.73417804e-03] [ 9.22566916e-04 -7.15353309e-03 -7.73417805e-03] [-9.22566930e-04 7.15353309e-03 -7.73417805e-03] [-9.22566928e-04 -7.15353308e-03 -7.73417805e-03] [ 9.22566918e-04 7.15353309e-03 -7.73417805e-03] [-9.22566930e-04 7.15353309e-03 7.73417804e-03] [ 9.22566915e-04 -7.15353309e-03 7.73417804e-03] [ 5.25923749e-12 -8.50980397e-12 7.88122345e-12] [-2.66730995e-12 6.32176252e-12 4.87988727e-12] [-1.88926652e-12 8.12163105e-03 -8.61911580e-03] [ 4.37116662e-12 -8.12163105e-03 -8.61911580e-03] [ 6.51179111e-12 8.12163105e-03 8.61911581e-03] [ 5.45303212e-12 -8.12163104e-03 8.61911580e-03] [ 7.59161885e-03 -3.10418358e-12 -1.00879049e-03] [ 7.59161885e-03 -1.99389984e-12 1.00879049e-03] [-7.59161885e-03 -2.94868296e-12 -1.00879050e-03] [-7.59161884e-03 -6.27570912e-12 1.00879050e-03] [-1.88091636e-03 6.50875510e-03 1.41664458e-13] [ 1.88091637e-03 6.50875510e-03 2.48575292e-12] [-1.88091636e-03 -6.50875510e-03 5.43918383e-12] [ 1.88091636e-03 -6.50875510e-03 -2.68529990e-13] [-9.00559141e-13 8.12163105e-03 -8.61911580e-03] [-2.43884166e-12 -8.12163105e-03 -8.61911580e-03] [-3.39465218e-12 8.12163105e-03 8.61911580e-03] [ 1.22440209e-12 -8.12163104e-03 8.61911580e-03] [ 7.59161885e-03 -3.57040318e-12 -1.00879049e-03] [ 7.59161886e-03 -2.58213459e-12 1.00879050e-03] [-7.59161885e-03 -4.14143633e-12 -1.00879049e-03] [-7.59161885e-03 4.88760508e-13 1.00879049e-03] [-1.88091636e-03 6.50875510e-03 5.34513927e-12] [ 1.88091636e-03 6.50875510e-03 1.49798823e-12] [-1.88091636e-03 -6.50875509e-03 -4.20889103e-12] [ 1.88091636e-03 -6.50875510e-03 7.15016588e-13]] Final stress: [-3.15608118e-05 4.38897302e-04 -5.44104408e-04 1.41148846e-15 3.53620254e-15 4.15965150e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-3.55194636e-05 -1.26708539e-14 -6.72717090e-14] [ 3.55194645e-05 8.85957974e-14 -1.41497924e-13] [ 3.65249497e-13 -8.68709759e-04 6.12691321e-14] [ 4.05786516e-13 8.68709760e-04 3.87467836e-14] [-2.23312254e-13 1.70110454e-13 -8.68709758e-04] [-7.31081862e-14 -1.15740750e-14 8.68709759e-04] [-3.55194647e-05 2.89657187e-13 4.31431416e-14] [ 3.55194642e-05 1.38963060e-13 2.86214805e-13] [ 2.53916679e-13 -8.68709761e-04 3.18774183e-13] [-1.18020611e-13 8.68709759e-04 9.56448012e-14] [ 3.97269023e-14 -6.85679361e-14 -8.68709758e-04] [-3.65840171e-14 7.88502843e-14 8.68709759e-04] [-4.61251036e-04 -8.24954209e-05 -8.24954210e-05] [ 4.61251036e-04 8.24954208e-05 -8.24954211e-05] [ 4.61251037e-04 -8.24954210e-05 8.24954215e-05] [-4.61251036e-04 8.24954213e-05 8.24954201e-05] [-4.61251036e-04 -8.24954212e-05 8.24954203e-05] [ 4.61251036e-04 8.24954209e-05 8.24954207e-05] [-4.61251036e-04 8.24954209e-05 -8.24954204e-05] [ 4.61251036e-04 -8.24954209e-05 -8.24954212e-05] [-4.61251037e-04 -8.24954212e-05 -8.24954211e-05] [ 4.61251036e-04 8.24954209e-05 -8.24954210e-05] [ 4.61251036e-04 -8.24954214e-05 8.24954205e-05] [-4.61251037e-04 8.24954211e-05 8.24954213e-05] [-4.61251037e-04 -8.24954214e-05 8.24954208e-05] [ 4.61251036e-04 8.24954211e-05 8.24954210e-05] [-4.61251037e-04 8.24954211e-05 -8.24954210e-05] [ 4.61251036e-04 -8.24954210e-05 -8.24954208e-05] [ 6.92529367e-13 -6.75265399e-13 4.28268532e-14] [-3.52654104e-13 1.30619621e-12 -1.73544347e-13] [ 6.18283202e-13 4.65455116e-05 4.65455118e-05] [-2.24651894e-13 -4.65455119e-05 4.65455112e-05] [ 9.39210515e-13 4.65455119e-05 -4.65455116e-05] [ 1.93720040e-13 -4.65455126e-05 -4.65455113e-05] [-1.97767405e-04 -5.78870285e-13 -2.93844161e-04] [-1.97767406e-04 -1.82917917e-13 2.93844160e-04] [ 1.97767406e-04 5.16892085e-13 -2.93844161e-04] [ 1.97767407e-04 5.61750299e-13 2.93844160e-04] [-1.97767406e-04 -2.93844161e-04 -1.28008715e-13] [ 1.97767406e-04 -2.93844160e-04 -6.47995546e-13] [-1.97767406e-04 2.93844161e-04 -2.38071715e-13] [ 1.97767406e-04 2.93844160e-04 -6.51043455e-13] [-2.71389248e-13 4.65455114e-05 4.65455119e-05] [-3.64764642e-13 -4.65455107e-05 4.65455121e-05] [-2.48935421e-13 4.65455127e-05 -4.65455104e-05] [-3.06746382e-13 -4.65455123e-05 -4.65455106e-05] [-1.97767406e-04 -2.00049101e-13 -2.93844160e-04] [-1.97767406e-04 1.70755337e-13 2.93844161e-04] [ 1.97767405e-04 -5.86280156e-14 -2.93844161e-04] [ 1.97767406e-04 -2.18484085e-13 2.93844160e-04] [-1.97767406e-04 -2.93844160e-04 7.33148083e-15] [ 1.97767407e-04 -2.93844160e-04 -3.43948391e-13] [-1.97767407e-04 2.93844159e-04 1.03815272e-13] [ 1.97767406e-04 2.93844162e-04 1.70254436e-14]] Final stress: [-4.05931690e-05 1.80543591e-06 1.80543591e-06 4.42264557e-16 -1.97855197e-16 4.15662178e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.88746967e-05 -1.09774603e-13 -7.03139803e-14] [ 4.88746961e-05 -1.33282274e-13 4.09394740e-14] [ 1.33861238e-13 4.55851730e-04 -4.74184214e-05] [ 1.33726363e-13 -4.55851729e-04 4.74184213e-05] [ 5.42196496e-14 -4.69168496e-05 -4.79826937e-05] [ 9.85322934e-15 4.69168497e-05 4.79826929e-05] [-4.88746963e-05 1.35420754e-13 -7.04654381e-15] [ 4.88746965e-05 1.25052312e-13 -4.33123582e-14] [-2.16766709e-14 4.55851730e-04 -4.74184214e-05] [-3.22250907e-14 -4.55851730e-04 4.74184215e-05] [-8.10710006e-14 -4.69168494e-05 -4.79826935e-05] [ 1.02218581e-15 4.69168493e-05 4.79826940e-05] [ 4.60649244e-04 -9.75717219e-05 1.17410292e-04] [ 1.48876971e-04 2.00383972e-05 1.95182633e-04] [ 1.48876971e-04 -2.00383974e-05 -1.95182633e-04] [ 4.60649243e-04 9.75717220e-05 -1.17410292e-04] [-1.48876971e-04 -2.00383973e-05 -1.95182633e-04] [-4.60649243e-04 9.75717223e-05 -1.17410292e-04] [-1.48876971e-04 2.00383969e-05 1.95182633e-04] [-4.60649244e-04 -9.75717221e-05 1.17410292e-04] [ 4.60649243e-04 -9.75717225e-05 1.17410292e-04] [ 1.48876971e-04 2.00383973e-05 1.95182633e-04] [ 1.48876971e-04 -2.00383969e-05 -1.95182633e-04] [ 4.60649243e-04 9.75717224e-05 -1.17410292e-04] [-1.48876971e-04 -2.00383972e-05 -1.95182633e-04] [-4.60649244e-04 9.75717222e-05 -1.17410292e-04] [-1.48876971e-04 2.00383974e-05 1.95182632e-04] [-4.60649244e-04 -9.75717223e-05 1.17410292e-04] [ 8.44685433e-13 -1.06081810e-13 5.58081359e-13] [-2.70727451e-13 2.48915132e-13 -4.80150246e-13] [-4.50306459e-13 3.45289069e-04 4.37673880e-04] [-3.52594690e-13 3.23373853e-04 -2.32014798e-04] [-7.23199278e-13 -3.23373853e-04 2.32014798e-04] [-8.17835383e-14 -3.45289069e-04 -4.37673880e-04] [ 2.46072619e-04 4.11377888e-04 2.46132741e-04] [ 2.46072618e-04 -4.11377888e-04 -2.46132741e-04] [-2.46072620e-04 4.11377887e-04 2.46132738e-04] [-2.46072620e-04 -4.11377888e-04 -2.46132739e-04] [ 1.02737325e-04 1.09247146e-05 4.11476081e-04] [-1.02737325e-04 1.09247139e-05 4.11476081e-04] [ 1.02737325e-04 -1.09247142e-05 -4.11476081e-04] [-1.02737326e-04 -1.09247132e-05 -4.11476081e-04] [ 1.02663667e-12 3.45289069e-04 4.37673880e-04] [ 7.21427692e-13 3.23373852e-04 -2.32014799e-04] [ 5.09218102e-13 -3.23373853e-04 2.32014799e-04] [ 6.50117113e-13 -3.45289069e-04 -4.37673879e-04] [ 2.46072619e-04 4.11377887e-04 2.46132740e-04] [ 2.46072619e-04 -4.11377888e-04 -2.46132740e-04] [-2.46072619e-04 4.11377888e-04 2.46132740e-04] [-2.46072619e-04 -4.11377888e-04 -2.46132741e-04] [ 1.02737326e-04 1.09247127e-05 4.11476081e-04] [-1.02737324e-04 1.09247144e-05 4.11476082e-04] [ 1.02737327e-04 -1.09247118e-05 -4.11476080e-04] [-1.02737325e-04 -1.09247143e-05 -4.11476081e-04]] Final stress: [ 1.47110055e-05 -1.32147365e-05 1.47160324e-05 1.60073497e-05 -6.64988606e-17 7.97986327e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.10762541e-04 -7.34742128e-14 3.77900836e-14] [ 1.10762541e-04 -2.83939539e-14 1.26343380e-13] [ 5.22091051e-14 4.36963163e-04 1.12480835e-05] [-9.53126467e-14 -4.36963164e-04 -1.12480835e-05] [-1.39937974e-13 1.08191108e-05 -1.09791596e-04] [-7.63278329e-14 -1.08191107e-05 1.09791595e-04] [-1.10762542e-04 1.81994177e-14 -1.40108237e-14] [ 1.10762542e-04 4.82305168e-14 -1.39483378e-13] [-1.15995321e-13 4.36963163e-04 1.12480836e-05] [-8.10939857e-15 -4.36963163e-04 -1.12480835e-05] [ 3.50743740e-14 1.08191104e-05 -1.09791595e-04] [-1.63311205e-14 -1.08191104e-05 1.09791596e-04] [-1.49162994e-04 2.32870126e-05 2.30968630e-04] [-4.68756507e-04 1.17939539e-04 8.95434557e-05] [-4.68756507e-04 -1.17939540e-04 -8.95434558e-05] [-1.49162994e-04 -2.32870118e-05 -2.30968630e-04] [ 4.68756508e-04 -1.17939540e-04 -8.95434557e-05] [ 1.49162994e-04 -2.32870120e-05 -2.30968630e-04] [ 4.68756508e-04 1.17939539e-04 8.95434561e-05] [ 1.49162994e-04 2.32870123e-05 2.30968630e-04] [-1.49162994e-04 2.32870122e-05 2.30968629e-04] [-4.68756507e-04 1.17939540e-04 8.95434556e-05] [-4.68756508e-04 -1.17939539e-04 -8.95434560e-05] [-1.49162994e-04 -2.32870124e-05 -2.30968630e-04] [ 4.68756508e-04 -1.17939540e-04 -8.95434560e-05] [ 1.49162994e-04 -2.32870123e-05 -2.30968630e-04] [ 4.68756508e-04 1.17939540e-04 8.95434554e-05] [ 1.49162994e-04 2.32870123e-05 2.30968629e-04] [-1.11605170e-13 4.17166302e-14 6.46482867e-13] [-3.22577902e-13 9.45782549e-14 -1.10637392e-12] [-7.09321490e-13 -3.19713716e-04 -1.59584650e-04] [-7.18980431e-13 -2.88864307e-04 4.50311566e-04] [-1.51359827e-13 2.88864308e-04 -4.50311566e-04] [ 9.16124815e-14 3.19713717e-04 1.59584649e-04] [ 2.49208337e-04 -4.81629235e-04 2.49262693e-04] [ 2.49208336e-04 4.81629236e-04 -2.49262694e-04] [-2.49208337e-04 -4.81629235e-04 2.49262693e-04] [-2.49208336e-04 4.81629235e-04 -2.49262694e-04] [ 1.45280435e-04 -1.54540539e-05 -4.81794870e-04] [-1.45280435e-04 -1.54540544e-05 -4.81794871e-04] [ 1.45280435e-04 1.54540537e-05 4.81794871e-04] [-1.45280436e-04 1.54540546e-05 4.81794870e-04] [ 5.76659814e-13 -3.19713717e-04 -1.59584649e-04] [ 3.42974347e-13 -2.88864306e-04 4.50311566e-04] [-6.25107605e-14 2.88864307e-04 -4.50311566e-04] [ 7.10239159e-14 3.19713717e-04 1.59584650e-04] [ 2.49208337e-04 -4.81629235e-04 2.49262693e-04] [ 2.49208338e-04 4.81629235e-04 -2.49262692e-04] [-2.49208337e-04 -4.81629235e-04 2.49262693e-04] [-2.49208336e-04 4.81629235e-04 -2.49262694e-04] [ 1.45280435e-04 -1.54540540e-05 -4.81794870e-04] [-1.45280435e-04 -1.54540535e-05 -4.81794870e-04] [ 1.45280435e-04 1.54540532e-05 4.81794871e-04] [-1.45280434e-04 1.54540530e-05 4.81794871e-04]] Final stress: [ 1.45457362e-05 -1.32973748e-05 1.45505493e-05 -1.64333197e-05 4.98741454e-17 -2.57683085e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.33616997e-07 7.99403946e-14 1.59921555e-13] [ 2.33616962e-07 3.37230244e-14 7.05824288e-14] [-7.43658607e-14 -4.67907829e-04 -1.00969353e-04] [ 3.04756220e-14 4.67907830e-04 1.00969354e-04] [-5.35292297e-14 -1.01527013e-04 5.75517327e-07] [-3.21132010e-14 1.01527013e-04 -5.75517272e-07] [-2.33617208e-07 -2.04562929e-14 -1.29011592e-13] [ 2.33617294e-07 2.28818700e-14 -1.82379570e-14] [ 7.28258599e-14 -4.67907830e-04 -1.00969354e-04] [ 2.30718222e-15 4.67907829e-04 1.00969354e-04] [ 5.66122670e-14 -1.01527013e-04 5.75517362e-07] [-4.22131947e-14 1.01527013e-04 -5.75517562e-07] [ 1.28260096e-04 5.81103821e-05 -1.62653028e-04] [ 4.40336188e-04 -7.23677279e-05 -1.48704694e-04] [ 4.40336189e-04 7.23677280e-05 1.48704695e-04] [ 1.28260096e-04 -5.81103822e-05 1.62653027e-04] [-4.40336188e-04 7.23677279e-05 1.48704695e-04] [-1.28260096e-04 -5.81103822e-05 1.62653028e-04] [-4.40336188e-04 -7.23677279e-05 -1.48704694e-04] [-1.28260096e-04 5.81103821e-05 -1.62653027e-04] [ 1.28260096e-04 5.81103819e-05 -1.62653028e-04] [ 4.40336188e-04 -7.23677279e-05 -1.48704695e-04] [ 4.40336188e-04 7.23677280e-05 1.48704694e-04] [ 1.28260096e-04 -5.81103822e-05 1.62653027e-04] [-4.40336188e-04 7.23677281e-05 1.48704694e-04] [-1.28260096e-04 -5.81103823e-05 1.62653027e-04] [-4.40336189e-04 -7.23677278e-05 -1.48704695e-04] [-1.28260096e-04 5.81103819e-05 -1.62653028e-04] [-8.04911693e-14 -2.09471329e-13 5.26939603e-13] [ 6.71051756e-14 5.92256018e-13 2.92516583e-14] [-1.99285033e-13 3.13362176e-04 2.92673082e-04] [-8.82696694e-14 4.02164445e-04 -4.22081757e-04] [-3.62546798e-13 -4.02164445e-04 4.22081757e-04] [-4.66533062e-13 -3.13362176e-04 -2.92673081e-04] [-2.47055748e-04 3.49607073e-04 -2.46987652e-04] [-2.47055749e-04 -3.49607073e-04 2.46987652e-04] [ 2.47055747e-04 3.49607073e-04 -2.46987653e-04] [ 2.47055748e-04 -3.49607073e-04 2.46987653e-04] [-6.47990446e-05 -4.44283729e-05 3.49570677e-04] [ 6.47990442e-05 -4.44283732e-05 3.49570677e-04] [-6.47990443e-05 4.44283729e-05 -3.49570678e-04] [ 6.47990442e-05 4.44283731e-05 -3.49570677e-04] [ 1.07124812e-13 3.13362176e-04 2.92673081e-04] [ 7.60541803e-14 4.02164445e-04 -4.22081757e-04] [ 2.89922166e-13 -4.02164445e-04 4.22081757e-04] [ 3.97022259e-13 -3.13362177e-04 -2.92673081e-04] [-2.47055748e-04 3.49607072e-04 -2.46987653e-04] [-2.47055748e-04 -3.49607072e-04 2.46987652e-04] [ 2.47055749e-04 3.49607072e-04 -2.46987652e-04] [ 2.47055748e-04 -3.49607073e-04 2.46987652e-04] [-6.47990439e-05 -4.44283735e-05 3.49570677e-04] [ 6.47990447e-05 -4.44283726e-05 3.49570677e-04] [-6.47990432e-05 4.44283739e-05 -3.49570677e-04] [ 6.47990442e-05 4.44283728e-05 -3.49570678e-04]] Final stress: [-1.50213766e-05 1.29238642e-05 -1.50164744e-05 1.54213198e-05 1.29681992e-16 -8.31294822e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.33620667e-07 4.98902135e-14 1.15897743e-13] [ 2.33620580e-07 -6.17006446e-14 2.24847918e-13] [ 4.02113239e-14 -4.67907831e-04 1.00969347e-04] [ 1.16323617e-13 4.67907831e-04 -1.00969347e-04] [ 7.63490833e-14 1.01527006e-04 5.75514217e-07] [ 3.27793348e-14 -1.01527006e-04 -5.75514842e-07] [-2.33619809e-07 -8.49745621e-14 -7.96738669e-14] [ 2.33620264e-07 4.29634626e-14 -1.23669330e-13] [ 7.56699391e-14 -4.67907832e-04 1.00969347e-04] [-3.70124938e-14 4.67907831e-04 -1.00969347e-04] [ 3.04587085e-14 1.01527006e-04 5.75514622e-07] [ 1.05410472e-14 -1.01527006e-04 -5.75514044e-07] [-4.40336193e-04 7.23677299e-05 -1.48704693e-04] [-1.28260102e-04 -5.81103818e-05 -1.62653028e-04] [-1.28260101e-04 5.81103817e-05 1.62653029e-04] [-4.40336193e-04 -7.23677296e-05 1.48704693e-04] [ 1.28260101e-04 5.81103817e-05 1.62653029e-04] [ 4.40336193e-04 -7.23677294e-05 1.48704693e-04] [ 1.28260102e-04 -5.81103821e-05 -1.62653028e-04] [ 4.40336193e-04 7.23677296e-05 -1.48704693e-04] [-4.40336193e-04 7.23677295e-05 -1.48704693e-04] [-1.28260101e-04 -5.81103818e-05 -1.62653028e-04] [-1.28260101e-04 5.81103822e-05 1.62653028e-04] [-4.40336193e-04 -7.23677298e-05 1.48704693e-04] [ 1.28260101e-04 5.81103823e-05 1.62653028e-04] [ 4.40336193e-04 -7.23677299e-05 1.48704693e-04] [ 1.28260101e-04 -5.81103817e-05 -1.62653029e-04] [ 4.40336193e-04 7.23677296e-05 -1.48704693e-04] [ 2.92516011e-13 -2.16243690e-13 8.16985368e-13] [-3.32179163e-13 6.59200887e-13 -8.39689362e-13] [ 5.87307980e-14 -4.02164446e-04 -4.22081754e-04] [-1.11527107e-13 -3.13362176e-04 2.92673085e-04] [ 1.02619302e-13 3.13362175e-04 -2.92673085e-04] [-3.46632445e-13 4.02164447e-04 4.22081754e-04] [-2.47055747e-04 -3.49607072e-04 -2.46987651e-04] [-2.47055747e-04 3.49607072e-04 2.46987651e-04] [ 2.47055747e-04 -3.49607072e-04 -2.46987652e-04] [ 2.47055747e-04 3.49607072e-04 2.46987652e-04] [-6.47990418e-05 -4.44283734e-05 -3.49570677e-04] [ 6.47990418e-05 -4.44283735e-05 -3.49570676e-04] [-6.47990408e-05 4.44283743e-05 3.49570677e-04] [ 6.47990406e-05 4.44283745e-05 3.49570677e-04] [ 2.62680936e-13 -4.02164446e-04 -4.22081754e-04] [ 3.83929867e-13 -3.13362177e-04 2.92673084e-04] [ 3.85689744e-14 3.13362175e-04 -2.92673086e-04] [ 1.21157424e-13 4.02164446e-04 4.22081754e-04] [-2.47055747e-04 -3.49607072e-04 -2.46987651e-04] [-2.47055747e-04 3.49607071e-04 2.46987652e-04] [ 2.47055748e-04 -3.49607073e-04 -2.46987651e-04] [ 2.47055747e-04 3.49607072e-04 2.46987652e-04] [-6.47990408e-05 -4.44283746e-05 -3.49570676e-04] [ 6.47990413e-05 -4.44283739e-05 -3.49570676e-04] [-6.47990411e-05 4.44283743e-05 3.49570677e-04] [ 6.47990411e-05 4.44283743e-05 3.49570677e-04]] Final stress: [-1.50213766e-05 1.29238642e-05 -1.50164744e-05 -1.54213198e-05 8.14668926e-17 7.31539444e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.44707269e-06 -3.71989765e-14 -9.67482048e-05] [-5.44707327e-06 8.36830605e-14 9.67482046e-05] [ 1.48984991e-13 4.69605110e-04 1.21938484e-13] [ 3.03368441e-14 -4.69605110e-04 6.04793993e-14] [-9.67482048e-05 -2.66874196e-14 5.44707286e-06] [ 9.67482047e-05 4.80171458e-15 -5.44707350e-06] [ 5.44707337e-06 6.41730592e-14 -9.67482044e-05] [-5.44707258e-06 -9.94811872e-14 9.67482047e-05] [-1.71025086e-13 4.69605110e-04 -1.37036772e-13] [-4.74225693e-14 -4.69605110e-04 -1.71716042e-13] [-9.67482045e-05 -3.06034006e-14 5.44707330e-06] [ 9.67482045e-05 1.21020897e-14 -5.44707237e-06] [ 1.47392937e-04 2.22033846e-04 1.47392937e-04] [-1.58358256e-04 3.59564166e-04 1.58358255e-04] [-1.47392936e-04 2.22033845e-04 -1.47392936e-04] [ 1.58358255e-04 3.59564166e-04 -1.58358255e-04] [ 1.58358255e-04 -3.59564166e-04 -1.58358256e-04] [-1.47392936e-04 -2.22033845e-04 -1.47392936e-04] [ 1.47392937e-04 -2.22033846e-04 1.47392936e-04] [-1.58358256e-04 -3.59564166e-04 1.58358256e-04] [ 1.47392936e-04 2.22033845e-04 1.47392936e-04] [-1.58358255e-04 3.59564166e-04 1.58358256e-04] [-1.47392937e-04 2.22033845e-04 -1.47392937e-04] [ 1.58358256e-04 3.59564166e-04 -1.58358255e-04] [ 1.58358256e-04 -3.59564166e-04 -1.58358255e-04] [-1.47392937e-04 -2.22033846e-04 -1.47392937e-04] [ 1.47392936e-04 -2.22033845e-04 1.47392936e-04] [-1.58358255e-04 -3.59564166e-04 1.58358256e-04] [ 8.52373727e-13 1.99840144e-14 8.88955576e-13] [-7.55617791e-13 -1.28811586e-13 -1.07156707e-12] [ 3.44162413e-04 4.02465601e-05 6.21951649e-05] [ 3.44162413e-04 -4.02465614e-05 6.21951633e-05] [-3.44162414e-04 4.02465596e-05 -6.21951652e-05] [-3.44162414e-04 -4.02465608e-05 -6.21951639e-05] [ 6.06777399e-04 -3.37063710e-13 6.06777400e-04] [-1.17452330e-04 -6.47086551e-14 1.17452330e-04] [ 1.17452329e-04 -7.42666345e-13 -1.17452331e-04] [-6.06777400e-04 -9.93736343e-14 -6.06777398e-04] [ 6.21951633e-05 4.02465618e-05 3.44162414e-04] [-6.21951640e-05 4.02465609e-05 -3.44162413e-04] [ 6.21951623e-05 -4.02465625e-05 3.44162413e-04] [-6.21951636e-05 -4.02465611e-05 -3.44162414e-04] [ 3.44162414e-04 4.02465616e-05 6.21951633e-05] [ 3.44162414e-04 -4.02465619e-05 6.21951633e-05] [-3.44162413e-04 4.02465616e-05 -6.21951630e-05] [-3.44162413e-04 -4.02465605e-05 -6.21951641e-05] [ 6.06777399e-04 2.07005968e-13 6.06777399e-04] [-1.17452330e-04 2.93720560e-13 1.17452330e-04] [ 1.17452332e-04 6.54712829e-13 -1.17452329e-04] [-6.06777399e-04 6.03396673e-13 -6.06777400e-04] [ 6.21951639e-05 4.02465606e-05 3.44162414e-04] [-6.21951630e-05 4.02465617e-05 -3.44162414e-04] [ 6.21951654e-05 -4.02465593e-05 3.44162414e-04] [-6.21951640e-05 -4.02465606e-05 -3.44162414e-04]] Final stress: [ 1.48242277e-05 -1.31713765e-05 1.48242277e-05 -7.31487466e-17 1.54598890e-05 7.81361612e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.14214865e-05 -6.99739745e-14 8.53241630e-05] [ 6.14214864e-05 -6.48647802e-14 -8.53241630e-05] [-6.61927110e-15 4.46143459e-04 -6.73107403e-14] [-3.97182287e-14 -4.46143459e-04 9.72832925e-14] [ 8.53241632e-05 2.92665198e-14 -6.14214867e-05] [-8.53241632e-05 -1.19793064e-13 6.14214865e-05] [-6.14214863e-05 -5.37356618e-14 8.53241632e-05] [ 6.14214867e-05 9.74485249e-14 -8.53241633e-05] [-6.20766459e-14 4.46143459e-04 5.79546811e-14] [-1.20923237e-14 -4.46143459e-04 -6.04990407e-14] [ 8.53241630e-05 -8.78880866e-14 -6.14214862e-05] [-8.53241630e-05 5.03823389e-14 6.14214867e-05] [ 1.88885184e-04 -3.34847645e-04 1.88885184e-04] [-1.26164276e-04 -2.23848173e-04 1.26164276e-04] [-1.88885183e-04 -3.34847645e-04 -1.88885184e-04] [ 1.26164276e-04 -2.23848173e-04 -1.26164276e-04] [ 1.26164276e-04 2.23848173e-04 -1.26164276e-04] [-1.88885184e-04 3.34847645e-04 -1.88885184e-04] [ 1.88885184e-04 3.34847644e-04 1.88885184e-04] [-1.26164276e-04 2.23848173e-04 1.26164276e-04] [ 1.88885184e-04 -3.34847645e-04 1.88885183e-04] [-1.26164276e-04 -2.23848173e-04 1.26164276e-04] [-1.88885184e-04 -3.34847645e-04 -1.88885184e-04] [ 1.26164276e-04 -2.23848173e-04 -1.26164276e-04] [ 1.26164276e-04 2.23848173e-04 -1.26164276e-04] [-1.88885184e-04 3.34847645e-04 -1.88885183e-04] [ 1.88885184e-04 3.34847645e-04 1.88885183e-04] [-1.26164276e-04 2.23848173e-04 1.26164276e-04] [ 4.78506124e-14 8.53206394e-14 1.15490950e-13] [-3.40262974e-13 6.98217393e-14 -6.48178122e-13] [-4.12036900e-04 6.13059651e-06 1.18033230e-04] [-4.12036901e-04 -6.13059707e-06 1.18033229e-04] [ 4.12036901e-04 6.13059627e-06 -1.18033230e-04] [ 4.12036900e-04 -6.13059748e-06 -1.18033228e-04] [-8.19607763e-05 -7.31525951e-13 -8.19607778e-05] [ 5.85498743e-04 -1.45142579e-13 -5.85498741e-04] [-5.85498742e-04 -3.13702189e-13 5.85498741e-04] [ 8.19607765e-05 1.81493709e-13 8.19607775e-05] [ 1.18033228e-04 6.13059763e-06 -4.12036899e-04] [-1.18033228e-04 6.13059761e-06 4.12036900e-04] [ 1.18033227e-04 -6.13059788e-06 -4.12036900e-04] [-1.18033227e-04 -6.13059830e-06 4.12036900e-04] [-4.12036900e-04 6.13059825e-06 1.18033228e-04] [-4.12036900e-04 -6.13059845e-06 1.18033228e-04] [ 4.12036900e-04 6.13059828e-06 -1.18033228e-04] [ 4.12036900e-04 -6.13059718e-06 -1.18033229e-04] [-8.19607775e-05 7.12199189e-13 -8.19607764e-05] [ 5.85498741e-04 2.08651672e-13 -5.85498742e-04] [-5.85498742e-04 7.05520278e-13 5.85498742e-04] [ 8.19607782e-05 7.67524065e-14 8.19607758e-05] [ 1.18033229e-04 6.13059696e-06 -4.12036900e-04] [-1.18033229e-04 6.13059725e-06 4.12036900e-04] [ 1.18033229e-04 -6.13059664e-06 -4.12036900e-04] [-1.18033230e-04 -6.13059587e-06 4.12036900e-04]] Final stress: [ 1.45660670e-05 -1.32980209e-05 1.45660670e-05 -1.09723120e-16 -1.56275832e-05 -8.64485188e-17] Minimization converged after 33 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.87260666e-05 -7.13151330e-05 3.71222150e-14] [-1.87260670e-05 7.13151329e-05 4.12447854e-14] [-7.18781514e-05 4.76097754e-04 5.13491159e-14] [ 7.18781512e-05 -4.76097754e-04 -7.73547892e-14] [-7.41529234e-14 3.40075190e-14 1.79107903e-05] [-1.74804615e-13 7.33024752e-14 -1.79107907e-05] [ 1.87260666e-05 -7.13151330e-05 -7.03522112e-14] [-1.87260664e-05 7.13151331e-05 -8.70346289e-14] [-7.18781513e-05 4.76097754e-04 -9.00841400e-14] [ 7.18781513e-05 -4.76097754e-04 2.43256777e-14] [ 9.19576915e-15 3.02677437e-14 1.79107905e-05] [ 3.01252079e-14 -6.60527816e-14 -1.79107906e-05] [ 1.42432744e-04 -8.02675408e-05 4.59238818e-04] [-1.42432744e-04 8.02675408e-05 4.59238818e-04] [-1.60781327e-04 -6.21752260e-05 1.56751915e-04] [ 1.60781327e-04 6.21752259e-05 1.56751915e-04] [ 1.42432744e-04 -8.02675408e-05 -4.59238818e-04] [-1.42432744e-04 8.02675409e-05 -4.59238818e-04] [ 1.60781327e-04 6.21752259e-05 -1.56751915e-04] [-1.60781327e-04 -6.21752256e-05 -1.56751915e-04] [ 1.42432744e-04 -8.02675411e-05 4.59238818e-04] [-1.42432744e-04 8.02675409e-05 4.59238818e-04] [-1.60781327e-04 -6.21752257e-05 1.56751915e-04] [ 1.60781327e-04 6.21752259e-05 1.56751915e-04] [ 1.42432744e-04 -8.02675408e-05 -4.59238818e-04] [-1.42432744e-04 8.02675407e-05 -4.59238818e-04] [ 1.60781327e-04 6.21752259e-05 -1.56751915e-04] [-1.60781327e-04 -6.21752259e-05 -1.56751915e-04] [ 2.86271007e-13 1.04194431e-13 6.01185768e-13] [-1.88364081e-13 1.49845970e-13 -1.49190786e-13] [ 3.39684854e-04 2.94084612e-05 6.39812832e-05] [-3.39684854e-04 -2.94084612e-05 6.39812834e-05] [ 3.39684854e-04 2.94084615e-05 -6.39812829e-05] [-3.39684854e-04 -2.94084603e-05 -6.39812841e-05] [ 2.41443312e-04 3.39645061e-04 2.41376339e-04] [ 2.41443311e-04 3.39645061e-04 -2.41376339e-04] [-2.41443312e-04 -3.39645061e-04 2.41376339e-04] [-2.41443311e-04 -3.39645062e-04 -2.41376339e-04] [ 4.28526217e-04 3.93508980e-04 -3.39062112e-13] [ 3.00357155e-04 -3.34617675e-04 -2.89438612e-14] [-3.00357155e-04 3.34617675e-04 4.19967880e-13] [-4.28526217e-04 -3.93508981e-04 -5.85712034e-14] [ 3.39684854e-04 2.94084607e-05 6.39812834e-05] [-3.39684854e-04 -2.94084599e-05 6.39812841e-05] [ 3.39684854e-04 2.94084610e-05 -6.39812834e-05] [-3.39684854e-04 -2.94084608e-05 -6.39812836e-05] [ 2.41443311e-04 3.39645061e-04 2.41376339e-04] [ 2.41443312e-04 3.39645061e-04 -2.41376339e-04] [-2.41443312e-04 -3.39645062e-04 2.41376339e-04] [-2.41443311e-04 -3.39645061e-04 -2.41376339e-04] [ 4.28526217e-04 3.93508980e-04 2.98957309e-13] [ 3.00357155e-04 -3.34617675e-04 6.47335274e-13] [-3.00357155e-04 3.34617675e-04 -1.23655809e-13] [-4.28526216e-04 -3.93508981e-04 6.50768502e-14]] Final stress: [ 1.49085684e-05 -1.30486517e-05 1.49031883e-05 5.31990885e-17 -5.81865030e-17 1.57018867e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-9.31098999e-06 6.69119064e-05 7.95765363e-14] [ 9.31098907e-06 -6.69119065e-05 2.50355292e-14] [ 6.74505695e-05 4.63975387e-04 5.63368796e-14] [-6.74505693e-05 -4.63975386e-04 1.29618538e-14] [ 1.45699425e-13 -3.68368530e-15 -1.01555056e-05] [ 1.92623695e-14 7.19146964e-14 1.01555051e-05] [-9.31098919e-06 6.69119067e-05 2.27770336e-15] [ 9.31098936e-06 -6.69119067e-05 1.99292252e-14] [ 6.74505694e-05 4.63975386e-04 -9.93403437e-15] [-6.74505696e-05 -4.63975387e-04 4.31568450e-14] [-1.62429098e-13 1.77067984e-14 -1.01555052e-05] [-1.04309790e-13 -8.07542361e-14 1.01555053e-05] [ 1.73532504e-04 -4.49116381e-05 -1.49266478e-04] [-1.73532504e-04 4.49116383e-05 -1.49266478e-04] [-1.33171500e-04 -8.50089017e-05 -4.55209462e-04] [ 1.33171501e-04 8.50089015e-05 -4.55209462e-04] [ 1.73532504e-04 -4.49116382e-05 1.49266478e-04] [-1.73532504e-04 4.49116384e-05 1.49266478e-04] [ 1.33171501e-04 8.50089014e-05 4.55209462e-04] [-1.33171501e-04 -8.50089015e-05 4.55209462e-04] [ 1.73532504e-04 -4.49116383e-05 -1.49266478e-04] [-1.73532504e-04 4.49116381e-05 -1.49266478e-04] [-1.33171501e-04 -8.50089011e-05 -4.55209462e-04] [ 1.33171500e-04 8.50089016e-05 -4.55209462e-04] [ 1.73532504e-04 -4.49116383e-05 1.49266478e-04] [-1.73532504e-04 4.49116380e-05 1.49266478e-04] [ 1.33171500e-04 8.50089017e-05 4.55209462e-04] [-1.33171501e-04 -8.50089011e-05 4.55209462e-04] [ 1.19218524e-12 -6.83314516e-13 1.96287431e-13] [-4.04632491e-13 4.56307151e-13 -1.11810990e-13] [-3.68219234e-04 -5.91378720e-06 1.07638889e-04] [ 3.68219233e-04 5.91378653e-06 1.07638889e-04] [-3.68219234e-04 -5.91378658e-06 -1.07638889e-04] [ 3.68219233e-04 5.91378674e-06 -1.07638889e-04] [ 2.45769024e-04 -3.68149013e-04 2.45698681e-04] [ 2.45769024e-04 -3.68149013e-04 -2.45698681e-04] [-2.45769025e-04 3.68149013e-04 2.45698680e-04] [-2.45769024e-04 3.68149013e-04 -2.45698680e-04] [-2.44366125e-04 -3.57525922e-04 -2.17159624e-13] [-4.59847107e-04 3.45762523e-04 7.20083715e-14] [ 4.59847107e-04 -3.45762524e-04 5.37764278e-14] [ 2.44366125e-04 3.57525923e-04 8.20836454e-14] [-3.68219233e-04 -5.91378657e-06 1.07638889e-04] [ 3.68219234e-04 5.91378671e-06 1.07638889e-04] [-3.68219233e-04 -5.91378642e-06 -1.07638889e-04] [ 3.68219234e-04 5.91378617e-06 -1.07638889e-04] [ 2.45769024e-04 -3.68149013e-04 2.45698680e-04] [ 2.45769024e-04 -3.68149013e-04 -2.45698681e-04] [-2.45769024e-04 3.68149013e-04 2.45698681e-04] [-2.45769024e-04 3.68149013e-04 -2.45698681e-04] [-2.44366124e-04 -3.57525923e-04 4.11519382e-13] [-4.59847106e-04 3.45762524e-04 4.24199762e-13] [ 4.59847107e-04 -3.45762523e-04 5.29580991e-14] [ 2.44366125e-04 3.57525923e-04 -1.80703109e-13]] Final stress: [ 1.47569251e-05 -1.30273165e-05 1.47517358e-05 7.97986327e-17 1.11385591e-16 -1.57671246e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.75518752e-07 -1.01527001e-04 -2.93584601e-14] [-5.75519302e-07 1.01527001e-04 7.22755189e-14] [-1.00969342e-04 -4.67907833e-04 -2.08257890e-14] [ 1.00969342e-04 4.67907833e-04 8.33777491e-14] [ 3.87819117e-14 8.95134661e-14 -2.33615317e-07] [ 5.50948176e-14 -9.49240686e-15 2.33615178e-07] [ 5.75519334e-07 -1.01527002e-04 5.13380435e-14] [-5.75518996e-07 1.01527002e-04 -3.43380046e-14] [-1.00969342e-04 -4.67907833e-04 -1.96541459e-14] [ 1.00969342e-04 4.67907833e-04 -4.15694294e-14] [-3.63246759e-14 -6.40454250e-14 -2.33616140e-07] [-1.76586176e-14 -2.93675705e-14 2.33615807e-07] [-1.62653032e-04 5.81103791e-05 1.28260103e-04] [ 1.62653031e-04 -5.81103789e-05 1.28260103e-04] [ 1.48704691e-04 7.23677327e-05 4.40336196e-04] [-1.48704691e-04 -7.23677327e-05 4.40336196e-04] [-1.62653031e-04 5.81103791e-05 -1.28260103e-04] [ 1.62653032e-04 -5.81103790e-05 -1.28260103e-04] [-1.48704691e-04 -7.23677327e-05 -4.40336196e-04] [ 1.48704691e-04 7.23677325e-05 -4.40336196e-04] [-1.62653032e-04 5.81103788e-05 1.28260103e-04] [ 1.62653032e-04 -5.81103791e-05 1.28260103e-04] [ 1.48704691e-04 7.23677325e-05 4.40336196e-04] [-1.48704691e-04 -7.23677324e-05 4.40336196e-04] [-1.62653032e-04 5.81103788e-05 -1.28260103e-04] [ 1.62653032e-04 -5.81103791e-05 -1.28260103e-04] [-1.48704691e-04 -7.23677324e-05 -4.40336196e-04] [ 1.48704691e-04 7.23677325e-05 -4.40336196e-04] [ 8.11628542e-13 1.46688217e-13 1.88904448e-13] [-4.38322122e-13 9.61579716e-14 2.28841309e-13] [ 3.49570683e-04 -4.44283959e-05 -6.47990210e-05] [-3.49570683e-04 4.44283962e-05 -6.47990208e-05] [ 3.49570683e-04 -4.44283961e-05 6.47990210e-05] [-3.49570682e-04 4.44283959e-05 6.47990211e-05] [-2.46987651e-04 3.49607078e-04 -2.47055745e-04] [-2.46987651e-04 3.49607078e-04 2.47055745e-04] [ 2.46987651e-04 -3.49607078e-04 -2.47055745e-04] [ 2.46987651e-04 -3.49607078e-04 2.47055745e-04] [ 2.92673104e-04 3.13362152e-04 2.23043806e-13] [ 4.22081732e-04 -4.02164466e-04 9.02038860e-14] [-4.22081730e-04 4.02164468e-04 2.33793887e-13] [-2.92673104e-04 -3.13362151e-04 1.33736772e-13] [ 3.49570682e-04 -4.44283971e-05 -6.47990198e-05] [-3.49570682e-04 4.44283963e-05 -6.47990205e-05] [ 3.49570682e-04 -4.44283975e-05 6.47990195e-05] [-3.49570682e-04 4.44283965e-05 6.47990204e-05] [-2.46987650e-04 3.49607078e-04 -2.47055746e-04] [-2.46987650e-04 3.49607077e-04 2.47055746e-04] [ 2.46987649e-04 -3.49607078e-04 -2.47055746e-04] [ 2.46987650e-04 -3.49607078e-04 2.47055746e-04] [ 2.92673103e-04 3.13362152e-04 -1.50439634e-13] [ 4.22081733e-04 -4.02164466e-04 -2.09435784e-13] [-4.22081732e-04 4.02164466e-04 2.59210635e-13] [-2.92673103e-04 -3.13362152e-04 -1.16722604e-13]] Final stress: [-1.50164745e-05 1.29238643e-05 -1.50213767e-05 -6.15158168e-17 -6.65035858e-18 1.54213199e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.75522806e-07 1.01527009e-04 3.94176879e-14] [-5.75522743e-07 -1.01527009e-04 8.37108161e-14] [ 1.00969350e-04 -4.67907830e-04 1.61637197e-13] [-1.00969350e-04 4.67907831e-04 1.15657484e-13] [ 4.80995452e-15 -1.24151123e-13 -2.33612002e-07] [ 2.93653990e-14 -7.84372567e-14 2.33611979e-07] [ 5.75522358e-07 1.01527009e-04 -2.67965775e-14] [-5.75522619e-07 -1.01527009e-04 5.46142608e-14] [ 1.00969350e-04 -4.67907831e-04 -1.18022323e-13] [-1.00969350e-04 4.67907830e-04 -8.90714209e-14] [ 7.61109925e-15 1.53705667e-13 -2.33611932e-07] [ 1.52924548e-14 1.30170290e-13 2.33611958e-07] [-1.48704693e-04 7.23677304e-05 -4.40336191e-04] [ 1.48704692e-04 -7.23677304e-05 -4.40336190e-04] [ 1.62653031e-04 5.81103793e-05 -1.28260097e-04] [-1.62653031e-04 -5.81103796e-05 -1.28260097e-04] [-1.48704693e-04 7.23677302e-05 4.40336191e-04] [ 1.48704692e-04 -7.23677305e-05 4.40336191e-04] [-1.62653030e-04 -5.81103794e-05 1.28260097e-04] [ 1.62653031e-04 5.81103793e-05 1.28260097e-04] [-1.48704692e-04 7.23677306e-05 -4.40336191e-04] [ 1.48704693e-04 -7.23677302e-05 -4.40336191e-04] [ 1.62653030e-04 5.81103793e-05 -1.28260097e-04] [-1.62653031e-04 -5.81103794e-05 -1.28260097e-04] [-1.48704692e-04 7.23677305e-05 4.40336191e-04] [ 1.48704693e-04 -7.23677303e-05 4.40336191e-04] [-1.62653031e-04 -5.81103793e-05 1.28260097e-04] [ 1.62653031e-04 5.81103794e-05 1.28260097e-04] [ 1.17933441e-13 -3.80584453e-13 3.61599639e-13] [ 3.45799778e-14 7.66568545e-13 -2.04051173e-13] [-3.49570683e-04 -4.44283938e-05 -6.47990254e-05] [ 3.49570684e-04 4.44283947e-05 -6.47990246e-05] [-3.49570683e-04 -4.44283943e-05 6.47990252e-05] [ 3.49570684e-04 4.44283953e-05 6.47990243e-05] [-2.46987652e-04 -3.49607078e-04 -2.47055746e-04] [-2.46987651e-04 -3.49607078e-04 2.47055747e-04] [ 2.46987652e-04 3.49607079e-04 -2.47055746e-04] [ 2.46987652e-04 3.49607079e-04 2.47055746e-04] [-4.22081736e-04 -4.02164465e-04 2.46913601e-13] [-2.92673099e-04 3.13362153e-04 4.04660680e-13] [ 2.92673100e-04 -3.13362152e-04 -1.02544709e-13] [ 4.22081735e-04 4.02164465e-04 1.30874478e-13] [-3.49570683e-04 -4.44283955e-05 -6.47990241e-05] [ 3.49570683e-04 4.44283945e-05 -6.47990250e-05] [-3.49570683e-04 -4.44283959e-05 6.47990239e-05] [ 3.49570683e-04 4.44283958e-05 6.47990240e-05] [-2.46987652e-04 -3.49607079e-04 -2.47055747e-04] [-2.46987651e-04 -3.49607079e-04 2.47055747e-04] [ 2.46987652e-04 3.49607078e-04 -2.47055747e-04] [ 2.46987651e-04 3.49607078e-04 2.47055747e-04] [-4.22081736e-04 -4.02164464e-04 1.50947502e-13] [-2.92673099e-04 3.13362152e-04 -1.46329943e-13] [ 2.92673098e-04 -3.13362153e-04 8.61271029e-14] [ 4.22081737e-04 4.02164464e-04 -1.57907975e-13]] Final stress: [-1.50164744e-05 1.29238643e-05 -1.50213766e-05 -1.16381275e-16 -7.64791236e-17 -1.54213198e-05] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-6.61005852e-03 -5.44481994e-13 -2.14873692e-13] [ 6.61005852e-03 -3.12860848e-13 -8.37663272e-14] [ 4.53539550e-13 -6.61005852e-03 1.51578403e-13] [ 3.04867243e-13 6.61005852e-03 -6.01463324e-14] [ 1.07583647e-13 -1.21653555e-13 -9.79220129e-03] [ 7.71605002e-15 -4.25465219e-13 9.79220129e-03] [-6.61005852e-03 -3.90753402e-13 4.37429101e-15] [ 6.61005852e-03 -9.60728892e-14 8.27432705e-14] [-2.78725393e-13 -6.61005852e-03 1.39615057e-14] [ 1.58551557e-13 6.61005852e-03 1.66648531e-14] [ 1.24277758e-13 -1.68264426e-13 -9.79220129e-03] [-1.95321623e-13 -1.78331565e-13 9.79220129e-03] [-3.19538923e-03 -3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 -3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 -3.19538923e-03 -2.13738826e-03] [ 3.19538923e-03 3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 -3.19538923e-03 2.13738826e-03] [-3.19538923e-03 -3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 -3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 -3.19538923e-03 -2.13738826e-03] [ 3.19538923e-03 3.19538923e-03 -2.13738826e-03] [-3.19538923e-03 3.19538923e-03 2.13738826e-03] [ 3.19538923e-03 -3.19538923e-03 2.13738826e-03] [-1.08885123e-13 2.60264033e-13 -3.78724829e-13] [-2.93137910e-14 1.56412296e-13 -4.07528028e-14] [ 6.22835117e-14 -1.08546578e-03 -1.88358689e-03] [ 1.44308177e-13 1.08546578e-03 -1.88358689e-03] [ 1.01460507e-13 -1.08546578e-03 1.88358689e-03] [-8.96695912e-14 1.08546579e-03 1.88358690e-03] [-1.08546579e-03 4.59632332e-13 -1.88358689e-03] [-1.08546579e-03 7.36424810e-14 1.88358689e-03] [ 1.08546579e-03 2.40606146e-13 -1.88358689e-03] [ 1.08546579e-03 3.13561677e-13 1.88358689e-03] [-7.19941946e-03 -7.19941946e-03 -9.99200722e-14] [ 7.19941946e-03 -7.19941946e-03 2.75902565e-13] [-7.19941946e-03 7.19941946e-03 -5.18508847e-14] [ 7.19941946e-03 7.19941946e-03 1.52074534e-13] [ 7.33354349e-14 -1.08546579e-03 -1.88358689e-03] [-1.89869821e-14 1.08546579e-03 -1.88358689e-03] [-3.02857999e-13 -1.08546579e-03 1.88358689e-03] [-1.11714891e-13 1.08546579e-03 1.88358689e-03] [-1.08546579e-03 2.59477335e-13 -1.88358689e-03] [-1.08546578e-03 3.79448426e-13 1.88358689e-03] [ 1.08546578e-03 7.11528059e-13 -1.88358689e-03] [ 1.08546578e-03 4.79370450e-13 1.88358689e-03] [-7.19941946e-03 -7.19941946e-03 -4.31431012e-13] [ 7.19941946e-03 -7.19941946e-03 -5.16190379e-13] [-7.19941946e-03 7.19941946e-03 -2.60652367e-13] [ 7.19941946e-03 7.19941946e-03 -2.78489905e-13]] Final stress: [-4.54354592e-05 -4.54354592e-05 3.64995908e-04 2.66023794e-16 2.04505792e-16 -8.94505008e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.59754319e-05 -8.27332994e-14 -1.13976103e-13] [-1.59754321e-05 -5.84254867e-14 -9.53404022e-14] [ 7.85790703e-14 1.67867772e-05 -8.14886805e-05] [-3.02535774e-15 -1.67867771e-05 8.14886806e-05] [-1.86660583e-14 -8.20586296e-05 4.73523603e-04] [ 1.09912079e-14 8.20586296e-05 -4.73523603e-04] [ 1.59754323e-05 3.24480026e-14 4.64069941e-14] [-1.59754321e-05 3.79600865e-14 -5.50875911e-16] [ 1.17961196e-14 1.67867774e-05 -8.14886804e-05] [ 2.76701405e-14 -1.67867772e-05 8.14886803e-05] [-4.89981319e-14 -8.20586296e-05 4.73523603e-04] [ 4.39813116e-14 8.20586296e-05 -4.73523603e-04] [ 4.52593349e-04 1.45033385e-04 -7.69010904e-05] [ 1.49826670e-04 -1.58452521e-04 -6.37573417e-05] [ 1.49826670e-04 1.58452521e-04 6.37573418e-05] [ 4.52593349e-04 -1.45033385e-04 7.69010903e-05] [-1.49826670e-04 1.58452521e-04 6.37573418e-05] [-4.52593349e-04 -1.45033385e-04 7.69010903e-05] [-1.49826670e-04 -1.58452521e-04 -6.37573417e-05] [-4.52593349e-04 1.45033385e-04 -7.69010905e-05] [ 4.52593349e-04 1.45033386e-04 -7.69010904e-05] [ 1.49826670e-04 -1.58452521e-04 -6.37573416e-05] [ 1.49826670e-04 1.58452521e-04 6.37573417e-05] [ 4.52593349e-04 -1.45033385e-04 7.69010903e-05] [-1.49826670e-04 1.58452521e-04 6.37573417e-05] [-4.52593349e-04 -1.45033385e-04 7.69010902e-05] [-1.49826670e-04 -1.58452521e-04 -6.37573418e-05] [-4.52593349e-04 1.45033386e-04 -7.69010901e-05] [ 2.22266650e-13 -3.57575081e-13 3.74700271e-15] [ 4.57676431e-14 9.57147924e-14 1.21737306e-13] [-5.70210545e-13 4.38482993e-04 3.86269879e-04] [-8.36164471e-13 2.91147861e-04 -3.42595730e-04] [-4.17769985e-13 -2.91147862e-04 3.42595730e-04] [-2.33925726e-13 -4.38482995e-04 -3.86269879e-04] [ 7.35629579e-05 3.38348951e-04 2.18020304e-05] [ 7.35629572e-05 -3.38348952e-04 -2.18020307e-05] [-7.35629588e-05 3.38348951e-04 2.18020292e-05] [-7.35629581e-05 -3.38348952e-04 -2.18020297e-05] [ 2.43128691e-04 2.43199157e-04 3.38312098e-04] [-2.43128692e-04 2.43199156e-04 3.38312097e-04] [ 2.43128691e-04 -2.43199157e-04 -3.38312097e-04] [-2.43128691e-04 -2.43199157e-04 -3.38312097e-04] [ 2.49717781e-13 4.38482995e-04 3.86269878e-04] [ 3.83310571e-13 2.91147861e-04 -3.42595731e-04] [ 2.50082507e-13 -2.91147860e-04 3.42595732e-04] [ 3.20001838e-13 -4.38482995e-04 -3.86269878e-04] [ 7.35629573e-05 3.38348952e-04 2.18020307e-05] [ 7.35629572e-05 -3.38348952e-04 -2.18020309e-05] [-7.35629572e-05 3.38348952e-04 2.18020311e-05] [-7.35629560e-05 -3.38348952e-04 -2.18020322e-05] [ 2.43128692e-04 2.43199155e-04 3.38312097e-04] [-2.43128691e-04 2.43199157e-04 3.38312097e-04] [ 2.43128693e-04 -2.43199155e-04 -3.38312097e-04] [-2.43128692e-04 -2.43199156e-04 -3.38312097e-04]] Final stress: [ 1.48550535e-05 1.48603988e-05 -1.30400324e-05 1.55950503e-05 -6.81613321e-17 2.82620157e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.04270193e-05 5.04141000e-14 8.82627305e-15] [-2.04270196e-05 5.53168622e-14 -5.66213743e-14] [ 7.08001366e-14 2.12770593e-05 4.99110014e-06] [ 7.11375403e-14 -2.12770595e-05 -4.99110018e-06] [-8.51315546e-15 5.50875203e-06 4.93332541e-04] [ 1.44245726e-13 -5.50875184e-06 -4.93332542e-04] [ 2.04270200e-05 -4.23628146e-14 -5.13317949e-14] [-2.04270196e-05 2.12421226e-14 -6.34706627e-14] [-6.49306997e-15 2.12770593e-05 4.99110008e-06] [-3.14015307e-14 -2.12770595e-05 -4.99110017e-06] [-2.22512980e-14 5.50875167e-06 4.93332541e-04] [-4.74151968e-14 -5.50875170e-06 -4.93332541e-04] [-1.99364203e-04 1.79855496e-04 -4.82321119e-05] [-5.02126598e-04 -1.23697291e-04 -1.04262273e-04] [-5.02126598e-04 1.23697291e-04 1.04262273e-04] [-1.99364204e-04 -1.79855496e-04 4.82321118e-05] [ 5.02126598e-04 1.23697291e-04 1.04262273e-04] [ 1.99364204e-04 -1.79855495e-04 4.82321118e-05] [ 5.02126598e-04 -1.23697291e-04 -1.04262273e-04] [ 1.99364203e-04 1.79855496e-04 -4.82321120e-05] [-1.99364204e-04 1.79855496e-04 -4.82321121e-05] [-5.02126598e-04 -1.23697291e-04 -1.04262273e-04] [-5.02126598e-04 1.23697291e-04 1.04262273e-04] [-1.99364203e-04 -1.79855496e-04 4.82321118e-05] [ 5.02126597e-04 1.23697291e-04 1.04262273e-04] [ 1.99364203e-04 -1.79855496e-04 4.82321117e-05] [ 5.02126597e-04 -1.23697291e-04 -1.04262273e-04] [ 1.99364203e-04 1.79855496e-04 -4.82321119e-05] [ 5.07371922e-13 4.96963581e-13 6.16423579e-13] [-4.05456918e-13 1.50658553e-13 -4.28296234e-13] [ 1.49880108e-14 -3.86987978e-04 -2.44568481e-04] [-7.78526549e-14 -3.30625270e-04 4.72398414e-04] [ 3.43159529e-13 3.30625270e-04 -4.72398414e-04] [-2.06367909e-13 3.86987978e-04 2.44568480e-04] [-2.82706589e-05 -3.57660257e-04 1.13860898e-04] [-2.82706588e-05 3.57660257e-04 -1.13860898e-04] [ 2.82706588e-05 -3.57660257e-04 1.13860897e-04] [ 2.82706592e-05 3.57660257e-04 -1.13860898e-04] [ 2.28664137e-04 2.28700449e-04 -3.57608254e-04] [-2.28664138e-04 2.28700449e-04 -3.57608254e-04] [ 2.28664138e-04 -2.28700449e-04 3.57608255e-04] [-2.28664137e-04 -2.28700449e-04 3.57608254e-04] [-1.23757775e-13 -3.86987978e-04 -2.44568481e-04] [ 3.30023335e-13 -3.30625272e-04 4.72398413e-04] [ 1.94178441e-13 3.30625271e-04 -4.72398413e-04] [ 3.74585779e-13 3.86987979e-04 2.44568480e-04] [-2.82706593e-05 -3.57660257e-04 1.13860898e-04] [-2.82706592e-05 3.57660257e-04 -1.13860898e-04] [ 2.82706590e-05 -3.57660257e-04 1.13860898e-04] [ 2.82706598e-05 3.57660256e-04 -1.13860898e-04] [ 2.28664138e-04 2.28700448e-04 -3.57608254e-04] [-2.28664138e-04 2.28700448e-04 -3.57608255e-04] [ 2.28664137e-04 -2.28700449e-04 3.57608255e-04] [-2.28664138e-04 -2.28700448e-04 3.57608255e-04]] Final stress: [ 1.52534812e-05 1.52590868e-05 -1.32631447e-05 -1.64069191e-05 -6.64988606e-17 9.14359333e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.33616194e-07 -4.63973478e-14 2.15257499e-14] [ 2.33616202e-07 -2.27456942e-13 -8.92896868e-14] [-1.26780531e-13 5.75518671e-07 -1.01527005e-04] [ 8.50153281e-14 -5.75518684e-07 1.01527005e-04] [-1.01304382e-13 -1.00969346e-04 -4.67907832e-04] [ 1.31117339e-13 1.00969346e-04 4.67907831e-04] [-2.33616218e-07 8.31106017e-14 -9.84160486e-14] [ 2.33616108e-07 2.25402162e-13 1.37241475e-13] [ 5.76734840e-14 5.75519079e-07 -1.01527005e-04] [ 3.52552189e-14 -5.75518409e-07 1.01527005e-04] [ 7.76947950e-14 -1.00969345e-04 -4.67907831e-04] [-9.35740201e-14 1.00969345e-04 4.67907832e-04] [ 1.28260101e-04 -1.62653030e-04 5.81103799e-05] [ 4.40336193e-04 1.48704692e-04 7.23677315e-05] [ 4.40336194e-04 -1.48704692e-04 -7.23677313e-05] [ 1.28260101e-04 1.62653030e-04 -5.81103799e-05] [-4.40336194e-04 -1.48704692e-04 -7.23677312e-05] [-1.28260101e-04 1.62653031e-04 -5.81103797e-05] [-4.40336194e-04 1.48704692e-04 7.23677314e-05] [-1.28260101e-04 -1.62653030e-04 5.81103801e-05] [ 1.28260101e-04 -1.62653031e-04 5.81103801e-05] [ 4.40336193e-04 1.48704692e-04 7.23677311e-05] [ 4.40336194e-04 -1.48704692e-04 -7.23677313e-05] [ 1.28260101e-04 1.62653030e-04 -5.81103799e-05] [-4.40336194e-04 -1.48704691e-04 -7.23677313e-05] [-1.28260101e-04 1.62653030e-04 -5.81103800e-05] [-4.40336194e-04 1.48704692e-04 7.23677311e-05] [-1.28260101e-04 -1.62653030e-04 5.81103800e-05] [ 3.08086889e-14 -6.15341111e-14 4.34291492e-13] [ 1.22957200e-13 -4.58779076e-13 -7.86371199e-13] [ 4.38427072e-13 2.92673095e-04 3.13362160e-04] [ 5.98791849e-14 4.22081741e-04 -4.02164458e-04] [-1.95451294e-13 -4.22081742e-04 4.02164458e-04] [-3.24604926e-13 -2.92673095e-04 -3.13362161e-04] [-6.47990289e-05 3.49570681e-04 -4.44283883e-05] [-6.47990291e-05 -3.49570682e-04 4.44283881e-05] [ 6.47990285e-05 3.49570681e-04 -4.44283889e-05] [ 6.47990286e-05 -3.49570681e-04 4.44283886e-05] [-2.47055747e-04 -2.46987650e-04 3.49607076e-04] [ 2.47055747e-04 -2.46987651e-04 3.49607076e-04] [-2.47055746e-04 2.46987651e-04 -3.49607077e-04] [ 2.47055746e-04 2.46987651e-04 -3.49607076e-04] [-1.30519293e-13 2.92673095e-04 3.13362160e-04] [ 2.36709524e-13 4.22081740e-04 -4.02164459e-04] [-1.56970791e-14 -4.22081741e-04 4.02164458e-04] [ 5.44476790e-13 -2.92673096e-04 -3.13362159e-04] [-6.47990294e-05 3.49570681e-04 -4.44283878e-05] [-6.47990289e-05 -3.49570681e-04 4.44283881e-05] [ 6.47990301e-05 3.49570681e-04 -4.44283873e-05] [ 6.47990285e-05 -3.49570681e-04 4.44283886e-05] [-2.47055746e-04 -2.46987652e-04 3.49607077e-04] [ 2.47055746e-04 -2.46987651e-04 3.49607077e-04] [-2.47055746e-04 2.46987651e-04 -3.49607076e-04] [ 2.47055746e-04 2.46987651e-04 -3.49607076e-04]] Final stress: [-1.50213766e-05 -1.50164744e-05 1.29238643e-05 1.54213198e-05 -7.31539444e-17 -6.81661754e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.33614607e-07 -2.95432082e-14 -1.02507412e-13] [ 2.33614107e-07 7.55506768e-14 -8.26005930e-14] [-4.84200353e-14 5.75520399e-07 1.01527005e-04] [-2.15522045e-13 -5.75519614e-07 -1.01527005e-04] [ 2.23501773e-14 1.00969345e-04 -4.67907832e-04] [-1.71446191e-13 -1.00969345e-04 4.67907832e-04] [-2.33614590e-07 2.71150290e-14 1.37787846e-13] [ 2.33614617e-07 -5.71123010e-14 9.31434693e-14] [-7.68421785e-14 5.75520058e-07 1.01527004e-04] [ 1.24122500e-13 -5.75520007e-07 -1.01527005e-04] [ 3.03793449e-15 1.00969345e-04 -4.67907832e-04] [ 9.22989983e-14 -1.00969345e-04 4.67907831e-04] [-4.40336194e-04 -1.48704691e-04 7.23677317e-05] [-1.28260101e-04 1.62653031e-04 5.81103791e-05] [-1.28260101e-04 -1.62653031e-04 -5.81103796e-05] [-4.40336194e-04 1.48704692e-04 -7.23677318e-05] [ 1.28260101e-04 -1.62653031e-04 -5.81103794e-05] [ 4.40336194e-04 1.48704691e-04 -7.23677316e-05] [ 1.28260101e-04 1.62653032e-04 5.81103793e-05] [ 4.40336194e-04 -1.48704691e-04 7.23677317e-05] [-4.40336194e-04 -1.48704692e-04 7.23677319e-05] [-1.28260101e-04 1.62653031e-04 5.81103791e-05] [-1.28260101e-04 -1.62653031e-04 -5.81103793e-05] [-4.40336194e-04 1.48704692e-04 -7.23677315e-05] [ 1.28260101e-04 -1.62653032e-04 -5.81103793e-05] [ 4.40336194e-04 1.48704692e-04 -7.23677315e-05] [ 1.28260101e-04 1.62653031e-04 5.81103791e-05] [ 4.40336194e-04 -1.48704691e-04 7.23677320e-05] [ 2.51576537e-13 -6.62386812e-13 -4.15639745e-13] [-3.83807569e-15 -5.40821903e-13 4.96352281e-13] [-1.92179606e-13 -4.22081735e-04 -4.02164464e-04] [ 3.42673806e-13 -2.92673101e-04 3.13362153e-04] [-3.62036789e-14 2.92673101e-04 -3.13362153e-04] [ 4.72608064e-14 4.22081735e-04 4.02164464e-04] [-6.47990234e-05 -3.49570682e-04 -4.44283945e-05] [-6.47990229e-05 3.49570683e-04 4.44283951e-05] [ 6.47990240e-05 -3.49570682e-04 -4.44283939e-05] [ 6.47990235e-05 3.49570683e-04 4.44283944e-05] [-2.47055747e-04 -2.46987650e-04 -3.49607078e-04] [ 2.47055746e-04 -2.46987651e-04 -3.49607077e-04] [-2.47055747e-04 2.46987650e-04 3.49607078e-04] [ 2.47055746e-04 2.46987651e-04 3.49607078e-04] [ 2.30713018e-13 -4.22081734e-04 -4.02164465e-04] [-8.38613033e-14 -2.92673102e-04 3.13362153e-04] [ 2.09622250e-13 2.92673100e-04 -3.13362154e-04] [ 1.65046796e-13 4.22081735e-04 4.02164464e-04] [-6.47990229e-05 -3.49570683e-04 -4.44283950e-05] [-6.47990233e-05 3.49570682e-04 4.44283944e-05] [ 6.47990239e-05 -3.49570683e-04 -4.44283941e-05] [ 6.47990237e-05 3.49570683e-04 4.44283942e-05] [-2.47055746e-04 -2.46987650e-04 -3.49607078e-04] [ 2.47055746e-04 -2.46987651e-04 -3.49607077e-04] [-2.47055747e-04 2.46987650e-04 3.49607077e-04] [ 2.47055746e-04 2.46987651e-04 3.49607078e-04]] Final stress: [-1.50213766e-05 -1.50164744e-05 1.29238643e-05 -1.54213198e-05 -6.81661754e-17 -1.84547451e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.62023489e-05 -5.17684853e-14 -8.22134174e-05] [-1.62023494e-05 5.04873920e-14 8.22134175e-05] [ 2.79377216e-14 1.53908850e-05 -1.17137203e-14] [-2.27873276e-14 -1.53908847e-05 1.32172051e-13] [-8.27838468e-05 1.65936709e-13 4.73366565e-04] [ 8.27838468e-05 -6.13398221e-15 -4.73366566e-04] [ 1.62023489e-05 -3.61950053e-15 -8.22134175e-05] [-1.62023491e-05 5.14436584e-14 8.22134175e-05] [-3.09179765e-14 1.53908845e-05 -4.15465002e-14] [-8.28083262e-14 -1.53908848e-05 -1.88283555e-13] [-8.27838467e-05 -2.13057526e-13 4.73366565e-04] [ 8.27838466e-05 2.67977663e-14 -4.73366566e-04] [ 1.45141464e-04 4.52110508e-04 -7.67529713e-05] [-1.58463428e-04 1.49224745e-04 -6.37076649e-05] [-1.45141464e-04 4.52110508e-04 7.67529715e-05] [ 1.58463428e-04 1.49224745e-04 6.37076650e-05] [ 1.58463428e-04 -1.49224745e-04 6.37076653e-05] [-1.45141464e-04 -4.52110507e-04 7.67529713e-05] [ 1.45141464e-04 -4.52110508e-04 -7.67529713e-05] [-1.58463428e-04 -1.49224745e-04 -6.37076651e-05] [ 1.45141464e-04 4.52110508e-04 -7.67529717e-05] [-1.58463428e-04 1.49224745e-04 -6.37076651e-05] [-1.45141464e-04 4.52110508e-04 7.67529711e-05] [ 1.58463428e-04 1.49224745e-04 6.37076652e-05] [ 1.58463428e-04 -1.49224745e-04 6.37076650e-05] [-1.45141464e-04 -4.52110508e-04 7.67529712e-05] [ 1.45141464e-04 -4.52110508e-04 -7.67529717e-05] [-1.58463428e-04 -1.49224745e-04 -6.37076651e-05] [ 6.03211925e-13 -2.41889841e-13 6.29690744e-13] [-4.15474946e-14 9.08859571e-14 2.39851910e-13] [ 3.38673585e-04 7.29712901e-05 2.27603949e-05] [ 3.38673585e-04 -7.29712897e-05 2.27603954e-05] [-3.38673584e-04 7.29712889e-05 -2.27603960e-05] [-3.38673585e-04 -7.29712898e-05 -2.27603952e-05] [ 4.37783910e-04 -8.61977156e-13 3.87121681e-04] [-2.91632352e-04 -1.81790347e-13 3.41530896e-04] [ 2.91632352e-04 -1.33257988e-13 -3.41530897e-04] [-4.37783910e-04 2.45590007e-13 -3.87121681e-04] [ 2.43274933e-04 2.43204543e-04 3.38637234e-04] [-2.43274934e-04 2.43204542e-04 -3.38637233e-04] [ 2.43274933e-04 -2.43204543e-04 3.38637233e-04] [-2.43274933e-04 -2.43204543e-04 -3.38637233e-04] [ 3.38673585e-04 7.29712895e-05 2.27603953e-05] [ 3.38673585e-04 -7.29712896e-05 2.27603952e-05] [-3.38673584e-04 7.29712900e-05 -2.27603948e-05] [-3.38673584e-04 -7.29712891e-05 -2.27603959e-05] [ 4.37783909e-04 4.88501315e-13 3.87121681e-04] [-2.91632352e-04 -5.16500905e-13 3.41530896e-04] [ 2.91632353e-04 8.24852339e-14 -3.41530896e-04] [-4.37783910e-04 -3.99416611e-13 -3.87121680e-04] [ 2.43274933e-04 2.43204542e-04 3.38637233e-04] [-2.43274933e-04 2.43204543e-04 -3.38637234e-04] [ 2.43274933e-04 -2.43204543e-04 3.38637234e-04] [-2.43274934e-04 -2.43204542e-04 -3.38637233e-04]] Final stress: [ 1.48585578e-05 1.48532166e-05 -1.30466662e-05 4.82116739e-17 1.55878133e-05 1.99496582e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.38954776e-05 8.92515228e-15 7.44091691e-05] [ 3.38954775e-05 3.16691118e-14 -7.44091690e-05] [ 2.39174999e-14 -3.47587084e-05 -1.67470204e-14] [-1.50185420e-13 3.47587088e-05 7.16371407e-14] [ 7.49419719e-05 -3.94710306e-14 4.55892732e-04] [-7.49419720e-05 -8.17401702e-14 -4.55892732e-04] [-3.38954782e-05 1.27248472e-13 7.44091690e-05] [ 3.38954779e-05 7.68872813e-15 -7.44091692e-05] [-8.20767065e-14 -3.47587081e-05 9.72321965e-14] [ 5.29593730e-14 3.47587081e-05 -4.37186509e-14] [ 7.49419718e-05 4.51724811e-14 4.55892732e-04] [-7.49419721e-05 1.40672186e-13 -4.55892732e-04] [ 1.81128874e-04 -1.36775264e-04 -3.45964273e-05] [-1.29494795e-04 -4.46619401e-04 -8.59464579e-05] [-1.81128873e-04 -1.36775264e-04 3.45964274e-05] [ 1.29494795e-04 -4.46619401e-04 8.59464579e-05] [ 1.29494795e-04 4.46619401e-04 8.59464581e-05] [-1.81128873e-04 1.36775264e-04 3.45964275e-05] [ 1.81128874e-04 1.36775264e-04 -3.45964274e-05] [-1.29494795e-04 4.46619401e-04 -8.59464579e-05] [ 1.81128874e-04 -1.36775264e-04 -3.45964274e-05] [-1.29494795e-04 -4.46619400e-04 -8.59464583e-05] [-1.81128874e-04 -1.36775264e-04 3.45964273e-05] [ 1.29494795e-04 -4.46619401e-04 8.59464579e-05] [ 1.29494796e-04 4.46619401e-04 8.59464577e-05] [-1.81128874e-04 1.36775264e-04 3.45964274e-05] [ 1.81128874e-04 1.36775264e-04 -3.45964275e-05] [-1.29494796e-04 4.46619401e-04 -8.59464582e-05] [-2.54546384e-13 -5.44925216e-13 3.58685304e-13] [ 5.69952072e-14 9.89812919e-15 -3.38749640e-13] [-3.89385904e-04 1.14128136e-04 -1.96549189e-06] [-3.89385903e-04 -1.14128136e-04 -1.96549214e-06] [ 3.89385903e-04 1.14128136e-04 1.96549194e-06] [ 3.89385904e-04 -1.14128135e-04 1.96549134e-06] [-2.29416009e-04 7.26307903e-13 -3.45090426e-04] [ 4.57868103e-04 4.42279893e-13 -3.41218178e-04] [-4.57868104e-04 2.15737150e-13 3.41218177e-04] [ 2.29416009e-04 2.73732426e-13 3.45090427e-04] [ 2.48653109e-04 2.48583775e-04 -3.89308827e-04] [-2.48653109e-04 2.48583774e-04 3.89308826e-04] [ 2.48653110e-04 -2.48583774e-04 -3.89308826e-04] [-2.48653110e-04 -2.48583774e-04 3.89308826e-04] [-3.89385903e-04 1.14128135e-04 -1.96549187e-06] [-3.89385903e-04 -1.14128136e-04 -1.96549268e-06] [ 3.89385904e-04 1.14128136e-04 1.96549229e-06] [ 3.89385904e-04 -1.14128137e-04 1.96549352e-06] [-2.29416009e-04 -3.72112957e-13 -3.45090426e-04] [ 4.57868103e-04 -6.44516992e-14 -3.41218179e-04] [-4.57868103e-04 -1.88315509e-13 3.41218178e-04] [ 2.29416008e-04 5.72953143e-14 3.45090427e-04] [ 2.48653110e-04 2.48583773e-04 -3.89308825e-04] [-2.48653110e-04 2.48583774e-04 3.89308826e-04] [ 2.48653110e-04 -2.48583773e-04 -3.89308825e-04] [-2.48653109e-04 -2.48583775e-04 3.89308826e-04]] Final stress: [ 1.46651653e-05 1.46601342e-05 -1.31471742e-05 3.49119018e-17 -1.57051852e-05 1.11385591e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.75518269e-07 4.04021434e-14 -1.01527002e-04] [-5.75518691e-07 -6.38933351e-14 1.01527002e-04] [-4.74845857e-14 -2.33615908e-07 -5.29936338e-14] [-3.31679129e-14 2.33616089e-07 -9.07607323e-15] [-1.00969343e-04 -7.64536004e-15 -4.67907832e-04] [ 1.00969343e-04 1.89015470e-14 4.67907833e-04] [ 5.75518535e-07 8.19830315e-15 -1.01527002e-04] [-5.75518068e-07 3.38045564e-14 1.01527002e-04] [-1.43097340e-14 -2.33616551e-07 3.72385804e-14] [-3.16639076e-14 2.33616323e-07 4.71446787e-14] [-1.00969343e-04 2.08466630e-14 -4.67907831e-04] [ 1.00969343e-04 -7.70348058e-14 4.67907832e-04] [-1.62653031e-04 1.28260103e-04 5.81103795e-05] [ 1.48704691e-04 4.40336195e-04 7.23677323e-05] [ 1.62653031e-04 1.28260102e-04 -5.81103793e-05] [-1.48704691e-04 4.40336195e-04 -7.23677323e-05] [-1.48704691e-04 -4.40336196e-04 -7.23677322e-05] [ 1.62653031e-04 -1.28260102e-04 -5.81103796e-05] [-1.62653031e-04 -1.28260103e-04 5.81103797e-05] [ 1.48704691e-04 -4.40336195e-04 7.23677321e-05] [-1.62653031e-04 1.28260103e-04 5.81103791e-05] [ 1.48704691e-04 4.40336195e-04 7.23677323e-05] [ 1.62653031e-04 1.28260103e-04 -5.81103794e-05] [-1.48704691e-04 4.40336195e-04 -7.23677320e-05] [-1.48704691e-04 -4.40336195e-04 -7.23677320e-05] [ 1.62653031e-04 -1.28260103e-04 -5.81103793e-05] [-1.62653031e-04 -1.28260103e-04 5.81103789e-05] [ 1.48704691e-04 -4.40336195e-04 7.23677320e-05] [ 2.10470530e-13 -2.06973327e-13 -1.24983357e-13] [-4.01061129e-13 2.72132881e-13 -5.40919694e-13] [ 3.49570681e-04 -6.47990247e-05 -4.44283916e-05] [ 3.49570681e-04 6.47990245e-05 -4.44283920e-05] [-3.49570681e-04 -6.47990252e-05 4.44283915e-05] [-3.49570682e-04 6.47990250e-05 4.44283916e-05] [ 2.92673098e-04 2.55684363e-13 3.13362158e-04] [-4.22081738e-04 -3.67601782e-13 4.02164461e-04] [ 4.22081739e-04 1.29275063e-13 -4.02164460e-04] [-2.92673098e-04 1.46037696e-13 -3.13362157e-04] [-2.46987651e-04 -2.47055746e-04 3.49607077e-04] [ 2.46987650e-04 -2.47055747e-04 -3.49607077e-04] [-2.46987650e-04 2.47055747e-04 3.49607077e-04] [ 2.46987650e-04 2.47055747e-04 -3.49607077e-04] [ 3.49570682e-04 -6.47990260e-05 -4.44283907e-05] [ 3.49570682e-04 6.47990258e-05 -4.44283910e-05] [-3.49570682e-04 -6.47990268e-05 4.44283897e-05] [-3.49570682e-04 6.47990261e-05 4.44283907e-05] [ 2.92673099e-04 3.11244829e-14 3.13362156e-04] [-4.22081736e-04 1.65819398e-13 4.02164463e-04] [ 4.22081737e-04 -4.77286179e-13 -4.02164462e-04] [-2.92673099e-04 -3.51683526e-13 -3.13362157e-04] [-2.46987651e-04 -2.47055745e-04 3.49607077e-04] [ 2.46987651e-04 -2.47055745e-04 -3.49607077e-04] [-2.46987651e-04 2.47055745e-04 3.49607077e-04] [ 2.46987651e-04 2.47055745e-04 -3.49607077e-04]] Final stress: [-1.50164745e-05 -1.50213767e-05 1.29238643e-05 7.31539444e-17 1.54213199e-05 1.46307889e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.75521962e-07 -6.36643516e-16 1.01527004e-04] [-5.75521714e-07 -1.46271883e-13 -1.01527004e-04] [ 8.18841522e-14 -2.33612386e-07 1.17292460e-13] [ 6.44206910e-14 2.33613077e-07 1.88460358e-14] [ 1.00969344e-04 -5.45770026e-14 -4.67907832e-04] [-1.00969344e-04 5.09592368e-14 4.67907832e-04] [ 5.75521629e-07 3.58129325e-14 1.01527004e-04] [-5.75521767e-07 1.64640437e-13 -1.01527004e-04] [ 4.60768576e-14 -2.33612735e-07 3.21565950e-14] [-7.52262835e-15 2.33612849e-07 -4.22375336e-14] [ 1.00969344e-04 5.91652168e-14 -4.67907832e-04] [-1.00969345e-04 5.43345476e-14 4.67907832e-04] [-1.48704691e-04 -4.40336194e-04 7.23677322e-05] [ 1.62653032e-04 -1.28260101e-04 5.81103785e-05] [ 1.48704691e-04 -4.40336194e-04 -7.23677321e-05] [-1.62653032e-04 -1.28260101e-04 -5.81103786e-05] [-1.62653032e-04 1.28260101e-04 -5.81103785e-05] [ 1.48704691e-04 4.40336194e-04 -7.23677323e-05] [-1.48704691e-04 4.40336194e-04 7.23677323e-05] [ 1.62653032e-04 1.28260101e-04 5.81103784e-05] [-1.48704691e-04 -4.40336194e-04 7.23677325e-05] [ 1.62653032e-04 -1.28260101e-04 5.81103781e-05] [ 1.48704691e-04 -4.40336194e-04 -7.23677323e-05] [-1.62653032e-04 -1.28260101e-04 -5.81103786e-05] [-1.62653032e-04 1.28260101e-04 -5.81103786e-05] [ 1.48704691e-04 4.40336194e-04 -7.23677321e-05] [-1.48704691e-04 4.40336194e-04 7.23677319e-05] [ 1.62653032e-04 1.28260101e-04 5.81103784e-05] [-1.20903287e-13 -1.01765818e-12 -2.38142839e-14] [-1.30357964e-13 1.99753534e-13 1.35211050e-13] [-3.49570684e-04 -6.47990186e-05 -4.44284002e-05] [-3.49570685e-04 6.47990185e-05 -4.44283996e-05] [ 3.49570685e-04 -6.47990181e-05 4.44284006e-05] [ 3.49570685e-04 6.47990186e-05 4.44284000e-05] [-4.22081728e-04 -1.51212376e-13 -4.02164470e-04] [ 2.92673106e-04 -1.42094669e-13 -3.13362146e-04] [-2.92673106e-04 -8.83425277e-14 3.13362146e-04] [ 4.22081729e-04 1.13711124e-13 4.02164470e-04] [-2.46987651e-04 -2.47055745e-04 -3.49607079e-04] [ 2.46987651e-04 -2.47055746e-04 3.49607080e-04] [-2.46987651e-04 2.47055745e-04 -3.49607079e-04] [ 2.46987651e-04 2.47055746e-04 3.49607080e-04] [-3.49570685e-04 -6.47990178e-05 -4.44284009e-05] [-3.49570684e-04 6.47990179e-05 -4.44284011e-05] [ 3.49570685e-04 -6.47990174e-05 4.44284012e-05] [ 3.49570685e-04 6.47990177e-05 4.44284007e-05] [-4.22081729e-04 -2.06652405e-13 -4.02164470e-04] [ 2.92673105e-04 -1.50127957e-13 -3.13362147e-04] [-2.92673105e-04 -2.01459509e-13 3.13362147e-04] [ 4.22081730e-04 -2.78634320e-13 4.02164469e-04] [-2.46987650e-04 -2.47055746e-04 -3.49607079e-04] [ 2.46987650e-04 -2.47055746e-04 3.49607080e-04] [-2.46987651e-04 2.47055746e-04 -3.49607079e-04] [ 2.46987650e-04 2.47055746e-04 3.49607079e-04]] Final stress: [-1.50164745e-05 -1.50213767e-05 1.29238643e-05 1.36332351e-16 -1.54213199e-05 3.49143825e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.00058316e-04 -5.38667905e-05 -3.38271078e-16] [ 2.00058316e-04 5.38667906e-05 9.73110481e-14] [-5.38667906e-05 -2.00058316e-04 -1.30720955e-13] [ 5.38667907e-05 2.00058316e-04 3.52495810e-14] [-1.72478785e-13 1.18810777e-13 3.95587163e-04] [ 2.90878432e-14 -1.13464793e-13 -3.95587163e-04] [-2.00058315e-04 -5.38667906e-05 -7.26181260e-14] [ 2.00058316e-04 5.38667908e-05 -2.82526650e-14] [-5.38667906e-05 -2.00058316e-04 1.30428323e-13] [ 5.38667907e-05 2.00058316e-04 -4.87973970e-14] [ 1.38771807e-13 -7.07276460e-14 3.95587163e-04] [-8.10159231e-15 4.56346454e-15 -3.95587163e-04] [ 7.90397778e-05 7.90397777e-05 2.30957716e-04] [-7.90397775e-05 -7.90397778e-05 2.30957716e-04] [-2.53968540e-04 2.53968540e-04 2.86377790e-04] [ 2.53968540e-04 -2.53968540e-04 2.86377789e-04] [ 7.90397779e-05 7.90397777e-05 -2.30957716e-04] [-7.90397781e-05 -7.90397776e-05 -2.30957715e-04] [ 2.53968540e-04 -2.53968540e-04 -2.86377790e-04] [-2.53968540e-04 2.53968540e-04 -2.86377790e-04] [ 7.90397774e-05 7.90397774e-05 2.30957716e-04] [-7.90397777e-05 -7.90397777e-05 2.30957716e-04] [-2.53968540e-04 2.53968540e-04 2.86377789e-04] [ 2.53968540e-04 -2.53968540e-04 2.86377790e-04] [ 7.90397774e-05 7.90397775e-05 -2.30957716e-04] [-7.90397777e-05 -7.90397779e-05 -2.30957716e-04] [ 2.53968540e-04 -2.53968539e-04 -2.86377790e-04] [-2.53968540e-04 2.53968540e-04 -2.86377790e-04] [ 7.42877981e-13 4.52055060e-13 9.05386877e-14] [-3.36730210e-13 -8.42461834e-14 1.75323345e-13] [ 5.53942974e-04 2.43226734e-04 -7.61190935e-05] [-5.53942975e-04 -2.43226734e-04 -7.61190934e-05] [ 5.53942974e-04 2.43226734e-04 7.61190933e-05] [-5.53942975e-04 -2.43226734e-04 7.61190930e-05] [ 2.43226734e-04 5.53942974e-04 -7.61190935e-05] [ 2.43226735e-04 5.53942974e-04 7.61190941e-05] [-2.43226735e-04 -5.53942975e-04 -7.61190944e-05] [-2.43226735e-04 -5.53942974e-04 7.61190943e-05] [ 5.37976732e-04 5.37976733e-04 6.17284002e-14] [ 6.78465204e-06 -6.78465027e-06 2.10826148e-13] [-6.78465086e-06 6.78465163e-06 -1.31098257e-13] [-5.37976732e-04 -5.37976733e-04 -9.60568430e-14] [ 5.53942974e-04 2.43226735e-04 -7.61190938e-05] [-5.53942975e-04 -2.43226735e-04 -7.61190945e-05] [ 5.53942975e-04 2.43226735e-04 7.61190938e-05] [-5.53942974e-04 -2.43226735e-04 7.61190936e-05] [ 2.43226734e-04 5.53942974e-04 -7.61190929e-05] [ 2.43226734e-04 5.53942974e-04 7.61190934e-05] [-2.43226734e-04 -5.53942975e-04 -7.61190933e-05] [-2.43226734e-04 -5.53942975e-04 7.61190935e-05] [ 5.37976733e-04 5.37976731e-04 1.15883631e-13] [ 6.78465160e-06 -6.78465117e-06 -2.73611598e-14] [-6.78465027e-06 6.78465242e-06 5.71904090e-13] [-5.37976732e-04 -5.37976732e-04 -3.23898894e-13]] Final stress: [ 1.40193885e-05 1.40193885e-05 -1.34548978e-05 3.39144189e-16 -2.75970271e-16 1.60576206e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.62274995e-06 9.77989440e-05 1.71473079e-14] [-4.62275016e-06 -9.77989439e-05 -7.08877401e-14] [ 9.77989438e-05 4.62275026e-06 3.27906105e-14] [-9.77989439e-05 -4.62275013e-06 -6.68631817e-14] [-1.41862216e-13 1.72149621e-14 4.69371618e-04] [ 1.40332190e-13 7.90478794e-14 -4.69371619e-04] [ 4.62274976e-06 9.77989438e-05 -3.88185505e-15] [-4.62274993e-06 -9.77989440e-05 -6.50103960e-14] [ 9.77989440e-05 4.62275017e-06 -7.80428719e-14] [-9.77989441e-05 -4.62274977e-06 1.51551215e-14] [-2.89742189e-14 -9.87563023e-15 4.69371619e-04] [-4.12404486e-14 -1.19602720e-13 -4.69371619e-04] [ 1.58363470e-04 1.58363470e-04 -3.58634858e-04] [-1.58363469e-04 -1.58363469e-04 -3.58634858e-04] [-1.47553865e-04 1.47553865e-04 -2.21389722e-04] [ 1.47553865e-04 -1.47553865e-04 -2.21389722e-04] [ 1.58363470e-04 1.58363470e-04 3.58634858e-04] [-1.58363469e-04 -1.58363469e-04 3.58634858e-04] [ 1.47553865e-04 -1.47553865e-04 2.21389722e-04] [-1.47553865e-04 1.47553865e-04 2.21389722e-04] [ 1.58363469e-04 1.58363469e-04 -3.58634858e-04] [-1.58363470e-04 -1.58363470e-04 -3.58634858e-04] [-1.47553865e-04 1.47553865e-04 -2.21389722e-04] [ 1.47553865e-04 -1.47553865e-04 -2.21389722e-04] [ 1.58363470e-04 1.58363470e-04 3.58634858e-04] [-1.58363470e-04 -1.58363470e-04 3.58634858e-04] [ 1.47553865e-04 -1.47553865e-04 2.21389722e-04] [-1.47553865e-04 1.47553865e-04 2.21389722e-04] [ 3.98236999e-13 1.27647892e-13 5.72875081e-13] [-1.14657849e-13 -7.63741877e-13 1.49194991e-13] [-3.44609869e-04 6.14286860e-05 4.15318775e-05] [ 3.44609868e-04 -6.14286857e-05 4.15318777e-05] [-3.44609868e-04 6.14286853e-05 -4.15318780e-05] [ 3.44609868e-04 -6.14286855e-05 -4.15318780e-05] [ 6.14286863e-05 -3.44609868e-04 4.15318772e-05] [ 6.14286856e-05 -3.44609868e-04 -4.15318777e-05] [-6.14286866e-05 3.44609869e-04 4.15318766e-05] [-6.14286856e-05 3.44609868e-04 -4.15318776e-05] [-1.17189178e-04 -1.17189175e-04 -1.69531056e-13] [-6.06741665e-04 6.06741666e-04 -6.24545554e-13] [ 6.06741664e-04 -6.06741667e-04 -1.18030585e-13] [ 1.17189177e-04 1.17189176e-04 4.06775308e-14] [-3.44609868e-04 6.14286859e-05 4.15318770e-05] [ 3.44609868e-04 -6.14286859e-05 4.15318774e-05] [-3.44609868e-04 6.14286866e-05 -4.15318766e-05] [ 3.44609869e-04 -6.14286870e-05 -4.15318765e-05] [ 6.14286852e-05 -3.44609869e-04 4.15318778e-05] [ 6.14286860e-05 -3.44609868e-04 -4.15318771e-05] [-6.14286848e-05 3.44609868e-04 4.15318784e-05] [-6.14286846e-05 3.44609868e-04 -4.15318786e-05] [-1.17189176e-04 -1.17189177e-04 4.45903403e-13] [-6.06741665e-04 6.06741666e-04 7.37543503e-14] [ 6.06741666e-04 -6.06741665e-04 3.69092594e-13] [ 1.17189177e-04 1.17189176e-04 4.71254979e-13]] Final stress: [ 1.48214134e-05 1.48214134e-05 -1.31804834e-05 1.04735705e-16 -1.23022892e-16 -1.54493666e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.84531853e-02 3.82284877e-03 -1.00366720e-11] [-1.84531852e-02 -3.82284879e-03 -3.62304631e-12] [ 3.82284880e-03 1.84531853e-02 3.78350996e-12] [-3.82284877e-03 -1.84531852e-02 -5.27392019e-12] [-1.71469393e-12 -1.28017822e-11 -1.50635935e-02] [ 1.32638345e-12 -4.06888412e-12 1.50635935e-02] [ 1.84531852e-02 3.82284879e-03 4.74105196e-12] [-1.84531853e-02 -3.82284878e-03 -2.06375002e-12] [ 3.82284878e-03 1.84531852e-02 -3.78204783e-12] [-3.82284879e-03 -1.84531853e-02 -2.38404641e-12] [-2.00781666e-13 4.64257504e-12 -1.50635935e-02] [ 1.20363441e-12 -2.10253666e-12 1.50635935e-02] [-1.72416974e-02 -1.72416974e-02 1.75399195e-02] [ 1.72416974e-02 1.72416974e-02 1.75399195e-02] [ 2.89950961e-03 -2.89950959e-03 1.48644566e-02] [-2.89950959e-03 2.89950961e-03 1.48644566e-02] [-1.72416974e-02 -1.72416974e-02 -1.75399195e-02] [ 1.72416974e-02 1.72416974e-02 -1.75399195e-02] [-2.89950960e-03 2.89950961e-03 -1.48644566e-02] [ 2.89950959e-03 -2.89950959e-03 -1.48644566e-02] [-1.72416974e-02 -1.72416974e-02 1.75399195e-02] [ 1.72416974e-02 1.72416974e-02 1.75399195e-02] [ 2.89950959e-03 -2.89950961e-03 1.48644566e-02] [-2.89950963e-03 2.89950960e-03 1.48644566e-02] [-1.72416974e-02 -1.72416973e-02 -1.75399195e-02] [ 1.72416974e-02 1.72416974e-02 -1.75399195e-02] [-2.89950963e-03 2.89950961e-03 -1.48644566e-02] [ 2.89950961e-03 -2.89950960e-03 -1.48644566e-02] [-3.28644334e-11 -4.51831628e-11 -3.79521414e-12] [ 5.81265908e-11 4.05839730e-11 -1.21837795e-11] [ 3.97303047e-02 -1.42243788e-02 9.64322338e-03] [-3.97303047e-02 1.42243788e-02 9.64322336e-03] [ 3.97303047e-02 -1.42243788e-02 -9.64322343e-03] [-3.97303047e-02 1.42243789e-02 -9.64322348e-03] [-1.42243788e-02 3.97303047e-02 9.64322342e-03] [-1.42243789e-02 3.97303047e-02 -9.64322349e-03] [ 1.42243788e-02 -3.97303047e-02 9.64322338e-03] [ 1.42243789e-02 -3.97303047e-02 -9.64322344e-03] [ 7.18050811e-03 7.18050811e-03 -4.43902692e-11] [ 2.70535395e-02 -2.70535394e-02 -5.97523229e-11] [-2.70535393e-02 2.70535395e-02 -2.86619565e-11] [-7.18050817e-03 -7.18050810e-03 -1.16840999e-11] [ 3.97303047e-02 -1.42243789e-02 9.64322349e-03] [-3.97303047e-02 1.42243789e-02 9.64322346e-03] [ 3.97303047e-02 -1.42243788e-02 -9.64322346e-03] [-3.97303047e-02 1.42243788e-02 -9.64322336e-03] [-1.42243789e-02 3.97303047e-02 9.64322345e-03] [-1.42243788e-02 3.97303047e-02 -9.64322338e-03] [ 1.42243788e-02 -3.97303048e-02 9.64322342e-03] [ 1.42243787e-02 -3.97303047e-02 -9.64322336e-03] [ 7.18050814e-03 7.18050811e-03 6.22363446e-11] [ 2.70535395e-02 -2.70535395e-02 5.77838543e-11] [-2.70535394e-02 2.70535395e-02 1.68283258e-11] [-7.18050813e-03 -7.18050813e-03 4.87749554e-12]] Final stress: [-1.16079673e-04 -1.16079673e-04 8.21461745e-04 6.12331766e-15 -1.08567104e-15 -6.09966317e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.64351705e-06 4.00377148e-05 3.13147945e-14] [-2.64351670e-06 -4.00377147e-05 5.31241717e-14] [ 4.00377147e-05 2.64351698e-06 3.35998590e-14] [-4.00377147e-05 -2.64351682e-06 -4.85722573e-14] [ 3.21249104e-14 4.54844495e-14 -4.85092233e-04] [-3.36675132e-14 1.31783473e-13 4.85092233e-04] [ 2.64351656e-06 4.00377147e-05 -1.08163215e-14] [-2.64351700e-06 -4.00377147e-05 -1.89036107e-14] [ 4.00377147e-05 2.64351632e-06 -5.20953791e-14] [-4.00377147e-05 -2.64351688e-06 7.79299649e-14] [-4.13631802e-14 -7.30880796e-14 -4.85092233e-04] [ 4.95059722e-14 -1.37564800e-13 4.85092233e-04] [-1.30665011e-04 -1.30665011e-04 -2.53440715e-04] [ 1.30665010e-04 1.30665011e-04 -2.53440714e-04] [ 1.82127695e-04 -1.82127695e-04 -3.91709328e-04] [-1.82127695e-04 1.82127695e-04 -3.91709328e-04] [-1.30665011e-04 -1.30665011e-04 2.53440715e-04] [ 1.30665011e-04 1.30665011e-04 2.53440715e-04] [-1.82127695e-04 1.82127695e-04 3.91709328e-04] [ 1.82127695e-04 -1.82127694e-04 3.91709328e-04] [-1.30665011e-04 -1.30665011e-04 -2.53440715e-04] [ 1.30665011e-04 1.30665011e-04 -2.53440715e-04] [ 1.82127695e-04 -1.82127695e-04 -3.91709328e-04] [-1.82127695e-04 1.82127695e-04 -3.91709328e-04] [-1.30665011e-04 -1.30665010e-04 2.53440715e-04] [ 1.30665011e-04 1.30665011e-04 2.53440715e-04] [-1.82127695e-04 1.82127695e-04 3.91709328e-04] [ 1.82127695e-04 -1.82127695e-04 3.91709328e-04] [-2.58432165e-13 -1.59233737e-13 7.57366392e-13] [ 3.64986253e-13 2.08113925e-13 -6.88073901e-13] [-3.70709955e-04 3.30471005e-05 -1.37129650e-04] [ 3.70709955e-04 -3.30471007e-05 -1.37129651e-04] [-3.70709955e-04 3.30471001e-05 1.37129650e-04] [ 3.70709955e-04 -3.30471000e-05 1.37129650e-04] [ 3.30471003e-05 -3.70709955e-04 -1.37129650e-04] [ 3.30471001e-05 -3.70709955e-04 1.37129650e-04] [-3.30471004e-05 3.70709955e-04 -1.37129650e-04] [-3.30471002e-05 3.70709955e-04 1.37129650e-04] [-5.86302142e-04 -5.86302142e-04 -3.66706665e-13] [-1.17091437e-04 1.17091437e-04 -5.34969638e-13] [ 1.17091437e-04 -1.17091437e-04 -3.31002586e-14] [ 5.86302142e-04 5.86302142e-04 -3.31325245e-13] [-3.70709955e-04 3.30471001e-05 -1.37129650e-04] [ 3.70709955e-04 -3.30470999e-05 -1.37129650e-04] [-3.70709955e-04 3.30471003e-05 1.37129650e-04] [ 3.70709955e-04 -3.30471007e-05 1.37129651e-04] [ 3.30470997e-05 -3.70709955e-04 -1.37129650e-04] [ 3.30471005e-05 -3.70709955e-04 1.37129650e-04] [-3.30471002e-05 3.70709955e-04 -1.37129650e-04] [-3.30471007e-05 3.70709955e-04 1.37129651e-04] [-5.86302142e-04 -5.86302142e-04 2.66498965e-13] [-1.17091437e-04 1.17091437e-04 2.75364807e-13] [ 1.17091437e-04 -1.17091437e-04 -5.95183116e-14] [ 5.86302142e-04 5.86302142e-04 5.12745228e-14]] Final stress: [-1.53592052e-05 -1.53592052e-05 1.31929439e-05 6.48409961e-17 4.82150997e-17 -1.60602122e-05] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.05929476e-02 -1.36016502e-12 1.48399348e-12] [ 1.05929476e-02 -8.63448202e-13 3.29264394e-13] [-9.82406864e-13 -8.71954832e-03 2.18614189e-14] [-9.34946565e-13 8.71954831e-03 3.58990615e-13] [ 9.51304140e-13 -1.34636313e-12 -8.71954831e-03] [-4.24882352e-13 -1.44459444e-12 8.71954831e-03] [-1.05929476e-02 -5.51398770e-13 3.26578509e-13] [ 1.05929476e-02 1.35749051e-13 8.17774911e-13] [-9.18357404e-13 -8.71954832e-03 -1.51954352e-12] [-1.23923007e-13 8.71954832e-03 -5.88372394e-13] [ 2.17119552e-12 6.13735237e-13 -8.71954832e-03] [ 8.98345200e-13 -1.14146887e-12 8.71954832e-03] [ 2.54488477e-03 -3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 -3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 -3.18825131e-03 3.18825131e-03] [-2.54488477e-03 3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 -3.18825131e-03 -3.18825131e-03] [ 2.54488477e-03 -3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 -3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 -3.18825131e-03 3.18825131e-03] [-2.54488477e-03 3.18825131e-03 3.18825131e-03] [ 2.54488477e-03 3.18825131e-03 -3.18825131e-03] [-2.54488477e-03 -3.18825131e-03 -3.18825131e-03] [-3.40871775e-12 -3.19286264e-12 -1.50587876e-12] [-5.68295411e-13 2.38255577e-12 -1.23800805e-13] [ 7.55062679e-13 -7.51601534e-03 -7.51601534e-03] [ 1.01059439e-12 7.51601535e-03 -7.51601534e-03] [-1.50146909e-12 -7.51601534e-03 7.51601534e-03] [-9.99891142e-13 7.51601534e-03 7.51601535e-03] [-2.47031714e-03 1.68376424e-12 -1.89860685e-04] [-2.47031714e-03 -5.65875471e-13 1.89860682e-04] [ 2.47031714e-03 3.68819558e-13 -1.89860678e-04] [ 2.47031714e-03 -1.27546758e-12 1.89860679e-04] [-2.47031715e-03 -1.89860679e-04 -2.48900900e-12] [ 2.47031715e-03 -1.89860675e-04 -1.22249433e-12] [-2.47031715e-03 1.89860679e-04 -9.33801647e-13] [ 2.47031714e-03 1.89860680e-04 1.70240037e-12] [ 2.84858942e-14 -7.51601534e-03 -7.51601534e-03] [-1.80848262e-12 7.51601534e-03 -7.51601534e-03] [ 5.61094140e-13 -7.51601534e-03 7.51601534e-03] [-1.30664403e-12 7.51601534e-03 7.51601535e-03] [-2.47031715e-03 6.64979442e-14 -1.89860681e-04] [-2.47031715e-03 -1.95772803e-12 1.89860679e-04] [ 2.47031715e-03 -2.83167587e-13 -1.89860678e-04] [ 2.47031714e-03 -5.36549971e-15 1.89860683e-04] [-2.47031714e-03 -1.89860681e-04 -2.02419682e-12] [ 2.47031714e-03 -1.89860683e-04 -4.03936819e-13] [-2.47031714e-03 1.89860684e-04 -1.06265697e-13] [ 2.47031714e-03 1.89860684e-04 1.07187696e-13]] Final stress: [ 3.77019889e-04 -3.86887664e-05 -3.86887664e-05 2.45566671e-15 4.83984144e-15 -1.62436451e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 7.23531977e-04 2.77787268e-11 -8.26831225e-12] [-7.23532062e-04 1.48647483e-11 7.79237785e-13] [-2.10994525e-11 7.23531960e-04 -1.10594823e-11] [-1.52858004e-11 -7.23532008e-04 -1.91947847e-11] [-3.01567094e-11 3.73528417e-11 -4.63133654e-02] [-1.78147219e-11 1.46874179e-11 4.63133653e-02] [ 7.23532007e-04 7.23939008e-12 5.48758498e-12] [-7.23532016e-04 2.64447964e-11 -1.89933714e-11] [ 9.53133839e-12 7.23532171e-04 3.27561238e-11] [-1.36764480e-11 -7.23531993e-04 -5.48454852e-12] [-2.14218734e-11 -3.30777596e-11 -4.63133655e-02] [ 6.73554094e-12 2.33607170e-11 4.63133654e-02] [ 5.15040002e-03 5.15039999e-03 1.48342865e-02] [-5.15039995e-03 -5.15039997e-03 1.48342864e-02] [-5.15039999e-03 5.15039998e-03 -1.48342865e-02] [ 5.15039994e-03 -5.15039993e-03 -1.48342865e-02] [ 5.15040002e-03 5.15039998e-03 -1.48342864e-02] [-5.15039994e-03 -5.15039991e-03 -1.48342864e-02] [ 5.15039993e-03 -5.15040002e-03 1.48342865e-02] [-5.15039999e-03 5.15040004e-03 1.48342865e-02] [ 5.15040000e-03 5.15039991e-03 1.48342865e-02] [-5.15039996e-03 -5.15039996e-03 1.48342865e-02] [-5.15039996e-03 5.15039991e-03 -1.48342865e-02] [ 5.15040002e-03 -5.15039998e-03 -1.48342865e-02] [ 5.15039999e-03 5.15039992e-03 -1.48342864e-02] [-5.15039999e-03 -5.15039997e-03 -1.48342865e-02] [ 5.15040007e-03 -5.15039995e-03 1.48342865e-02] [-5.15039994e-03 5.15039999e-03 1.48342865e-02] [-2.86180246e-11 8.47493742e-11 3.49720253e-14] [-1.85019279e-11 -1.34152716e-10 -8.98332381e-11] [ 4.54772886e-11 -9.37750389e-03 3.04578157e-03] [-1.01384325e-10 9.37750381e-03 3.04578149e-03] [ 1.63044377e-10 -9.37750382e-03 -3.04578155e-03] [-3.56470929e-12 9.37750368e-03 -3.04578140e-03] [-9.37750363e-03 -1.63030589e-10 3.04578117e-03] [-9.37750337e-03 -1.02760328e-10 -3.04578100e-03] [ 9.37750365e-03 -4.54463724e-12 3.04578130e-03] [ 9.37750355e-03 4.36362127e-11 -3.04578120e-03] [-3.40650264e-03 -3.40650203e-03 1.14127485e-10] [ 3.40650254e-03 -3.40650214e-03 1.02124817e-10] [-3.40650241e-03 3.40650224e-03 2.06506656e-10] [ 3.40650241e-03 3.40650223e-03 2.05845983e-11] [-2.44554793e-11 -9.37750345e-03 3.04578116e-03] [ 2.63721089e-11 9.37750337e-03 3.04578104e-03] [-5.92712619e-11 -9.37750368e-03 -3.04578137e-03] [ 9.73658246e-11 9.37750350e-03 -3.04578123e-03] [-9.37750377e-03 6.63045786e-11 3.04578149e-03] [-9.37750383e-03 -4.18836851e-12 -3.04578149e-03] [ 9.37750365e-03 -1.01200062e-10 3.04578139e-03] [ 9.37750395e-03 -2.09409890e-11 -3.04578163e-03] [-3.40650229e-03 -3.40650246e-03 -5.07466837e-11] [ 3.40650234e-03 -3.40650244e-03 -5.38156317e-11] [-3.40650223e-03 3.40650237e-03 5.28458246e-11] [ 3.40650190e-03 3.40650277e-03 -1.61815227e-11]] Final stress: [-2.52250159e-04 -2.52250159e-04 6.24418542e-04 3.26672751e-15 -5.36923655e-14 1.48839753e-14] Minimization converged after 39 steps. Minimization converged after 39 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.18996155e-04 4.93403061e-14 2.27300817e-14] [ 4.18996155e-04 -7.83262344e-14 -1.34392497e-13] [ 2.66601845e-13 -4.18996155e-04 3.51090251e-13] [ 3.89049903e-13 4.18996155e-04 1.45022883e-13] [ 8.48236412e-14 -2.13788622e-13 2.50366645e-04] [ 1.55736535e-13 3.40283357e-14 -2.50366646e-04] [-4.18996154e-04 8.52052803e-15 4.32426466e-14] [ 4.18996155e-04 3.20143651e-13 -3.29346945e-13] [-3.65792899e-13 -4.18996155e-04 -4.48469348e-13] [-8.03051202e-14 4.18996156e-04 -7.23240732e-14] [ 8.38734464e-14 -5.62115754e-14 2.50366644e-04] [-3.08581286e-14 -1.31315817e-13 -2.50366645e-04] [-7.43480922e-05 -7.43480926e-05 -2.94615080e-04] [ 7.43480928e-05 7.43480928e-05 -2.94615081e-04] [ 7.43480923e-05 -7.43480923e-05 2.94615080e-04] [-7.43480928e-05 7.43480928e-05 2.94615080e-04] [-7.43480926e-05 -7.43480923e-05 2.94615081e-04] [ 7.43480927e-05 7.43480921e-05 2.94615081e-04] [-7.43480922e-05 7.43480925e-05 -2.94615080e-04] [ 7.43480923e-05 -7.43480921e-05 -2.94615081e-04] [-7.43480943e-05 -7.43480924e-05 -2.94615080e-04] [ 7.43480929e-05 7.43480929e-05 -2.94615081e-04] [ 7.43480920e-05 -7.43480915e-05 2.94615080e-04] [-7.43480929e-05 7.43480928e-05 2.94615080e-04] [-7.43480931e-05 -7.43480923e-05 2.94615080e-04] [ 7.43480923e-05 7.43480924e-05 2.94615080e-04] [-7.43480932e-05 7.43480931e-05 -2.94615081e-04] [ 7.43480925e-05 -7.43480922e-05 -2.94615080e-04] [ 1.44081969e-12 -4.58105776e-13 2.34767761e-12] [-3.64309277e-14 -1.09023299e-12 2.66126250e-13] [-3.89688282e-14 -1.08167055e-04 -3.51796836e-05] [-1.15804241e-12 1.08167054e-04 -3.51796840e-05] [-5.26155508e-13 -1.08167055e-04 3.51796842e-05] [-7.85482790e-13 1.08167054e-04 3.51796845e-05] [-1.08167054e-04 9.47020240e-14 -3.51796828e-05] [-1.08167054e-04 5.41202499e-13 3.51796838e-05] [ 1.08167053e-04 5.97053657e-13 -3.51796853e-05] [ 1.08167053e-04 1.52695565e-13 3.51796852e-05] [ 6.07106525e-05 6.07106571e-05 3.69926312e-13] [-6.07106533e-05 6.07106551e-05 8.67814501e-13] [ 6.07106562e-05 -6.07106536e-05 1.21135046e-12] [-6.07106559e-05 -6.07106535e-05 7.65089381e-13] [ 1.96405826e-13 -1.08167054e-04 -3.51796833e-05] [ 2.34404076e-13 1.08167051e-04 -3.51796863e-05] [ 2.50875709e-14 -1.08167055e-04 3.51796831e-05] [ 1.01556524e-12 1.08167052e-04 3.51796855e-05] [-1.08167053e-04 -1.11687150e-13 -3.51796850e-05] [-1.08167054e-04 1.23074294e-14 3.51796836e-05] [ 1.08167054e-04 -9.13880516e-13 -3.51796837e-05] [ 1.08167054e-04 -1.07291346e-13 3.51796830e-05] [ 6.07106548e-05 6.07106533e-05 1.45457538e-13] [-6.07106529e-05 6.07106551e-05 2.07116639e-13] [ 6.07106555e-05 -6.07106533e-05 4.48989055e-13] [-6.07106536e-05 -6.07106547e-05 -2.76023562e-13]] Final stress: [-6.39225599e-07 -6.39225599e-07 -2.68955421e-05 -6.46753115e-16 6.13501027e-16 -3.75748596e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.78432818e-04 -4.11836364e-14 1.44220139e-13] [-1.78432818e-04 3.72757381e-13 -5.70599124e-13] [-7.72654510e-13 -6.61407995e-04 2.02848155e-13] [-5.77871084e-13 6.61407995e-04 3.24462679e-14] [-2.76615536e-13 6.40763050e-13 1.78432817e-04] [-3.35120820e-13 5.48838752e-13 -1.78432817e-04] [ 1.78432815e-04 6.96066468e-14 -5.39958030e-15] [-1.78432817e-04 2.17982750e-13 -8.82119431e-14] [ 3.36151246e-13 -6.61407992e-04 3.30091496e-13] [-4.85102410e-14 6.61407994e-04 -4.49901408e-13] [-3.55303460e-13 -3.92260285e-13 1.78432814e-04] [ 7.54114653e-14 -1.49448735e-13 -1.78432818e-04] [ 8.29758124e-05 2.87319707e-04 8.29758129e-05] [-8.29758122e-05 -2.87319707e-04 8.29758132e-05] [-8.29758142e-05 2.87319708e-04 -8.29758142e-05] [ 8.29758134e-05 -2.87319707e-04 -8.29758131e-05] [ 8.29758128e-05 2.87319707e-04 -8.29758118e-05] [-8.29758142e-05 -2.87319708e-04 -8.29758139e-05] [ 8.29758118e-05 -2.87319706e-04 8.29758121e-05] [-8.29758136e-05 2.87319707e-04 8.29758134e-05] [ 8.29758141e-05 2.87319708e-04 8.29758143e-05] [-8.29758127e-05 -2.87319707e-04 8.29758113e-05] [-8.29758128e-05 2.87319705e-04 -8.29758123e-05] [ 8.29758145e-05 -2.87319707e-04 -8.29758130e-05] [ 8.29758140e-05 2.87319706e-04 -8.29758131e-05] [-8.29758130e-05 -2.87319707e-04 -8.29758126e-05] [ 8.29758147e-05 -2.87319707e-04 8.29758144e-05] [-8.29758127e-05 2.87319706e-04 8.29758140e-05] [-2.40565901e-12 1.20736754e-14 -6.45483667e-13] [ 2.78391199e-12 -3.44926548e-13 3.15830711e-12] [ 1.65090164e-13 -3.17711111e-06 -4.88459277e-05] [-7.04099973e-13 3.17710734e-06 -4.88459308e-05] [ 1.17088284e-12 -3.17710675e-06 4.88459296e-05] [-5.82277282e-13 3.17710520e-06 4.88459325e-05] [-1.18842674e-04 -2.89912538e-12 -1.18842680e-04] [-1.18842676e-04 -1.30151445e-12 1.18842678e-04] [ 1.18842674e-04 4.70417108e-13 -1.18842678e-04] [ 1.18842675e-04 -1.13867249e-14 1.18842678e-04] [-4.88459342e-05 -3.17710373e-06 1.43607348e-12] [ 4.88459340e-05 -3.17710350e-06 1.10514028e-13] [-4.88459372e-05 3.17710159e-06 6.40817260e-13] [ 4.88459358e-05 3.17710356e-06 4.14097576e-13] [ 5.30945080e-13 -3.17710362e-06 -4.88459360e-05] [-4.95091815e-13 3.17710502e-06 -4.88459348e-05] [-4.09558238e-13 -3.17710265e-06 4.88459367e-05] [ 3.54737940e-14 3.17710368e-06 4.88459352e-05] [-1.18842677e-04 1.11239963e-12 -1.18842674e-04] [-1.18842679e-04 8.24321948e-13 1.18842673e-04] [ 1.18842678e-04 1.49597565e-12 -1.18842674e-04] [ 1.18842681e-04 1.70824205e-12 1.18842672e-04] [-4.88459320e-05 -3.17710778e-06 -6.65458648e-13] [ 4.88459337e-05 -3.17710608e-06 1.78953311e-13] [-4.88459310e-05 3.17710732e-06 -1.05589573e-12] [ 4.88459286e-05 3.17711004e-06 -1.97298341e-13]] Final stress: [ 2.69278458e-06 2.90621222e-05 2.69278458e-06 1.94507439e-16 1.96169896e-16 -9.39288062e-16] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-4.58403026e-04 1.96541568e-13 -2.00466380e-13] [ 4.58403026e-04 -1.32172051e-13 5.32907052e-14] [ 2.39656819e-13 1.65474057e-04 1.94986822e-13] [ 8.21648305e-13 -1.65474057e-04 7.72992781e-14] [ 5.08313010e-14 2.74712544e-13 -4.58403027e-04] [ 4.11892742e-14 1.03167475e-13 4.58403026e-04] [-4.58403028e-04 -2.86307436e-14 1.40287871e-13] [ 4.58403027e-04 2.10651808e-13 5.76670703e-14] [-2.08266564e-14 1.65474058e-04 1.60608246e-15] [-4.27221626e-13 -1.65474057e-04 1.86555422e-13] [-3.11401512e-13 1.21672334e-13 -4.58403028e-04] [-1.36821110e-13 3.90643908e-14 4.58403026e-04] [-6.93753023e-05 -2.90853036e-04 -6.93753024e-05] [ 6.93753023e-05 2.90853036e-04 -6.93753020e-05] [ 6.93753025e-05 -2.90853035e-04 6.93753018e-05] [-6.93753020e-05 2.90853036e-04 6.93753020e-05] [-6.93753019e-05 -2.90853036e-04 6.93753014e-05] [ 6.93753026e-05 2.90853036e-04 6.93753023e-05] [-6.93753021e-05 2.90853036e-04 -6.93753025e-05] [ 6.93753023e-05 -2.90853036e-04 -6.93753019e-05] [-6.93753028e-05 -2.90853037e-04 -6.93753027e-05] [ 6.93753020e-05 2.90853036e-04 -6.93753021e-05] [ 6.93753012e-05 -2.90853036e-04 6.93753014e-05] [-6.93753020e-05 2.90853036e-04 6.93753020e-05] [-6.93753027e-05 -2.90853036e-04 6.93753018e-05] [ 6.93753017e-05 2.90853036e-04 6.93753020e-05] [-6.93753020e-05 2.90853037e-04 -6.93753028e-05] [ 6.93753019e-05 -2.90853037e-04 -6.93753019e-05] [ 1.01305075e-12 -1.94871896e-13 1.61939906e-12] [ 7.71400738e-13 -6.86759273e-13 1.34367056e-12] [-1.43440815e-13 -5.44924689e-05 -1.28960645e-04] [-6.79683740e-13 5.44924700e-05 -1.28960643e-04] [ 5.87932480e-14 -5.44924697e-05 1.28960644e-04] [-3.43966175e-13 5.44924696e-05 1.28960644e-04] [ 4.92567599e-05 -1.90736316e-13 4.92567631e-05] [ 4.92567597e-05 1.38011130e-13 -4.92567632e-05] [-4.92567617e-05 3.60841565e-13 4.92567603e-05] [-4.92567605e-05 6.18446266e-13 -4.92567611e-05] [-1.28960643e-04 -5.44924702e-05 6.51700915e-13] [ 1.28960643e-04 -5.44924711e-05 -1.39541156e-13] [-1.28960643e-04 5.44924706e-05 9.71249123e-13] [ 1.28960643e-04 5.44924712e-05 5.73086717e-13] [ 5.52658180e-13 -5.44924710e-05 -1.28960643e-04] [ 6.44843987e-13 5.44924711e-05 -1.28960643e-04] [ 4.02536077e-13 -5.44924715e-05 1.28960644e-04] [ 4.98010053e-13 5.44924713e-05 1.28960643e-04] [ 4.92567621e-05 -2.57564251e-13 4.92567606e-05] [ 4.92567620e-05 -1.86964159e-14 -4.92567601e-05] [-4.92567622e-05 -5.29436738e-13 4.92567609e-05] [-4.92567618e-05 -5.73750249e-13 -4.92567618e-05] [-1.28960643e-04 -5.44924710e-05 1.41660302e-13] [ 1.28960645e-04 -5.44924692e-05 -3.90010283e-13] [-1.28960644e-04 5.44924701e-05 1.10333630e-12] [ 1.28960646e-04 5.44924681e-05 4.39808346e-13]] Final stress: [-2.87726879e-07 -2.62817114e-05 -2.87726879e-07 3.49146926e-16 6.98293852e-17 4.98781323e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.92504592e-04 8.65627015e-15 -1.81454244e-13] [-3.92504593e-04 -1.31172850e-13 -1.19182442e-13] [ 2.37521374e-13 -1.13503796e-05 -2.25861009e-04] [ 2.92738056e-13 1.13503796e-05 2.25861009e-04] [ 1.39570213e-13 -2.25861009e-04 -1.13503793e-05] [-4.49917881e-14 2.25861009e-04 1.13503787e-05] [ 3.92504593e-04 -3.01204374e-14 1.14664204e-13] [-3.92504592e-04 1.19123895e-13 1.41895746e-13] [-3.57860443e-14 -1.13503795e-05 -2.25861009e-04] [-1.88808604e-13 1.13503792e-05 2.25861009e-04] [ 2.03730262e-14 -2.25861009e-04 -1.13503790e-05] [ 1.15810139e-13 2.25861009e-04 1.13503791e-05] [ 9.70446575e-05 1.76954032e-04 1.76954032e-04] [ 1.96793289e-04 -1.11954511e-04 1.11954510e-04] [ 1.96793290e-04 1.11954510e-04 -1.11954510e-04] [ 9.70446573e-05 -1.76954032e-04 -1.76954032e-04] [-1.96793290e-04 1.11954511e-04 -1.11954511e-04] [-9.70446572e-05 -1.76954032e-04 -1.76954032e-04] [-1.96793290e-04 -1.11954511e-04 1.11954511e-04] [-9.70446575e-05 1.76954032e-04 1.76954032e-04] [ 9.70446572e-05 1.76954032e-04 1.76954032e-04] [ 1.96793290e-04 -1.11954511e-04 1.11954511e-04] [ 1.96793289e-04 1.11954510e-04 -1.11954511e-04] [ 9.70446571e-05 -1.76954032e-04 -1.76954032e-04] [-1.96793290e-04 1.11954511e-04 -1.11954511e-04] [-9.70446576e-05 -1.76954032e-04 -1.76954032e-04] [-1.96793290e-04 -1.11954510e-04 1.11954511e-04] [-9.70446577e-05 1.76954032e-04 1.76954032e-04] [ 5.53196378e-13 -1.40221168e-13 5.88418203e-15] [-8.87128912e-13 1.74751296e-13 5.94572411e-15] [-2.98094882e-13 6.05006175e-04 6.05006174e-04] [-2.03476125e-13 7.11499129e-05 -7.11499132e-05] [ 4.52388127e-13 -7.11499130e-05 7.11499131e-05] [ 2.54921084e-13 -6.05006174e-04 -6.05006176e-04] [-1.70580957e-04 2.65926401e-04 2.93542057e-04] [-1.70580958e-04 -2.65926400e-04 -2.93542058e-04] [ 1.70580957e-04 2.65926401e-04 2.93542058e-04] [ 1.70580958e-04 -2.65926400e-04 -2.93542058e-04] [-1.70580957e-04 2.93542057e-04 2.65926401e-04] [ 1.70580957e-04 2.93542057e-04 2.65926401e-04] [-1.70580956e-04 -2.93542057e-04 -2.65926400e-04] [ 1.70580956e-04 -2.93542056e-04 -2.65926401e-04] [ 4.70477823e-13 6.05006174e-04 6.05006176e-04] [ 4.83097937e-13 7.11499131e-05 -7.11499124e-05] [-1.12661182e-13 -7.11499137e-05 7.11499122e-05] [ 9.12347455e-14 -6.05006175e-04 -6.05006175e-04] [-1.70580957e-04 2.65926400e-04 2.93542058e-04] [-1.70580956e-04 -2.65926401e-04 -2.93542057e-04] [ 1.70580956e-04 2.65926401e-04 2.93542057e-04] [ 1.70580957e-04 -2.65926401e-04 -2.93542058e-04] [-1.70580957e-04 2.93542057e-04 2.65926401e-04] [ 1.70580957e-04 2.93542057e-04 2.65926401e-04] [-1.70580958e-04 -2.93542058e-04 -2.65926401e-04] [ 1.70580957e-04 -2.93542057e-04 -2.65926400e-04]] Final stress: [-1.37202702e-05 9.38209771e-06 9.38209771e-06 7.74728482e-06 4.98748098e-17 -7.97996957e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 1.26669893e-03 -2.81732103e-13 -5.13735322e-13] [-1.26669893e-03 3.28181926e-13 -1.20092825e-12] [ 9.70471099e-13 -1.59284444e-03 7.38855306e-04] [ 1.42075240e-12 1.59284445e-03 -7.38855302e-04] [-1.04767497e-12 7.38855306e-04 -1.59284444e-03] [-4.73537876e-13 -7.38855303e-04 1.59284444e-03] [ 1.26669893e-03 1.43900950e-12 8.18641169e-14] [-1.26669892e-03 8.76898380e-14 3.49927208e-13] [ 1.91748527e-13 -1.59284444e-03 7.38855303e-04] [-9.56207769e-13 1.59284444e-03 -7.38855305e-04] [ 4.79677062e-13 7.38855302e-04 -1.59284444e-03] [ 8.18295084e-14 -7.38855302e-04 1.59284444e-03] [-2.25843097e-04 1.25000034e-03 1.25000034e-03] [-5.16129834e-04 -2.95809846e-04 2.95809841e-04] [-5.16129834e-04 2.95809845e-04 -2.95809840e-04] [-2.25843101e-04 -1.25000034e-03 -1.25000034e-03] [ 5.16129833e-04 2.95809846e-04 -2.95809846e-04] [ 2.25843099e-04 -1.25000034e-03 -1.25000034e-03] [ 5.16129834e-04 -2.95809844e-04 2.95809844e-04] [ 2.25843094e-04 1.25000034e-03 1.25000034e-03] [-2.25843096e-04 1.25000034e-03 1.25000034e-03] [-5.16129835e-04 -2.95809843e-04 2.95809844e-04] [-5.16129836e-04 2.95809841e-04 -2.95809848e-04] [-2.25843092e-04 -1.25000034e-03 -1.25000034e-03] [ 5.16129833e-04 2.95809842e-04 -2.95809847e-04] [ 2.25843094e-04 -1.25000034e-03 -1.25000034e-03] [ 5.16129831e-04 -2.95809843e-04 2.95809842e-04] [ 2.25843095e-04 1.25000034e-03 1.25000034e-03] [ 2.87819768e-12 7.54007967e-13 6.37589981e-12] [-1.98287177e-12 -3.92119408e-12 1.04913409e-12] [ 3.21009885e-12 5.28043882e-04 5.28043856e-04] [-5.96892327e-13 -2.30874812e-03 2.30874812e-03] [-5.68680519e-13 2.30874812e-03 -2.30874812e-03] [-2.66927279e-12 -5.28043864e-04 -5.28043872e-04] [-1.66640837e-03 -2.83665784e-03 2.86974125e-03] [-1.66640838e-03 2.83665784e-03 -2.86974124e-03] [ 1.66640836e-03 -2.83665784e-03 2.86974123e-03] [ 1.66640837e-03 2.83665784e-03 -2.86974124e-03] [-1.66640836e-03 2.86974123e-03 -2.83665784e-03] [ 1.66640836e-03 2.86974123e-03 -2.83665784e-03] [-1.66640836e-03 -2.86974124e-03 2.83665783e-03] [ 1.66640836e-03 -2.86974123e-03 2.83665784e-03] [ 2.82186774e-12 5.28043861e-04 5.28043873e-04] [ 1.61484888e-12 -2.30874812e-03 2.30874812e-03] [ 7.35968795e-12 2.30874812e-03 -2.30874812e-03] [ 4.60457497e-12 -5.28043858e-04 -5.28043869e-04] [-1.66640836e-03 -2.83665784e-03 2.86974124e-03] [-1.66640836e-03 2.83665784e-03 -2.86974124e-03] [ 1.66640836e-03 -2.83665784e-03 2.86974124e-03] [ 1.66640835e-03 2.83665783e-03 -2.86974123e-03] [-1.66640836e-03 2.86974123e-03 -2.83665783e-03] [ 1.66640837e-03 2.86974124e-03 -2.83665784e-03] [-1.66640837e-03 -2.86974125e-03 2.83665785e-03] [ 1.66640838e-03 -2.86974124e-03 2.83665784e-03]] Final stress: [-7.60814271e-05 9.37299015e-06 9.37299015e-06 -2.60933555e-06 8.61171717e-16 2.34245357e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.28271608e-04 -1.60018266e-13 1.17153249e-13] [ 4.28271608e-04 -2.55073740e-14 -7.49678097e-14] [ 1.51371971e-14 -4.15522245e-06 -1.15239715e-04] [ 2.28594921e-13 4.15522319e-06 1.15239715e-04] [ 1.91625795e-13 -1.15239715e-04 -4.15522324e-06] [ 1.90736316e-13 1.15239715e-04 4.15522257e-06] [-4.28271609e-04 -5.78530279e-16 7.53827190e-14] [ 4.28271609e-04 3.52656272e-14 8.40022236e-14] [-4.07009496e-14 -4.15522309e-06 -1.15239715e-04] [-6.48383257e-14 4.15522276e-06 1.15239715e-04] [-2.41937113e-13 -1.15239715e-04 -4.15522256e-06] [-7.51443179e-14 1.15239715e-04 4.15522240e-06] [ 2.73929868e-04 -1.45039747e-04 -1.45039747e-04] [ 1.60624139e-04 1.51245740e-04 -1.51245739e-04] [ 1.60624139e-04 -1.51245739e-04 1.51245739e-04] [ 2.73929868e-04 1.45039747e-04 1.45039746e-04] [-1.60624139e-04 -1.51245740e-04 1.51245739e-04] [-2.73929868e-04 1.45039747e-04 1.45039747e-04] [-1.60624139e-04 1.51245739e-04 -1.51245739e-04] [-2.73929868e-04 -1.45039747e-04 -1.45039747e-04] [ 2.73929868e-04 -1.45039747e-04 -1.45039747e-04] [ 1.60624139e-04 1.51245739e-04 -1.51245740e-04] [ 1.60624139e-04 -1.51245739e-04 1.51245739e-04] [ 2.73929868e-04 1.45039747e-04 1.45039747e-04] [-1.60624139e-04 -1.51245740e-04 1.51245739e-04] [-2.73929868e-04 1.45039747e-04 1.45039747e-04] [-1.60624139e-04 1.51245740e-04 -1.51245740e-04] [-2.73929868e-04 -1.45039747e-04 -1.45039747e-04] [ 4.77368145e-13 -6.44512221e-13 4.50334214e-13] [-1.02071997e-13 2.02603280e-13 4.85933351e-13] [ 2.44249065e-13 8.12137026e-05 8.12136992e-05] [-2.47225851e-13 5.78535390e-04 -5.78535391e-04] [-9.22959625e-14 -5.78535390e-04 5.78535392e-04] [-1.40790157e-14 -8.12137006e-05 -8.12137007e-05] [ 1.27847691e-05 2.87726268e-04 -1.29090374e-04] [ 1.27847679e-05 -2.87726268e-04 1.29090373e-04] [-1.27847699e-05 2.87726268e-04 -1.29090375e-04] [-1.27847678e-05 -2.87726268e-04 1.29090373e-04] [ 1.27847688e-05 -1.29090374e-04 2.87726268e-04] [-1.27847690e-05 -1.29090375e-04 2.87726268e-04] [ 1.27847688e-05 1.29090374e-04 -2.87726268e-04] [-1.27847682e-05 1.29090374e-04 -2.87726268e-04] [-1.35698744e-15 8.12137006e-05 8.12137009e-05] [ 1.13212391e-14 5.78535392e-04 -5.78535390e-04] [ 9.36117503e-14 -5.78535390e-04 5.78535392e-04] [ 5.93688293e-13 -8.12137008e-05 -8.12137002e-05] [ 1.27847687e-05 2.87726268e-04 -1.29090374e-04] [ 1.27847696e-05 -2.87726268e-04 1.29090375e-04] [-1.27847692e-05 2.87726267e-04 -1.29090375e-04] [-1.27847695e-05 -2.87726268e-04 1.29090375e-04] [ 1.27847687e-05 -1.29090374e-04 2.87726269e-04] [-1.27847684e-05 -1.29090373e-04 2.87726269e-04] [ 1.27847680e-05 1.29090373e-04 -2.87726267e-04] [-1.27847681e-05 1.29090373e-04 -2.87726268e-04]] Final stress: [ 1.38885091e-05 -1.01638519e-05 -1.01638519e-05 8.90388152e-06 7.48155372e-17 -2.61023096e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.29954924e-04 9.67494314e-14 -8.86868703e-14] [ 4.29954924e-04 1.68171033e-13 -1.01030295e-14] [ 3.88994392e-14 -5.28962691e-06 1.10618615e-04] [-2.01227923e-14 5.28962684e-06 -1.10618615e-04] [-3.69556816e-14 1.10618615e-04 -5.28962674e-06] [-8.56259508e-14 -1.10618615e-04 5.28962591e-06] [-4.29954925e-04 -4.25375880e-14 3.91391986e-14] [ 4.29954924e-04 -9.41729333e-14 1.38548837e-13] [-9.70456354e-14 -5.28962604e-06 1.10618615e-04] [ 8.66754585e-14 5.28962648e-06 -1.10618615e-04] [ 9.54882874e-14 1.10618615e-04 -5.28962728e-06] [-3.90516612e-14 -1.10618615e-04 5.28962705e-06] [-1.63274351e-04 -1.50197523e-04 -1.50197523e-04] [-2.77715823e-04 1.46007723e-04 -1.46007724e-04] [-2.77715823e-04 -1.46007723e-04 1.46007723e-04] [-1.63274351e-04 1.50197523e-04 1.50197523e-04] [ 2.77715822e-04 -1.46007723e-04 1.46007724e-04] [ 1.63274352e-04 1.50197523e-04 1.50197523e-04] [ 2.77715822e-04 1.46007724e-04 -1.46007724e-04] [ 1.63274351e-04 -1.50197523e-04 -1.50197523e-04] [-1.63274352e-04 -1.50197523e-04 -1.50197523e-04] [-2.77715822e-04 1.46007724e-04 -1.46007723e-04] [-2.77715822e-04 -1.46007724e-04 1.46007723e-04] [-1.63274351e-04 1.50197523e-04 1.50197523e-04] [ 2.77715823e-04 -1.46007724e-04 1.46007723e-04] [ 1.63274351e-04 1.50197523e-04 1.50197523e-04] [ 2.77715822e-04 1.46007724e-04 -1.46007723e-04] [ 1.63274352e-04 -1.50197523e-04 -1.50197523e-04] [ 1.47187817e-13 3.85413923e-13 7.80403520e-13] [ 7.59208234e-13 -3.14721365e-13 3.88404771e-13] [-4.56967797e-13 -5.77471890e-04 -5.77471893e-04] [ 3.38180872e-13 -8.22575308e-05 8.22575281e-05] [-9.68669589e-13 8.22575283e-05 -8.22575308e-05] [-3.16833365e-13 5.77471892e-04 5.77471891e-04] [ 5.85702324e-06 -2.88082290e-04 -1.21268007e-04] [ 5.85702052e-06 2.88082290e-04 1.21268005e-04] [-5.85702429e-06 -2.88082290e-04 -1.21268008e-04] [-5.85702204e-06 2.88082289e-04 1.21268007e-04] [ 5.85702133e-06 -1.21268005e-04 -2.88082291e-04] [-5.85702151e-06 -1.21268005e-04 -2.88082290e-04] [ 5.85702127e-06 1.21268005e-04 2.88082289e-04] [-5.85702257e-06 1.21268006e-04 2.88082289e-04] [ 7.88669911e-13 -5.77471892e-04 -5.77471892e-04] [ 1.89081389e-13 -8.22575296e-05 8.22575292e-05] [ 6.37914634e-13 8.22575311e-05 -8.22575276e-05] [ 5.26172422e-13 5.77471890e-04 5.77471893e-04] [ 5.85702187e-06 -2.88082290e-04 -1.21268006e-04] [ 5.85702312e-06 2.88082289e-04 1.21268007e-04] [-5.85702033e-06 -2.88082289e-04 -1.21268004e-04] [-5.85702339e-06 2.88082290e-04 1.21268007e-04] [ 5.85702210e-06 -1.21268006e-04 -2.88082289e-04] [-5.85702150e-06 -1.21268006e-04 -2.88082289e-04] [ 5.85702330e-06 1.21268007e-04 2.88082291e-04] [-5.85702140e-06 1.21268006e-04 2.88082291e-04]] Final stress: [ 1.39046360e-05 -1.01944810e-05 -1.01944810e-05 -8.95221243e-06 1.21367427e-16 -1.71244452e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.25816082e-04 1.66263271e-13 -6.96377191e-05] [-4.25816081e-04 -6.01463324e-14 6.96377189e-05] [-1.68832396e-13 -3.26492068e-05 -4.48035706e-15] [-3.56104035e-14 3.26492068e-05 -1.03500541e-13] [-6.93464638e-05 -9.14199272e-14 -3.21117842e-05] [ 6.93464640e-05 4.50750548e-14 3.21117841e-05] [ 4.25816082e-04 -1.86864847e-13 -6.96377190e-05] [-4.25816082e-04 1.35636728e-13 6.96377191e-05] [ 3.86129063e-13 -3.26492074e-05 -1.30715923e-13] [ 9.19720029e-14 3.26492069e-05 8.37381379e-14] [-6.93464639e-05 9.74125810e-14 -3.21117848e-05] [ 6.93464638e-05 -7.12748484e-14 3.21117845e-05] [-7.75243590e-05 3.84887990e-04 1.26731090e-04] [ 3.69031471e-05 9.08886870e-05 1.67748440e-04] [ 7.75243587e-05 3.84887990e-04 -1.26731091e-04] [-3.69031476e-05 9.08886866e-05 -1.67748440e-04] [-3.69031476e-05 -9.08886870e-05 -1.67748440e-04] [ 7.75243585e-05 -3.84887990e-04 -1.26731090e-04] [-7.75243590e-05 -3.84887989e-04 1.26731090e-04] [ 3.69031475e-05 -9.08886868e-05 1.67748440e-04] [-7.75243590e-05 3.84887990e-04 1.26731091e-04] [ 3.69031479e-05 9.08886867e-05 1.67748440e-04] [ 7.75243591e-05 3.84887989e-04 -1.26731090e-04] [-3.69031477e-05 9.08886870e-05 -1.67748440e-04] [-3.69031478e-05 -9.08886866e-05 -1.67748440e-04] [ 7.75243592e-05 -3.84887990e-04 -1.26731090e-04] [-7.75243590e-05 -3.84887990e-04 1.26731091e-04] [ 3.69031476e-05 -9.08886867e-05 1.67748440e-04] [-4.47697435e-13 1.10439435e-13 -1.99867900e-13] [ 3.70761147e-13 3.08888670e-13 2.22714677e-13] [ 3.30956080e-04 2.40514829e-04 2.40601683e-04] [ 3.30956080e-04 -2.40514829e-04 2.40601683e-04] [-3.30956079e-04 2.40514828e-04 -2.40601684e-04] [-3.30956079e-04 -2.40514828e-04 -2.40601685e-04] [ 3.46175209e-04 1.61981539e-13 3.97004379e-04] [-2.81913399e-04 -3.52761223e-13 2.31283338e-04] [ 2.81913400e-04 7.80077392e-13 -2.31283337e-04] [-3.46175207e-04 6.48543719e-13 -3.97004383e-04] [ 3.21042526e-05 8.27475332e-05 3.30655481e-04] [-3.21042529e-05 8.27475327e-05 -3.30655482e-04] [ 3.21042538e-05 -8.27475319e-05 3.30655481e-04] [-3.21042532e-05 -8.27475324e-05 -3.30655482e-04] [ 3.30956079e-04 2.40514829e-04 2.40601683e-04] [ 3.30956079e-04 -2.40514830e-04 2.40601683e-04] [-3.30956080e-04 2.40514830e-04 -2.40601682e-04] [-3.30956079e-04 -2.40514831e-04 -2.40601682e-04] [ 3.46175206e-04 -7.49463955e-14 3.97004383e-04] [-2.81913401e-04 -1.29280267e-15 2.31283336e-04] [ 2.81913402e-04 -5.94008349e-13 -2.31283336e-04] [-3.46175207e-04 -3.52740840e-13 -3.97004381e-04] [ 3.21042538e-05 8.27475315e-05 3.30655482e-04] [-3.21042551e-05 8.27475302e-05 -3.30655481e-04] [ 3.21042530e-05 -8.27475320e-05 3.30655482e-04] [-3.21042552e-05 -8.27475299e-05 -3.30655481e-04]] Final stress: [-1.44093922e-05 1.01394452e-05 1.01439865e-05 -6.31747591e-17 9.40519717e-06 -8.64496704e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.82679290e-04 -2.71215342e-14 1.43762653e-04] [-3.82679289e-04 -3.25156568e-13 -1.43762653e-04] [ 1.28070297e-14 -8.91797393e-05 2.32769533e-14] [ 2.41001663e-13 8.91797390e-05 -4.46864767e-14] [ 1.43445100e-04 -1.71859488e-13 -8.86406753e-05] [-1.43445100e-04 2.15383267e-14 8.86406754e-05] [ 3.82679289e-04 1.98376905e-13 1.43762653e-04] [-3.82679289e-04 6.14677580e-14 -1.43762653e-04] [ 5.09310476e-14 -8.91797390e-05 9.43596544e-15] [-1.65632699e-13 8.91797392e-05 3.53993100e-14] [ 1.43445099e-04 6.66582873e-14 -8.86406756e-05] [-1.43445099e-04 1.27210876e-14 8.86406750e-05] [-2.21064516e-05 -2.29095183e-05 1.67980233e-04] [ 5.70081591e-05 -3.22950568e-04 1.32523368e-04] [ 2.21064518e-05 -2.29095179e-05 -1.67980233e-04] [-5.70081590e-05 -3.22950568e-04 -1.32523368e-04] [-5.70081589e-05 3.22950568e-04 -1.32523368e-04] [ 2.21064518e-05 2.29095175e-05 -1.67980233e-04] [-2.21064521e-05 2.29095179e-05 1.67980233e-04] [ 5.70081591e-05 3.22950567e-04 1.32523368e-04] [-2.21064514e-05 -2.29095176e-05 1.67980233e-04] [ 5.70081591e-05 -3.22950568e-04 1.32523368e-04] [ 2.21064520e-05 -2.29095178e-05 -1.67980233e-04] [-5.70081593e-05 -3.22950568e-04 -1.32523368e-04] [-5.70081590e-05 3.22950568e-04 -1.32523368e-04] [ 2.21064517e-05 2.29095180e-05 -1.67980233e-04] [-2.21064516e-05 2.29095181e-05 1.67980232e-04] [ 5.70081590e-05 3.22950567e-04 1.32523368e-04] [-5.57137669e-13 -2.52436960e-13 -2.16771046e-14] [ 1.93230848e-13 -3.33202193e-14 7.59330746e-13] [-3.61749518e-04 2.62990724e-04 2.63102561e-04] [-3.61749517e-04 -2.62990723e-04 2.63102562e-04] [ 3.61749518e-04 2.62990723e-04 -2.63102562e-04] [ 3.61749519e-04 -2.62990722e-04 -2.63102563e-04] [-4.19169421e-04 7.47624185e-13 -3.36497949e-05] [ 1.74111337e-04 4.39193820e-13 -5.60123872e-04] [-1.74111337e-04 2.29856065e-13 5.60123871e-04] [ 4.19169422e-04 -2.59004623e-13 3.36497944e-05] [-1.22534499e-04 2.63120016e-04 -3.61450996e-04] [ 1.22534499e-04 2.63120018e-04 3.61450995e-04] [-1.22534499e-04 -2.63120017e-04 -3.61450996e-04] [ 1.22534500e-04 -2.63120018e-04 3.61450995e-04] [-3.61749519e-04 2.62990722e-04 2.63102563e-04] [-3.61749518e-04 -2.62990721e-04 2.63102563e-04] [ 3.61749517e-04 2.62990723e-04 -2.63102563e-04] [ 3.61749517e-04 -2.62990723e-04 -2.63102562e-04] [-4.19169422e-04 3.48038234e-13 -3.36497947e-05] [ 1.74111338e-04 2.55866725e-13 -5.60123871e-04] [-1.74111338e-04 4.13926705e-14 5.60123871e-04] [ 4.19169420e-04 2.63222603e-14 3.36497966e-05] [-1.22534500e-04 2.63120018e-04 -3.61450995e-04] [ 1.22534499e-04 2.63120017e-04 3.61450996e-04] [-1.22534500e-04 -2.63120018e-04 -3.61450996e-04] [ 1.22534501e-04 -2.63120020e-04 3.61450996e-04]] Final stress: [-1.41373773e-05 9.45187915e-06 9.45590205e-06 -1.71236847e-16 -8.65156971e-06 1.72899341e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.11392198e-04 -8.89102160e-14 -1.83189430e-05] [ 4.11392197e-04 -1.83186799e-14 1.83189427e-05] [ 5.55996221e-14 8.80343571e-05 2.66067550e-14] [-1.91929805e-13 -8.80343569e-05 3.05033776e-14] [-1.85213926e-05 1.49750871e-13 8.86067274e-05] [ 1.85213920e-05 -4.65461003e-14 -8.86067277e-05] [-4.11392199e-04 8.77466502e-15 -1.83189427e-05] [ 4.11392198e-04 5.10399015e-14 1.83189430e-05] [ 4.63899752e-14 8.80343572e-05 1.53275242e-13] [ 2.24603322e-15 -8.80343570e-05 1.48581555e-14] [-1.85213919e-05 -1.03206588e-14 8.86067279e-05] [ 1.85213921e-05 1.18576933e-13 -8.86067285e-05] [-1.03042290e-05 9.38290170e-05 -2.09783874e-04] [-1.00247924e-04 4.03707377e-04 -9.95469378e-05] [ 1.03042287e-05 9.38290174e-05 2.09783873e-04] [ 1.00247924e-04 4.03707377e-04 9.95469378e-05] [ 1.00247924e-04 -4.03707377e-04 9.95469378e-05] [ 1.03042286e-05 -9.38290176e-05 2.09783873e-04] [-1.03042296e-05 -9.38290171e-05 -2.09783874e-04] [-1.00247924e-04 -4.03707377e-04 -9.95469378e-05] [-1.03042284e-05 9.38290174e-05 -2.09783874e-04] [-1.00247925e-04 4.03707377e-04 -9.95469380e-05] [ 1.03042290e-05 9.38290169e-05 2.09783874e-04] [ 1.00247925e-04 4.03707377e-04 9.95469385e-05] [ 1.00247925e-04 -4.03707377e-04 9.95469381e-05] [ 1.03042289e-05 -9.38290173e-05 2.09783874e-04] [-1.03042291e-05 -9.38290175e-05 -2.09783874e-04] [-1.00247925e-04 -4.03707377e-04 -9.95469378e-05] [ 4.68347583e-13 -4.89885910e-13 3.31179528e-13] [ 1.67285500e-12 1.73073462e-13 8.67949040e-13] [ 3.96976233e-04 -2.43454341e-04 -2.43382548e-04] [ 3.96976234e-04 2.43454342e-04 -2.43382547e-04] [-3.96976233e-04 -2.43454340e-04 2.43382549e-04] [-3.96976234e-04 2.43454341e-04 2.43382548e-04] [ 2.35314981e-04 -4.75175455e-14 1.88823967e-04] [-3.25480563e-04 1.90526414e-13 3.71624360e-04] [ 3.25480561e-04 1.00539368e-13 -3.71624362e-04] [-2.35314981e-04 3.13384735e-13 -1.88823966e-04] [-4.51091597e-05 -9.14981174e-05 3.97228976e-04] [ 4.51091596e-05 -9.14981165e-05 -3.97228975e-04] [-4.51091608e-05 9.14981163e-05 3.97228976e-04] [ 4.51091608e-05 9.14981156e-05 -3.97228976e-04] [ 3.96976233e-04 -2.43454341e-04 -2.43382548e-04] [ 3.96976233e-04 2.43454342e-04 -2.43382548e-04] [-3.96976232e-04 -2.43454340e-04 2.43382550e-04] [-3.96976232e-04 2.43454342e-04 2.43382549e-04] [ 2.35314982e-04 3.10230460e-13 1.88823966e-04] [-3.25480563e-04 -1.32983902e-13 3.71624358e-04] [ 3.25480561e-04 1.98888649e-13 -3.71624360e-04] [-2.35314981e-04 2.82705283e-13 -1.88823966e-04] [-4.51091588e-05 -9.14981173e-05 3.97228977e-04] [ 4.51091597e-05 -9.14981164e-05 -3.97228977e-04] [-4.51091600e-05 9.14981161e-05 3.97228976e-04] [ 4.51091608e-05 9.14981156e-05 -3.97228976e-04]] Final stress: [ 1.43447261e-05 -1.02569501e-05 -1.02527687e-05 3.60777146e-16 9.99412945e-06 2.32759449e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.16445438e-04 1.55534439e-13 1.46470720e-04] [ 4.16445438e-04 3.31262795e-13 -1.46470720e-04] [ 9.55628805e-14 1.94493438e-06 -3.68819558e-14] [ 1.54931623e-13 -1.94493475e-06 4.34929870e-14] [ 1.46820819e-04 9.71388768e-14 2.44313115e-06] [-1.46820819e-04 4.46587212e-14 -2.44313054e-06] [-4.16445438e-04 -1.66488785e-13 1.46470720e-04] [ 4.16445438e-04 -1.10717858e-13 -1.46470720e-04] [ 4.53526106e-14 1.94493545e-06 1.75245353e-13] [-8.11247770e-14 -1.94493479e-06 -3.74822365e-14] [ 1.46820819e-04 9.61553272e-14 2.44313042e-06] [-1.46820819e-04 2.69759397e-13 -2.44313016e-06] [ 4.30883974e-05 -3.44467946e-04 -1.58578932e-04] [-6.31852798e-05 -4.75207757e-05 -1.37961091e-04] [-4.30883975e-05 -3.44467946e-04 1.58578932e-04] [ 6.31852795e-05 -4.75207754e-05 1.37961091e-04] [ 6.31852797e-05 4.75207751e-05 1.37961090e-04] [-4.30883974e-05 3.44467945e-04 1.58578932e-04] [ 4.30883970e-05 3.44467945e-04 -1.58578932e-04] [-6.31852799e-05 4.75207755e-05 -1.37961091e-04] [ 4.30883974e-05 -3.44467946e-04 -1.58578932e-04] [-6.31852798e-05 -4.75207754e-05 -1.37961090e-04] [-4.30883974e-05 -3.44467946e-04 1.58578932e-04] [ 6.31852796e-05 -4.75207757e-05 1.37961090e-04] [ 6.31852797e-05 4.75207750e-05 1.37961091e-04] [-4.30883974e-05 3.44467945e-04 1.58578932e-04] [ 4.30883972e-05 3.44467945e-04 -1.58578931e-04] [-6.31852800e-05 4.75207750e-05 -1.37961091e-04] [ 3.23130411e-13 9.61120072e-13 -2.52825538e-13] [ 1.22270249e-13 -2.89838973e-13 -3.41463595e-13] [-2.83924756e-04 -2.55841601e-04 -2.55727545e-04] [-2.83924755e-04 2.55841600e-04 -2.55727547e-04] [ 2.83924756e-04 -2.55841600e-04 2.55727545e-04] [ 2.83924755e-04 2.55841600e-04 2.55727546e-04] [-2.67463769e-04 -1.88959959e-13 -5.13763542e-04] [ 3.92303556e-04 2.10467060e-13 -1.45755245e-04] [-3.92303558e-04 1.61742147e-13 1.45755243e-04] [ 2.67463770e-04 4.24098257e-13 5.13763542e-04] [ 6.24119371e-05 -1.84125917e-04 -2.84247173e-04] [-6.24119367e-05 -1.84125916e-04 2.84247172e-04] [ 6.24119371e-05 1.84125917e-04 -2.84247173e-04] [-6.24119371e-05 1.84125917e-04 2.84247172e-04] [-2.83924755e-04 -2.55841600e-04 -2.55727546e-04] [-2.83924756e-04 2.55841599e-04 -2.55727547e-04] [ 2.83924756e-04 -2.55841598e-04 2.55727548e-04] [ 2.83924756e-04 2.55841598e-04 2.55727548e-04] [-2.67463771e-04 3.38828033e-13 -5.13763540e-04] [ 3.92303556e-04 4.01408073e-13 -1.45755245e-04] [-3.92303556e-04 1.76342881e-13 1.45755245e-04] [ 2.67463770e-04 8.27282253e-13 5.13763540e-04] [ 6.24119386e-05 -1.84125918e-04 -2.84247172e-04] [-6.24119378e-05 -1.84125918e-04 2.84247173e-04] [ 6.24119386e-05 1.84125918e-04 -2.84247172e-04] [-6.24119382e-05 1.84125918e-04 2.84247172e-04]] Final stress: [ 1.37655435e-05 -9.96062054e-06 -9.95635542e-06 1.19704859e-16 -8.58701322e-06 -2.90949311e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.18673798e-04 -1.22423464e-04 -1.22172671e-13] [-4.18673799e-04 1.22423464e-04 -2.18436380e-14] [-1.22083253e-04 -1.59426790e-05 -1.66351741e-13] [ 1.22083253e-04 1.59426790e-05 7.07767178e-15] [-1.48201763e-13 3.44138780e-14 -1.64574119e-05] [ 5.15976151e-14 -1.57290847e-13 1.64574118e-05] [ 4.18673798e-04 -1.22423464e-04 1.71477866e-13] [-4.18673798e-04 1.22423464e-04 1.40028910e-13] [-1.22083254e-04 -1.59426787e-05 1.32642434e-13] [ 1.22083253e-04 1.59426789e-05 -1.69738664e-14] [-1.01784900e-13 -6.10931389e-14 -1.64574120e-05] [ 1.25646021e-14 1.36318234e-13 1.64574116e-05] [-5.59894555e-05 1.46163706e-04 3.55813035e-04] [ 5.59894558e-05 -1.46163706e-04 3.55813035e-04] [ 5.72110100e-05 1.45429413e-04 6.46527381e-05] [-5.72110100e-05 -1.45429413e-04 6.46527379e-05] [-5.59894555e-05 1.46163706e-04 -3.55813035e-04] [ 5.59894557e-05 -1.46163706e-04 -3.55813035e-04] [-5.72110102e-05 -1.45429413e-04 -6.46527385e-05] [ 5.72110102e-05 1.45429413e-04 -6.46527383e-05] [-5.59894553e-05 1.46163706e-04 3.55813034e-04] [ 5.59894555e-05 -1.46163706e-04 3.55813035e-04] [ 5.72110099e-05 1.45429413e-04 6.46527382e-05] [-5.72110102e-05 -1.45429413e-04 6.46527385e-05] [-5.59894555e-05 1.46163706e-04 -3.55813035e-04] [ 5.59894554e-05 -1.46163706e-04 -3.55813035e-04] [-5.72110100e-05 -1.45429413e-04 -6.46527384e-05] [ 5.72110100e-05 1.45429413e-04 -6.46527382e-05] [ 9.76885239e-13 2.08638662e-13 -1.34281475e-13] [ 3.78400002e-13 -1.53269288e-13 4.65615156e-13] [ 3.00926540e-04 2.48400374e-04 2.48295314e-04] [-3.00926541e-04 -2.48400374e-04 2.48295314e-04] [ 3.00926541e-04 2.48400375e-04 -2.48295313e-04] [-3.00926541e-04 -2.48400374e-04 -2.48295313e-04] [-2.96690802e-05 3.00604676e-04 1.44306358e-04] [-2.96690787e-05 3.00604677e-04 -1.44306357e-04] [ 2.96690795e-05 -3.00604676e-04 1.44306357e-04] [ 2.96690785e-05 -3.00604675e-04 -1.44306357e-04] [ 2.96785445e-04 4.70976631e-04 1.18693944e-12] [ 3.56089806e-04 -1.82120884e-04 5.90257010e-13] [-3.56089807e-04 1.82120883e-04 5.26346328e-13] [-2.96785448e-04 -4.70976629e-04 3.85282084e-14] [ 3.00926541e-04 2.48400373e-04 2.48295315e-04] [-3.00926540e-04 -2.48400374e-04 2.48295313e-04] [ 3.00926542e-04 2.48400371e-04 -2.48295315e-04] [-3.00926540e-04 -2.48400372e-04 -2.48295315e-04] [-2.96690772e-05 3.00604676e-04 1.44306355e-04] [-2.96690771e-05 3.00604676e-04 -1.44306355e-04] [ 2.96690775e-05 -3.00604676e-04 1.44306356e-04] [ 2.96690791e-05 -3.00604676e-04 -1.44306357e-04] [ 2.96785445e-04 4.70976631e-04 -1.48800324e-13] [ 3.56089808e-04 -1.82120882e-04 -2.95309628e-13] [-3.56089808e-04 1.82120882e-04 -1.39606578e-13] [-2.96785444e-04 -4.70976632e-04 -2.83510194e-13]] Final stress: [-1.41748280e-05 9.93034543e-06 9.92584335e-06 -1.91186771e-16 -4.55523263e-16 8.83682403e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.33697664e-04 1.08986012e-04 8.12089111e-14] [-4.33697664e-04 -1.08986012e-04 1.85407245e-13] [ 1.08640375e-04 1.19373066e-05 9.59805152e-14] [-1.08640375e-04 -1.19373066e-05 -1.14325216e-13] [ 8.00444780e-14 -1.44483817e-13 1.14300867e-05] [ 2.32813768e-13 6.20614671e-14 -1.14300876e-05] [ 4.33697664e-04 1.08986012e-04 -1.68056041e-13] [-4.33697664e-04 -1.08986012e-04 -2.42049982e-13] [ 1.08640375e-04 1.19373066e-05 -4.77132494e-14] [-1.08640375e-04 -1.19373063e-05 1.32736361e-13] [-2.82735207e-13 8.68320423e-14 1.14300873e-05] [-5.26844193e-14 -7.59423453e-14 -1.14300871e-05] [-6.95087618e-05 1.38316035e-04 -8.38541440e-05] [ 6.95087620e-05 -1.38316035e-04 -8.38541442e-05] [ 5.75141038e-05 1.49859060e-04 -3.71603602e-04] [-5.75141035e-05 -1.49859060e-04 -3.71603602e-04] [-6.95087617e-05 1.38316034e-04 8.38541443e-05] [ 6.95087621e-05 -1.38316034e-04 8.38541444e-05] [-5.75141033e-05 -1.49859060e-04 3.71603603e-04] [ 5.75141037e-05 1.49859060e-04 3.71603603e-04] [-6.95087622e-05 1.38316034e-04 -8.38541441e-05] [ 6.95087619e-05 -1.38316034e-04 -8.38541443e-05] [ 5.75141034e-05 1.49859061e-04 -3.71603602e-04] [-5.75141036e-05 -1.49859060e-04 -3.71603603e-04] [-6.95087621e-05 1.38316035e-04 8.38541441e-05] [ 6.95087617e-05 -1.38316035e-04 8.38541441e-05] [-5.75141037e-05 -1.49859060e-04 3.71603602e-04] [ 5.75141037e-05 1.49859060e-04 3.71603602e-04] [ 9.91429161e-14 -1.05276898e-13 1.01110786e-12] [-4.26974428e-13 -2.42643604e-13 -3.46768777e-13] [-2.79017887e-04 2.41719059e-04 2.41618108e-04] [ 2.79017887e-04 -2.41719058e-04 2.41618109e-04] [-2.79017887e-04 2.41719058e-04 -2.41618108e-04] [ 2.79017887e-04 -2.41719057e-04 -2.41618109e-04] [ 1.30186313e-05 -2.78689175e-04 9.11117676e-05] [ 1.30186299e-05 -2.78689175e-04 -9.11117689e-05] [-1.30186314e-05 2.78689175e-04 9.11117673e-05] [-1.30186297e-05 2.78689175e-04 -9.11117685e-05] [-3.24198976e-04 -2.46061437e-04 -2.36366482e-13] [-3.50280326e-04 4.28529937e-04 -8.38981662e-13] [ 3.50280326e-04 -4.28529937e-04 2.41404119e-13] [ 3.24198975e-04 2.46061438e-04 -9.34466046e-13] [-2.79017887e-04 2.41719059e-04 2.41618107e-04] [ 2.79017887e-04 -2.41719059e-04 2.41618107e-04] [-2.79017887e-04 2.41719060e-04 -2.41618107e-04] [ 2.79017887e-04 -2.41719061e-04 -2.41618106e-04] [ 1.30186282e-05 -2.78689175e-04 9.11117702e-05] [ 1.30186297e-05 -2.78689175e-04 -9.11117686e-05] [-1.30186292e-05 2.78689174e-04 9.11117694e-05] [-1.30186285e-05 2.78689174e-04 -9.11117700e-05] [-3.24198974e-04 -2.46061439e-04 5.36236181e-13] [-3.50280328e-04 4.28529935e-04 6.31121806e-13] [ 3.50280328e-04 -4.28529935e-04 4.63891224e-13] [ 3.24198974e-04 2.46061438e-04 5.05859243e-13]] Final stress: [-1.42054139e-05 1.01398060e-05 1.01351008e-05 -1.08062088e-16 -4.60510744e-16 -8.96358192e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.13446003e-04 -7.84716062e-05 9.27652052e-14] [ 4.13446003e-04 7.84716062e-05 -6.42264020e-14] [-7.87440514e-05 4.96648413e-05 -1.78248909e-13] [ 7.87440511e-05 -4.96648411e-05 -1.50601753e-13] [ 6.79794762e-15 5.18769055e-14 4.91270065e-05] [-3.38895578e-14 8.59590177e-14 -4.91270066e-05] [-4.13446003e-04 -7.84716063e-05 -8.26362724e-14] [ 4.13446003e-04 7.84716064e-05 -1.35977566e-13] [-7.87440511e-05 4.96648421e-05 8.89295515e-14] [ 7.87440511e-05 -4.96648412e-05 1.77392822e-13] [-1.61659314e-13 1.02197524e-13 4.91270065e-05] [ 4.36799034e-14 1.25095064e-13 -4.91270069e-05] [ 2.34119939e-05 -1.76789988e-04 7.16341709e-05] [-2.34119934e-05 1.76789988e-04 7.16341710e-05] [-7.36535896e-05 -1.26963175e-04 3.75870076e-04] [ 7.36535893e-05 1.26963175e-04 3.75870076e-04] [ 2.34119940e-05 -1.76789988e-04 -7.16341708e-05] [-2.34119937e-05 1.76789988e-04 -7.16341710e-05] [ 7.36535891e-05 1.26963175e-04 -3.75870076e-04] [-7.36535894e-05 -1.26963175e-04 -3.75870076e-04] [ 2.34119940e-05 -1.76789988e-04 7.16341711e-05] [-2.34119935e-05 1.76789988e-04 7.16341712e-05] [-7.36535893e-05 -1.26963175e-04 3.75870076e-04] [ 7.36535896e-05 1.26963175e-04 3.75870076e-04] [ 2.34119938e-05 -1.76789988e-04 -7.16341709e-05] [-2.34119935e-05 1.76789988e-04 -7.16341710e-05] [ 7.36535898e-05 1.26963175e-04 -3.75870076e-04] [-7.36535895e-05 -1.26963175e-04 -3.75870076e-04] [-2.35589326e-13 2.55656607e-13 -1.19348975e-14] [ 5.21175117e-13 -7.26955209e-13 -4.49572442e-14] [ 3.45504560e-04 -2.49577970e-04 -2.49669204e-04] [-3.45504561e-04 2.49577971e-04 -2.49669203e-04] [ 3.45504561e-04 -2.49577969e-04 2.49669205e-04] [-3.45504560e-04 2.49577970e-04 2.49669204e-04] [ 6.44611345e-06 3.45789837e-04 -1.36670890e-04] [ 6.44611443e-06 3.45789836e-04 1.36670891e-04] [-6.44611404e-06 -3.45789837e-04 -1.36670890e-04] [-6.44611410e-06 -3.45789837e-04 1.36670890e-04] [ 3.09716828e-04 1.66537347e-04 3.74034137e-13] [ 2.96789856e-04 -4.39662429e-04 2.74110595e-13] [-2.96789856e-04 4.39662430e-04 1.25361700e-12] [-3.09716828e-04 -1.66537347e-04 2.28672983e-13] [ 3.45504560e-04 -2.49577971e-04 -2.49669203e-04] [-3.45504560e-04 2.49577972e-04 -2.49669202e-04] [ 3.45504560e-04 -2.49577972e-04 2.49669202e-04] [-3.45504560e-04 2.49577972e-04 2.49669202e-04] [ 6.44611692e-06 3.45789837e-04 -1.36670892e-04] [ 6.44611614e-06 3.45789837e-04 1.36670892e-04] [-6.44611765e-06 -3.45789838e-04 -1.36670893e-04] [-6.44611518e-06 -3.45789837e-04 1.36670892e-04] [ 3.09716827e-04 1.66537348e-04 -1.98734511e-13] [ 2.96789857e-04 -4.39662427e-04 -1.37311708e-13] [-2.96789858e-04 4.39662427e-04 -3.79051560e-13] [-3.09716826e-04 -1.66537349e-04 -5.04507026e-13]] Final stress: [ 1.40877571e-05 -1.01084706e-05 -1.01126227e-05 -5.32021598e-17 -1.09729455e-16 9.33429598e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.20947952e-04 1.34287417e-04 1.82755287e-13] [ 4.20947952e-04 -1.34287417e-04 2.73753242e-13] [ 1.34629464e-04 -1.86671841e-07 6.20827174e-14] [-1.34629465e-04 1.86671067e-07 -2.33146835e-15] [-2.49401194e-14 -8.56693189e-15 -6.87459944e-07] [-1.54432023e-13 -7.50233209e-14 6.87459349e-07] [-4.20947952e-04 1.34287417e-04 -8.80803262e-14] [ 4.20947952e-04 -1.34287417e-04 -1.06824410e-13] [ 1.34629464e-04 -1.86671052e-07 -9.36594447e-14] [-1.34629464e-04 1.86671519e-07 1.13917025e-13] [-1.90589731e-14 1.21211346e-13 -6.87459557e-07] [-1.13012898e-14 1.47903907e-13 6.87459802e-07] [ 4.73336263e-05 -1.55753216e-04 -3.52900827e-04] [-4.73336264e-05 1.55753216e-04 -3.52900827e-04] [-6.19075112e-05 -1.40681290e-04 -5.60520716e-05] [ 6.19075108e-05 1.40681290e-04 -5.60520713e-05] [ 4.73336264e-05 -1.55753216e-04 3.52900827e-04] [-4.73336262e-05 1.55753216e-04 3.52900827e-04] [ 6.19075112e-05 1.40681289e-04 5.60520715e-05] [-6.19075111e-05 -1.40681290e-04 5.60520717e-05] [ 4.73336266e-05 -1.55753216e-04 -3.52900827e-04] [-4.73336263e-05 1.55753216e-04 -3.52900827e-04] [-6.19075109e-05 -1.40681289e-04 -5.60520717e-05] [ 6.19075114e-05 1.40681289e-04 -5.60520718e-05] [ 4.73336263e-05 -1.55753216e-04 3.52900827e-04] [-4.73336265e-05 1.55753216e-04 3.52900827e-04] [ 6.19075112e-05 1.40681290e-04 5.60520715e-05] [-6.19075107e-05 -1.40681290e-04 5.60520711e-05] [-1.77524662e-13 7.88785703e-13 8.67556027e-13] [ 2.88386068e-13 -1.45620271e-14 -3.27481990e-14] [-2.85224574e-04 -2.52918679e-04 -2.53028650e-04] [ 2.85224574e-04 2.52918680e-04 -2.53028650e-04] [-2.85224575e-04 -2.52918682e-04 2.53028649e-04] [ 2.85224574e-04 2.52918681e-04 2.53028650e-04] [ 4.27585577e-05 -2.85544638e-04 -1.62308268e-04] [ 4.27585570e-05 -2.85544638e-04 1.62308267e-04] [-4.27585583e-05 2.85544638e-04 -1.62308269e-04] [-4.27585579e-05 2.85544638e-04 1.62308268e-04] [-2.86991481e-04 -4.91836772e-04 -1.93511873e-13] [-3.72529658e-04 1.67460758e-04 -3.27128949e-13] [ 3.72529657e-04 -1.67460758e-04 -4.99232600e-13] [ 2.86991482e-04 4.91836771e-04 -3.60374924e-13] [-2.85224574e-04 -2.52918681e-04 -2.53028649e-04] [ 2.85224574e-04 2.52918682e-04 -2.53028649e-04] [-2.85224574e-04 -2.52918680e-04 2.53028650e-04] [ 2.85224574e-04 2.52918681e-04 2.53028649e-04] [ 4.27585577e-05 -2.85544638e-04 -1.62308268e-04] [ 4.27585587e-05 -2.85544638e-04 1.62308269e-04] [-4.27585577e-05 2.85544639e-04 -1.62308268e-04] [-4.27585590e-05 2.85544638e-04 1.62308269e-04] [-2.86991481e-04 -4.91836771e-04 3.75683535e-13] [-3.72529657e-04 1.67460759e-04 3.01541493e-13] [ 3.72529657e-04 -1.67460758e-04 6.77582495e-13] [ 2.86991482e-04 4.91836770e-04 9.66414015e-13]] Final stress: [ 1.38158537e-05 -1.00390166e-05 -1.00433175e-05 4.48893223e-17 5.81898622e-17 -8.71502114e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 4.67478363e-03 2.10117947e-13 -1.65822651e-13] [-4.67478363e-03 -3.82471832e-13 -3.40116824e-13] [-1.27929351e-13 8.95554082e-03 -4.96044178e-15] [-2.43000065e-13 -8.95554082e-03 -2.48412402e-14] [ 5.97829078e-14 -4.89619630e-13 4.67478362e-03] [ 2.54407606e-13 -4.30516733e-13 -4.67478363e-03] [ 4.67478363e-03 -6.80037190e-13 2.76273319e-15] [-4.67478363e-03 -2.37175297e-13 1.27227354e-13] [ 3.26055155e-13 8.95554082e-03 2.95412091e-13] [ 3.08557433e-13 -8.95554082e-03 1.98576892e-13] [ 1.42300668e-13 9.96022821e-14 4.67478363e-03] [-2.02782669e-13 -3.41531449e-13 -4.67478363e-03] [ 2.89016112e-03 -8.00802813e-04 2.89016112e-03] [-2.89016112e-03 8.00802813e-04 2.89016112e-03] [-2.89016112e-03 -8.00802813e-04 -2.89016112e-03] [ 2.89016112e-03 8.00802813e-04 -2.89016112e-03] [ 2.89016112e-03 -8.00802813e-04 -2.89016112e-03] [-2.89016112e-03 8.00802813e-04 -2.89016112e-03] [ 2.89016112e-03 8.00802814e-04 2.89016112e-03] [-2.89016112e-03 -8.00802812e-04 2.89016112e-03] [ 2.89016112e-03 -8.00802813e-04 2.89016112e-03] [-2.89016112e-03 8.00802811e-04 2.89016112e-03] [-2.89016111e-03 -8.00802812e-04 -2.89016111e-03] [ 2.89016112e-03 8.00802812e-04 -2.89016112e-03] [ 2.89016112e-03 -8.00802812e-04 -2.89016112e-03] [-2.89016111e-03 8.00802812e-04 -2.89016111e-03] [ 2.89016112e-03 8.00802812e-04 2.89016112e-03] [-2.89016112e-03 -8.00802812e-04 2.89016112e-03] [-3.73784337e-13 -8.03079825e-13 -7.34495798e-13] [-1.86019602e-13 -1.71698371e-13 -2.78137510e-13] [-7.48845430e-13 5.50465348e-03 6.54795946e-04] [-7.78353076e-13 -5.50465348e-03 6.54795946e-04] [-4.21714746e-13 5.50465348e-03 -6.54795946e-04] [-1.64474337e-13 -5.50465348e-03 -6.54795946e-04] [ 6.71750954e-03 4.26658708e-13 6.71750954e-03] [ 6.71750954e-03 2.69907360e-13 -6.71750954e-03] [-6.71750954e-03 -2.64328490e-13 6.71750954e-03] [-6.71750954e-03 -3.88829594e-13 -6.71750954e-03] [ 6.54795943e-04 5.50465348e-03 -8.82849349e-13] [-6.54795944e-04 5.50465348e-03 -3.13570350e-13] [ 6.54795944e-04 -5.50465348e-03 -3.12975340e-13] [-6.54795944e-04 -5.50465348e-03 -2.25239966e-13] [-1.38644304e-13 5.50465348e-03 6.54795945e-04] [-4.39327394e-14 -5.50465348e-03 6.54795944e-04] [-3.07827114e-13 5.50465348e-03 -6.54795944e-04] [ 1.28219917e-13 -5.50465348e-03 -6.54795944e-04] [ 6.71750954e-03 5.75819287e-13 6.71750954e-03] [ 6.71750954e-03 4.74115538e-13 -6.71750954e-03] [-6.71750954e-03 3.23696799e-13 6.71750954e-03] [-6.71750954e-03 3.96903864e-13 -6.71750954e-03] [ 6.54795947e-04 5.50465348e-03 2.67976037e-13] [-6.54795947e-04 5.50465348e-03 3.43504020e-13] [ 6.54795947e-04 -5.50465348e-03 3.78540552e-13] [-6.54795947e-04 -5.50465348e-03 3.33932101e-13]] Final stress: [ 2.51078934e-05 -3.76493348e-04 2.51078934e-05 -1.97832353e-16 -7.76367301e-16 -1.14709516e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.71954835e-03 -8.19039281e-13 1.07416723e-12] [ 8.71954835e-03 -1.36488043e-12 -2.19074758e-13] [ 2.67065883e-13 -1.05929476e-02 1.75685855e-13] [ 6.54559740e-13 1.05929476e-02 5.48450174e-13] [ 9.97473371e-13 -1.96509302e-12 -8.71954835e-03] [ 5.09065012e-13 -7.72021336e-13 8.71954835e-03] [-8.71954835e-03 1.65699485e-13 -1.54075359e-12] [ 8.71954835e-03 -1.23668090e-12 -1.04364787e-12] [-2.03556182e-12 -1.05929476e-02 -6.59361853e-13] [-4.79489712e-13 1.05929476e-02 -3.49156246e-13] [-3.83914688e-13 6.56068571e-13 -8.71954835e-03] [-1.22673443e-12 6.57602630e-13 8.71954835e-03] [-3.18825132e-03 2.54488478e-03 -3.18825132e-03] [ 3.18825132e-03 -2.54488478e-03 -3.18825132e-03] [ 3.18825132e-03 2.54488478e-03 3.18825132e-03] [-3.18825132e-03 -2.54488478e-03 3.18825132e-03] [-3.18825132e-03 2.54488478e-03 3.18825132e-03] [ 3.18825132e-03 -2.54488478e-03 3.18825132e-03] [-3.18825132e-03 -2.54488478e-03 -3.18825132e-03] [ 3.18825132e-03 2.54488478e-03 -3.18825132e-03] [-3.18825132e-03 2.54488479e-03 -3.18825132e-03] [ 3.18825132e-03 -2.54488478e-03 -3.18825132e-03] [ 3.18825132e-03 2.54488479e-03 3.18825132e-03] [-3.18825132e-03 -2.54488478e-03 3.18825132e-03] [-3.18825132e-03 2.54488479e-03 3.18825132e-03] [ 3.18825132e-03 -2.54488478e-03 3.18825132e-03] [-3.18825132e-03 -2.54488478e-03 -3.18825132e-03] [ 3.18825132e-03 2.54488478e-03 -3.18825132e-03] [-3.40691364e-12 -1.31630817e-12 -9.18154441e-13] [-4.77687768e-13 1.19422160e-12 3.98244198e-13] [ 2.99760217e-15 -2.47031715e-03 -1.89860674e-04] [ 2.36712559e-12 2.47031715e-03 -1.89860679e-04] [-6.57045598e-13 -2.47031715e-03 1.89860679e-04] [ 2.94182560e-12 2.47031715e-03 1.89860679e-04] [-7.51601537e-03 2.01072492e-12 -7.51601536e-03] [-7.51601537e-03 3.26454141e-13 7.51601537e-03] [ 7.51601537e-03 -4.02683095e-12 -7.51601537e-03] [ 7.51601537e-03 -2.70274775e-12 7.51601537e-03] [-1.89860673e-04 -2.47031716e-03 1.20170540e-12] [ 1.89860679e-04 -2.47031715e-03 1.32585783e-12] [-1.89860677e-04 2.47031715e-03 6.31581593e-13] [ 1.89860680e-04 2.47031715e-03 2.67909132e-12] [-2.30605812e-12 -2.47031715e-03 -1.89860678e-04] [-3.81612493e-12 2.47031715e-03 -1.89860678e-04] [ 1.43391852e-12 -2.47031715e-03 1.89860672e-04] [-2.88643068e-12 2.47031715e-03 1.89860672e-04] [-7.51601537e-03 -5.87858886e-13 -7.51601537e-03] [-7.51601537e-03 2.20959297e-12 7.51601537e-03] [ 7.51601537e-03 3.27196516e-12 -7.51601537e-03] [ 7.51601537e-03 4.22380967e-12 7.51601537e-03] [-1.89860679e-04 -2.47031715e-03 -1.00464550e-13] [ 1.89860673e-04 -2.47031715e-03 -9.67090503e-13] [-1.89860675e-04 2.47031715e-03 -2.65065719e-12] [ 1.89860680e-04 2.47031715e-03 -3.40640363e-12]] Final stress: [-3.86887665e-05 3.77019890e-04 -3.86887665e-05 -2.67346789e-15 2.98603752e-15 5.81911543e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.95458223e-04 -5.67848719e-14 1.28970619e-13] [ 1.95458223e-04 -1.89959160e-13 7.42461648e-14] [ 2.61636199e-13 4.23632621e-04 1.25966078e-13] [ 7.23310301e-13 -4.23632621e-04 4.81170659e-13] [ 8.59061086e-14 5.72050220e-13 4.23632620e-04] [ 8.14626144e-14 3.92491595e-13 -4.23632620e-04] [-1.95458223e-04 6.89826668e-13 1.67898930e-14] [ 1.95458224e-04 2.04192999e-13 1.04703878e-14] [-2.26900530e-13 4.23632621e-04 -6.89555407e-14] [-2.57020533e-13 -4.23632620e-04 -2.41156289e-13] [-3.66963404e-14 2.07733161e-13 4.23632620e-04] [-1.28107594e-13 1.64828931e-13 -4.23632620e-04] [ 2.86810760e-04 7.11213569e-05 7.11213569e-05] [-2.86810759e-04 -7.11213567e-05 7.11213569e-05] [-2.86810759e-04 7.11213567e-05 -7.11213561e-05] [ 2.86810759e-04 -7.11213570e-05 -7.11213566e-05] [ 2.86810759e-04 7.11213569e-05 -7.11213574e-05] [-2.86810758e-04 -7.11213572e-05 -7.11213566e-05] [ 2.86810759e-04 -7.11213576e-05 7.11213571e-05] [-2.86810759e-04 7.11213563e-05 7.11213565e-05] [ 2.86810758e-04 7.11213572e-05 7.11213559e-05] [-2.86810760e-04 -7.11213568e-05 7.11213565e-05] [-2.86810760e-04 7.11213565e-05 -7.11213576e-05] [ 2.86810759e-04 -7.11213569e-05 -7.11213566e-05] [ 2.86810759e-04 7.11213566e-05 -7.11213567e-05] [-2.86810760e-04 -7.11213572e-05 -7.11213571e-05] [ 2.86810759e-04 -7.11213565e-05 7.11213559e-05] [-2.86810759e-04 7.11213564e-05 7.11213569e-05] [ 1.22779564e-12 4.89719376e-13 4.48557858e-13] [-9.54947059e-13 -2.35980377e-13 -3.16813133e-13] [-1.24456001e-12 -4.37508225e-05 -4.37508259e-05] [-1.06058218e-12 4.37508248e-05 -4.37508218e-05] [-1.36050372e-12 -4.37508224e-05 4.37508257e-05] [-1.67596839e-13 4.37508244e-05 4.37508230e-05] [ 1.64363116e-04 2.48912002e-13 3.21631035e-05] [ 1.64363112e-04 4.04305062e-13 -3.21631061e-05] [-1.64363118e-04 -5.89134644e-13 3.21630996e-05] [-1.64363115e-04 -1.79696535e-13 -3.21631021e-05] [ 1.64363113e-04 3.21631058e-05 1.83297821e-13] [-1.64363114e-04 3.21631044e-05 -9.56070292e-13] [ 1.64363111e-04 -3.21631073e-05 -6.33122027e-14] [-1.64363113e-04 -3.21631041e-05 -1.84383758e-13] [ 1.48066455e-12 -4.37508228e-05 -4.37508251e-05] [ 1.22751462e-12 4.37508247e-05 -4.37508241e-05] [ 2.06405379e-12 -4.37508206e-05 4.37508276e-05] [ 4.27889928e-13 4.37508213e-05 4.37508269e-05] [ 1.64363115e-04 -4.47337800e-13 3.21631032e-05] [ 1.64363115e-04 -3.81387847e-13 -3.21631031e-05] [-1.64363113e-04 -3.01108964e-14 3.21631048e-05] [-1.64363113e-04 -9.52652453e-13 -3.21631065e-05] [ 1.64363116e-04 3.21631018e-05 6.46253750e-13] [-1.64363114e-04 3.21631040e-05 4.57693907e-13] [ 1.64363115e-04 -3.21631033e-05 1.15356195e-12] [-1.64363112e-04 -3.21631071e-05 6.21609968e-13]] Final stress: [ 2.55696260e-05 5.04083608e-08 5.04083663e-08 -7.48105536e-17 4.95412110e-16 1.14709516e-16] Minimization converged after 39 steps. Minimization converged after 38 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.10821073e-04 -5.87954165e-14 2.41974409e-13] [-4.10821075e-04 6.87505608e-14 -7.53286322e-14] [ 2.97556250e-13 -3.45271020e-04 2.94545638e-13] [ 6.58306742e-13 3.45271022e-04 5.88390447e-13] [ 2.20119062e-13 2.21781794e-13 -3.45271021e-04] [ 2.47579734e-13 -2.79054557e-13 3.45271022e-04] [ 4.10821074e-04 5.09844771e-13 1.70003430e-13] [-4.10821074e-04 1.49903527e-13 -9.32763875e-14] [ 1.57195437e-13 -3.45271021e-04 -2.76758736e-14] [-2.77518893e-13 3.45271022e-04 -2.97576844e-13] [-2.54470923e-13 7.14182491e-14 -3.45271020e-04] [-3.56757159e-13 3.51872254e-13 3.45271021e-04] [-2.99853160e-04 -8.20246946e-05 -8.20246948e-05] [ 2.99853161e-04 8.20246951e-05 -8.20246948e-05] [ 2.99853162e-04 -8.20246955e-05 8.20246956e-05] [-2.99853160e-04 8.20246946e-05 8.20246950e-05] [-2.99853161e-04 -8.20246948e-05 8.20246953e-05] [ 2.99853161e-04 8.20246954e-05 8.20246950e-05] [-2.99853161e-04 8.20246944e-05 -8.20246947e-05] [ 2.99853161e-04 -8.20246950e-05 -8.20246952e-05] [-2.99853162e-04 -8.20246941e-05 -8.20246955e-05] [ 2.99853161e-04 8.20246950e-05 -8.20246950e-05] [ 2.99853160e-04 -8.20246948e-05 8.20246939e-05] [-2.99853162e-04 8.20246952e-05 8.20246956e-05] [-2.99853161e-04 -8.20246956e-05 8.20246952e-05] [ 2.99853160e-04 8.20246948e-05 8.20246946e-05] [-2.99853162e-04 8.20246956e-05 -8.20246958e-05] [ 2.99853160e-04 -8.20246934e-05 -8.20246942e-05] [ 3.08617021e-12 -2.00714445e-12 9.47852907e-14] [-4.38614856e-13 6.94914841e-13 -8.96966207e-13] [-1.63191682e-12 8.48679512e-05 8.48679529e-05] [-3.00637987e-13 -8.48679537e-05 8.48679520e-05] [-1.09311865e-12 8.48679523e-05 -8.48679529e-05] [ 1.05986400e-13 -8.48679524e-05 -8.48679532e-05] [ 2.83741328e-05 -1.00086606e-12 -8.42242420e-05] [ 2.83741318e-05 -9.97221403e-13 8.42242419e-05] [-2.83741348e-05 -1.56798706e-12 -8.42242457e-05] [-2.83741335e-05 -1.15884559e-12 8.42242452e-05] [ 2.83741341e-05 -8.42242448e-05 -4.82169860e-13] [-2.83741356e-05 -8.42242471e-05 -6.14525791e-14] [ 2.83741322e-05 8.42242425e-05 -4.36118155e-13] [-2.83741334e-05 8.42242446e-05 -5.08187242e-14] [ 8.05275551e-13 8.48679530e-05 8.48679520e-05] [ 1.12387486e-12 -8.48679502e-05 8.48679553e-05] [ 1.79057940e-12 8.48679536e-05 -8.48679515e-05] [ 1.54720811e-12 -8.48679516e-05 -8.48679547e-05] [ 2.83741338e-05 2.10076268e-13 -8.42242448e-05] [ 2.83741346e-05 4.80819161e-13 8.42242446e-05] [-2.83741326e-05 -3.26653201e-13 -8.42242433e-05] [-2.83741329e-05 6.34548837e-13 8.42242430e-05] [ 2.83741331e-05 -8.42242444e-05 3.48915288e-13] [-2.83741321e-05 -8.42242424e-05 8.16995458e-13] [ 2.83741358e-05 8.42242467e-05 -1.49314114e-13] [-2.83741325e-05 8.42242426e-05 8.44810333e-16]] Final stress: [-2.81861879e-05 -1.42898734e-06 -1.42898734e-06 -2.49390661e-17 4.72179652e-16 2.77654936e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.69439173e-05 4.49653335e-14 -8.49056069e-14] [-1.69439176e-05 1.44328993e-14 -1.38666856e-13] [ 1.16175732e-13 4.43090547e-04 -8.19747677e-05] [ 2.22238894e-13 -4.43090547e-04 8.19747675e-05] [ 9.78904457e-15 -8.16457397e-05 1.74570601e-05] [-1.96787031e-14 8.16457396e-05 -1.74570607e-05] [ 1.69439173e-05 -6.82800171e-14 1.49170910e-13] [-1.69439176e-05 -4.05391866e-14 2.05382276e-13] [-8.33074928e-14 4.43090547e-04 -8.19747673e-05] [-2.12636332e-13 -4.43090547e-04 8.19747674e-05] [ 6.15072229e-14 -8.16457398e-05 1.74570607e-05] [ 6.93134786e-14 8.16457398e-05 -1.74570600e-05] [ 3.90126485e-04 -6.68360300e-05 1.43650346e-04] [ 1.02691650e-04 6.66597181e-05 1.44226622e-04] [ 1.02691650e-04 -6.66597180e-05 -1.44226622e-04] [ 3.90126485e-04 6.68360303e-05 -1.43650347e-04] [-1.02691650e-04 -6.66597183e-05 -1.44226622e-04] [-3.90126485e-04 6.68360302e-05 -1.43650346e-04] [-1.02691650e-04 6.66597183e-05 1.44226622e-04] [-3.90126485e-04 -6.68360297e-05 1.43650346e-04] [ 3.90126485e-04 -6.68360297e-05 1.43650346e-04] [ 1.02691649e-04 6.66597183e-05 1.44226622e-04] [ 1.02691650e-04 -6.66597184e-05 -1.44226622e-04] [ 3.90126485e-04 6.68360300e-05 -1.43650346e-04] [-1.02691650e-04 -6.66597183e-05 -1.44226622e-04] [-3.90126485e-04 6.68360298e-05 -1.43650346e-04] [-1.02691650e-04 6.66597183e-05 1.44226622e-04] [-3.90126485e-04 -6.68360299e-05 1.43650346e-04] [ 2.99676950e-13 1.00364161e-13 -2.65482081e-13] [ 3.05922388e-13 -1.29926188e-13 -3.67657495e-13] [ 4.45976589e-13 3.93494480e-04 3.80250858e-04] [ 1.22016980e-13 2.80372739e-04 -2.93670603e-04] [ 4.18446527e-13 -2.80372741e-04 2.93670601e-04] [-2.06558728e-13 -3.93494478e-04 -3.80250860e-04] [ 2.35602497e-04 2.81654889e-04 2.35694086e-04] [ 2.35602496e-04 -2.81654890e-04 -2.35694087e-04] [-2.35602497e-04 2.81654889e-04 2.35694085e-04] [-2.35602496e-04 -2.81654889e-04 -2.35694087e-04] [ 4.31709411e-05 5.65326838e-05 2.81331757e-04] [-4.31709421e-05 5.65326825e-05 2.81331757e-04] [ 4.31709416e-05 -5.65326836e-05 -2.81331758e-04] [-4.31709411e-05 -5.65326837e-05 -2.81331758e-04] [-1.50753542e-13 3.93494477e-04 3.80250861e-04] [ 6.72537113e-13 2.80372741e-04 -2.93670600e-04] [-2.55698240e-15 -2.80372740e-04 2.93670602e-04] [ 5.57690179e-13 -3.93494478e-04 -3.80250860e-04] [ 2.35602497e-04 2.81654890e-04 2.35694086e-04] [ 2.35602498e-04 -2.81654889e-04 -2.35694084e-04] [-2.35602497e-04 2.81654889e-04 2.35694086e-04] [-2.35602498e-04 -2.81654890e-04 -2.35694084e-04] [ 4.31709405e-05 5.65326845e-05 2.81331758e-04] [-4.31709398e-05 5.65326848e-05 2.81331758e-04] [ 4.31709401e-05 -5.65326850e-05 -2.81331757e-04] [-4.31709405e-05 -5.65326842e-05 -2.81331756e-04]] Final stress: [ 1.03118139e-05 -1.43144540e-05 1.03166147e-05 9.24670215e-06 -8.31246831e-18 -1.39649468e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 9.35037679e-06 -1.57122579e-15 -1.00788301e-13] [-9.35037703e-06 3.26960681e-14 -1.15518706e-13] [ 4.63149484e-14 4.30143177e-04 1.19198066e-04] [ 9.47020240e-14 -4.30143177e-04 -1.19198066e-04] [-7.40484063e-14 1.18846085e-04 9.85538437e-06] [-5.72597525e-14 -1.18846085e-04 -9.85538485e-06] [ 9.35037732e-06 4.08301865e-14 7.96116476e-14] [-9.35037714e-06 5.24315834e-14 8.14287606e-14] [-3.37360348e-14 4.30143178e-04 1.19198066e-04] [-2.51829807e-14 -4.30143177e-04 -1.19198066e-04] [ 3.11291791e-14 1.18846085e-04 9.85538415e-06] [ 5.20850724e-14 -1.18846085e-04 -9.85538447e-06] [-7.67317599e-05 -7.05932039e-05 1.36071609e-04] [-3.64589572e-04 5.39880495e-05 1.52205714e-04] [-3.64589572e-04 -5.39880493e-05 -1.52205715e-04] [-7.67317597e-05 7.05932035e-05 -1.36071609e-04] [ 3.64589571e-04 -5.39880493e-05 -1.52205715e-04] [ 7.67317600e-05 7.05932034e-05 -1.36071609e-04] [ 3.64589571e-04 5.39880495e-05 1.52205714e-04] [ 7.67317600e-05 -7.05932037e-05 1.36071609e-04] [-7.67317602e-05 -7.05932035e-05 1.36071609e-04] [-3.64589571e-04 5.39880495e-05 1.52205715e-04] [-3.64589571e-04 -5.39880493e-05 -1.52205715e-04] [-7.67317601e-05 7.05932036e-05 -1.36071609e-04] [ 3.64589572e-04 -5.39880492e-05 -1.52205715e-04] [ 7.67317602e-05 7.05932035e-05 -1.36071609e-04] [ 3.64589572e-04 5.39880495e-05 1.52205715e-04] [ 7.67317601e-05 -7.05932035e-05 1.36071609e-04] [-1.02834408e-13 1.88404847e-13 3.74783538e-13] [ 4.55985076e-14 -1.41277260e-13 3.36483124e-13] [-1.50657264e-13 -3.40636966e-04 -2.28177937e-04] [-1.89084859e-13 -3.34056968e-04 4.46649446e-04] [-4.58662622e-13 3.34056967e-04 -4.46649447e-04] [-3.65292865e-13 3.40636966e-04 2.28177937e-04] [ 2.43874577e-04 -2.78001675e-04 2.43979013e-04] [ 2.43874579e-04 2.78001675e-04 -2.43979012e-04] [-2.43874578e-04 -2.78001675e-04 2.43979012e-04] [-2.43874579e-04 2.78001675e-04 -2.43979011e-04] [ 1.09112059e-04 -3.30975850e-06 -2.77670853e-04] [-1.09112059e-04 -3.30975819e-06 -2.77670852e-04] [ 1.09112059e-04 3.30975797e-06 2.77670853e-04] [-1.09112059e-04 3.30975823e-06 2.77670853e-04] [ 5.20373675e-15 -3.40636967e-04 -2.28177936e-04] [ 3.42286963e-14 -3.34056967e-04 4.46649447e-04] [ 4.66051243e-13 3.34056966e-04 -4.46649448e-04] [ 9.10335175e-14 3.40636968e-04 2.28177935e-04] [ 2.43874580e-04 -2.78001675e-04 2.43979011e-04] [ 2.43874580e-04 2.78001675e-04 -2.43979011e-04] [-2.43874579e-04 -2.78001674e-04 2.43979011e-04] [-2.43874580e-04 2.78001675e-04 -2.43979011e-04] [ 1.09112058e-04 -3.30975718e-06 -2.77670853e-04] [-1.09112057e-04 -3.30975641e-06 -2.77670853e-04] [ 1.09112058e-04 3.30975769e-06 2.77670853e-04] [-1.09112058e-04 3.30975712e-06 2.77670853e-04]] Final stress: [ 1.00684327e-05 -1.41639054e-05 1.00731042e-05 -8.85655766e-06 1.03074607e-16 -2.51036543e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.73836576e-05 1.26860328e-14 4.64784461e-14] [-5.73836581e-05 6.00630656e-14 7.96029909e-14] [ 1.15429367e-13 -3.97337460e-04 -1.24982040e-04] [ 1.88959959e-13 3.97337461e-04 1.24982041e-04] [ 1.35417285e-13 -1.25287564e-04 5.79107496e-05] [ 2.39336329e-13 1.25287564e-04 -5.79107499e-05] [ 5.73836575e-05 1.68516243e-13 -1.64635928e-14] [-5.73836577e-05 -7.34698760e-14 2.38529420e-15] [-1.89409686e-13 -3.97337461e-04 -1.24982041e-04] [-2.79455278e-14 3.97337460e-04 1.24982040e-04] [-6.18281468e-14 -1.25287564e-04 5.79107495e-05] [-1.32202409e-13 1.25287564e-04 -5.79107495e-05] [ 3.98245058e-05 2.92705323e-05 -1.65795827e-04] [ 3.44347066e-04 -5.72977464e-05 -1.38272053e-04] [ 3.44347067e-04 5.72977465e-05 1.38272054e-04] [ 3.98245061e-05 -2.92705327e-05 1.65795827e-04] [-3.44347067e-04 5.72977464e-05 1.38272053e-04] [-3.98245060e-05 -2.92705326e-05 1.65795827e-04] [-3.44347066e-04 -5.72977466e-05 -1.38272053e-04] [-3.98245059e-05 2.92705322e-05 -1.65795827e-04] [ 3.98245058e-05 2.92705322e-05 -1.65795827e-04] [ 3.44347067e-04 -5.72977464e-05 -1.38272053e-04] [ 3.44347066e-04 5.72977465e-05 1.38272053e-04] [ 3.98245058e-05 -2.92705324e-05 1.65795827e-04] [-3.44347067e-04 5.72977461e-05 1.38272053e-04] [-3.98245064e-05 -2.92705323e-05 1.65795827e-04] [-3.44347067e-04 -5.72977460e-05 -1.38272053e-04] [-3.98245061e-05 2.92705326e-05 -1.65795827e-04] [ 1.04213860e-12 -4.24965618e-13 3.96516153e-13] [ 3.83026510e-13 1.08052851e-12 -2.44514448e-13] [-1.00408570e-12 3.83797923e-04 8.74088855e-05] [-4.28667518e-13 2.25459184e-04 -5.21450915e-04] [-1.85106444e-12 -2.25459183e-04 5.21450916e-04] [-6.25690472e-13 -3.83797922e-04 -8.74088864e-05] [-2.60181572e-04 3.39114823e-04 -2.60074769e-04] [-2.60181573e-04 -3.39114822e-04 2.60074769e-04] [ 2.60181570e-04 3.39114822e-04 -2.60074771e-04] [ 2.60181571e-04 -3.39114822e-04 2.60074771e-04] [-2.17134842e-04 7.91620838e-05 3.39409858e-04] [ 2.17134839e-04 7.91620805e-05 3.39409858e-04] [-2.17134840e-04 -7.91620828e-05 -3.39409859e-04] [ 2.17134839e-04 -7.91620807e-05 -3.39409858e-04] [ 6.33189681e-13 3.83797923e-04 8.74088852e-05] [ 8.98839163e-13 2.25459183e-04 -5.21450916e-04] [ 1.03579948e-12 -2.25459183e-04 5.21450916e-04] [ 1.13898344e-12 -3.83797924e-04 -8.74088846e-05] [-2.60181571e-04 3.39114822e-04 -2.60074771e-04] [-2.60181571e-04 -3.39114823e-04 2.60074770e-04] [ 2.60181574e-04 3.39114822e-04 -2.60074768e-04] [ 2.60181573e-04 -3.39114823e-04 2.60074768e-04] [-2.17134839e-04 7.91620804e-05 3.39409859e-04] [ 2.17134840e-04 7.91620817e-05 3.39409858e-04] [-2.17134838e-04 -7.91620798e-05 -3.39409858e-04] [ 2.17134841e-04 -7.91620832e-05 -3.39409859e-04]] Final stress: [-9.80838884e-06 1.39041389e-05 -9.80440202e-06 8.84462007e-06 -5.65272947e-17 9.31037796e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.59046318e-04 -2.78744475e-13 -2.70439053e-14] [-1.59046318e-04 -3.21687121e-14 -2.24820162e-14] [-6.00613309e-14 -3.83124384e-04 1.12872470e-06] [ 7.51898543e-14 3.83124385e-04 -1.12872457e-06] [ 1.15593299e-13 1.27729950e-06 1.59653601e-04] [-7.74380560e-15 -1.27729930e-06 -1.59653600e-04] [ 1.59046319e-04 3.67850715e-13 -8.10282687e-14] [-1.59046318e-04 2.30428523e-13 1.12625248e-13] [-1.36297657e-13 -3.83124384e-04 1.12872421e-06] [ 5.65693326e-14 3.83124385e-04 -1.12872415e-06] [ 1.92224708e-14 1.27729925e-06 1.59653600e-04] [-1.75574399e-13 -1.27729970e-06 -1.59653600e-04] [-3.95984264e-04 1.14415106e-04 -7.62490320e-05] [-7.72788503e-05 5.14997074e-05 -2.41858461e-04] [-7.72788515e-05 -5.14997071e-05 2.41858462e-04] [-3.95984264e-04 -1.14415106e-04 7.62490321e-05] [ 7.72788511e-05 -5.14997069e-05 2.41858461e-04] [ 3.95984265e-04 -1.14415106e-04 7.62490322e-05] [ 7.72788506e-05 5.14997069e-05 -2.41858461e-04] [ 3.95984264e-04 1.14415106e-04 -7.62490322e-05] [-3.95984265e-04 1.14415106e-04 -7.62490319e-05] [-7.72788510e-05 5.14997068e-05 -2.41858462e-04] [-7.72788507e-05 -5.14997067e-05 2.41858461e-04] [-3.95984264e-04 -1.14415105e-04 7.62490321e-05] [ 7.72788505e-05 -5.14997072e-05 2.41858461e-04] [ 3.95984264e-04 -1.14415106e-04 7.62490319e-05] [ 7.72788506e-05 5.14997068e-05 -2.41858462e-04] [ 3.95984264e-04 1.14415106e-04 -7.62490313e-05] [ 7.57782725e-13 -7.13457071e-13 -5.29964961e-13] [-3.88500430e-13 -1.30513380e-12 2.38652746e-13] [-3.25295346e-14 -2.57178016e-04 -3.97398809e-04] [ 1.20174704e-13 -2.39552315e-04 9.87752973e-05] [-4.56929633e-13 2.39552316e-04 -9.87752963e-05] [-6.46633788e-13 2.57178016e-04 3.97398807e-04] [-2.50537608e-04 -4.63819265e-04 -2.50468343e-04] [-2.50537609e-04 4.63819265e-04 2.50468342e-04] [ 2.50537607e-04 -4.63819265e-04 -2.50468344e-04] [ 2.50537608e-04 4.63819265e-04 2.50468343e-04] [-1.49403691e-04 -8.83579659e-06 -4.64037690e-04] [ 1.49403689e-04 -8.83579837e-06 -4.64037690e-04] [-1.49403688e-04 8.83579904e-06 4.64037689e-04] [ 1.49403688e-04 8.83579994e-06 4.64037690e-04] [ 6.40976421e-13 -2.57178016e-04 -3.97398806e-04] [ 7.50439207e-13 -2.39552314e-04 9.87752982e-05] [ 9.56984925e-13 2.39552314e-04 -9.87752990e-05] [ 8.39777033e-13 2.57178014e-04 3.97398810e-04] [-2.50537607e-04 -4.63819267e-04 -2.50468344e-04] [-2.50537607e-04 4.63819266e-04 2.50468344e-04] [ 2.50537608e-04 -4.63819267e-04 -2.50468343e-04] [ 2.50537607e-04 4.63819265e-04 2.50468344e-04] [-1.49403689e-04 -8.83579853e-06 -4.64037689e-04] [ 1.49403690e-04 -8.83579769e-06 -4.64037689e-04] [-1.49403689e-04 8.83579819e-06 4.64037688e-04] [ 1.49403690e-04 8.83579705e-06 4.64037688e-04]] Final stress: [-9.99743301e-06 1.44401204e-05 -9.99345184e-06 -1.02147620e-05 3.55789443e-16 -1.14717157e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.68068655e-05 -8.61576435e-14 -5.39755638e-05] [ 5.68068657e-05 5.55666624e-14 5.39755640e-05] [ 1.74020954e-13 4.19468137e-04 1.27595851e-13] [ 9.88931159e-14 -4.19468137e-04 1.37390099e-13] [-5.39755638e-05 -1.76499006e-13 -5.68068654e-05] [ 5.39755641e-05 -1.94733119e-13 5.68068649e-05] [-5.68068647e-05 6.25896904e-14 -5.39755640e-05] [ 5.68068650e-05 -3.49091415e-14 5.39755639e-05] [-1.36033546e-13 4.19468137e-04 -2.88716366e-14] [-5.28474833e-14 -4.19468136e-04 -6.41755686e-14] [-5.39755639e-05 1.55995567e-13 -5.68068651e-05] [ 5.39755638e-05 1.92938632e-13 5.68068648e-05] [ 1.15579050e-04 1.86548930e-04 1.15579050e-04] [-1.82280906e-04 2.93682165e-04 1.82280906e-04] [-1.15579049e-04 1.86548929e-04 -1.15579050e-04] [ 1.82280906e-04 2.93682164e-04 -1.82280906e-04] [ 1.82280906e-04 -2.93682164e-04 -1.82280906e-04] [-1.15579050e-04 -1.86548929e-04 -1.15579049e-04] [ 1.15579050e-04 -1.86548930e-04 1.15579050e-04] [-1.82280906e-04 -2.93682165e-04 1.82280906e-04] [ 1.15579050e-04 1.86548930e-04 1.15579050e-04] [-1.82280906e-04 2.93682164e-04 1.82280907e-04] [-1.15579050e-04 1.86548930e-04 -1.15579050e-04] [ 1.82280906e-04 2.93682164e-04 -1.82280906e-04] [ 1.82280906e-04 -2.93682164e-04 -1.82280906e-04] [-1.15579050e-04 -1.86548929e-04 -1.15579050e-04] [ 1.15579049e-04 -1.86548929e-04 1.15579050e-04] [-1.82280906e-04 -2.93682164e-04 1.82280906e-04] [ 5.82756066e-13 -1.65062408e-13 -1.28563826e-13] [-7.41679287e-13 -7.48746321e-14 2.08978334e-13] [ 3.57779193e-04 3.70531722e-05 8.43824530e-05] [ 3.57779194e-04 -3.70531720e-05 8.43824532e-05] [-3.57779193e-04 3.70531719e-05 -8.43824532e-05] [-3.57779193e-04 -3.70531721e-05 -8.43824532e-05] [ 5.42048332e-04 -2.99760217e-13 5.42048332e-04] [-6.03878072e-05 9.18709553e-14 6.03878063e-05] [ 6.03878070e-05 -5.14654291e-13 -6.03878067e-05] [-5.42048331e-04 -2.42219439e-13 -5.42048332e-04] [ 8.43824536e-05 3.70531719e-05 3.57779195e-04] [-8.43824539e-05 3.70531712e-05 -3.57779193e-04] [ 8.43824540e-05 -3.70531718e-05 3.57779194e-04] [-8.43824537e-05 -3.70531719e-05 -3.57779193e-04] [ 3.57779193e-04 3.70531718e-05 8.43824540e-05] [ 3.57779194e-04 -3.70531721e-05 8.43824537e-05] [-3.57779194e-04 3.70531719e-05 -8.43824539e-05] [-3.57779193e-04 -3.70531713e-05 -8.43824548e-05] [ 5.42048332e-04 3.35027300e-13 5.42048332e-04] [-6.03878067e-05 -6.93262722e-14 6.03878069e-05] [ 6.03878062e-05 1.86321444e-13 -6.03878073e-05] [-5.42048332e-04 -9.80760612e-14 -5.42048332e-04] [ 8.43824531e-05 3.70531725e-05 3.57779194e-04] [-8.43824538e-05 3.70531722e-05 -3.57779193e-04] [ 8.43824534e-05 -3.70531721e-05 3.57779194e-04] [-8.43824533e-05 -3.70531723e-05 -3.57779193e-04]] Final stress: [ 1.01189993e-05 -1.45063421e-05 1.01189993e-05 2.42724075e-16 9.59888729e-06 -2.46049062e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-5.74356919e-05 -1.89054068e-13 2.76398565e-05] [ 5.74356921e-05 1.85601534e-13 -2.76398561e-05] [-8.73910319e-15 4.25938257e-04 3.84674931e-15] [-1.68198788e-14 -4.25938256e-04 1.20514709e-13] [ 2.76398565e-05 -1.81434728e-14 -5.74356920e-05] [-2.76398561e-05 3.56381591e-14 5.74356915e-05] [-5.74356920e-05 5.79779280e-14 2.76398560e-05] [ 5.74356913e-05 -1.00056248e-13 -2.76398561e-05] [-9.53412696e-14 4.25938256e-04 -8.96766429e-14] [ 4.67612060e-14 -4.25938256e-04 -3.10016309e-13] [ 2.76398560e-05 -4.97138459e-14 -5.74356920e-05] [-2.76398563e-05 -2.10793465e-14 5.74356913e-05] [ 1.90408419e-04 -3.11718868e-04 1.90408420e-04] [-1.07816477e-04 -2.00843052e-04 1.07816477e-04] [-1.90408420e-04 -3.11718868e-04 -1.90408420e-04] [ 1.07816477e-04 -2.00843052e-04 -1.07816477e-04] [ 1.07816478e-04 2.00843052e-04 -1.07816478e-04] [-1.90408420e-04 3.11718868e-04 -1.90408420e-04] [ 1.90408419e-04 3.11718868e-04 1.90408420e-04] [-1.07816478e-04 2.00843052e-04 1.07816477e-04] [ 1.90408419e-04 -3.11718868e-04 1.90408420e-04] [-1.07816478e-04 -2.00843052e-04 1.07816477e-04] [-1.90408420e-04 -3.11718868e-04 -1.90408420e-04] [ 1.07816477e-04 -2.00843052e-04 -1.07816478e-04] [ 1.07816477e-04 2.00843052e-04 -1.07816478e-04] [-1.90408420e-04 3.11718868e-04 -1.90408420e-04] [ 1.90408419e-04 3.11718868e-04 1.90408420e-04] [-1.07816478e-04 2.00843052e-04 1.07816477e-04] [ 2.80275803e-13 -3.40283357e-13 5.00210984e-13] [ 2.21993431e-13 -2.94010126e-13 8.42643592e-13] [-3.65785508e-04 7.41786783e-05 4.48554508e-05] [-3.65785509e-04 -7.41786782e-05 4.48554510e-05] [ 3.65785510e-04 7.41786775e-05 -4.48554511e-05] [ 3.65785510e-04 -7.41786772e-05 -4.48554517e-05] [-6.23622495e-05 -2.62900812e-13 -6.23622493e-05] [ 5.33878085e-04 5.62673172e-13 -5.33878084e-04] [-5.33878084e-04 -2.84626489e-13 5.33878085e-04] [ 6.23622490e-05 1.15291457e-13 6.23622500e-05] [ 4.48554508e-05 7.41786785e-05 -3.65785509e-04] [-4.48554494e-05 7.41786791e-05 3.65785510e-04] [ 4.48554512e-05 -7.41786781e-05 -3.65785510e-04] [-4.48554500e-05 -7.41786786e-05 3.65785510e-04] [-3.65785510e-04 7.41786787e-05 4.48554505e-05] [-3.65785510e-04 -7.41786799e-05 4.48554495e-05] [ 3.65785510e-04 7.41786780e-05 -4.48554509e-05] [ 3.65785509e-04 -7.41786775e-05 -4.48554514e-05] [-6.23622506e-05 -4.65324497e-13 -6.23622483e-05] [ 5.33878083e-04 6.38473649e-14 -5.33878086e-04] [-5.33878084e-04 -2.91615690e-14 5.33878085e-04] [ 6.23622488e-05 -8.57719711e-13 6.23622504e-05] [ 4.48554506e-05 7.41786785e-05 -3.65785510e-04] [-4.48554513e-05 7.41786774e-05 3.65785510e-04] [ 4.48554502e-05 -7.41786788e-05 -3.65785510e-04] [-4.48554515e-05 -7.41786774e-05 3.65785510e-04]] Final stress: [ 1.02608214e-05 -1.46104411e-05 1.02608214e-05 -8.31246831e-18 -9.87912946e-06 -3.60761125e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 5.53136043e-06 -2.65763973e-14 -1.56976691e-04] [-5.53136132e-06 3.08086889e-14 1.56976691e-04] [ 2.87314877e-13 -4.12973900e-04 1.86981073e-13] [ 2.66314748e-13 4.12973900e-04 7.61612995e-14] [-1.56976691e-04 -1.54137987e-13 5.53136072e-06] [ 1.56976691e-04 9.50073353e-14 -5.53136097e-06] [ 5.53136164e-06 7.01847434e-14 -1.56976691e-04] [-5.53136086e-06 -3.07267232e-14 1.56976691e-04] [-1.75921343e-13 -4.12973900e-04 2.40155134e-15] [-1.38574915e-13 4.12973901e-04 -1.24843618e-14] [-1.56976691e-04 1.90510159e-13 5.53136127e-06] [ 1.56976691e-04 1.32496325e-14 -5.53136115e-06] [-1.36042806e-04 2.39796341e-04 -1.36042806e-04] [ 1.60782448e-04 1.36675288e-04 -1.60782448e-04] [ 1.36042806e-04 2.39796340e-04 1.36042806e-04] [-1.60782448e-04 1.36675288e-04 1.60782448e-04] [-1.60782448e-04 -1.36675288e-04 1.60782448e-04] [ 1.36042806e-04 -2.39796340e-04 1.36042806e-04] [-1.36042806e-04 -2.39796341e-04 -1.36042806e-04] [ 1.60782448e-04 -1.36675288e-04 -1.60782448e-04] [-1.36042806e-04 2.39796341e-04 -1.36042806e-04] [ 1.60782448e-04 1.36675288e-04 -1.60782448e-04] [ 1.36042806e-04 2.39796341e-04 1.36042806e-04] [-1.60782448e-04 1.36675288e-04 1.60782448e-04] [-1.60782448e-04 -1.36675288e-04 1.60782448e-04] [ 1.36042806e-04 -2.39796341e-04 1.36042806e-04] [-1.36042807e-04 -2.39796340e-04 -1.36042807e-04] [ 1.60782448e-04 -1.36675287e-04 -1.60782448e-04] [ 1.18335897e-12 -6.64523991e-13 7.83428877e-13] [-1.07285101e-12 5.90358028e-14 -1.91420664e-13] [ 2.83936691e-04 7.70771340e-05 -2.01158313e-04] [ 2.83936692e-04 -7.70771346e-05 -2.01158313e-04] [-2.83936692e-04 7.70771331e-05 2.01158312e-04] [-2.83936692e-04 -7.70771325e-05 2.01158311e-04] [ 7.18879191e-05 -1.48214774e-13 7.18879197e-05] [-5.88238335e-04 -1.76032799e-13 5.88238334e-04] [ 5.88238334e-04 -5.00034042e-13 -5.88238335e-04] [-7.18879193e-05 -8.29008737e-13 -7.18879183e-05] [-2.01158312e-04 7.70771331e-05 2.83936692e-04] [ 2.01158312e-04 7.70771329e-05 -2.83936693e-04] [-2.01158313e-04 -7.70771342e-05 2.83936692e-04] [ 2.01158312e-04 -7.70771334e-05 -2.83936692e-04] [ 2.83936693e-04 7.70771340e-05 -2.01158313e-04] [ 2.83936692e-04 -7.70771331e-05 -2.01158312e-04] [-2.83936691e-04 7.70771343e-05 2.01158313e-04] [-2.83936692e-04 -7.70771336e-05 2.01158312e-04] [ 7.18879183e-05 -4.49165030e-13 7.18879194e-05] [-5.88238334e-04 2.40972606e-13 5.88238336e-04] [ 5.88238335e-04 1.96713305e-14 -5.88238334e-04] [-7.18879192e-05 4.37780454e-13 -7.18879186e-05] [-2.01158312e-04 7.70771336e-05 2.83936693e-04] [ 2.01158312e-04 7.70771338e-05 -2.83936692e-04] [-2.01158311e-04 -7.70771328e-05 2.83936692e-04] [ 2.01158313e-04 -7.70771343e-05 -2.83936692e-04]] Final stress: [-9.88501068e-06 1.37306626e-05 -9.88501068e-06 1.86207559e-16 8.46700976e-06 2.17796342e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.02184338e-06 1.94176272e-14 1.16024458e-04] [ 4.02184301e-06 -4.42146320e-14 -1.16024458e-04] [-3.14015307e-14 -4.27976899e-04 -9.18631490e-14] [ 1.55708779e-14 4.27976899e-04 -1.14352972e-14] [ 1.16024458e-04 -2.52549717e-13 -4.02184290e-06] [-1.16024459e-04 -5.09869924e-14 4.02184290e-06] [-4.02184242e-06 -6.81386371e-14 1.16024458e-04] [ 4.02184288e-06 1.80146696e-14 -1.16024458e-04] [ 3.42737991e-14 -4.27976899e-04 4.06263257e-14] [-7.25253191e-14 4.27976900e-04 1.67871644e-14] [ 1.16024458e-04 8.30891597e-14 -4.02184255e-06] [-1.16024458e-04 5.30636576e-15 4.02184279e-06] [-1.51431877e-04 -1.60177402e-04 -1.51431877e-04] [ 1.44852580e-04 -2.73295298e-04 -1.44852580e-04] [ 1.51431878e-04 -1.60177403e-04 1.51431878e-04] [-1.44852580e-04 -2.73295299e-04 1.44852580e-04] [-1.44852580e-04 2.73295298e-04 1.44852580e-04] [ 1.51431878e-04 1.60177403e-04 1.51431878e-04] [-1.51431877e-04 1.60177402e-04 -1.51431878e-04] [ 1.44852580e-04 2.73295298e-04 -1.44852580e-04] [-1.51431877e-04 -1.60177402e-04 -1.51431878e-04] [ 1.44852580e-04 -2.73295299e-04 -1.44852580e-04] [ 1.51431877e-04 -1.60177402e-04 1.51431877e-04] [-1.44852580e-04 -2.73295298e-04 1.44852580e-04] [-1.44852580e-04 2.73295299e-04 1.44852580e-04] [ 1.51431878e-04 1.60177402e-04 1.51431878e-04] [-1.51431878e-04 1.60177402e-04 -1.51431878e-04] [ 1.44852580e-04 2.73295299e-04 -1.44852580e-04] [ 3.95655730e-13 -6.24056362e-13 -3.37452288e-13] [-5.84625230e-13 -7.88640999e-14 -3.57081539e-13] [-2.87612625e-04 1.42183162e-05 -1.30643578e-04] [-2.87612625e-04 -1.42183171e-05 -1.30643579e-04] [ 2.87612624e-04 1.42183163e-05 1.30643578e-04] [ 2.87612623e-04 -1.42183168e-05 1.30643579e-04] [-5.78741232e-04 -3.92130772e-13 -5.78741231e-04] [ 8.10424369e-05 -3.92498534e-14 -8.10424365e-05] [-8.10424376e-05 2.26138552e-14 8.10424355e-05] [ 5.78741230e-04 1.31634287e-13 5.78741233e-04] [-1.30643582e-04 1.42183201e-05 -2.87612624e-04] [ 1.30643581e-04 1.42183187e-05 2.87612625e-04] [-1.30643581e-04 -1.42183193e-05 -2.87612624e-04] [ 1.30643580e-04 -1.42183183e-05 2.87612624e-04] [-2.87612624e-04 1.42183186e-05 -1.30643580e-04] [-2.87612624e-04 -1.42183196e-05 -1.30643581e-04] [ 2.87612625e-04 1.42183186e-05 1.30643580e-04] [ 2.87612625e-04 -1.42183189e-05 1.30643580e-04] [-5.78741232e-04 3.27143004e-13 -5.78741231e-04] [ 8.10424358e-05 5.87951996e-14 -8.10424374e-05] [-8.10424346e-05 -1.45935347e-13 8.10424390e-05] [ 5.78741234e-04 4.98993208e-14 5.78741230e-04] [-1.30643578e-04 1.42183167e-05 -2.87612624e-04] [ 1.30643580e-04 1.42183184e-05 2.87612624e-04] [-1.30643578e-04 -1.42183160e-05 -2.87612625e-04] [ 1.30643579e-04 -1.42183174e-05 2.87612624e-04]] Final stress: [-1.01583169e-05 1.38845820e-05 -1.01583169e-05 -1.33005399e-16 -8.89562673e-06 -1.97845532e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.96041195e-05 -1.32253989e-04 3.47018421e-14] [ 2.96041195e-05 1.32253989e-04 7.04991621e-14] [-1.32594440e-04 4.10323063e-04 9.15873280e-14] [ 1.32594440e-04 -4.10323063e-04 1.13631327e-13] [-2.29351260e-13 -1.40920262e-13 -3.01215216e-05] [-1.29618538e-13 -4.16805479e-13 3.01215215e-05] [-2.96041187e-05 -1.32253989e-04 -1.95049851e-14] [ 2.96041203e-05 1.32253989e-04 -6.28477832e-14] [-1.32594441e-04 4.10323064e-04 -2.22793957e-13] [ 1.32594440e-04 -4.10323064e-04 -7.89973081e-14] [ 1.18013238e-14 2.36932286e-13 -3.01215225e-05] [ 1.43176269e-13 1.93632417e-13 3.01215214e-05] [ 1.45364502e-04 -5.39056960e-05 3.45767614e-04] [-1.45364501e-04 5.39056961e-05 3.45767613e-04] [-1.47821675e-04 -5.19597893e-05 5.30154190e-05] [ 1.47821676e-04 5.19597884e-05 5.30154183e-05] [ 1.45364502e-04 -5.39056960e-05 -3.45767614e-04] [-1.45364502e-04 5.39056960e-05 -3.45767613e-04] [ 1.47821676e-04 5.19597888e-05 -5.30154181e-05] [-1.47821675e-04 -5.19597893e-05 -5.30154190e-05] [ 1.45364502e-04 -5.39056959e-05 3.45767613e-04] [-1.45364502e-04 5.39056965e-05 3.45767614e-04] [-1.47821676e-04 -5.19597890e-05 5.30154182e-05] [ 1.47821675e-04 5.19597892e-05 5.30154184e-05] [ 1.45364502e-04 -5.39056961e-05 -3.45767614e-04] [-1.45364502e-04 5.39056964e-05 -3.45767614e-04] [ 1.47821675e-04 5.19597891e-05 -5.30154186e-05] [-1.47821676e-04 -5.19597887e-05 -5.30154183e-05] [-1.44495527e-13 -9.29867294e-13 -3.56659147e-14] [-1.58724943e-12 4.59937972e-13 7.02457619e-13] [ 3.10285295e-04 -5.58012220e-05 1.75920719e-04] [-3.10285296e-04 5.58012212e-05 1.75920718e-04] [ 3.10285295e-04 -5.58012222e-05 -1.75920719e-04] [-3.10285296e-04 5.58012215e-05 -1.75920718e-04] [ 2.52349779e-04 3.10604679e-04 2.52241466e-04] [ 2.52349779e-04 3.10604678e-04 -2.52241466e-04] [-2.52349781e-04 -3.10604679e-04 2.52241464e-04] [-2.52349779e-04 -3.10604679e-04 -2.52241465e-04] [ 4.97657381e-04 2.65686818e-04 2.05169215e-13] [ 1.45572972e-04 -3.77262126e-04 9.23046362e-15] [-1.45572972e-04 3.77262126e-04 4.10747825e-13] [-4.97657382e-04 -2.65686818e-04 3.43185549e-13] [ 3.10285296e-04 -5.58012219e-05 1.75920719e-04] [-3.10285295e-04 5.58012223e-05 1.75920719e-04] [ 3.10285296e-04 -5.58012220e-05 -1.75920719e-04] [-3.10285295e-04 5.58012216e-05 -1.75920718e-04] [ 2.52349780e-04 3.10604678e-04 2.52241465e-04] [ 2.52349780e-04 3.10604678e-04 -2.52241466e-04] [-2.52349780e-04 -3.10604678e-04 2.52241466e-04] [-2.52349780e-04 -3.10604678e-04 -2.52241466e-04] [ 4.97657381e-04 2.65686819e-04 4.70980819e-13] [ 1.45572973e-04 -3.77262125e-04 -1.50475234e-14] [-1.45572972e-04 3.77262127e-04 2.26097227e-13] [-4.97657381e-04 -2.65686819e-04 2.88786790e-13]] Final stress: [ 9.80742666e-06 -1.41430429e-05 9.80303008e-06 2.94261378e-16 -1.79549315e-16 8.73672828e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.01135879e-06 1.89594750e-04 7.02983678e-14] [ 4.01135874e-06 -1.89594750e-04 7.99638133e-14] [ 1.89991487e-04 4.05365518e-04 -8.93330548e-14] [-1.89991487e-04 -4.05365518e-04 1.59816604e-13] [-3.82541221e-14 5.39117362e-14 -4.50120671e-06] [ 7.91033905e-15 -1.42968970e-13 4.50120688e-06] [-4.01135913e-06 1.89594750e-04 6.47568952e-14] [ 4.01135841e-06 -1.89594750e-04 7.49776695e-15] [ 1.89991487e-04 4.05365517e-04 8.75723681e-14] [-1.89991487e-04 -4.05365518e-04 -6.05617763e-14] [ 1.22688318e-14 -2.35611483e-13 -4.50120688e-06] [-3.57188237e-14 2.10410477e-14 4.50120667e-06] [ 1.20169949e-04 -7.83772561e-05 -2.74625350e-05] [-1.20169949e-04 7.83772559e-05 -2.74625346e-05] [-1.68537135e-04 -2.94062621e-05 -3.15791205e-04] [ 1.68537135e-04 2.94062629e-05 -3.15791205e-04] [ 1.20169949e-04 -7.83772560e-05 2.74625351e-05] [-1.20169949e-04 7.83772559e-05 2.74625349e-05] [ 1.68537135e-04 2.94062628e-05 3.15791204e-04] [-1.68537135e-04 -2.94062625e-05 3.15791205e-04] [ 1.20169949e-04 -7.83772558e-05 -2.74625355e-05] [-1.20169949e-04 7.83772558e-05 -2.74625351e-05] [-1.68537135e-04 -2.94062627e-05 -3.15791205e-04] [ 1.68537135e-04 2.94062625e-05 -3.15791205e-04] [ 1.20169949e-04 -7.83772557e-05 2.74625352e-05] [-1.20169949e-04 7.83772557e-05 2.74625350e-05] [ 1.68537135e-04 2.94062626e-05 3.15791205e-04] [-1.68537135e-04 -2.94062624e-05 3.15791205e-04] [ 4.82919260e-13 5.16364729e-13 -5.46229728e-14] [ 7.49034515e-13 3.14195716e-13 3.31668116e-13] [-2.69865344e-04 -1.16804438e-04 2.33903117e-04] [ 2.69865343e-04 1.16804436e-04 2.33903115e-04] [-2.69865344e-04 -1.16804439e-04 -2.33903118e-04] [ 2.69865342e-04 1.16804437e-04 -2.33903116e-04] [ 2.59459626e-04 -2.70210457e-04 2.59331608e-04] [ 2.59459626e-04 -2.70210457e-04 -2.59331608e-04] [-2.59459628e-04 2.70210457e-04 2.59331605e-04] [-2.59459627e-04 2.70210457e-04 -2.59331606e-04] [-1.04204306e-04 -4.54901182e-04 -5.58664226e-13] [-5.72274442e-04 2.21300855e-04 -2.54905472e-13] [ 5.72274441e-04 -2.21300855e-04 -3.18483087e-13] [ 1.04204305e-04 4.54901184e-04 -4.18330301e-13] [-2.69865343e-04 -1.16804438e-04 2.33903116e-04] [ 2.69865344e-04 1.16804437e-04 2.33903116e-04] [-2.69865343e-04 -1.16804437e-04 -2.33903116e-04] [ 2.69865344e-04 1.16804437e-04 -2.33903115e-04] [ 2.59459626e-04 -2.70210456e-04 2.59331607e-04] [ 2.59459627e-04 -2.70210457e-04 -2.59331606e-04] [-2.59459625e-04 2.70210456e-04 2.59331608e-04] [-2.59459626e-04 2.70210457e-04 -2.59331607e-04] [-1.04204305e-04 -4.54901184e-04 4.09139941e-13] [-5.72274440e-04 2.21300856e-04 -1.51383670e-13] [ 5.72274444e-04 -2.21300853e-04 4.10681316e-13] [ 1.04204305e-04 4.54901183e-04 2.00936490e-13]] Final stress: [ 9.61005949e-06 -1.38619676e-05 9.60558358e-06 -2.42724075e-16 2.36074100e-16 -8.11442912e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.71663329e-06 -1.27758324e-04 2.28909773e-14] [ 1.71663286e-06 1.27758323e-04 6.46427356e-14] [-1.27420803e-04 -4.23478052e-04 -7.80976846e-14] [ 1.27420803e-04 4.23478053e-04 4.87665464e-14] [ 1.49463775e-13 -1.56309861e-13 -2.21886989e-06] [ 2.95874436e-14 3.46389584e-14 2.21886910e-06] [-1.71663303e-06 -1.27758323e-04 -1.51904840e-13] [ 1.71663333e-06 1.27758323e-04 -1.59322910e-13] [-1.27420803e-04 -4.23478053e-04 9.94994098e-15] [ 1.27420803e-04 4.23478052e-04 9.26987276e-14] [-3.47622105e-13 4.78029221e-14 -2.21886959e-06] [-1.16164890e-13 -5.07960859e-15 2.21886967e-06] [-1.42193271e-04 6.12040179e-05 6.08705397e-05] [ 1.42193271e-04 -6.12040177e-05 6.08705397e-05] [ 1.54166731e-04 4.97156466e-05 3.57648801e-04] [-1.54166731e-04 -4.97156470e-05 3.57648800e-04] [-1.42193271e-04 6.12040180e-05 -6.08705395e-05] [ 1.42193271e-04 -6.12040176e-05 -6.08705394e-05] [-1.54166731e-04 -4.97156473e-05 -3.57648800e-04] [ 1.54166731e-04 4.97156469e-05 -3.57648801e-04] [-1.42193271e-04 6.12040177e-05 6.08705391e-05] [ 1.42193271e-04 -6.12040178e-05 6.08705396e-05] [ 1.54166730e-04 4.97156474e-05 3.57648800e-04] [-1.54166731e-04 -4.97156466e-05 3.57648801e-04] [-1.42193271e-04 6.12040180e-05 -6.08705395e-05] [ 1.42193271e-04 -6.12040180e-05 -6.08705395e-05] [-1.54166731e-04 -4.97156465e-05 -3.57648801e-04] [ 1.54166731e-04 4.97156467e-05 -3.57648800e-04] [ 7.64943664e-13 -3.73867604e-13 7.94947441e-13] [-8.24868385e-13 5.40423196e-13 -3.96915284e-13] [ 2.86227954e-04 3.18366978e-05 -1.50140712e-04] [-2.86227954e-04 -3.18366978e-05 -1.50140712e-04] [ 2.86227955e-04 3.18366993e-05 1.50140714e-04] [-2.86227954e-04 -3.18366989e-05 1.50140713e-04] [-2.51336628e-04 2.85909245e-04 -2.51444302e-04] [-2.51336628e-04 2.85909244e-04 2.51444301e-04] [ 2.51336626e-04 -2.85909244e-04 -2.51444304e-04] [ 2.51336627e-04 -2.85909245e-04 2.51444303e-04] [ 1.79574513e-04 3.61549292e-04 5.55111512e-16] [ 4.79617096e-04 -2.97851930e-04 -7.11895820e-13] [-4.79617095e-04 2.97851930e-04 8.14898496e-13] [-1.79574514e-04 -3.61549291e-04 1.60638863e-13] [ 2.86227955e-04 3.18366987e-05 -1.50140713e-04] [-2.86227954e-04 -3.18366981e-05 -1.50140713e-04] [ 2.86227955e-04 3.18366985e-05 1.50140712e-04] [-2.86227954e-04 -3.18367001e-05 1.50140714e-04] [-2.51336628e-04 2.85909244e-04 -2.51444302e-04] [-2.51336628e-04 2.85909244e-04 2.51444301e-04] [ 2.51336627e-04 -2.85909245e-04 -2.51444303e-04] [ 2.51336628e-04 -2.85909245e-04 2.51444301e-04] [ 1.79574515e-04 3.61549290e-04 3.53017232e-13] [ 4.79617095e-04 -2.97851930e-04 2.53219825e-13] [-4.79617095e-04 2.97851931e-04 -3.24468788e-13] [-1.79574514e-04 -3.61549292e-04 -3.59504527e-13]] Final stress: [-1.00854080e-05 1.38431931e-05 -1.00897300e-05 -1.76232154e-16 -6.48401322e-17 8.78713474e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.12910539e-05 4.19085799e-05 -2.21904526e-13] [ 2.12910542e-05 -4.19085799e-05 -5.77593529e-14] [ 4.16264492e-05 -4.54973225e-04 1.35020033e-13] [-4.16264494e-05 4.54973225e-04 -1.07219789e-13] [ 3.53675422e-14 2.75803685e-14 -2.18117872e-05] [-8.76243522e-14 9.86155602e-14 2.18117865e-05] [-2.12910546e-05 4.19085802e-05 1.56040799e-13] [ 2.12910547e-05 -4.19085799e-05 9.79393929e-15] [ 4.16264491e-05 -4.54973224e-04 7.79128691e-14] [-4.16264493e-05 4.54973225e-04 1.17982076e-13] [-1.09948509e-13 -9.86622771e-14 -2.18117867e-05] [ 1.45118292e-13 -1.54434094e-14 2.18117867e-05] [-1.34375778e-04 7.93631733e-05 -4.16726284e-04] [ 1.34375778e-04 -7.93631732e-05 -4.16726284e-04] [ 1.60739029e-04 5.26790983e-05 -1.21141003e-04] [-1.60739029e-04 -5.26790982e-05 -1.21141003e-04] [-1.34375778e-04 7.93631734e-05 4.16726283e-04] [ 1.34375778e-04 -7.93631734e-05 4.16726283e-04] [-1.60739029e-04 -5.26790980e-05 1.21141003e-04] [ 1.60739029e-04 5.26790983e-05 1.21141003e-04] [-1.34375778e-04 7.93631731e-05 -4.16726284e-04] [ 1.34375778e-04 -7.93631732e-05 -4.16726283e-04] [ 1.60739029e-04 5.26790982e-05 -1.21141003e-04] [-1.60739029e-04 -5.26790981e-05 -1.21141003e-04] [-1.34375778e-04 7.93631730e-05 4.16726283e-04] [ 1.34375778e-04 -7.93631732e-05 4.16726284e-04] [-1.60739029e-04 -5.26790983e-05 1.21141003e-04] [ 1.60739030e-04 5.26790979e-05 1.21141003e-04] [-3.31928929e-13 2.65648614e-13 6.64718280e-13] [-1.89213228e-13 -4.46672525e-13 6.68139815e-13] [-2.94043211e-04 -1.05651014e-04 3.16124024e-06] [ 2.94043211e-04 1.05651012e-04 3.16123847e-06] [-2.94043210e-04 -1.05651011e-04 -3.16123800e-06] [ 2.94043211e-04 1.05651011e-04 -3.16123812e-06] [-2.31246418e-04 -2.93741545e-04 -2.31324461e-04] [-2.31246419e-04 -2.93741544e-04 2.31324459e-04] [ 2.31246420e-04 2.93741543e-04 -2.31324458e-04] [ 2.31246420e-04 2.93741543e-04 2.31324458e-04] [-3.25584005e-04 -4.34487105e-04 7.08211267e-13] [-3.32123548e-04 2.23246402e-04 -3.83630627e-13] [ 3.32123546e-04 -2.23246404e-04 5.53170357e-13] [ 3.25584006e-04 4.34487104e-04 -4.55441240e-13] [-2.94043211e-04 -1.05651012e-04 3.16123817e-06] [ 2.94043211e-04 1.05651013e-04 3.16123922e-06] [-2.94043212e-04 -1.05651011e-04 -3.16123705e-06] [ 2.94043210e-04 1.05651012e-04 -3.16123865e-06] [-2.31246419e-04 -2.93741544e-04 -2.31324459e-04] [-2.31246420e-04 -2.93741543e-04 2.31324459e-04] [ 2.31246418e-04 2.93741543e-04 -2.31324460e-04] [ 2.31246421e-04 2.93741545e-04 2.31324458e-04] [-3.25584007e-04 -4.34487103e-04 6.03644742e-14] [-3.32123547e-04 2.23246403e-04 4.89848071e-13] [ 3.32123547e-04 -2.23246404e-04 -6.21275810e-13] [ 3.25584004e-04 4.34487106e-04 3.94814390e-14]] Final stress: [-1.06664841e-05 1.41713940e-05 -1.06711216e-05 2.49385124e-17 -2.39409719e-16 -9.68814710e-06] Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-8.71954834e-03 2.39295129e-13 1.73352218e-13] [ 8.71954834e-03 -8.38107361e-13 1.07241993e-12] [ 1.29239544e-12 -8.71954834e-03 3.18417168e-13] [ 9.02694586e-13 8.71954834e-03 6.16534601e-13] [ 1.14077714e-12 -3.25616704e-13 -1.05929476e-02] [ 8.91176022e-13 -1.57399094e-12 1.05929476e-02] [-8.71954834e-03 -5.11373062e-13 2.18517363e-12] [ 8.71954834e-03 9.40024100e-13 -2.61813199e-13] [ 6.95181759e-14 -8.71954833e-03 -1.33462179e-13] [-8.39849457e-13 8.71954834e-03 6.74662071e-13] [-1.99866599e-13 -3.30487078e-13 -1.05929476e-02] [ 7.16503679e-13 -6.60129277e-13 1.05929476e-02] [-3.18825131e-03 -3.18825131e-03 2.54488478e-03] [ 3.18825131e-03 3.18825132e-03 2.54488478e-03] [ 3.18825132e-03 -3.18825131e-03 -2.54488478e-03] [-3.18825131e-03 3.18825132e-03 -2.54488478e-03] [-3.18825131e-03 -3.18825131e-03 -2.54488478e-03] [ 3.18825131e-03 3.18825132e-03 -2.54488478e-03] [-3.18825131e-03 3.18825132e-03 2.54488478e-03] [ 3.18825132e-03 -3.18825131e-03 2.54488478e-03] [-3.18825131e-03 -3.18825131e-03 2.54488478e-03] [ 3.18825131e-03 3.18825131e-03 2.54488478e-03] [ 3.18825132e-03 -3.18825131e-03 -2.54488478e-03] [-3.18825131e-03 3.18825131e-03 -2.54488478e-03] [-3.18825131e-03 -3.18825131e-03 -2.54488478e-03] [ 3.18825131e-03 3.18825131e-03 -2.54488478e-03] [-3.18825131e-03 3.18825131e-03 2.54488477e-03] [ 3.18825131e-03 -3.18825131e-03 2.54488478e-03] [-1.32388545e-12 -1.59322555e-12 -1.50884860e-12] [ 1.48770319e-13 -2.50184309e-12 7.88747633e-15] [-1.23079325e-12 -1.89860670e-04 -2.47031715e-03] [-1.89717339e-12 1.89860673e-04 -2.47031715e-03] [ 1.41236675e-12 -1.89860676e-04 2.47031715e-03] [-1.54699344e-12 1.89860674e-04 2.47031715e-03] [-1.89860675e-04 -3.57169849e-12 -2.47031715e-03] [-1.89860674e-04 -1.31947231e-12 2.47031715e-03] [ 1.89860675e-04 -1.20031415e-12 -2.47031715e-03] [ 1.89860675e-04 -1.44201491e-12 2.47031715e-03] [-7.51601536e-03 -7.51601536e-03 -3.25883764e-12] [ 7.51601536e-03 -7.51601536e-03 7.18210214e-14] [-7.51601536e-03 7.51601535e-03 -1.08685803e-12] [ 7.51601536e-03 7.51601536e-03 -1.71225707e-12] [-1.31930447e-12 -1.89860674e-04 -2.47031715e-03] [-1.44231935e-12 1.89860674e-04 -2.47031715e-03] [-2.22451528e-12 -1.89860673e-04 2.47031715e-03] [ 4.23957310e-13 1.89860674e-04 2.47031715e-03] [-1.89860676e-04 8.83157607e-13 -2.47031715e-03] [-1.89860672e-04 -6.54862449e-14 2.47031715e-03] [ 1.89860679e-04 3.47839813e-13 -2.47031715e-03] [ 1.89860671e-04 2.27941364e-13 2.47031715e-03] [-7.51601536e-03 -7.51601535e-03 -2.20386119e-13] [ 7.51601535e-03 -7.51601535e-03 -1.90839666e-12] [-7.51601536e-03 7.51601535e-03 -4.97950507e-13] [ 7.51601535e-03 7.51601535e-03 1.80162395e-12]] Final stress: [-3.86887665e-05 -3.86887665e-05 3.77019890e-04 7.43184171e-16 3.04589128e-15 2.52050829e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.38480104e-05 2.13570047e-13 1.16831024e-13] [-2.38480107e-05 1.64146474e-13 -2.12052598e-14] [ 8.04751231e-14 2.43684217e-05 -4.87861351e-05] [ 1.75054415e-13 -2.43684214e-05 4.87861352e-05] [-1.20455729e-13 -4.90952532e-05 4.54474317e-04] [ 1.15962795e-13 4.90952532e-05 -4.54474317e-04] [ 2.38480104e-05 -1.83368945e-13 -1.40664888e-13] [-2.38480107e-05 -1.08341721e-13 -3.14448785e-14] [-2.46608289e-14 2.43684215e-05 -4.87861352e-05] [-2.15473039e-13 -2.43684218e-05 4.87861354e-05] [ 1.18746159e-14 -4.90952531e-05 4.54474317e-04] [-1.50810787e-13 4.90952531e-05 -4.54474317e-04] [ 4.12612454e-04 1.36113686e-04 -7.81356816e-05] [ 1.25656683e-04 -1.51304755e-04 -6.32811379e-05] [ 1.25656683e-04 1.51304755e-04 6.32811378e-05] [ 4.12612454e-04 -1.36113686e-04 7.81356812e-05] [-1.25656683e-04 1.51304755e-04 6.32811376e-05] [-4.12612454e-04 -1.36113686e-04 7.81356812e-05] [-1.25656683e-04 -1.51304755e-04 -6.32811378e-05] [-4.12612454e-04 1.36113686e-04 -7.81356816e-05] [ 4.12612454e-04 1.36113686e-04 -7.81356816e-05] [ 1.25656683e-04 -1.51304755e-04 -6.32811378e-05] [ 1.25656683e-04 1.51304755e-04 6.32811377e-05] [ 4.12612454e-04 -1.36113686e-04 7.81356813e-05] [-1.25656683e-04 1.51304755e-04 6.32811379e-05] [-4.12612454e-04 -1.36113686e-04 7.81356812e-05] [-1.25656683e-04 -1.51304755e-04 -6.32811377e-05] [-4.12612454e-04 1.36113686e-04 -7.81356816e-05] [ 3.07115444e-13 3.88578059e-14 6.98968661e-13] [ 1.12859375e-13 2.49049267e-13 -1.41077746e-13] [ 6.03073147e-13 3.21512062e-04 4.45970972e-04] [ 1.04574335e-13 3.51597121e-04 -2.27155970e-04] [ 4.17561818e-13 -3.51597120e-04 2.27155970e-04] [-4.54636329e-14 -3.21512063e-04 -4.45970970e-04] [-1.51576444e-05 2.84294447e-04 1.09371723e-04] [-1.51576429e-05 -2.84294447e-04 -1.09371722e-04] [ 1.51576437e-05 2.84294447e-04 1.09371722e-04] [ 1.51576428e-05 -2.84294447e-04 -1.09371721e-04] [ 2.28218253e-04 2.28298263e-04 2.84610692e-04] [-2.28218253e-04 2.28298263e-04 2.84610691e-04] [ 2.28218255e-04 -2.28298261e-04 -2.84610690e-04] [-2.28218254e-04 -2.28298262e-04 -2.84610690e-04] [-2.60184235e-13 3.21512063e-04 4.45970970e-04] [ 3.43935817e-13 3.51597119e-04 -2.27155971e-04] [ 3.72068262e-13 -3.51597121e-04 2.27155969e-04] [ 2.15385002e-13 -3.21512062e-04 -4.45970971e-04] [-1.51576432e-05 2.84294446e-04 1.09371722e-04] [-1.51576447e-05 -2.84294447e-04 -1.09371723e-04] [ 1.51576424e-05 2.84294446e-04 1.09371721e-04] [ 1.51576441e-05 -2.84294447e-04 -1.09371723e-04] [ 2.28218254e-04 2.28298262e-04 2.84610691e-04] [-2.28218253e-04 2.28298263e-04 2.84610690e-04] [ 2.28218254e-04 -2.28298262e-04 -2.84610691e-04] [-2.28218254e-04 -2.28298262e-04 -2.84610691e-04]] Final stress: [ 1.05266312e-05 1.05315609e-05 -1.44422506e-05 9.59126236e-06 -2.27761632e-16 -5.48622908e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-6.19002450e-05 -8.04048668e-14 1.24992031e-13] [ 6.19002448e-05 -2.08472128e-13 1.80633286e-13] [-1.97352117e-13 -6.13417973e-05 4.08116466e-05] [ 5.32907052e-14 6.13417971e-05 -4.08116466e-05] [ 1.46315252e-13 4.10638874e-05 4.20990321e-04] [ 1.88016269e-13 -4.10638871e-05 -4.20990321e-04] [-6.19002446e-05 1.26790939e-14 -7.07823076e-14] [ 6.19002453e-05 3.48891922e-13 -3.85042459e-15] [ 3.53213552e-13 -6.13417974e-05 4.08116465e-05] [-3.88604079e-14 6.13417972e-05 -4.08116462e-05] [-1.11322410e-13 4.10638871e-05 4.20990322e-04] [-1.14051997e-13 -4.10638875e-05 -4.20990321e-04] [-9.69963006e-05 1.87922280e-04 -1.47215548e-05] [-3.95022696e-04 -1.10621915e-04 -9.16687074e-05] [-3.95022696e-04 1.10621914e-04 9.16687080e-05] [-9.69963011e-05 -1.87922280e-04 1.47215548e-05] [ 3.95022696e-04 1.10621914e-04 9.16687081e-05] [ 9.69963010e-05 -1.87922279e-04 1.47215547e-05] [ 3.95022696e-04 -1.10621915e-04 -9.16687073e-05] [ 9.69963007e-05 1.87922280e-04 -1.47215549e-05] [-9.69963010e-05 1.87922279e-04 -1.47215551e-05] [-3.95022696e-04 -1.10621915e-04 -9.16687081e-05] [-3.95022696e-04 1.10621915e-04 9.16687077e-05] [-9.69963004e-05 -1.87922280e-04 1.47215547e-05] [ 3.95022696e-04 1.10621915e-04 9.16687077e-05] [ 9.69963006e-05 -1.87922280e-04 1.47215549e-05] [ 3.95022696e-04 -1.10621915e-04 -9.16687079e-05] [ 9.69963007e-05 1.87922279e-04 -1.47215548e-05] [ 1.46549439e-13 4.38482584e-13 5.98410210e-13] [-3.87084895e-13 4.86511350e-13 -1.38721641e-12] [-8.53761506e-14 -2.24806964e-04 -2.49973325e-04] [-6.44099357e-13 -3.71895916e-04 3.46476170e-04] [-3.35842465e-15 3.71895914e-04 -3.46476171e-04] [-7.93542315e-13 2.24806963e-04 2.49973326e-04] [ 7.34375791e-05 -3.65659933e-04 4.82211972e-05] [ 7.34375801e-05 3.65659933e-04 -4.82211963e-05] [-7.34375792e-05 -3.65659933e-04 4.82211968e-05] [-7.34375811e-05 3.65659934e-04 -4.82211954e-05] [ 2.39188391e-04 2.39265577e-04 -3.65940777e-04] [-2.39188391e-04 2.39265577e-04 -3.65940778e-04] [ 2.39188392e-04 -2.39265576e-04 3.65940777e-04] [-2.39188392e-04 -2.39265575e-04 3.65940777e-04] [ 2.45556613e-13 -2.24806964e-04 -2.49973326e-04] [ 8.87969819e-13 -3.71895916e-04 3.46476170e-04] [ 7.73669323e-14 3.71895914e-04 -3.46476172e-04] [ 1.47541701e-13 2.24806963e-04 2.49973327e-04] [ 7.34375796e-05 -3.65659934e-04 4.82211968e-05] [ 7.34375804e-05 3.65659934e-04 -4.82211961e-05] [-7.34375792e-05 -3.65659934e-04 4.82211969e-05] [-7.34375794e-05 3.65659934e-04 -4.82211964e-05] [ 2.39188392e-04 2.39265576e-04 -3.65940778e-04] [-2.39188391e-04 2.39265577e-04 -3.65940777e-04] [ 2.39188392e-04 -2.39265576e-04 3.65940777e-04] [-2.39188393e-04 -2.39265576e-04 3.65940777e-04]] Final stress: [ 1.01543394e-05 1.01588195e-05 -1.45458084e-05 -9.72448039e-06 -1.36324480e-16 7.97996957e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.12292129e-05 3.81630491e-14 1.63640369e-13] [-3.12292138e-05 -7.62723218e-14 6.99162950e-14] [-1.31789978e-13 3.17938348e-05 2.98509027e-05] [ 2.86715096e-13 -3.17938352e-05 -2.98509028e-05] [-1.63455621e-13 3.00468241e-05 -4.49480410e-04] [ 2.22349916e-13 -3.00468238e-05 4.49480409e-04] [ 3.12292128e-05 5.87242928e-14 -2.02158993e-13] [-3.12292136e-05 1.25124737e-13 -1.22918759e-13] [-1.46284460e-13 3.17938354e-05 2.98509026e-05] [-1.67057774e-13 -3.17938349e-05 -2.98509026e-05] [-6.89678349e-14 3.00468239e-05 -4.49480410e-04] [-6.07322352e-14 -3.00468243e-05 4.49480410e-04] [ 1.45043812e-04 -2.02606671e-04 8.97725178e-06] [ 4.48202125e-04 9.99981668e-05 1.11789798e-04] [ 4.48202125e-04 -9.99981663e-05 -1.11789798e-04] [ 1.45043812e-04 2.02606672e-04 -8.97725195e-06] [-4.48202125e-04 -9.99981667e-05 -1.11789799e-04] [-1.45043812e-04 2.02606671e-04 -8.97725177e-06] [-4.48202125e-04 9.99981669e-05 1.11789798e-04] [-1.45043812e-04 -2.02606672e-04 8.97725224e-06] [ 1.45043811e-04 -2.02606672e-04 8.97725174e-06] [ 4.48202125e-04 9.99981666e-05 1.11789798e-04] [ 4.48202125e-04 -9.99981663e-05 -1.11789799e-04] [ 1.45043812e-04 2.02606671e-04 -8.97725167e-06] [-4.48202125e-04 -9.99981664e-05 -1.11789798e-04] [-1.45043812e-04 2.02606671e-04 -8.97725209e-06] [-4.48202125e-04 9.99981667e-05 1.11789798e-04] [-1.45043812e-04 -2.02606672e-04 8.97725199e-06] [ 9.09577968e-13 5.47145662e-13 6.72129019e-13] [ 7.05471272e-13 -5.72929520e-13 2.44301929e-13] [-8.61533067e-14 3.47772170e-04 1.37665881e-04] [ 5.47530771e-14 2.49797170e-04 -4.59992547e-04] [ 2.94507474e-13 -2.49797171e-04 4.59992546e-04] [-6.77751258e-13 -3.47772169e-04 -1.37665882e-04] [ 4.88926470e-05 3.61197593e-04 -1.61205085e-04] [ 4.88926488e-05 -3.61197593e-04 1.61205087e-04] [-4.88926487e-05 3.61197593e-04 -1.61205087e-04] [-4.88926477e-05 -3.61197594e-04 1.61205086e-04] [-2.24951342e-04 -2.24898100e-04 3.60936550e-04] [ 2.24951341e-04 -2.24898102e-04 3.60936550e-04] [-2.24951342e-04 2.24898100e-04 -3.60936550e-04] [ 2.24951341e-04 2.24898101e-04 -3.60936550e-04] [ 4.20943662e-14 3.47772170e-04 1.37665881e-04] [ 6.32857482e-14 2.49797170e-04 -4.59992547e-04] [ 6.41141654e-13 -2.49797171e-04 4.59992546e-04] [ 1.15037754e-12 -3.47772169e-04 -1.37665882e-04] [ 4.88926482e-05 3.61197594e-04 -1.61205086e-04] [ 4.88926494e-05 -3.61197593e-04 1.61205088e-04] [-4.88926478e-05 3.61197593e-04 -1.61205086e-04] [-4.88926483e-05 -3.61197593e-04 1.61205086e-04] [-2.24951342e-04 -2.24898101e-04 3.60936551e-04] [ 2.24951342e-04 -2.24898101e-04 3.60936549e-04] [-2.24951341e-04 2.24898100e-04 -3.60936549e-04] [ 2.24951341e-04 2.24898101e-04 -3.60936550e-04]] Final stress: [-1.08095733e-05 -1.08049355e-05 1.44817709e-05 1.04779126e-05 -1.19704859e-16 -2.74323636e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 3.38964757e-05 -1.71621831e-13 -3.62166894e-14] [-3.38964760e-05 -5.97299987e-14 -1.47659662e-13] [ 1.97983990e-14 3.44097071e-05 1.39672299e-04] [-1.07608367e-13 -3.44097075e-05 -1.39672299e-04] [-1.07124812e-13 1.39343607e-04 -4.04057073e-04] [ 2.92821323e-14 -1.39343607e-04 4.04057072e-04] [ 3.38964748e-05 1.15697816e-13 4.44840502e-14] [-3.38964753e-05 2.17270212e-13 1.76892986e-13] [ 1.61888732e-13 3.44097075e-05 1.39672299e-04] [ 5.55510499e-14 -3.44097064e-05 -1.39672299e-04] [ 8.27150848e-14 1.39343607e-04 -4.04057072e-04] [-1.57738406e-14 -1.39343607e-04 4.04057072e-04] [-3.41092389e-04 -1.48398233e-04 4.93290512e-05] [-3.98501162e-05 1.52413080e-04 4.47936159e-05] [-3.98501164e-05 -1.52413080e-04 -4.47936163e-05] [-3.41092389e-04 1.48398233e-04 -4.93290512e-05] [ 3.98501162e-05 -1.52413080e-04 -4.47936161e-05] [ 3.41092389e-04 1.48398233e-04 -4.93290514e-05] [ 3.98501158e-05 1.52413080e-04 4.47936157e-05] [ 3.41092388e-04 -1.48398232e-04 4.93290514e-05] [-3.41092389e-04 -1.48398233e-04 4.93290508e-05] [-3.98501162e-05 1.52413080e-04 4.47936158e-05] [-3.98501161e-05 -1.52413080e-04 -4.47936159e-05] [-3.41092388e-04 1.48398233e-04 -4.93290511e-05] [ 3.98501160e-05 -1.52413080e-04 -4.47936158e-05] [ 3.41092388e-04 1.48398233e-04 -4.93290513e-05] [ 3.98501157e-05 1.52413080e-04 4.47936160e-05] [ 3.41092389e-04 -1.48398233e-04 4.93290508e-05] [ 2.98205904e-13 3.93018951e-13 6.66772193e-13] [ 6.99350300e-13 -8.90982445e-13 3.76334034e-13] [ 6.06181771e-14 -5.26736564e-04 -2.36405358e-04] [ 5.38950828e-13 -1.04703443e-04 3.95375624e-04] [ 1.74093379e-13 1.04703440e-04 -3.95375626e-04] [-5.02809600e-13 5.26736566e-04 2.36405356e-04] [-2.11134378e-04 -3.14516412e-04 7.94785389e-05] [-2.11134380e-04 3.14516410e-04 -7.94785403e-05] [ 2.11134377e-04 -3.14516412e-04 7.94785379e-05] [ 2.11134379e-04 3.14516411e-04 -7.94785393e-05] [-2.59399033e-04 -2.59287557e-04 -3.14208193e-04] [ 2.59399033e-04 -2.59287557e-04 -3.14208193e-04] [-2.59399033e-04 2.59287557e-04 3.14208192e-04] [ 2.59399033e-04 2.59287557e-04 3.14208192e-04] [ 2.11393836e-13 -5.26736566e-04 -2.36405356e-04] [ 2.94737759e-13 -1.04703440e-04 3.95375626e-04] [ 5.43331439e-13 1.04703442e-04 -3.95375625e-04] [ 1.69758305e-13 5.26736565e-04 2.36405358e-04] [-2.11134379e-04 -3.14516411e-04 7.94785394e-05] [-2.11134378e-04 3.14516411e-04 -7.94785383e-05] [ 2.11134379e-04 -3.14516412e-04 7.94785396e-05] [ 2.11134377e-04 3.14516412e-04 -7.94785377e-05] [-2.59399033e-04 -2.59287557e-04 -3.14208191e-04] [ 2.59399034e-04 -2.59287556e-04 -3.14208192e-04] [-2.59399033e-04 2.59287557e-04 3.14208193e-04] [ 2.59399033e-04 2.59287557e-04 3.14208193e-04]] Final stress: [-9.84327425e-06 -9.83918620e-06 1.38248488e-05 -8.67962424e-06 -1.66256749e-17 -2.99262149e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.40883495e-05 -6.12795405e-14 -5.01034056e-05] [-2.40883499e-05 -1.11022302e-16 5.01034058e-05] [ 8.05813749e-14 2.35682322e-05 -5.76895302e-14] [-1.68781655e-13 -2.35682320e-05 -5.38735723e-14] [-5.04133148e-05 -1.00243598e-13 4.54018841e-04] [ 5.04133147e-05 -1.13603571e-13 -4.54018841e-04] [ 2.40883489e-05 -6.41418342e-14 -5.01034059e-05] [-2.40883502e-05 8.05349711e-14 5.01034055e-05] [ 5.88140647e-14 2.35682321e-05 -1.46661790e-14] [-3.02219187e-14 -2.35682319e-05 2.43569212e-14] [-5.04133147e-05 6.94353646e-14 4.54018841e-04] [ 5.04133146e-05 9.10001682e-14 -4.54018842e-04] [ 1.36415530e-04 4.11712324e-04 -7.76834705e-05] [-1.51023056e-04 1.24735575e-04 -6.34150243e-05] [-1.36415530e-04 4.11712324e-04 7.76834702e-05] [ 1.51023055e-04 1.24735575e-04 6.34150245e-05] [ 1.51023056e-04 -1.24735575e-04 6.34150245e-05] [-1.36415530e-04 -4.11712324e-04 7.76834702e-05] [ 1.36415530e-04 -4.11712324e-04 -7.76834703e-05] [-1.51023056e-04 -1.24735575e-04 -6.34150242e-05] [ 1.36415530e-04 4.11712324e-04 -7.76834702e-05] [-1.51023056e-04 1.24735575e-04 -6.34150245e-05] [-1.36415530e-04 4.11712324e-04 7.76834702e-05] [ 1.51023055e-04 1.24735575e-04 6.34150244e-05] [ 1.51023055e-04 -1.24735575e-04 6.34150243e-05] [-1.36415530e-04 -4.11712324e-04 7.76834703e-05] [ 1.36415530e-04 -4.11712324e-04 -7.76834703e-05] [-1.51023056e-04 -1.24735575e-04 -6.34150247e-05] [ 6.35907993e-13 -7.70078445e-13 3.66623398e-13] [ 1.14164581e-12 -4.77958635e-14 6.39488563e-13] [ 2.84180071e-04 -1.28159840e-05 1.07251688e-04] [ 2.84180070e-04 1.28159839e-05 1.07251688e-04] [-2.84180069e-04 -1.28159845e-05 -1.07251688e-04] [-2.84180070e-04 1.28159841e-05 -1.07251688e-04] [ 3.23870432e-04 -2.22155627e-13 4.43865711e-04] [-3.49271841e-04 -6.28816443e-13 2.29291393e-04] [ 3.49271841e-04 2.40718903e-13 -2.29291393e-04] [-3.23870431e-04 1.59079347e-13 -4.43865713e-04] [ 2.28596228e-04 2.28515750e-04 2.84496591e-04] [-2.28596228e-04 2.28515750e-04 -2.84496591e-04] [ 2.28596228e-04 -2.28515750e-04 2.84496591e-04] [-2.28596228e-04 -2.28515749e-04 -2.84496591e-04] [ 2.84180070e-04 -1.28159848e-05 1.07251689e-04] [ 2.84180070e-04 1.28159848e-05 1.07251689e-04] [-2.84180070e-04 -1.28159846e-05 -1.07251689e-04] [-2.84180070e-04 1.28159843e-05 -1.07251688e-04] [ 3.23870432e-04 -1.76262205e-14 4.43865711e-04] [-3.49271841e-04 1.07250797e-13 2.29291394e-04] [ 3.49271840e-04 1.59666117e-13 -2.29291394e-04] [-3.23870432e-04 -2.99005612e-14 -4.43865712e-04] [ 2.28596227e-04 2.28515751e-04 2.84496591e-04] [-2.28596227e-04 2.28515750e-04 -2.84496591e-04] [ 2.28596226e-04 -2.28515751e-04 2.84496591e-04] [-2.28596228e-04 -2.28515749e-04 -2.84496591e-04]] Final stress: [ 1.05229441e-05 1.05180199e-05 -1.44372107e-05 -4.98748098e-17 9.57745033e-06 7.81372021e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 1.96319349e-05 7.92400000e-14 7.11415647e-05] [-1.96319349e-05 -1.37223566e-13 -7.11415646e-05] [-1.77239733e-13 1.91164712e-05 -4.59970603e-14] [-1.08635323e-13 -1.91164716e-05 3.61377595e-14] [ 7.14641917e-05 5.70932190e-14 4.46737571e-04] [-7.14641918e-05 2.28705943e-14 -4.46737570e-04] [ 1.96319346e-05 -9.94876924e-14 7.11415643e-05] [-1.96319339e-05 -8.87311058e-15 -7.11415643e-05] [ 1.96211970e-13 1.91164717e-05 1.78222087e-13] [ 7.78990587e-14 -1.91164713e-05 2.29499281e-13] [ 7.14641918e-05 -7.35547779e-14 4.46737571e-04] [-7.14641919e-05 -9.49557930e-15 -4.46737571e-04] [ 1.46507678e-04 -1.10026016e-04 -6.55654282e-05] [-1.41236894e-04 -3.97321939e-04 -7.04564684e-05] [-1.46507678e-04 -1.10026016e-04 6.55654280e-05] [ 1.41236894e-04 -3.97321939e-04 7.04564680e-05] [ 1.41236895e-04 3.97321940e-04 7.04564678e-05] [-1.46507678e-04 1.10026017e-04 6.55654283e-05] [ 1.46507678e-04 1.10026016e-04 -6.55654282e-05] [-1.41236894e-04 3.97321939e-04 -7.04564681e-05] [ 1.46507678e-04 -1.10026016e-04 -6.55654285e-05] [-1.41236894e-04 -3.97321940e-04 -7.04564686e-05] [-1.46507677e-04 -1.10026016e-04 6.55654284e-05] [ 1.41236895e-04 -3.97321939e-04 7.04564681e-05] [ 1.41236895e-04 3.97321939e-04 7.04564682e-05] [-1.46507678e-04 1.10026016e-04 6.55654283e-05] [ 1.46507678e-04 1.10026016e-04 -6.55654282e-05] [-1.41236894e-04 3.97321939e-04 -7.04564686e-05] [-7.43932693e-13 3.42448292e-13 2.03670414e-13] [-7.96001286e-13 -6.46321285e-13 1.81311192e-13] [-2.82319704e-04 2.44761426e-05 7.34909947e-05] [-2.82319705e-04 -2.44761429e-05 7.34909946e-05] [ 2.82319704e-04 2.44761434e-05 -7.34909941e-05] [ 2.82319704e-04 -2.44761441e-05 -7.34909935e-05] [-3.12233387e-04 -8.93951579e-13 -2.63290149e-04] [ 3.61421455e-04 -2.61344765e-13 -4.10333337e-04] [-3.61421456e-04 1.63499422e-13 4.10333337e-04] [ 3.12233387e-04 -3.67246164e-13 2.63290148e-04] [ 2.33335132e-04 2.33247228e-04 -2.82640651e-04] [-2.33335133e-04 2.33247227e-04 2.82640651e-04] [ 2.33335132e-04 -2.33247228e-04 -2.82640651e-04] [-2.33335131e-04 -2.33247228e-04 2.82640651e-04] [-2.82319704e-04 2.44761427e-05 7.34909939e-05] [-2.82319704e-04 -2.44761422e-05 7.34909947e-05] [ 2.82319704e-04 2.44761432e-05 -7.34909936e-05] [ 2.82319705e-04 -2.44761427e-05 -7.34909945e-05] [-3.12233386e-04 4.90351010e-13 -2.63290149e-04] [ 3.61421456e-04 3.80268733e-13 -4.10333337e-04] [-3.61421457e-04 3.22439558e-13 4.10333337e-04] [ 3.12233388e-04 3.09930033e-14 2.63290148e-04] [ 2.33335132e-04 2.33247228e-04 -2.82640652e-04] [-2.33335132e-04 2.33247229e-04 2.82640651e-04] [ 2.33335132e-04 -2.33247228e-04 -2.82640652e-04] [-2.33335132e-04 -2.33247228e-04 2.82640651e-04]] Final stress: [ 1.03854272e-05 1.03805868e-05 -1.43561273e-05 -0.00000000e+00 -9.35686548e-06 -8.31246831e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.33528864e-06 3.31245448e-14 -1.24925223e-04] [ 2.33528743e-06 6.35880237e-14 1.24925223e-04] [-1.44996862e-14 -2.83812963e-06 4.61193583e-14] [-7.01938507e-14 2.83812989e-06 1.49741330e-13] [-1.24589563e-04 1.65230676e-13 -4.24522856e-04] [ 1.24589563e-04 1.97064587e-15 4.24522855e-04] [-2.33528770e-06 -4.51930160e-14 -1.24925223e-04] [ 2.33528785e-06 -2.79182059e-14 1.24925223e-04] [ 9.47679435e-14 -2.83812960e-06 4.44578507e-15] [-1.95000266e-14 2.83812975e-06 -6.52817116e-14] [-1.24589563e-04 -8.14762784e-14 -4.24522856e-04] [ 1.24589563e-04 1.97477372e-14 4.24522856e-04] [-1.42820775e-04 6.28544368e-05 6.09106943e-05] [ 1.53510797e-04 3.59605939e-04 5.07004083e-05] [ 1.42820775e-04 6.28544366e-05 -6.09106939e-05] [-1.53510797e-04 3.59605939e-04 -5.07004084e-05] [-1.53510797e-04 -3.59605938e-04 -5.07004084e-05] [ 1.42820775e-04 -6.28544367e-05 -6.09106938e-05] [-1.42820775e-04 -6.28544369e-05 6.09106942e-05] [ 1.53510797e-04 -3.59605939e-04 5.07004085e-05] [-1.42820775e-04 6.28544364e-05 6.09106939e-05] [ 1.53510797e-04 3.59605939e-04 5.07004088e-05] [ 1.42820775e-04 6.28544370e-05 -6.09106942e-05] [-1.53510797e-04 3.59605938e-04 -5.07004085e-05] [-1.53510797e-04 -3.59605939e-04 -5.07004086e-05] [ 1.42820775e-04 -6.28544372e-05 -6.09106941e-05] [-1.42820775e-04 -6.28544364e-05 6.09106939e-05] [ 1.53510797e-04 -3.59605939e-04 5.07004089e-05] [ 1.14633303e-12 -3.71369602e-14 9.38749078e-13] [-3.53428224e-13 -3.09328414e-13 5.01192307e-14] [ 2.86519519e-04 -1.45067264e-04 2.72702622e-05] [ 2.86519519e-04 1.45067264e-04 2.72702629e-05] [-2.86519519e-04 -1.45067265e-04 -2.72702637e-05] [-2.86519519e-04 1.45067265e-04 -2.72702637e-05] [ 1.84621835e-04 8.79296636e-14 3.56954756e-04] [-4.74518232e-04 2.12829754e-13 3.02389053e-04] [ 4.74518231e-04 1.39761466e-13 -3.02389055e-04] [-1.84621835e-04 1.34978834e-13 -3.56954755e-04] [-2.50680954e-04 -2.50787675e-04 2.86201360e-04] [ 2.50680956e-04 -2.50787674e-04 -2.86201360e-04] [-2.50680955e-04 2.50787675e-04 2.86201359e-04] [ 2.50680955e-04 2.50787675e-04 -2.86201360e-04] [ 2.86519520e-04 -1.45067267e-04 2.72702660e-05] [ 2.86519519e-04 1.45067267e-04 2.72702658e-05] [-2.86519519e-04 -1.45067267e-04 -2.72702657e-05] [-2.86519519e-04 1.45067266e-04 -2.72702657e-05] [ 1.84621837e-04 -7.18705768e-14 3.56954754e-04] [-4.74518229e-04 -5.82219169e-13 3.02389056e-04] [ 4.74518229e-04 3.78267296e-13 -3.02389056e-04] [-1.84621839e-04 4.25865940e-14 -3.56954752e-04] [-2.50680957e-04 -2.50787673e-04 2.86201360e-04] [ 2.50680958e-04 -2.50787672e-04 -2.86201359e-04] [-2.50680958e-04 2.50787672e-04 2.86201360e-04] [ 2.50680958e-04 2.50787672e-04 -2.86201359e-04]] Final stress: [-1.01046182e-05 -1.01089490e-05 1.38546937e-05 2.32759449e-17 8.81687981e-06 1.34667967e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-1.83138362e-05 -2.15895444e-13 -2.14979195e-05] [ 1.83138358e-05 -1.56263891e-14 2.14979197e-05] [-1.05592618e-14 -1.88557874e-05 -1.32882420e-13] [-2.26624275e-13 1.88557866e-05 7.26085858e-14] [-2.17299637e-05 -9.29829130e-14 -4.69965150e-04] [ 2.17299637e-05 -6.82232049e-14 4.69965149e-04] [-1.83138361e-05 1.51614832e-13 -2.14979197e-05] [ 1.83138357e-05 8.88612101e-15 2.14979194e-05] [-1.54581209e-14 -1.88557873e-05 1.91247715e-13] [ 1.14983110e-13 1.88557875e-05 2.11885465e-14] [-2.17299640e-05 -5.66565701e-14 -4.69965149e-04] [ 2.17299639e-05 1.28472497e-13 4.69965150e-04] [-1.15209836e-04 -4.55580631e-04 1.03125110e-04] [ 1.80931233e-04 -1.58918670e-04 3.72005569e-05] [ 1.15209836e-04 -4.55580631e-04 -1.03125110e-04] [-1.80931234e-04 -1.58918670e-04 -3.72005572e-05] [-1.80931233e-04 1.58918670e-04 -3.72005570e-05] [ 1.15209837e-04 4.55580631e-04 -1.03125111e-04] [-1.15209836e-04 4.55580631e-04 1.03125110e-04] [ 1.80931233e-04 1.58918670e-04 3.72005573e-05] [-1.15209836e-04 -4.55580631e-04 1.03125110e-04] [ 1.80931233e-04 -1.58918670e-04 3.72005570e-05] [ 1.15209836e-04 -4.55580630e-04 -1.03125110e-04] [-1.80931234e-04 -1.58918670e-04 -3.72005573e-05] [-1.80931234e-04 1.58918670e-04 -3.72005573e-05] [ 1.15209836e-04 4.55580631e-04 -1.03125110e-04] [-1.15209836e-04 4.55580631e-04 1.03125110e-04] [ 1.80931234e-04 1.58918670e-04 3.72005568e-05] [ 5.46784840e-13 3.89716037e-13 1.17131305e-12] [ 2.91087033e-13 9.52786847e-15 -6.19066787e-13] [-3.14799310e-04 9.58603820e-05 -1.92367300e-04] [-3.14799309e-04 -9.58603824e-05 -1.92367301e-04] [ 3.14799310e-04 9.58603814e-05 1.92367300e-04] [ 3.14799310e-04 -9.58603833e-05 1.92367302e-04] [-2.24742578e-04 -1.97619698e-14 -5.12995092e-04] [ 4.16661211e-04 1.33122680e-13 -1.28348041e-04] [-4.16661211e-04 -9.97710595e-13 1.28348042e-04] [ 2.24742579e-04 -2.12805468e-13 5.12995091e-04] [-2.18869085e-04 -2.18924337e-04 -3.14517036e-04] [ 2.18869086e-04 -2.18924337e-04 3.14517037e-04] [-2.18869086e-04 2.18924336e-04 -3.14517036e-04] [ 2.18869086e-04 2.18924337e-04 3.14517036e-04] [-3.14799309e-04 9.58603836e-05 -1.92367302e-04] [-3.14799309e-04 -9.58603839e-05 -1.92367303e-04] [ 3.14799309e-04 9.58603843e-05 1.92367303e-04] [ 3.14799309e-04 -9.58603836e-05 1.92367302e-04] [-2.24742581e-04 5.42060322e-13 -5.12995089e-04] [ 4.16661210e-04 -1.01335390e-13 -1.28348042e-04] [-4.16661210e-04 1.30278644e-12 1.28348042e-04] [ 2.24742581e-04 4.31165954e-13 5.12995089e-04] [-2.18869085e-04 -2.18924337e-04 -3.14517037e-04] [ 2.18869084e-04 -2.18924338e-04 3.14517037e-04] [-2.18869084e-04 2.18924339e-04 -3.14517036e-04] [ 2.18869084e-04 2.18924339e-04 3.14517037e-04]] Final stress: [-1.10070859e-05 -1.10119250e-05 1.44118682e-05 -4.72169168e-16 -1.03629715e-05 -1.42980804e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.06061064e-04 4.08327511e-06 -1.31493341e-13] [ 2.06061063e-04 -4.08327520e-06 -2.04586348e-13] [ 4.08327506e-06 -2.06061062e-04 -1.30279468e-13] [-4.08327493e-06 2.06061063e-04 -3.26433325e-13] [ 2.66796134e-13 -7.95526839e-14 3.70577616e-04] [ 3.66068287e-13 -3.23630012e-14 -3.70577617e-04] [-2.06061063e-04 4.08327536e-06 2.10193921e-13] [ 2.06061062e-04 -4.08327489e-06 -3.71289033e-14] [ 4.08327520e-06 -2.06061063e-04 7.70780673e-14] [-4.08327511e-06 2.06061063e-04 6.32565558e-14] [-2.77591752e-13 6.45238115e-14 3.70577615e-04] [-2.07863241e-15 -6.74104707e-14 -3.70577617e-04] [ 5.80241631e-05 5.80241632e-05 1.99846731e-04] [-5.80241635e-05 -5.80241633e-05 1.99846731e-04] [-2.58538352e-04 2.58538352e-04 2.52376949e-04] [ 2.58538352e-04 -2.58538352e-04 2.52376949e-04] [ 5.80241634e-05 5.80241631e-05 -1.99846731e-04] [-5.80241638e-05 -5.80241636e-05 -1.99846732e-04] [ 2.58538352e-04 -2.58538352e-04 -2.52376949e-04] [-2.58538352e-04 2.58538352e-04 -2.52376949e-04] [ 5.80241631e-05 5.80241633e-05 1.99846732e-04] [-5.80241636e-05 -5.80241636e-05 1.99846731e-04] [-2.58538352e-04 2.58538352e-04 2.52376949e-04] [ 2.58538351e-04 -2.58538351e-04 2.52376949e-04] [ 5.80241627e-05 5.80241631e-05 -1.99846732e-04] [-5.80241636e-05 -5.80241636e-05 -1.99846731e-04] [ 2.58538351e-04 -2.58538351e-04 -2.52376949e-04] [-2.58538352e-04 2.58538352e-04 -2.52376948e-04] [ 1.80588877e-12 -6.13370466e-13 2.80386825e-13] [ 1.01881524e-12 3.94783003e-13 9.19464870e-13] [ 5.10407352e-04 1.71176699e-04 -6.81923300e-06] [-5.10407355e-04 -1.71176699e-04 -6.81923161e-06] [ 5.10407354e-04 1.71176701e-04 6.81923423e-06] [-5.10407353e-04 -1.71176700e-04 6.81923236e-06] [ 1.71176696e-04 5.10407354e-04 -6.81922848e-06] [ 1.71176697e-04 5.10407354e-04 6.81922938e-06] [-1.71176696e-04 -5.10407353e-04 -6.81922909e-06] [-1.71176697e-04 -5.10407353e-04 6.81923012e-06] [ 4.78909975e-04 4.78909979e-04 2.03759232e-12] [-2.18359641e-05 2.18359623e-05 4.04462921e-13] [ 2.18359645e-05 -2.18359635e-05 1.86120216e-12] [-4.78909979e-04 -4.78909974e-04 3.54067470e-13] [ 5.10407355e-04 1.71176697e-04 -6.81922981e-06] [-5.10407352e-04 -1.71176699e-04 -6.81923173e-06] [ 5.10407354e-04 1.71176696e-04 6.81922849e-06] [-5.10407352e-04 -1.71176697e-04 6.81923021e-06] [ 1.71176700e-04 5.10407353e-04 -6.81923280e-06] [ 1.71176700e-04 5.10407353e-04 6.81923337e-06] [-1.71176700e-04 -5.10407355e-04 -6.81923249e-06] [-1.71176696e-04 -5.10407355e-04 6.81922929e-06] [ 4.78909975e-04 4.78909978e-04 -1.90700616e-14] [-2.18359616e-05 2.18359654e-05 -6.76081370e-14] [ 2.18359610e-05 -2.18359655e-05 -7.75516078e-13] [-4.78909974e-04 -4.78909979e-04 -1.17058706e-13]] Final stress: [ 9.70094241e-06 9.70094240e-06 -1.47913968e-05 2.34411606e-16 -3.65748605e-17 1.03018601e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.74638358e-04 -2.54961840e-05 -3.97264686e-13] [ 2.74638357e-04 2.54961838e-05 9.34807787e-14] [-2.54961839e-05 -2.74638357e-04 -9.40801256e-14] [ 2.54961842e-05 2.74638358e-04 -1.48769885e-14] [ 1.83585352e-13 -2.16774515e-13 3.45901640e-04] [ 3.86357613e-14 -2.55906407e-13 -3.45901640e-04] [-2.74638358e-04 -2.54961839e-05 2.88531904e-13] [ 2.74638358e-04 2.54961842e-05 3.20646836e-14] [-2.54961839e-05 -2.74638357e-04 1.86381873e-13] [ 2.54961840e-05 2.74638358e-04 -9.62151439e-14] [-1.83278306e-13 1.29924174e-13 3.45901640e-04] [ 1.18753965e-13 1.72941001e-13 -3.45901640e-04] [ 2.91660775e-04 2.91660775e-04 -2.29058824e-04] [-2.91660775e-04 -2.91660774e-04 -2.29058824e-04] [-3.28848366e-05 3.28848370e-05 -2.02622311e-04] [ 3.28848368e-05 -3.28848373e-05 -2.02622311e-04] [ 2.91660774e-04 2.91660775e-04 2.29058823e-04] [-2.91660774e-04 -2.91660775e-04 2.29058823e-04] [ 3.28848368e-05 -3.28848373e-05 2.02622311e-04] [-3.28848369e-05 3.28848368e-05 2.02622311e-04] [ 2.91660774e-04 2.91660775e-04 -2.29058824e-04] [-2.91660775e-04 -2.91660775e-04 -2.29058823e-04] [-3.28848373e-05 3.28848370e-05 -2.02622311e-04] [ 3.28848362e-05 -3.28848365e-05 -2.02622311e-04] [ 2.91660774e-04 2.91660775e-04 2.29058824e-04] [-2.91660775e-04 -2.91660775e-04 2.29058824e-04] [ 3.28848366e-05 -3.28848365e-05 2.02622311e-04] [-3.28848372e-05 3.28848374e-05 2.02622312e-04] [ 1.27603483e-12 -6.92973456e-13 -5.41205969e-13] [-2.65763540e-13 -5.36544071e-13 -2.42025440e-13] [-5.78392008e-04 2.19140614e-04 -3.47844875e-05] [ 5.78392008e-04 -2.19140613e-04 -3.47844862e-05] [-5.78392008e-04 2.19140615e-04 3.47844886e-05] [ 5.78392008e-04 -2.19140613e-04 3.47844864e-05] [ 2.19140613e-04 -5.78392008e-04 -3.47844868e-05] [ 2.19140614e-04 -5.78392008e-04 3.47844874e-05] [-2.19140614e-04 5.78392007e-04 -3.47844876e-05] [-2.19140616e-04 5.78392008e-04 3.47844898e-05] [ 6.02926155e-05 6.02926187e-05 1.69875225e-12] [-4.50431576e-04 4.50431579e-04 4.55859309e-13] [ 4.50431578e-04 -4.50431578e-04 4.82593132e-13] [-6.02926175e-05 -6.02926174e-05 2.41726777e-13] [-5.78392007e-04 2.19140615e-04 -3.47844881e-05] [ 5.78392009e-04 -2.19140617e-04 -3.47844901e-05] [-5.78392008e-04 2.19140614e-04 3.47844876e-05] [ 5.78392008e-04 -2.19140613e-04 3.47844876e-05] [ 2.19140614e-04 -5.78392009e-04 -3.47844869e-05] [ 2.19140613e-04 -5.78392009e-04 3.47844861e-05] [-2.19140614e-04 5.78392007e-04 -3.47844875e-05] [-2.19140613e-04 5.78392007e-04 3.47844866e-05] [ 6.02926181e-05 6.02926165e-05 -5.40387298e-13] [-4.50431578e-04 4.50431578e-04 -4.51890722e-15] [ 4.50431578e-04 -4.50431577e-04 -5.83848501e-13] [-6.02926164e-05 -6.02926183e-05 -1.08379885e-13]] Final stress: [ 9.47421004e-06 9.47421004e-06 -1.48687939e-05 5.15373035e-17 -2.87611403e-16 -1.05693505e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-4.21891281e-05 3.89521076e-05 1.65362515e-15] [ 4.21891284e-05 -3.89521078e-05 4.19664303e-14] [ 3.89521076e-05 -4.21891285e-05 1.34705615e-14] [-3.89521073e-05 4.21891278e-05 5.70099523e-14] [ 9.54167301e-14 1.69349777e-13 -4.84248783e-04] [-7.40518757e-14 1.85684801e-13 4.84248783e-04] [-4.21891284e-05 3.89521076e-05 4.90395836e-14] [ 4.21891280e-05 -3.89521075e-05 2.83354082e-14] [ 3.89521075e-05 -4.21891276e-05 -2.38747835e-15] [-3.89521078e-05 4.21891285e-05 -1.15379776e-13] [ 1.37030144e-14 -2.28432109e-13 -4.84248783e-04] [ 6.27262998e-14 -1.80692424e-13 4.84248783e-04] [-1.76790585e-04 -1.76790585e-04 4.00039950e-04] [ 1.76790585e-04 1.76790585e-04 4.00039950e-04] [ 1.16199226e-04 -1.16199226e-04 2.48529050e-04] [-1.16199226e-04 1.16199226e-04 2.48529050e-04] [-1.76790585e-04 -1.76790585e-04 -4.00039950e-04] [ 1.76790586e-04 1.76790585e-04 -4.00039950e-04] [-1.16199226e-04 1.16199226e-04 -2.48529050e-04] [ 1.16199225e-04 -1.16199225e-04 -2.48529050e-04] [-1.76790585e-04 -1.76790585e-04 4.00039950e-04] [ 1.76790585e-04 1.76790585e-04 4.00039950e-04] [ 1.16199226e-04 -1.16199226e-04 2.48529050e-04] [-1.16199226e-04 1.16199226e-04 2.48529050e-04] [-1.76790586e-04 -1.76790585e-04 -4.00039950e-04] [ 1.76790585e-04 1.76790585e-04 -4.00039950e-04] [-1.16199226e-04 1.16199226e-04 -2.48529050e-04] [ 1.16199226e-04 -1.16199226e-04 -2.48529050e-04] [-9.71445147e-16 1.11516352e-12 1.67754699e-13] [-7.48658947e-14 -9.94960000e-13 -2.44076430e-13] [ 2.98564605e-04 1.39507461e-04 -2.25850720e-04] [-2.98564604e-04 -1.39507462e-04 -2.25850720e-04] [ 2.98564605e-04 1.39507461e-04 2.25850720e-04] [-2.98564604e-04 -1.39507461e-04 2.25850720e-04] [ 1.39507462e-04 2.98564603e-04 -2.25850721e-04] [ 1.39507462e-04 2.98564603e-04 2.25850721e-04] [-1.39507460e-04 -2.98564604e-04 -2.25850719e-04] [-1.39507460e-04 -2.98564604e-04 2.25850719e-04] [ 1.16586101e-04 1.16586102e-04 6.77458090e-13] [ 5.41429336e-04 -5.41429334e-04 4.95053651e-13] [-5.41429336e-04 5.41429335e-04 2.38283351e-13] [-1.16586101e-04 -1.16586102e-04 1.90103142e-13] [ 2.98564603e-04 1.39507462e-04 -2.25850720e-04] [-2.98564605e-04 -1.39507462e-04 -2.25850721e-04] [ 2.98564603e-04 1.39507461e-04 2.25850720e-04] [-2.98564605e-04 -1.39507461e-04 2.25850720e-04] [ 1.39507461e-04 2.98564604e-04 -2.25850719e-04] [ 1.39507461e-04 2.98564604e-04 2.25850719e-04] [-1.39507461e-04 -2.98564604e-04 -2.25850720e-04] [-1.39507461e-04 -2.98564604e-04 2.25850720e-04] [ 1.16586101e-04 1.16586102e-04 3.49398259e-13] [ 5.41429335e-04 -5.41429336e-04 5.24307001e-13] [-5.41429336e-04 5.41429334e-04 1.90799789e-13] [-1.16586103e-04 -1.16586100e-04 2.87177400e-13]] Final stress: [-1.11957196e-05 -1.11957196e-05 1.44100602e-05 -8.47909421e-17 1.97845532e-16 1.05174936e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[ 2.15339200e-04 1.24661747e-04 -1.47792369e-13] [-2.15339202e-04 -1.24661747e-04 3.93574062e-14] [ 1.24661747e-04 2.15339202e-04 -1.67662759e-13] [-1.24661747e-04 -2.15339201e-04 1.67504899e-13] [ 3.15720974e-13 6.94986603e-14 -3.26193954e-04] [ 2.00173211e-13 -1.50796042e-13 3.26193954e-04] [ 2.15339201e-04 1.24661747e-04 1.76302051e-13] [-2.15339200e-04 -1.24661747e-04 6.74822793e-14] [ 1.24661747e-04 2.15339201e-04 2.65157950e-13] [-1.24661747e-04 -2.15339200e-04 -1.29502459e-13] [-1.71956633e-13 -1.33340953e-13 -3.26193954e-04] [-9.44288051e-14 2.94728419e-13 3.26193953e-04] [-9.77291518e-05 -9.77291517e-05 -1.31404781e-04] [ 9.77291520e-05 9.77291520e-05 -1.31404781e-04] [ 2.25705334e-04 -2.25705335e-04 -1.52101134e-04] [-2.25705334e-04 2.25705335e-04 -1.52101135e-04] [-9.77291519e-05 -9.77291514e-05 1.31404781e-04] [ 9.77291521e-05 9.77291522e-05 1.31404781e-04] [-2.25705334e-04 2.25705334e-04 1.52101134e-04] [ 2.25705334e-04 -2.25705335e-04 1.52101134e-04] [-9.77291518e-05 -9.77291521e-05 -1.31404782e-04] [ 9.77291516e-05 9.77291519e-05 -1.31404781e-04] [ 2.25705334e-04 -2.25705334e-04 -1.52101134e-04] [-2.25705335e-04 2.25705335e-04 -1.52101134e-04] [-9.77291517e-05 -9.77291524e-05 1.31404781e-04] [ 9.77291514e-05 9.77291517e-05 1.31404781e-04] [-2.25705335e-04 2.25705335e-04 1.52101134e-04] [ 2.25705334e-04 -2.25705334e-04 1.52101134e-04] [ 1.82429072e-12 -5.84726711e-13 3.98264755e-13] [-6.14207903e-13 -4.63901939e-13 6.59206150e-13] [-4.77112048e-04 -3.99638346e-04 2.09251954e-04] [ 4.77112046e-04 3.99638347e-04 2.09251956e-04] [-4.77112047e-04 -3.99638348e-04 -2.09251956e-04] [ 4.77112046e-04 3.99638350e-04 -2.09251958e-04] [-3.99638347e-04 -4.77112045e-04 2.09251956e-04] [-3.99638351e-04 -4.77112044e-04 -2.09251959e-04] [ 3.99638346e-04 4.77112045e-04 2.09251954e-04] [ 3.99638349e-04 4.77112046e-04 -2.09251956e-04] [-5.21763372e-04 -5.21763367e-04 -2.68896017e-13] [ 4.51901550e-05 -4.51901524e-05 -5.02565004e-13] [-4.51901540e-05 4.51901523e-05 -9.66232303e-13] [ 5.21763369e-04 5.21763369e-04 -1.50157491e-12] [-4.77112044e-04 -3.99638350e-04 2.09251957e-04] [ 4.77112047e-04 3.99638348e-04 2.09251955e-04] [-4.77112045e-04 -3.99638347e-04 -2.09251954e-04] [ 4.77112046e-04 3.99638346e-04 -2.09251954e-04] [-3.99638350e-04 -4.77112047e-04 2.09251957e-04] [-3.99638347e-04 -4.77112048e-04 -2.09251955e-04] [ 3.99638351e-04 4.77112045e-04 2.09251958e-04] [ 3.99638349e-04 4.77112045e-04 -2.09251956e-04] [-5.21763369e-04 -5.21763370e-04 9.76519189e-13] [ 4.51901531e-05 -4.51901529e-05 1.34729568e-12] [-4.51901532e-05 4.51901540e-05 1.15171416e-12] [ 5.21763372e-04 5.21763365e-04 1.71177959e-12]] Final stress: [-9.02489282e-06 -9.02489283e-06 1.39955499e-05 -1.69581884e-16 8.31283746e-18 -8.91969907e-06] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.01,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[-34.22233 18.12889 18.12878 0. -0.00562 0.14181] [ 18.12889 -34.22233 18.12886 -0.08408 -0. -0.07261] [ 18.12878 18.12886 -34.22233 0.03304 -0.03423 0. ] [ 0. -0.08408 0.03304 0.23159 -0. -0. ] [ -0.00562 -0. -0.03423 -0. 0.23159 0. ] [ 0.14181 -0.07261 0. -0. 0. 0.23159]] 95%% Error estimate [ASE units]: [[110.68941 367.11757 367.11751 0. 0.52614 4.06596] [367.11757 110.68941 367.11751 6.23102 0. 0.83362] [367.11751 367.11751 110.68941 0.7045 0.71928 0. ] [ 0. 6.23102 0.7045 0. 0. 0. ] [ 0.52614 0. 0.71928 0. 0. 0. ] [ 4.06596 0.83362 0. 0. 0. 0.00003]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 183.558785 is too big compared to maximum elastic constant component 34.222330 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.141805 Unable to compute elastic constants with method energy-condensed, escalating to method stress-condensed Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Minimization converged after 0 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.12643596e-02 -5.05336078e-12 -5.88158103e-13] [ 7.12643596e-02 -4.07354706e-12 1.72711845e-12] [ 1.59657444e-12 -1.90788733e-02 -7.91793280e-13] [-9.07218745e-13 1.90788733e-02 2.79121171e-12] [ 1.32000444e-12 -9.63899533e-13 -1.90788733e-02] [-5.83810777e-13 -3.86068955e-12 1.90788733e-02] [-7.12643596e-02 -1.79376436e-12 -2.55888666e-13] [ 7.12643596e-02 -2.32338020e-13 -7.00805802e-14] [-3.41301206e-13 -1.90788733e-02 9.69592171e-14] [ 1.55313696e-13 1.90788733e-02 1.81593204e-12] [ 3.29324849e-12 9.28392901e-13 -1.90788733e-02] [ 4.09234972e-12 -2.74066915e-13 1.90788733e-02] [ 1.94254488e-02 -4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 -4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 -4.33112880e-02 4.33112880e-02] [-1.94254488e-02 4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 -4.33112880e-02 -4.33112880e-02] [ 1.94254488e-02 -4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 -4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 -4.33112880e-02 4.33112880e-02] [-1.94254488e-02 4.33112880e-02 4.33112880e-02] [ 1.94254488e-02 4.33112880e-02 -4.33112880e-02] [-1.94254488e-02 -4.33112880e-02 -4.33112880e-02] [ 5.83144644e-14 1.13875576e-12 -1.02065301e-11] [ 1.25303240e-12 1.39444173e-12 1.60757856e-12] [-1.92057481e-12 -1.85386367e-02 -1.85386367e-02] [ 2.47377466e-12 1.85386367e-02 -1.85386367e-02] [-1.69625772e-12 -1.85386367e-02 1.85386367e-02] [ 4.39204055e-12 1.85386367e-02 1.85386367e-02] [ 6.80198773e-02 4.72755168e-12 -4.15211129e-02] [ 6.80198773e-02 -2.45846919e-12 4.15211130e-02] [-6.80198773e-02 5.87337123e-12 -4.15211129e-02] [-6.80198773e-02 -2.58318510e-12 4.15211129e-02] [ 6.80198773e-02 -4.15211129e-02 -1.49673607e-11] [-6.80198773e-02 -4.15211129e-02 -1.25619862e-11] [ 6.80198773e-02 4.15211129e-02 -9.87556217e-12] [-6.80198773e-02 4.15211129e-02 -2.78559765e-12] [ 2.18335289e-12 -1.85386367e-02 -1.85386367e-02] [-3.95837920e-12 1.85386367e-02 -1.85386367e-02] [ 2.50388252e-13 -1.85386367e-02 1.85386367e-02] [-2.23758338e-12 1.85386367e-02 1.85386367e-02] [ 6.80198773e-02 2.87732590e-12 -4.15211129e-02] [ 6.80198773e-02 7.89965164e-12 4.15211129e-02] [-6.80198773e-02 9.13785757e-12 -4.15211129e-02] [-6.80198773e-02 7.21183920e-12 4.15211130e-02] [ 6.80198773e-02 -4.15211129e-02 -6.52957051e-12] [-6.80198773e-02 -4.15211129e-02 -4.85665970e-12] [ 6.80198773e-02 4.15211129e-02 -6.88516393e-12] [-6.80198773e-02 4.15211129e-02 -5.29844918e-12]] Final stress: [-7.95719114e-04 -7.13574888e-04 -7.13574888e-04 1.97860925e-15 -3.78429802e-15 2.39594615e-15] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.80858562e-02 -8.51687644e-13 -5.69746073e-13] [ 3.80858562e-02 -6.32965902e-13 4.54830618e-13] [-3.68357471e-13 -4.70518003e-02 -8.57940455e-13] [ 5.57776048e-13 4.70518003e-02 -4.51944038e-13] [-3.36783552e-14 -5.34915862e-13 -3.80858562e-02] [ 7.09654557e-13 -7.30415728e-13 3.80858562e-02] [-3.80858562e-02 -2.30899371e-12 3.04864231e-13] [ 3.80858562e-02 -1.19924470e-12 -6.57610622e-13] [-6.57616323e-14 -4.70518003e-02 -3.52489518e-13] [ 3.21421709e-13 4.70518003e-02 -7.12644923e-13] [ 5.18788571e-13 1.28226388e-13 -3.80858562e-02] [ 3.71053015e-14 -5.43664004e-13 3.80858562e-02] [-1.64573292e-02 2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 -2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 2.07814633e-02 1.64573292e-02] [-1.64573292e-02 -2.07814633e-02 1.64573292e-02] [-1.64573292e-02 2.07814633e-02 1.64573292e-02] [ 1.64573292e-02 -2.07814633e-02 1.64573292e-02] [-1.64573292e-02 -2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 2.07814633e-02 -1.64573292e-02] [-1.64573292e-02 2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 -2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 2.07814633e-02 1.64573292e-02] [-1.64573292e-02 -2.07814633e-02 1.64573292e-02] [-1.64573292e-02 2.07814633e-02 1.64573292e-02] [ 1.64573292e-02 -2.07814633e-02 1.64573292e-02] [-1.64573292e-02 -2.07814633e-02 -1.64573292e-02] [ 1.64573292e-02 2.07814633e-02 -1.64573292e-02] [-3.16843773e-12 6.26804164e-13 -2.97806224e-12] [ 2.29470522e-13 1.52319744e-12 -1.58250524e-12] [ 7.98805466e-13 4.39141924e-02 -1.95568248e-02] [ 8.20852067e-13 -4.39141924e-02 -1.95568248e-02] [-1.23293736e-13 4.39141924e-02 1.95568248e-02] [ 4.66332549e-13 -4.39141924e-02 1.95568248e-02] [-2.43198762e-02 3.05377945e-12 -2.43198762e-02] [-2.43198762e-02 1.35898584e-12 2.43198762e-02] [ 2.43198762e-02 2.43655443e-12 -2.43198762e-02] [ 2.43198762e-02 2.05761796e-12 2.43198762e-02] [-1.95568248e-02 4.39141924e-02 -3.46578322e-12] [ 1.95568248e-02 4.39141924e-02 -2.14980984e-12] [-1.95568248e-02 -4.39141924e-02 -1.01963230e-12] [ 1.95568248e-02 -4.39141924e-02 -9.13440424e-13] [ 9.63120209e-13 4.39141924e-02 -1.95568248e-02] [ 1.55023824e-12 -4.39141924e-02 -1.95568248e-02] [ 6.53628627e-13 4.39141924e-02 1.95568248e-02] [-6.50934168e-13 -4.39141924e-02 1.95568248e-02] [-2.43198762e-02 2.19320581e-12 -2.43198762e-02] [-2.43198762e-02 -2.48048110e-13 2.43198762e-02] [ 2.43198762e-02 2.52360372e-12 -2.43198762e-02] [ 2.43198762e-02 1.20456249e-12 2.43198762e-02] [-1.95568248e-02 4.39141924e-02 -1.27050114e-12] [ 1.95568248e-02 4.39141924e-02 -9.39071181e-13] [-1.95568248e-02 -4.39141924e-02 -4.37764395e-13] [ 1.95568248e-02 -4.39141924e-02 -1.16191475e-12]] Final stress: [-3.49566475e-04 7.67327694e-04 -3.49566475e-04 1.73253011e-15 5.40376475e-16 -3.07266377e-15] Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.90783020e-02 -3.99404251e-12 -3.55222926e-12] [ 1.90783020e-02 -1.13126175e-12 -2.16232587e-12] [-6.15336775e-14 -1.90783020e-02 2.60589250e-12] [ 1.10389475e-12 1.90783020e-02 1.43399181e-12] [ 9.26449130e-13 -3.52286548e-12 -7.12644759e-02] [-5.92970117e-13 -6.88968327e-12 7.12644759e-02] [-1.90783020e-02 -4.02905227e-12 3.65009910e-13] [ 1.90783020e-02 -2.35041801e-12 3.05409640e-12] [-4.96210755e-12 -1.90783020e-02 3.78606593e-12] [-3.43316706e-12 1.90783020e-02 3.69823800e-12] [ 6.75084121e-13 -1.74970015e-12 -7.12644759e-02] [-2.36891366e-12 -5.60192787e-12 7.12644759e-02] [-4.33116243e-02 -4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 -4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 -4.33116243e-02 -1.94252310e-02] [ 4.33116243e-02 4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 -4.33116243e-02 1.94252310e-02] [-4.33116243e-02 -4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 -4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 -4.33116243e-02 -1.94252310e-02] [ 4.33116243e-02 4.33116243e-02 -1.94252310e-02] [-4.33116243e-02 4.33116243e-02 1.94252310e-02] [ 4.33116243e-02 -4.33116243e-02 1.94252310e-02] [-6.36996011e-12 2.81719092e-12 -4.96067076e-12] [ 1.18870929e-12 1.17554012e-12 -6.09444125e-12] [ 3.22641913e-12 -4.15216544e-02 6.80197710e-02] [ 2.84577396e-12 4.15216544e-02 6.80197710e-02] [-2.58099098e-12 -4.15216544e-02 -6.80197710e-02] [ 2.49410464e-12 4.15216544e-02 -6.80197710e-02] [-4.15216544e-02 3.87223587e-12 6.80197710e-02] [-4.15216544e-02 1.88272314e-12 -6.80197710e-02] [ 4.15216544e-02 4.09370801e-12 6.80197710e-02] [ 4.15216544e-02 -4.70580253e-12 -6.80197710e-02] [-1.85383454e-02 -1.85383453e-02 -3.87045951e-12] [ 1.85383454e-02 -1.85383453e-02 3.00392176e-12] [-1.85383454e-02 1.85383453e-02 -2.28068085e-12] [ 1.85383453e-02 1.85383453e-02 3.52416707e-12] [ 1.81658464e-12 -4.15216544e-02 6.80197710e-02] [-2.05992471e-12 4.15216544e-02 6.80197710e-02] [ 2.92913133e-12 -4.15216544e-02 -6.80197710e-02] [-1.90864598e-12 4.15216544e-02 -6.80197710e-02] [-4.15216544e-02 1.17346683e-12 6.80197710e-02] [-4.15216544e-02 2.27237185e-12 -6.80197710e-02] [ 4.15216544e-02 4.75393726e-12 6.80197710e-02] [ 4.15216544e-02 3.93210551e-12 -6.80197710e-02] [-1.85383453e-02 -1.85383453e-02 -8.47657511e-12] [ 1.85383453e-02 -1.85383453e-02 -6.24587417e-12] [-1.85383453e-02 1.85383454e-02 -5.61508244e-12] [ 1.85383453e-02 1.85383453e-02 -3.56224642e-12]] Final stress: [-7.13577425e-04 -7.13577425e-04 -7.95720630e-04 7.54864368e-15 -6.38641858e-15 -4.38453158e-15] Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 9.77337614e-03 -1.47623233e-13 1.15551665e-13] [-9.77337614e-03 -3.08364445e-14 -3.53883589e-14] [-6.95047318e-14 7.37714521e-03 1.48175743e-14] [ 9.17321774e-14 -7.37714521e-03 1.03972386e-13] [ 3.30789215e-13 1.07506885e-13 7.37714521e-03] [-3.91908728e-14 -2.70422573e-13 -7.37714521e-03] [ 9.77337614e-03 -2.97615231e-13 4.55941322e-14] [-9.77337614e-03 -3.78122880e-13 1.46562574e-15] [-8.67925523e-14 7.37714521e-03 4.02569909e-14] [ 4.25419248e-14 -7.37714521e-03 1.30561004e-13] [ 5.61430243e-14 -3.69921821e-14 7.37714521e-03] [ 1.11386161e-13 -1.73280940e-13 -7.37714521e-03] [-1.29005182e-03 2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 -2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 -2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 2.61121276e-03 -2.61121276e-03] [ 1.29005182e-03 -2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 -2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 2.61121276e-03 2.61121276e-03] [-1.29005182e-03 2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 -2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 -2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 2.61121276e-03 -2.61121276e-03] [ 1.29005182e-03 -2.61121276e-03 -2.61121276e-03] [-1.29005182e-03 -2.61121276e-03 2.61121276e-03] [ 1.29005182e-03 2.61121276e-03 2.61121276e-03] [ 8.19899704e-14 -4.57411886e-14 7.64388552e-14] [-4.02013492e-14 2.28752554e-13 -4.55407461e-13] [ 2.75335310e-13 6.24594252e-03 6.24594252e-03] [ 2.27932256e-13 -6.24594252e-03 6.24594252e-03] [ 7.65880415e-15 6.24594252e-03 -6.24594252e-03] [ 5.36497929e-14 -6.24594252e-03 -6.24594252e-03] [ 2.55733279e-03 -7.09432513e-14 1.90027666e-03] [ 2.55733279e-03 -1.01189890e-13 -1.90027666e-03] [-2.55733279e-03 -7.76531617e-14 1.90027666e-03] [-2.55733279e-03 -5.10010437e-13 -1.90027666e-03] [ 2.55733279e-03 1.90027665e-03 -6.33937347e-14] [-2.55733279e-03 1.90027665e-03 -1.21652688e-13] [ 2.55733279e-03 -1.90027665e-03 -7.45618844e-14] [-2.55733279e-03 -1.90027666e-03 -3.14154952e-13] [ 8.41609768e-14 6.24594252e-03 6.24594252e-03] [-2.70654592e-13 -6.24594252e-03 6.24594252e-03] [-1.94295101e-13 6.24594252e-03 -6.24594252e-03] [-2.85027210e-13 -6.24594252e-03 -6.24594252e-03] [ 2.55733279e-03 4.83175401e-13 1.90027666e-03] [ 2.55733279e-03 1.77581257e-13 -1.90027665e-03] [-2.55733279e-03 2.53880250e-13 1.90027666e-03] [-2.55733279e-03 2.82977201e-13 -1.90027665e-03] [ 2.55733279e-03 1.90027666e-03 -3.10492925e-13] [-2.55733279e-03 1.90027666e-03 -9.13258828e-14] [ 2.55733279e-03 -1.90027666e-03 -1.60618287e-13] [-2.55733279e-03 -1.90027666e-03 -1.08262791e-13]] Final stress: [-3.44796915e-04 4.14898037e-05 4.14898037e-05 1.61255387e-16 6.30059709e-16 -7.64716270e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.26498948e-02 -1.23404975e-12 1.01107078e-12] [ 2.26498948e-02 -1.82909243e-14 2.97040170e-13] [ 4.54844062e-13 -1.42807097e-02 8.48700450e-14] [ 4.87165863e-13 1.42807097e-02 8.97365515e-13] [ 5.05759930e-13 -4.10429503e-13 -1.42807097e-02] [ 3.26960681e-14 -1.02456932e-12 1.42807097e-02] [-2.26498948e-02 -6.92152065e-13 1.14921042e-13] [ 2.26498948e-02 -1.33625749e-13 2.51851041e-13] [ 1.81256919e-14 -1.42807097e-02 -8.33463246e-15] [ 1.15935646e-12 1.42807097e-02 -6.76550411e-13] [-5.18367901e-13 -3.07713679e-13 -1.42807097e-02] [-8.72669992e-13 -7.93130123e-13 1.42807097e-02] [ 7.02303922e-03 -8.32130072e-03 -8.32130071e-03] [-7.02303922e-03 8.32130072e-03 -8.32130072e-03] [-7.02303922e-03 -8.32130072e-03 8.32130071e-03] [ 7.02303922e-03 8.32130072e-03 8.32130071e-03] [ 7.02303922e-03 -8.32130072e-03 8.32130071e-03] [-7.02303922e-03 8.32130072e-03 8.32130072e-03] [ 7.02303922e-03 8.32130072e-03 -8.32130072e-03] [-7.02303922e-03 -8.32130072e-03 -8.32130072e-03] [ 7.02303922e-03 -8.32130072e-03 -8.32130072e-03] [-7.02303922e-03 8.32130071e-03 -8.32130072e-03] [-7.02303922e-03 -8.32130072e-03 8.32130072e-03] [ 7.02303922e-03 8.32130072e-03 8.32130072e-03] [ 7.02303922e-03 -8.32130072e-03 8.32130072e-03] [-7.02303922e-03 8.32130071e-03 8.32130072e-03] [ 7.02303922e-03 8.32130071e-03 -8.32130072e-03] [-7.02303922e-03 -8.32130072e-03 -8.32130072e-03] [ 6.76680934e-14 1.16850973e-13 6.54976073e-13] [-5.21705075e-13 1.07930837e-14 -1.38995068e-12] [ 1.94733119e-13 -1.75647329e-02 -1.75647329e-02] [ 1.04417516e-12 1.75647329e-02 -1.75647329e-02] [-3.47813792e-13 -1.75647329e-02 1.75647329e-02] [ 6.18312693e-13 1.75647329e-02 1.75647329e-02] [-2.75628481e-03 2.22155627e-13 5.54903027e-04] [-2.75628481e-03 -3.74608330e-13 -5.54903026e-04] [ 2.75628481e-03 -6.04492151e-13 5.54903027e-04] [ 2.75628481e-03 8.75959028e-13 -5.54903027e-04] [-2.75628481e-03 5.54903028e-04 -2.82440737e-13] [ 2.75628482e-03 5.54903029e-04 1.92066849e-13] [-2.75628482e-03 -5.54903029e-04 -6.46233067e-13] [ 2.75628481e-03 -5.54903029e-04 1.57996879e-13] [ 1.92500529e-13 -1.75647329e-02 -1.75647329e-02] [-1.32352896e-12 1.75647329e-02 -1.75647329e-02] [ 8.71309969e-13 -1.75647329e-02 1.75647329e-02] [ 1.10038281e-13 1.75647329e-02 1.75647329e-02] [-2.75628481e-03 1.07681094e-12 5.54903027e-04] [-2.75628481e-03 -1.20957931e-13 -5.54903028e-04] [ 2.75628482e-03 2.02125686e-12 5.54903028e-04] [ 2.75628481e-03 -5.94836680e-14 -5.54903027e-04] [-2.75628481e-03 5.54903027e-04 -2.43825546e-12] [ 2.75628481e-03 5.54903026e-04 -1.38465151e-12] [-2.75628481e-03 -5.54903026e-04 -3.04188620e-13] [ 2.75628481e-03 -5.54903028e-04 -1.26711228e-12]] Final stress: [ 7.95491107e-04 -9.18662302e-05 -9.18662302e-05 -3.67442222e-16 1.34839657e-15 -3.44165339e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.37714515e-03 8.40993941e-15 2.46884110e-13] [-7.37714515e-03 -1.06026299e-14 1.80327975e-13] [ 8.31088670e-14 9.77337603e-03 1.35585987e-14] [ 2.48079335e-13 -9.77337603e-03 9.40636458e-14] [ 1.79634085e-13 2.82508392e-14 7.37714515e-03] [-3.76365605e-14 -1.31838984e-13 -7.37714515e-03] [ 7.37714515e-03 -3.07224732e-13 -1.91022606e-14] [-7.37714515e-03 -1.81990274e-13 3.09733986e-13] [ 2.64194049e-14 9.77337604e-03 2.71384946e-13] [ 1.66244189e-13 -9.77337604e-03 -3.91463051e-14] [ 1.37852837e-13 -3.21469438e-14 7.37714515e-03] [-1.58624849e-13 -3.87399934e-13 -7.37714515e-03] [ 2.61121273e-03 -1.29005181e-03 2.61121273e-03] [-2.61121273e-03 1.29005181e-03 2.61121273e-03] [-2.61121273e-03 -1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 -1.29005181e-03 -2.61121273e-03] [-2.61121273e-03 1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 1.29005181e-03 2.61121273e-03] [-2.61121273e-03 -1.29005181e-03 2.61121273e-03] [ 2.61121273e-03 -1.29005181e-03 2.61121273e-03] [-2.61121273e-03 1.29005181e-03 2.61121273e-03] [-2.61121273e-03 -1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 -1.29005181e-03 -2.61121273e-03] [-2.61121273e-03 1.29005181e-03 -2.61121273e-03] [ 2.61121273e-03 1.29005181e-03 2.61121273e-03] [-2.61121273e-03 -1.29005181e-03 2.61121273e-03] [-3.10862447e-15 -3.10862447e-14 -5.50115509e-14] [-1.61185735e-13 2.96514859e-13 -2.35626625e-13] [ 2.11830553e-13 2.55733270e-03 1.90027665e-03] [ 1.45806978e-13 -2.55733270e-03 1.90027665e-03] [ 1.53129245e-13 2.55733270e-03 -1.90027665e-03] [-5.51919621e-14 -2.55733270e-03 -1.90027665e-03] [ 6.24594244e-03 -1.90625293e-13 6.24594244e-03] [ 6.24594244e-03 -8.86096752e-14 -6.24594244e-03] [-6.24594244e-03 -1.97444491e-13 6.24594244e-03] [-6.24594244e-03 -3.28421318e-13 -6.24594244e-03] [ 1.90027665e-03 2.55733270e-03 -1.91402449e-13] [-1.90027665e-03 2.55733270e-03 8.46857307e-14] [ 1.90027665e-03 -2.55733270e-03 2.56985405e-13] [-1.90027665e-03 -2.55733270e-03 4.18692858e-14] [-3.58124988e-14 2.55733270e-03 1.90027665e-03] [ 1.96911498e-13 -2.55733270e-03 1.90027665e-03] [-1.37841127e-14 2.55733270e-03 -1.90027665e-03] [-8.14175116e-14 -2.55733270e-03 -1.90027665e-03] [ 6.24594244e-03 5.78446751e-13 6.24594244e-03] [ 6.24594244e-03 1.95152271e-13 -6.24594244e-03] [-6.24594244e-03 3.10594432e-13 6.24594244e-03] [-6.24594244e-03 3.21636814e-13 -6.24594244e-03] [ 1.90027665e-03 2.55733270e-03 -3.22577425e-13] [-1.90027665e-03 2.55733270e-03 -1.16734903e-13] [ 1.90027665e-03 -2.55733270e-03 -3.22080378e-13] [-1.90027665e-03 -2.55733270e-03 7.74358876e-14]] Final stress: [ 4.14898036e-05 -3.44796910e-04 4.14898036e-05 4.72129175e-16 3.02561655e-16 -4.02307255e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.42807106e-02 -4.29426026e-13 -1.01390250e-14] [ 1.42807106e-02 -7.43460848e-13 8.45074011e-13] [ 5.56468500e-13 -2.26498960e-02 -1.38632595e-13] [ 2.64593902e-13 2.26498960e-02 1.42663659e-13] [ 2.74562924e-13 -3.54478599e-13 -1.42807106e-02] [ 2.93320923e-13 -8.84042839e-13 1.42807106e-02] [-1.42807106e-02 -1.03600982e-12 4.21339858e-15] [ 1.42807106e-02 -3.88180807e-13 4.85722818e-14] [ 2.20446057e-13 -2.26498960e-02 1.49918284e-13] [-1.84350365e-13 2.26498960e-02 7.79478608e-13] [ 1.57364182e-12 4.66696981e-13 -1.42807106e-02] [ 3.58906915e-13 -9.04046295e-13 1.42807106e-02] [-8.32130120e-03 7.02303981e-03 -8.32130120e-03] [ 8.32130120e-03 -7.02303981e-03 -8.32130120e-03] [ 8.32130119e-03 7.02303982e-03 8.32130119e-03] [-8.32130120e-03 -7.02303981e-03 8.32130120e-03] [-8.32130120e-03 7.02303981e-03 8.32130119e-03] [ 8.32130119e-03 -7.02303982e-03 8.32130120e-03] [-8.32130120e-03 -7.02303981e-03 -8.32130120e-03] [ 8.32130119e-03 7.02303981e-03 -8.32130120e-03] [-8.32130120e-03 7.02303981e-03 -8.32130120e-03] [ 8.32130120e-03 -7.02303982e-03 -8.32130120e-03] [ 8.32130120e-03 7.02303981e-03 8.32130120e-03] [-8.32130120e-03 -7.02303982e-03 8.32130120e-03] [-8.32130120e-03 7.02303982e-03 8.32130120e-03] [ 8.32130120e-03 -7.02303982e-03 8.32130120e-03] [-8.32130120e-03 -7.02303982e-03 -8.32130120e-03] [ 8.32130120e-03 7.02303982e-03 -8.32130120e-03] [ 9.69613279e-13 4.94715380e-13 -9.97590899e-13] [ 1.92035190e-13 1.10175068e-13 1.02020475e-12] [ 1.55553348e-12 -2.75628438e-03 5.54903091e-04] [ 6.74120482e-13 2.75628438e-03 5.54903092e-04] [-1.89848137e-14 -2.75628438e-03 -5.54903090e-04] [ 3.49094018e-13 2.75628438e-03 -5.54903089e-04] [-1.75647338e-02 8.62532268e-13 -1.75647338e-02] [-1.75647338e-02 -1.21517206e-12 1.75647338e-02] [ 1.75647338e-02 1.06474031e-12 -1.75647338e-02] [ 1.75647338e-02 7.71818373e-13 1.75647338e-02] [ 5.54903092e-04 -2.75628438e-03 -1.55087054e-12] [-5.54903090e-04 -2.75628438e-03 2.83929130e-13] [ 5.54903089e-04 2.75628438e-03 8.00325084e-13] [-5.54903092e-04 2.75628438e-03 -2.95808517e-13] [ 9.29577595e-14 -2.75628439e-03 5.54903094e-04] [ 4.22681421e-13 2.75628439e-03 5.54903093e-04] [-1.91450848e-12 -2.75628438e-03 -5.54903094e-04] [-7.91052120e-13 2.75628438e-03 -5.54903092e-04] [-1.75647338e-02 -1.93068901e-13 -1.75647338e-02] [-1.75647338e-02 6.27945178e-13 1.75647338e-02] [ 1.75647338e-02 2.66172024e-12 -1.75647338e-02] [ 1.75647338e-02 5.49834917e-13 1.75647338e-02] [ 5.54903093e-04 -2.75628438e-03 -4.58979819e-13] [-5.54903092e-04 -2.75628438e-03 -2.45227968e-12] [ 5.54903091e-04 2.75628438e-03 -1.29117671e-12] [-5.54903092e-04 2.75628439e-03 -1.95707556e-12]] Final stress: [-9.18662367e-05 7.95491136e-04 -9.18662367e-05 1.43817883e-15 3.40840070e-16 4.38935505e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.37714525e-03 -2.11837492e-13 2.16771046e-14] [-7.37714525e-03 -5.61217739e-14 4.36872760e-14] [ 5.71925320e-14 7.37714525e-03 -9.92808266e-14] [ 1.81493709e-13 -7.37714525e-03 1.77718951e-13] [ 5.13929177e-14 -2.20627336e-13 9.77337623e-03] [-6.92501612e-14 -4.48613369e-13 -9.77337623e-03] [ 7.37714525e-03 1.98812321e-14 -1.17351593e-13] [-7.37714525e-03 -1.47177843e-13 -8.51734509e-14] [-1.83658210e-13 7.37714525e-03 -2.19421742e-14] [ 2.25868803e-13 -7.37714525e-03 -1.87236063e-13] [ 3.70198663e-13 -5.55911703e-14 9.77337623e-03] [-1.34771101e-13 -1.67016025e-13 -9.77337623e-03] [ 2.61121278e-03 2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 -2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 -2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 2.61121278e-03 1.29005182e-03] [-2.61121278e-03 -2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 -2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 2.61121278e-03 -1.29005182e-03] [ 2.61121278e-03 2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 -2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 -2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 2.61121278e-03 1.29005182e-03] [-2.61121278e-03 -2.61121278e-03 1.29005182e-03] [ 2.61121278e-03 -2.61121278e-03 -1.29005182e-03] [-2.61121278e-03 2.61121278e-03 -1.29005182e-03] [ 8.32667268e-15 5.99520433e-15 9.13435994e-14] [-3.47356258e-13 1.15485281e-13 -9.54741193e-14] [-1.50879309e-13 1.90027665e-03 2.55733286e-03] [-4.95783969e-15 -1.90027665e-03 2.55733286e-03] [-2.35204217e-13 1.90027665e-03 -2.55733286e-03] [-2.05096357e-13 -1.90027665e-03 -2.55733286e-03] [ 1.90027665e-03 -7.17204074e-14 2.55733286e-03] [ 1.90027664e-03 -1.54957644e-13 -2.55733286e-03] [-1.90027665e-03 3.04582748e-14 2.55733286e-03] [-1.90027665e-03 -3.51186094e-13 -2.55733286e-03] [ 6.24594258e-03 6.24594258e-03 1.89070981e-13] [-6.24594258e-03 6.24594258e-03 -6.50000886e-15] [ 6.24594258e-03 -6.24594258e-03 7.76687742e-14] [-6.24594258e-03 -6.24594258e-03 3.49244939e-13] [ 3.97595585e-13 1.90027665e-03 2.55733286e-03] [-1.17432106e-14 -1.90027665e-03 2.55733286e-03] [ 2.23876039e-13 1.90027665e-03 -2.55733286e-03] [-1.01125705e-13 -1.90027664e-03 -2.55733286e-03] [ 1.90027665e-03 3.27366442e-13 2.55733286e-03] [ 1.90027665e-03 2.82645001e-13 -2.55733286e-03] [-1.90027665e-03 6.23455714e-13 2.55733286e-03] [-1.90027664e-03 2.45445157e-13 -2.55733286e-03] [ 6.24594258e-03 6.24594258e-03 -3.13939763e-13] [-6.24594258e-03 6.24594258e-03 -3.24199848e-13] [ 6.24594258e-03 -6.24594258e-03 -2.79030529e-13] [-6.24594258e-03 -6.24594258e-03 -4.91469278e-13]] Final stress: [ 4.14898038e-05 4.14898038e-05 -3.44796918e-04 6.64970669e-17 2.57676134e-16 -1.05896579e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.42807099e-02 5.58017174e-14 2.36637966e-14] [ 1.42807099e-02 6.36712905e-14 -5.96467320e-14] [ 5.40311285e-13 -1.42807099e-02 -1.33111838e-13] [ 2.74669176e-13 1.42807099e-02 3.53800322e-13] [ 4.12158589e-13 -7.76522943e-14 -2.26498951e-02] [ 2.55573340e-13 9.52016244e-15 2.26498951e-02] [-1.42807099e-02 -9.85375410e-13 -8.63299581e-13] [ 1.42807099e-02 2.20470777e-13 -9.20287828e-15] [ 2.56027838e-13 -1.42807099e-02 -2.14621596e-13] [ 5.24533108e-13 1.42807099e-02 -6.03011049e-13] [ 6.01779043e-13 -7.03404308e-13 -2.26498951e-02] [ 2.40348106e-13 -9.42749945e-13 2.26498951e-02] [-8.32130086e-03 -8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 -8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 -8.32130086e-03 -7.02303938e-03] [ 8.32130086e-03 8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 -8.32130086e-03 7.02303938e-03] [-8.32130086e-03 -8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 -8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 -8.32130086e-03 -7.02303938e-03] [ 8.32130086e-03 8.32130086e-03 -7.02303938e-03] [-8.32130086e-03 8.32130086e-03 7.02303938e-03] [ 8.32130086e-03 -8.32130086e-03 7.02303938e-03] [-1.70252701e-13 -1.97675210e-13 1.20090049e-12] [ 3.07613744e-13 8.19537031e-13 -1.95356400e-12] [-5.57331958e-14 5.54903033e-04 -2.75628471e-03] [ 1.37695411e-13 -5.54903031e-04 -2.75628471e-03] [-3.40803774e-14 5.54903035e-04 2.75628471e-03] [-4.70699868e-13 -5.54903033e-04 2.75628471e-03] [ 5.54903032e-04 -8.84736728e-13 -2.75628471e-03] [ 5.54903033e-04 3.13761170e-13 2.75628471e-03] [-5.54903030e-04 6.52949916e-14 -2.75628471e-03] [-5.54903032e-04 -1.02801968e-12 2.75628471e-03] [-1.75647332e-02 -1.75647332e-02 -7.80042697e-13] [ 1.75647332e-02 -1.75647332e-02 1.20596068e-12] [-1.75647332e-02 1.75647332e-02 9.67713756e-13] [ 1.75647332e-02 1.75647332e-02 -4.11849374e-13] [-2.66843839e-15 5.54903031e-04 -2.75628471e-03] [-1.25853624e-12 -5.54903032e-04 -2.75628471e-03] [-1.18587909e-12 5.54903032e-04 2.75628471e-03] [ 5.50330614e-13 -5.54903032e-04 2.75628471e-03] [ 5.54903032e-04 1.79339158e-12 -2.75628471e-03] [ 5.54903033e-04 8.24141536e-13 2.75628471e-03] [-5.54903031e-04 1.11023950e-12 -2.75628471e-03] [-5.54903033e-04 4.64322157e-13 2.75628471e-03] [-1.75647332e-02 -1.75647332e-02 -1.07284466e-12] [ 1.75647332e-02 -1.75647332e-02 -2.07459278e-12] [-1.75647332e-02 1.75647332e-02 -1.59832223e-12] [ 1.75647332e-02 1.75647332e-02 -8.27882467e-13]] Final stress: [-9.18662317e-05 -9.18662317e-05 7.95491116e-04 -4.73850830e-16 7.84763479e-16 -3.35852167e-16] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-2.26342241e-02 -3.00136283e-12 -9.64800722e-13] [ 2.26342241e-02 -3.74844600e-12 2.34451347e-13] [-2.86378039e-12 -1.49561047e-02 -1.47091974e-13] [-5.96378502e-12 1.49561047e-02 2.18342011e-12] [ 1.05584552e-12 -2.68388393e-12 -1.49561047e-02] [-2.34323672e-12 -3.82455179e-12 1.49561047e-02] [-2.26342241e-02 5.73853465e-13 -1.61834210e-12] [ 2.26342241e-02 3.20016626e-12 1.22122906e-12] [-1.18704742e-12 -1.49561047e-02 -4.18411651e-12] [-3.15863872e-12 1.49561047e-02 -3.60908780e-13] [ 2.55295958e-12 2.66806336e-13 -1.49561047e-02] [-1.86971142e-12 -1.79197227e-12 1.49561047e-02] [ 7.32610550e-03 -8.62168147e-03 -8.62168148e-03] [-7.32610550e-03 8.62168147e-03 -8.62168146e-03] [-7.32610549e-03 -8.62168147e-03 8.62168147e-03] [ 7.32610550e-03 8.62168147e-03 8.62168147e-03] [ 7.32610550e-03 -8.62168147e-03 8.62168147e-03] [-7.32610550e-03 8.62168147e-03 8.62168147e-03] [ 7.32610550e-03 8.62168147e-03 -8.62168147e-03] [-7.32610550e-03 -8.62168147e-03 -8.62168147e-03] [ 7.32610550e-03 -8.62168146e-03 -8.62168146e-03] [-7.32610549e-03 8.62168147e-03 -8.62168147e-03] [-7.32610549e-03 -8.62168147e-03 8.62168147e-03] [ 7.32610551e-03 8.62168147e-03 8.62168148e-03] [ 7.32610551e-03 -8.62168146e-03 8.62168148e-03] [-7.32610549e-03 8.62168147e-03 8.62168148e-03] [ 7.32610551e-03 8.62168146e-03 -8.62168147e-03] [-7.32610550e-03 -8.62168147e-03 -8.62168148e-03] [-1.32421296e-11 -7.06615322e-12 -6.21250273e-12] [ 1.02362780e-12 6.69438976e-12 -6.87953559e-13] [ 2.28117525e-12 -1.89554329e-02 -1.89554329e-02] [-3.13688832e-12 1.89554329e-02 -1.89554329e-02] [-6.56847146e-12 -1.89554329e-02 1.89554329e-02] [-4.17137679e-12 1.89554329e-02 1.89554329e-02] [ 1.05160362e-03 -6.30862029e-12 -3.08023803e-03] [ 1.05160362e-03 -1.75739284e-12 3.08023804e-03] [-1.05160363e-03 -6.30118006e-12 -3.08023802e-03] [-1.05160363e-03 -1.71066633e-12 3.08023803e-03] [ 1.05160363e-03 -3.08023805e-03 -3.20976579e-12] [-1.05160363e-03 -3.08023804e-03 4.26379071e-12] [ 1.05160362e-03 3.08023803e-03 -7.03875846e-12] [-1.05160362e-03 3.08023802e-03 -6.19533244e-12] [-2.19813447e-12 -1.89554329e-02 -1.89554329e-02] [-8.90893696e-13 1.89554329e-02 -1.89554329e-02] [ 4.34049064e-13 -1.89554329e-02 1.89554329e-02] [ 4.30318108e-13 1.89554329e-02 1.89554329e-02] [ 1.05160363e-03 2.11616137e-12 -3.08023804e-03] [ 1.05160363e-03 9.69464743e-13 3.08023803e-03] [-1.05160363e-03 2.67730890e-12 -3.08023803e-03] [-1.05160364e-03 7.07938916e-13 3.08023804e-03] [ 1.05160363e-03 -3.08023804e-03 7.81716254e-13] [-1.05160363e-03 -3.08023803e-03 -1.58905044e-12] [ 1.05160362e-03 3.08023803e-03 -8.41362692e-13] [-1.05160363e-03 3.08023803e-03 -3.22133379e-12]] Final stress: [ 8.11635815e-04 -7.49759176e-05 -7.49759177e-05 3.96196513e-15 9.33713644e-15 9.24236850e-15] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.49692508e-02 -2.29870506e-12 -3.42068214e-12] [ 1.49692508e-02 -2.05835349e-12 -2.22449836e-12] [-5.38167601e-14 -2.26296944e-02 -1.72018628e-12] [-9.18765064e-13 2.26296943e-02 -7.05491221e-13] [-3.21804822e-12 -2.11202800e-12 -1.49692508e-02] [-4.07601730e-12 -1.24167343e-12 1.49692508e-02] [-1.49692508e-02 -3.06055311e-12 1.73423660e-12] [ 1.49692508e-02 -1.46655518e-12 2.86488650e-12] [ 2.42997072e-12 -2.26296944e-02 8.03798999e-13] [ 1.82969135e-12 2.26296944e-02 4.01625025e-12] [ 2.61113310e-12 3.05379516e-13 -1.49692508e-02] [ 3.46145118e-12 -1.50716605e-12 1.49692508e-02] [-8.61065120e-03 7.32216077e-03 -8.61065120e-03] [ 8.61065119e-03 -7.32216078e-03 -8.61065119e-03] [ 8.61065119e-03 7.32216078e-03 8.61065119e-03] [-8.61065120e-03 -7.32216077e-03 8.61065119e-03] [-8.61065120e-03 7.32216078e-03 8.61065119e-03] [ 8.61065119e-03 -7.32216078e-03 8.61065119e-03] [-8.61065120e-03 -7.32216077e-03 -8.61065120e-03] [ 8.61065119e-03 7.32216078e-03 -8.61065120e-03] [-8.61065120e-03 7.32216079e-03 -8.61065120e-03] [ 8.61065120e-03 -7.32216078e-03 -8.61065120e-03] [ 8.61065121e-03 7.32216078e-03 8.61065121e-03] [-8.61065120e-03 -7.32216077e-03 8.61065120e-03] [-8.61065120e-03 7.32216079e-03 8.61065121e-03] [ 8.61065120e-03 -7.32216077e-03 8.61065121e-03] [-8.61065120e-03 -7.32216078e-03 -8.61065119e-03] [ 8.61065120e-03 7.32216078e-03 -8.61065120e-03] [-1.39867562e-11 -2.89945845e-12 -1.38941914e-11] [ 7.46597228e-13 2.40580137e-12 3.80308961e-13] [-6.99551528e-12 1.01992081e-03 -3.04401923e-03] [-7.19135862e-12 -1.01992082e-03 -3.04401924e-03] [-5.04973494e-12 1.01992083e-03 3.04401924e-03] [-1.08980255e-11 -1.01992082e-03 3.04401924e-03] [-1.89289641e-02 -3.54960505e-12 -1.89289641e-02] [-1.89289641e-02 -8.04977612e-13 1.89289641e-02] [ 1.89289641e-02 -1.75961849e-12 -1.89289641e-02] [ 1.89289641e-02 -2.08236900e-12 1.89289641e-02] [-3.04401925e-03 1.01992082e-03 -6.17983442e-12] [ 3.04401924e-03 1.01992083e-03 -8.71660730e-12] [-3.04401923e-03 -1.01992082e-03 -6.39516738e-12] [ 3.04401923e-03 -1.01992082e-03 -1.13447619e-11] [-1.47546949e-12 1.01992083e-03 -3.04401923e-03] [-9.57597716e-13 -1.01992083e-03 -3.04401924e-03] [-2.85648068e-12 1.01992083e-03 3.04401923e-03] [-1.63101303e-13 -1.01992083e-03 3.04401924e-03] [-1.89289641e-02 6.32008889e-13 -1.89289641e-02] [-1.89289641e-02 4.48184523e-12 1.89289641e-02] [ 1.89289641e-02 -6.05272776e-13 -1.89289641e-02] [ 1.89289641e-02 4.26550895e-12 1.89289641e-02] [-3.04401923e-03 1.01992082e-03 -1.62522141e-12] [ 3.04401923e-03 1.01992082e-03 -1.30559321e-12] [-3.04401922e-03 -1.01992082e-03 -5.29074325e-12] [ 3.04401923e-03 -1.01992082e-03 -2.80055926e-12]] Final stress: [-7.50773816e-05 8.11046260e-04 -7.50773815e-05 -4.04343231e-15 -4.14485063e-15 4.08998498e-16] Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-1.49569320e-02 7.39951503e-13 7.66176185e-13] [ 1.49569320e-02 1.51859081e-12 6.50229870e-13] [ 7.42348023e-13 -1.49569320e-02 1.38504616e-12] [ 8.68860539e-13 1.49569320e-02 2.56197841e-12] [ 2.27631152e-12 1.67194730e-12 -2.26275915e-02] [ 9.54097912e-13 1.03819731e-12 2.26275915e-02] [-1.49569320e-02 -4.05860415e-12 -3.87682480e-13] [ 1.49569320e-02 -4.05711055e-13 -4.36370633e-13] [-1.54975121e-12 -1.49569320e-02 -6.54903053e-12] [-2.43525642e-12 1.49569320e-02 -2.34089006e-12] [ 1.34758307e-12 -9.74805075e-13 -2.26275915e-02] [-1.79718566e-12 -6.68299686e-12 2.26275915e-02] [-8.61541101e-03 -8.61541101e-03 7.32202269e-03] [ 8.61541101e-03 8.61541101e-03 7.32202270e-03] [ 8.61541101e-03 -8.61541100e-03 -7.32202269e-03] [-8.61541101e-03 8.61541101e-03 -7.32202269e-03] [-8.61541101e-03 -8.61541101e-03 -7.32202269e-03] [ 8.61541102e-03 8.61541100e-03 -7.32202269e-03] [-8.61541101e-03 8.61541101e-03 7.32202269e-03] [ 8.61541100e-03 -8.61541101e-03 7.32202270e-03] [-8.61541101e-03 -8.61541101e-03 7.32202270e-03] [ 8.61541101e-03 8.61541101e-03 7.32202270e-03] [ 8.61541101e-03 -8.61541101e-03 -7.32202269e-03] [-8.61541100e-03 8.61541100e-03 -7.32202269e-03] [-8.61541100e-03 -8.61541100e-03 -7.32202268e-03] [ 8.61541101e-03 8.61541101e-03 -7.32202269e-03] [-8.61541100e-03 8.61541101e-03 7.32202270e-03] [ 8.61541101e-03 -8.61541101e-03 7.32202270e-03] [-9.27166677e-12 6.91655067e-12 -5.98912586e-12] [-1.18654218e-13 -5.72210913e-12 -2.88209531e-12] [ 7.87481191e-13 -3.06630395e-03 1.03758101e-03] [-3.89615597e-12 3.06630396e-03 1.03758102e-03] [ 3.35289088e-13 -3.06630395e-03 -1.03758101e-03] [-3.02677328e-12 3.06630396e-03 -1.03758101e-03] [-3.06630396e-03 -7.76378961e-13 1.03758101e-03] [-3.06630396e-03 -5.08124619e-12 -1.03758102e-03] [ 3.06630397e-03 3.63549642e-12 1.03758103e-03] [ 3.06630396e-03 2.82079742e-12 -1.03758102e-03] [-1.89406878e-02 -1.89406878e-02 -7.83328957e-12] [ 1.89406878e-02 -1.89406878e-02 -6.80312230e-12] [-1.89406878e-02 1.89406878e-02 -7.54662999e-12] [ 1.89406878e-02 1.89406878e-02 -2.68667727e-12] [-5.13241359e-12 -3.06630396e-03 1.03758101e-03] [ 8.94380056e-15 3.06630397e-03 1.03758102e-03] [-1.12716698e-11 -3.06630397e-03 -1.03758102e-03] [-5.21244289e-12 3.06630396e-03 -1.03758102e-03] [-3.06630396e-03 6.68243074e-13 1.03758101e-03] [-3.06630395e-03 2.26568384e-12 -1.03758102e-03] [ 3.06630397e-03 -2.47226458e-12 1.03758102e-03] [ 3.06630394e-03 -4.63199704e-12 -1.03758102e-03] [-1.89406878e-02 -1.89406878e-02 -2.77143017e-12] [ 1.89406878e-02 -1.89406878e-02 -8.03962518e-13] [-1.89406878e-02 1.89406878e-02 -5.29888039e-12] [ 1.89406878e-02 1.89406878e-02 -2.14684867e-12]] Final stress: [-7.49976568e-05 -7.49976569e-05 8.11291875e-04 3.37673150e-15 1.54205735e-14 -2.24949174e-15] Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-3.51521917e-03 -7.56477346e-13 5.00068736e-13] [ 3.51521917e-03 -6.04183370e-13 4.76174655e-13] [ 1.46459234e-13 -2.99707424e-03 4.86576925e-13] [ 7.13040738e-14 2.99707424e-03 5.84698956e-13] [-2.14111714e-13 -3.27350994e-13 -2.99707424e-03] [-3.46361828e-13 -4.89885910e-13 2.99707424e-03] [-3.51521917e-03 -3.02386154e-13 2.57683520e-13] [ 3.51521917e-03 -5.45488134e-13 1.78612389e-13] [ 2.32870147e-13 -2.99707424e-03 -9.21257754e-13] [ 5.06580455e-13 2.99707424e-03 -1.05911639e-12] [-2.64187977e-13 2.40300931e-13 -2.99707424e-03] [ 2.91907123e-13 1.56631076e-13 2.99707424e-03] [ 7.31809691e-04 -9.06148105e-04 -9.06148106e-04] [-7.31809691e-04 9.06148105e-04 -9.06148106e-04] [-7.31809690e-04 -9.06148105e-04 9.06148106e-04] [ 7.31809690e-04 9.06148105e-04 9.06148106e-04] [ 7.31809691e-04 -9.06148106e-04 9.06148107e-04] [-7.31809691e-04 9.06148105e-04 9.06148106e-04] [ 7.31809691e-04 9.06148107e-04 -9.06148106e-04] [-7.31809691e-04 -9.06148106e-04 -9.06148106e-04] [ 7.31809691e-04 -9.06148105e-04 -9.06148107e-04] [-7.31809690e-04 9.06148106e-04 -9.06148106e-04] [-7.31809691e-04 -9.06148105e-04 9.06148106e-04] [ 7.31809691e-04 9.06148106e-04 9.06148106e-04] [ 7.31809691e-04 -9.06148105e-04 9.06148107e-04] [-7.31809691e-04 9.06148106e-04 9.06148106e-04] [ 7.31809690e-04 9.06148106e-04 -9.06148106e-04] [-7.31809690e-04 -9.06148104e-04 -9.06148107e-04] [-1.51351154e-13 -6.82814916e-13 7.91561261e-13] [ 4.53935934e-13 -1.35966863e-12 -7.10645475e-13] [ 1.69420034e-13 -2.07665322e-03 -2.07665322e-03] [ 4.89518148e-13 2.07665322e-03 -2.07665322e-03] [-4.30534081e-13 -2.07665322e-03 2.07665322e-03] [-2.18476279e-13 2.07665322e-03 2.07665322e-03] [-1.02850680e-03 4.05120382e-13 1.80790448e-04] [-1.02850680e-03 -5.05206987e-13 -1.80790449e-04] [ 1.02850680e-03 9.07902226e-13 1.80790450e-04] [ 1.02850680e-03 -1.86961557e-13 -1.80790449e-04] [-1.02850680e-03 1.80790449e-04 -5.56776847e-13] [ 1.02850680e-03 1.80790448e-04 8.01043260e-14] [-1.02850680e-03 -1.80790448e-04 -1.54173549e-13] [ 1.02850680e-03 -1.80790448e-04 -1.78808357e-13] [ 1.37429998e-13 -2.07665322e-03 -2.07665322e-03] [ 4.86893512e-15 2.07665322e-03 -2.07665322e-03] [-1.48184243e-12 -2.07665322e-03 2.07665322e-03] [-2.30276301e-13 2.07665322e-03 2.07665322e-03] [-1.02850680e-03 5.36978603e-14 1.80790448e-04] [-1.02850680e-03 -1.11279258e-13 -1.80790450e-04] [ 1.02850680e-03 3.36267039e-13 1.80790450e-04] [ 1.02850680e-03 1.54511820e-14 -1.80790449e-04] [-1.02850680e-03 1.80790449e-04 -5.17055901e-13] [ 1.02850680e-03 1.80790449e-04 -1.83301907e-13] [-1.02850680e-03 -1.80790449e-04 -2.67067320e-13] [ 1.02850680e-03 -1.80790448e-04 9.02190649e-14]] Final stress: [ 1.14352125e-04 -1.89083736e-05 -1.89083736e-05 9.90892415e-16 -5.22047346e-16 -1.04741983e-15] Minimization converged after 30 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.98976646e-03 3.68263146e-13 -4.41422073e-14] [ 2.98976646e-03 4.79699613e-13 1.22346577e-13] [ 3.66876668e-14 -3.51608412e-03 -3.26527867e-13] [ 2.85993451e-13 3.51608412e-03 4.09949852e-14] [-2.93343475e-13 2.52767859e-13 -2.98976646e-03] [ 3.89133170e-14 1.00058850e-13 2.98976646e-03] [-2.98976646e-03 -3.10131261e-13 2.50380806e-13] [ 2.98976646e-03 -2.60696846e-13 8.36700586e-14] [-4.82822116e-13 -3.51608412e-03 -7.50301318e-13] [-9.79641715e-15 3.51608412e-03 -4.47973063e-13] [ 3.68058882e-13 -7.12274441e-13 -2.98976646e-03] [ 3.67987325e-13 -4.30280609e-13 2.98976646e-03] [-9.10661201e-04 7.29902517e-04 -9.10661200e-04] [ 9.10661199e-04 -7.29902519e-04 -9.10661200e-04] [ 9.10661200e-04 7.29902518e-04 9.10661200e-04] [-9.10661199e-04 -7.29902517e-04 9.10661199e-04] [-9.10661200e-04 7.29902517e-04 9.10661199e-04] [ 9.10661199e-04 -7.29902518e-04 9.10661200e-04] [-9.10661200e-04 -7.29902518e-04 -9.10661201e-04] [ 9.10661199e-04 7.29902518e-04 -9.10661200e-04] [-9.10661199e-04 7.29902517e-04 -9.10661199e-04] [ 9.10661201e-04 -7.29902519e-04 -9.10661199e-04] [ 9.10661201e-04 7.29902517e-04 9.10661200e-04] [-9.10661199e-04 -7.29902519e-04 9.10661200e-04] [-9.10661199e-04 7.29902517e-04 9.10661200e-04] [ 9.10661200e-04 -7.29902518e-04 9.10661201e-04] [-9.10661199e-04 -7.29902518e-04 -9.10661200e-04] [ 9.10661201e-04 7.29902517e-04 -9.10661199e-04] [-3.26849658e-13 5.36098943e-13 -9.82158799e-13] [ 1.33214056e-12 1.42035877e-12 -3.55614971e-13] [ 3.04867243e-13 -1.02449548e-03 1.62402817e-04] [-8.32233588e-13 1.02449548e-03 1.62402816e-04] [-1.12704984e-13 -1.02449548e-03 -1.62402817e-04] [-5.37547437e-13 1.02449548e-03 -1.62402815e-04] [-2.08996387e-03 1.00708331e-12 -2.08996387e-03] [-2.08996387e-03 6.65656766e-13 2.08996387e-03] [ 2.08996387e-03 1.27571564e-12 -2.08996387e-03] [ 2.08996387e-03 9.21429599e-13 2.08996387e-03] [ 1.62402815e-04 -1.02449548e-03 -2.56239474e-13] [-1.62402816e-04 -1.02449548e-03 1.11742213e-13] [ 1.62402815e-04 1.02449548e-03 -6.88823998e-14] [-1.62402815e-04 1.02449548e-03 -2.71171974e-14] [ 1.10568672e-13 -1.02449548e-03 1.62402816e-04] [ 2.30952410e-14 1.02449548e-03 1.62402816e-04] [ 4.15628035e-13 -1.02449549e-03 -1.62402816e-04] [ 2.70014480e-13 1.02449548e-03 -1.62402815e-04] [-2.08996387e-03 1.22964128e-12 -2.08996387e-03] [-2.08996387e-03 -2.86791858e-13 2.08996387e-03] [ 2.08996387e-03 2.98726321e-13 -2.08996387e-03] [ 2.08996387e-03 -2.62106743e-13 2.08996387e-03] [ 1.62402817e-04 -1.02449548e-03 -1.18338863e-13] [-1.62402816e-04 -1.02449548e-03 -5.33465436e-13] [ 1.62402816e-04 1.02449548e-03 1.17064805e-13] [-1.62402817e-04 1.02449549e-03 1.00721948e-13]] Final stress: [-1.87713140e-05 1.14821481e-04 -1.87713140e-05 -6.75003893e-16 -1.74569972e-16 -1.01749355e-15] Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 7 steps. Final forces: [[-2.97982193e-03 -6.15005009e-13 7.36183683e-13] [ 2.97982193e-03 7.74103004e-14 3.21298543e-13] [ 3.02947337e-13 -2.97982193e-03 -3.21148490e-13] [ 4.39204229e-13 2.97982193e-03 4.05508960e-13] [ 3.75281403e-14 -4.41336637e-13 -3.50032037e-03] [ 1.06525899e-13 -8.85291840e-13 3.50032037e-03] [-2.97982193e-03 -3.24887686e-13 -1.61513444e-13] [ 2.97982193e-03 -1.84381156e-13 3.03618466e-14] [-5.86119694e-15 -2.97982193e-03 4.73390443e-13] [ 1.00383243e-13 2.97982193e-03 2.18136143e-13] [-3.07978035e-13 -1.27127218e-13 -3.50032037e-03] [-1.71425808e-13 2.37605512e-13 3.50032037e-03] [-9.03404488e-04 -9.03404488e-04 7.27820391e-04] [ 9.03404487e-04 9.03404487e-04 7.27820390e-04] [ 9.03404487e-04 -9.03404488e-04 -7.27820390e-04] [-9.03404487e-04 9.03404488e-04 -7.27820390e-04] [-9.03404488e-04 -9.03404488e-04 -7.27820390e-04] [ 9.03404487e-04 9.03404487e-04 -7.27820390e-04] [-9.03404488e-04 9.03404487e-04 7.27820391e-04] [ 9.03404487e-04 -9.03404487e-04 7.27820390e-04] [-9.03404488e-04 -9.03404486e-04 7.27820390e-04] [ 9.03404488e-04 9.03404487e-04 7.27820390e-04] [ 9.03404488e-04 -9.03404486e-04 -7.27820391e-04] [-9.03404489e-04 9.03404488e-04 -7.27820390e-04] [-9.03404489e-04 -9.03404487e-04 -7.27820391e-04] [ 9.03404488e-04 9.03404487e-04 -7.27820390e-04] [-9.03404488e-04 9.03404488e-04 7.27820391e-04] [ 9.03404488e-04 -9.03404486e-04 7.27820389e-04] [-7.23587856e-14 -7.75490783e-13 -6.31522612e-13] [-6.67241436e-13 3.34421724e-13 -1.55942800e-13] [ 2.43693954e-13 1.75858864e-04 -1.02348574e-03] [ 2.41622694e-13 -1.75858864e-04 -1.02348574e-03] [ 1.25774391e-13 1.75858865e-04 1.02348574e-03] [ 4.88713237e-13 -1.75858867e-04 1.02348575e-03] [ 1.75858866e-04 9.02611319e-14 -1.02348574e-03] [ 1.75858865e-04 -5.91610094e-14 1.02348574e-03] [-1.75858866e-04 -2.91624364e-13 -1.02348574e-03] [-1.75858866e-04 -7.45618844e-14 1.02348575e-03] [-2.07019267e-03 -2.07019268e-03 6.03295192e-13] [ 2.07019268e-03 -2.07019268e-03 2.19615992e-14] [-2.07019268e-03 2.07019267e-03 5.63089506e-13] [ 2.07019268e-03 2.07019268e-03 6.08194051e-15] [ 1.63774376e-13 1.75858866e-04 -1.02348574e-03] [ 7.74887966e-14 -1.75858866e-04 -1.02348574e-03] [-2.78181991e-13 1.75858866e-04 1.02348574e-03] [-1.44309608e-12 -1.75858867e-04 1.02348574e-03] [ 1.75858865e-04 1.67285903e-12 -1.02348574e-03] [ 1.75858865e-04 1.27284468e-13 1.02348574e-03] [-1.75858867e-04 1.64749247e-12 -1.02348575e-03] [-1.75858865e-04 1.09256744e-12 1.02348574e-03] [-2.07019267e-03 -2.07019268e-03 -1.79917313e-12] [ 2.07019268e-03 -2.07019268e-03 -1.86194803e-13] [-2.07019267e-03 2.07019268e-03 -8.26008288e-13] [ 2.07019268e-03 2.07019267e-03 -4.03586452e-13]] Final stress: [-1.88453553e-05 -1.88453553e-05 1.13966146e-04 -2.26109678e-16 -6.38427328e-16 -9.12751570e-16] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.35662628e-03 -2.25096851e-13 -2.29209880e-13] [-2.35662628e-03 -2.44138043e-13 -2.30065966e-13] [-1.78105794e-13 1.93757373e-03 -5.32249158e-13] [-1.03000941e-13 -1.93757373e-03 2.91627833e-13] [-6.08228745e-14 -7.71921589e-14 1.93757373e-03] [ 8.99558206e-14 4.86832796e-14 -1.93757373e-03] [ 2.35662628e-03 -2.79530305e-13 -2.34645735e-14] [-2.35662628e-03 -3.92789100e-14 -5.94702071e-14] [ 3.65883539e-14 1.93757373e-03 1.53536761e-13] [ 9.59388818e-15 -1.93757373e-03 3.27062560e-13] [ 1.11034012e-13 7.49137066e-14 1.93757373e-03] [ 1.17700988e-15 -3.18725311e-13 -1.93757373e-03] [-4.26088901e-04 6.61651514e-04 6.61651515e-04] [ 4.26088900e-04 -6.61651515e-04 6.61651515e-04] [ 4.26088900e-04 6.61651515e-04 -6.61651516e-04] [-4.26088900e-04 -6.61651515e-04 -6.61651515e-04] [-4.26088900e-04 6.61651515e-04 -6.61651515e-04] [ 4.26088901e-04 -6.61651515e-04 -6.61651515e-04] [-4.26088901e-04 -6.61651515e-04 6.61651515e-04] [ 4.26088901e-04 6.61651515e-04 6.61651515e-04] [-4.26088901e-04 6.61651515e-04 6.61651516e-04] [ 4.26088901e-04 -6.61651515e-04 6.61651515e-04] [ 4.26088901e-04 6.61651515e-04 -6.61651514e-04] [-4.26088900e-04 -6.61651515e-04 -6.61651514e-04] [-4.26088900e-04 6.61651515e-04 -6.61651515e-04] [ 4.26088902e-04 -6.61651515e-04 -6.61651514e-04] [-4.26088899e-04 -6.61651515e-04 6.61651515e-04] [ 4.26088901e-04 6.61651515e-04 6.61651515e-04] [-1.02254316e-12 -2.22127872e-13 -1.00891517e-12] [ 1.00914069e-13 2.03408498e-13 -1.87780952e-13] [ 7.21644966e-14 1.62236961e-03 1.62236961e-03] [-7.00918490e-13 -1.62236961e-03 1.62236961e-03] [ 3.54195839e-14 1.62236961e-03 -1.62236961e-03] [ 4.27312699e-13 -1.62236961e-03 -1.62236961e-03] [ 3.77048076e-04 3.76476628e-13 5.14964725e-04] [ 3.77048076e-04 5.47322604e-13 -5.14964725e-04] [-3.77048075e-04 7.45658743e-13 5.14964725e-04] [-3.77048076e-04 2.28634819e-13 -5.14964725e-04] [ 3.77048075e-04 5.14964726e-04 -8.59756710e-13] [-3.77048075e-04 5.14964726e-04 -7.01771974e-13] [ 3.77048075e-04 -5.14964725e-04 5.19291207e-13] [-3.77048075e-04 -5.14964726e-04 1.79875212e-13] [ 2.92832598e-13 1.62236961e-03 1.62236961e-03] [ 6.82960632e-14 -1.62236961e-03 1.62236961e-03] [-1.42057806e-13 1.62236961e-03 -1.62236961e-03] [-9.16584517e-15 -1.62236961e-03 -1.62236961e-03] [ 3.77048075e-04 4.09619088e-13 5.14964726e-04] [ 3.77048076e-04 4.92439639e-13 -5.14964726e-04] [-3.77048076e-04 5.70524530e-13 5.14964726e-04] [-3.77048075e-04 3.28318969e-13 -5.14964726e-04] [ 3.77048076e-04 5.14964725e-04 -5.09605557e-13] [-3.77048077e-04 5.14964725e-04 -1.57251294e-13] [ 3.77048076e-04 -5.14964725e-04 -6.41746107e-13] [-3.77048076e-04 -5.14964726e-04 -2.81571641e-14]] Final stress: [-8.60858111e-05 1.04076502e-05 1.04076502e-05 -7.66414901e-16 -8.14627552e-17 3.32501041e-18] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-2.81110180e-03 -4.91046440e-13 1.89261367e-13] [ 2.81110180e-03 -3.57769370e-13 1.14741550e-13] [-1.21006503e-13 -1.55332346e-03 -1.25954802e-13] [-1.75137682e-14 1.55332346e-03 -2.21433982e-13] [ 9.63422050e-15 -1.43162392e-13 -1.55332346e-03] [ 1.84324778e-13 -5.90083538e-13 1.55332346e-03] [-2.81110180e-03 -5.16215543e-13 1.81006171e-13] [ 2.81110180e-03 -2.05912544e-13 1.39893545e-13] [-5.20495105e-14 -1.55332346e-03 1.50456678e-13] [ 1.10385659e-13 1.55332346e-03 -3.60922677e-13] [-5.70676319e-14 -1.62135471e-13 -1.55332346e-03] [-2.34255757e-13 2.44405599e-13 1.55332346e-03] [ 4.27240426e-04 -9.13838952e-04 -9.13838952e-04] [-4.27240427e-04 9.13838953e-04 -9.13838952e-04] [-4.27240427e-04 -9.13838953e-04 9.13838952e-04] [ 4.27240427e-04 9.13838953e-04 9.13838952e-04] [ 4.27240427e-04 -9.13838953e-04 9.13838952e-04] [-4.27240427e-04 9.13838953e-04 9.13838952e-04] [ 4.27240426e-04 9.13838953e-04 -9.13838952e-04] [-4.27240427e-04 -9.13838953e-04 -9.13838952e-04] [ 4.27240427e-04 -9.13838952e-04 -9.13838952e-04] [-4.27240426e-04 9.13838952e-04 -9.13838952e-04] [-4.27240426e-04 -9.13838952e-04 9.13838953e-04] [ 4.27240427e-04 9.13838952e-04 9.13838953e-04] [ 4.27240427e-04 -9.13838952e-04 9.13838953e-04] [-4.27240426e-04 9.13838952e-04 9.13838953e-04] [ 4.27240426e-04 9.13838952e-04 -9.13838953e-04] [-4.27240426e-04 -9.13838952e-04 -9.13838952e-04] [-9.55624468e-14 -2.80858670e-13 1.93650651e-13] [-4.53270234e-14 -2.02115387e-14 -5.29465523e-13] [-4.04232203e-13 -1.99148930e-03 -1.99148930e-03] [ 2.17898616e-13 1.99148930e-03 -1.99148930e-03] [ 8.67708683e-15 -1.99148930e-03 1.99148930e-03] [-2.70845846e-13 1.99148930e-03 1.99148930e-03] [-1.35677889e-03 1.57429625e-13 5.31590970e-05] [-1.35677889e-03 -1.98802780e-13 -5.31590980e-05] [ 1.35677889e-03 -3.99996009e-13 5.31590969e-05] [ 1.35677889e-03 2.01868036e-13 -5.31590974e-05] [-1.35677889e-03 5.31590988e-05 -2.28927988e-13] [ 1.35677889e-03 5.31590989e-05 -3.16639076e-14] [-1.35677889e-03 -5.31590988e-05 -7.67962083e-15] [ 1.35677889e-03 -5.31590988e-05 -1.65950587e-13] [ 2.51794679e-13 -1.99148930e-03 -1.99148930e-03] [ 9.62658772e-14 1.99148930e-03 -1.99148930e-03] [ 3.08007526e-13 -1.99148930e-03 1.99148930e-03] [ 2.87766772e-13 1.99148930e-03 1.99148930e-03] [-1.35677889e-03 5.01989808e-13 5.31590992e-05] [-1.35677889e-03 2.74730325e-14 -5.31590982e-05] [ 1.35677889e-03 -1.87549195e-13 5.31590990e-05] [ 1.35677889e-03 3.19338739e-13 -5.31590988e-05] [-1.35677889e-03 5.31590975e-05 3.96777599e-13] [ 1.35677889e-03 5.31590975e-05 3.93579354e-13] [-1.35677889e-03 -5.31590974e-05 3.44207152e-13] [ 1.35677889e-03 -5.31590974e-05 2.02987800e-13]] Final stress: [ 1.10158461e-04 -1.03507370e-05 -1.03507370e-05 4.18964098e-16 6.28446147e-16 -1.01083401e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.99253796e-03 -2.05934228e-13 -1.52590614e-14] [-1.99253796e-03 -1.29646294e-13 -1.82298621e-13] [-2.39808173e-13 2.40853651e-03 -8.26634768e-14] [-7.35522754e-14 -2.40853651e-03 -7.49400542e-16] [-1.84885961e-13 -1.96959636e-13 1.99253796e-03] [-7.61890551e-14 -3.26155769e-13 -1.99253796e-03] [ 1.99253796e-03 -1.66595036e-13 9.38501148e-14] [-1.99253796e-03 -1.34752886e-13 -3.86063130e-14] [-5.02063668e-14 2.40853651e-03 -1.38386953e-13] [ 3.28018862e-14 -2.40853651e-03 2.20041546e-13] [ 8.58670773e-14 -1.39069592e-13 1.99253796e-03] [ 2.48032064e-13 -1.29501738e-13 -1.99253796e-03] [ 6.72315367e-04 -4.37366021e-04 6.72315367e-04] [-6.72315367e-04 4.37366021e-04 6.72315367e-04] [-6.72315367e-04 -4.37366020e-04 -6.72315367e-04] [ 6.72315367e-04 4.37366021e-04 -6.72315367e-04] [ 6.72315367e-04 -4.37366020e-04 -6.72315367e-04] [-6.72315368e-04 4.37366020e-04 -6.72315367e-04] [ 6.72315367e-04 4.37366021e-04 6.72315367e-04] [-6.72315367e-04 -4.37366020e-04 6.72315367e-04] [ 6.72315367e-04 -4.37366019e-04 6.72315367e-04] [-6.72315366e-04 4.37366020e-04 6.72315367e-04] [-6.72315366e-04 -4.37366020e-04 -6.72315366e-04] [ 6.72315367e-04 4.37366020e-04 -6.72315366e-04] [ 6.72315367e-04 -4.37366020e-04 -6.72315366e-04] [-6.72315366e-04 4.37366020e-04 -6.72315366e-04] [ 6.72315367e-04 4.37366020e-04 6.72315367e-04] [-6.72315366e-04 -4.37366020e-04 6.72315367e-04] [-1.10053633e-12 -9.37305789e-14 -9.86682958e-13] [ 1.72058114e-13 1.01987684e-13 -4.23664505e-13] [-4.35429470e-13 3.82845835e-04 5.17508864e-04] [ 3.40887041e-13 -3.82845835e-04 5.17508863e-04] [-2.02527231e-13 3.82845835e-04 -5.17508864e-04] [-4.66888680e-13 -3.82845835e-04 -5.17508863e-04] [ 1.64882072e-03 3.45279361e-13 1.64882072e-03] [ 1.64882072e-03 2.11941575e-13 -1.64882072e-03] [-1.64882072e-03 1.89456090e-13 1.64882072e-03] [-1.64882072e-03 1.01580203e-13 -1.64882072e-03] [ 5.17508863e-04 3.82845835e-04 2.36699549e-13] [-5.17508864e-04 3.82845835e-04 -3.80771803e-13] [ 5.17508863e-04 -3.82845835e-04 4.66892150e-13] [-5.17508864e-04 -3.82845835e-04 2.15232346e-13] [-1.16890005e-13 3.82845835e-04 5.17508865e-04] [ 1.26279629e-13 -3.82845834e-04 5.17508864e-04] [-2.01687625e-13 3.82845834e-04 -5.17508865e-04] [-4.04117712e-13 -3.82845835e-04 -5.17508865e-04] [ 1.64882072e-03 7.46271482e-13 1.64882072e-03] [ 1.64882072e-03 2.85038920e-14 -1.64882072e-03] [-1.64882072e-03 1.66823586e-13 1.64882072e-03] [-1.64882072e-03 7.23676761e-13 -1.64882072e-03] [ 5.17508865e-04 3.82845834e-04 -4.20468211e-13] [-5.17508864e-04 3.82845835e-04 -5.83479808e-13] [ 5.17508864e-04 -3.82845835e-04 -1.48780449e-13] [-5.17508864e-04 -3.82845835e-04 -3.33524007e-13]] Final stress: [ 1.06096465e-05 -8.76313178e-05 1.06096465e-05 -4.10638786e-16 -1.82875573e-17 -9.35990432e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.01750753e-03 2.79082313e-14 1.74365730e-13] [ 1.01750753e-03 1.11327614e-13 5.08759701e-14] [ 1.34433697e-13 -1.94231137e-03 4.46756347e-14] [-1.11577414e-13 1.94231138e-03 -1.18571819e-13] [ 1.99501440e-13 -1.67594671e-13 -1.01750753e-03] [ 2.08305595e-13 -1.44606549e-13 1.01750753e-03] [-1.01750753e-03 -8.03168296e-14 3.40088814e-14] [ 1.01750753e-03 -1.35891732e-13 3.59383762e-14] [-1.58188566e-13 -1.94231137e-03 -2.46247466e-13] [-1.42474140e-13 1.94231137e-03 -1.70765951e-13] [-3.71959408e-14 -2.52150982e-13 -1.01750753e-03] [-6.22839454e-14 -1.86840982e-13 1.01750753e-03] [-6.37575285e-04 2.81412863e-04 -6.37575285e-04] [ 6.37575284e-04 -2.81412863e-04 -6.37575285e-04] [ 6.37575284e-04 2.81412863e-04 6.37575285e-04] [-6.37575285e-04 -2.81412863e-04 6.37575285e-04] [-6.37575285e-04 2.81412863e-04 6.37575285e-04] [ 6.37575284e-04 -2.81412863e-04 6.37575285e-04] [-6.37575285e-04 -2.81412863e-04 -6.37575285e-04] [ 6.37575285e-04 2.81412863e-04 -6.37575285e-04] [-6.37575285e-04 2.81412863e-04 -6.37575285e-04] [ 6.37575285e-04 -2.81412864e-04 -6.37575285e-04] [ 6.37575285e-04 2.81412864e-04 6.37575285e-04] [-6.37575284e-04 -2.81412864e-04 6.37575285e-04] [-6.37575285e-04 2.81412863e-04 6.37575285e-04] [ 6.37575285e-04 -2.81412864e-04 6.37575285e-04] [-6.37575285e-04 -2.81412863e-04 -6.37575285e-04] [ 6.37575285e-04 2.81412863e-04 -6.37575285e-04] [-3.03368441e-14 -1.91596738e-13 2.30648833e-13] [ 2.37865283e-14 2.54793834e-14 -1.85899015e-13] [ 1.33115741e-13 -9.53841702e-04 1.41924769e-05] [ 1.26241032e-13 9.53841702e-04 1.41924768e-05] [ 4.53422022e-14 -9.53841703e-04 -1.41924775e-05] [ 7.16735699e-14 9.53841703e-04 -1.41924771e-05] [-1.38411942e-03 1.81743509e-13 -1.38411942e-03] [-1.38411942e-03 6.64555216e-14 1.38411942e-03] [ 1.38411942e-03 -1.81871879e-13 -1.38411942e-03] [ 1.38411942e-03 -1.58085350e-13 1.38411942e-03] [ 1.41924766e-05 -9.53841702e-04 -3.31179528e-13] [-1.41924763e-05 -9.53841702e-04 -1.58961386e-13] [ 1.41924763e-05 9.53841702e-04 -1.25847249e-13] [-1.41924762e-05 9.53841702e-04 -3.55139529e-13] [ 1.36314571e-14 -9.53841703e-04 1.41924771e-05] [-2.22275757e-13 9.53841702e-04 1.41924767e-05] [-8.65232365e-14 -9.53841702e-04 -1.41924767e-05] [-4.49688030e-14 9.53841702e-04 -1.41924767e-05] [-1.38411942e-03 5.46819687e-14 -1.38411942e-03] [-1.38411942e-03 -1.70025018e-13 1.38411942e-03] [ 1.38411942e-03 7.21081181e-15 -1.38411942e-03] [ 1.38411942e-03 6.26577783e-14 1.38411942e-03] [ 1.41924773e-05 -9.53841703e-04 1.69132223e-13] [-1.41924776e-05 -9.53841703e-04 2.41039217e-13] [ 1.41924774e-05 9.53841703e-04 3.24491864e-13] [-1.41924775e-05 9.53841703e-04 6.77058236e-14]] Final stress: [-8.77450517e-06 7.63774467e-05 -8.77450517e-06 6.15145699e-17 1.13053804e-16 -8.14652412e-17] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.93713287e-03 -4.02434596e-13 1.25652527e-13] [-1.93713287e-03 -1.09356968e-13 1.01224584e-13] [ 2.91429207e-14 1.93713287e-03 9.81454501e-14] [ 2.57294186e-14 -1.93713287e-03 4.42701431e-14] [ 2.92378968e-14 -1.41239884e-13 2.35690251e-03] [ 3.48110429e-13 -1.67005298e-13 -2.35690251e-03] [ 1.93713287e-03 -5.95066531e-14 -9.85004728e-15] [-1.93713287e-03 -2.01768290e-13 2.17865715e-13] [ 1.59279707e-13 1.93713287e-03 9.65962950e-14] [ 7.89615769e-14 -1.93713287e-03 -1.29393884e-13] [-8.72231974e-14 -1.13137634e-13 2.35690251e-03] [-2.87629295e-13 -2.33406319e-13 -2.35690251e-03] [ 6.62056421e-04 6.62056420e-04 -4.25897602e-04] [-6.62056421e-04 -6.62056420e-04 -4.25897601e-04] [-6.62056421e-04 6.62056421e-04 4.25897602e-04] [ 6.62056421e-04 -6.62056421e-04 4.25897602e-04] [ 6.62056421e-04 6.62056420e-04 4.25897602e-04] [-6.62056421e-04 -6.62056421e-04 4.25897601e-04] [ 6.62056420e-04 -6.62056420e-04 -4.25897602e-04] [-6.62056421e-04 6.62056421e-04 -4.25897602e-04] [ 6.62056421e-04 6.62056420e-04 -4.25897602e-04] [-6.62056420e-04 -6.62056421e-04 -4.25897602e-04] [-6.62056420e-04 6.62056420e-04 4.25897602e-04] [ 6.62056421e-04 -6.62056421e-04 4.25897602e-04] [ 6.62056421e-04 6.62056420e-04 4.25897602e-04] [-6.62056420e-04 -6.62056421e-04 4.25897602e-04] [ 6.62056421e-04 -6.62056421e-04 -4.25897602e-04] [-6.62056420e-04 6.62056421e-04 -4.25897602e-04] [-3.11556336e-13 -1.74943393e-13 -5.28938005e-13] [ 2.31148000e-13 2.40291711e-13 -1.96088248e-14] [ 1.32116540e-13 5.17698123e-04 3.75529335e-04] [ 2.45097345e-13 -5.17698123e-04 3.75529334e-04] [-5.92022958e-13 5.17698124e-04 -3.75529334e-04] [-4.41723047e-13 -5.17698124e-04 -3.75529334e-04] [ 5.17698123e-04 7.92699240e-14 3.75529335e-04] [ 5.17698122e-04 -6.31210362e-13 -3.75529335e-04] [-5.17698122e-04 3.64137540e-13 3.75529336e-04] [-5.17698123e-04 2.41126563e-14 -3.75529335e-04] [ 1.62357436e-03 1.62357436e-03 -5.69100322e-13] [-1.62357436e-03 1.62357436e-03 1.63896674e-13] [ 1.62357436e-03 -1.62357436e-03 -7.88778765e-14] [-1.62357436e-03 -1.62357436e-03 7.36719713e-14] [ 2.03225891e-13 5.17698123e-04 3.75529335e-04] [ 1.92684844e-13 -5.17698122e-04 3.75529335e-04] [-4.95037171e-13 5.17698123e-04 -3.75529336e-04] [-2.85734544e-13 -5.17698123e-04 -3.75529334e-04] [ 5.17698124e-04 3.61224730e-13 3.75529334e-04] [ 5.17698123e-04 3.54441520e-13 -3.75529335e-04] [-5.17698123e-04 3.33045223e-13 3.75529335e-04] [-5.17698124e-04 4.19256643e-13 -3.75529334e-04] [ 1.62357436e-03 1.62357436e-03 -2.20499022e-13] [-1.62357436e-03 1.62357436e-03 -1.15112496e-13] [ 1.62357436e-03 -1.62357436e-03 -5.35319740e-13] [-1.62357436e-03 -1.62357436e-03 -3.39271580e-13]] Final stress: [ 1.03966456e-05 1.03966456e-05 -8.61281311e-05 2.56025802e-16 -3.07563463e-16 -2.16125677e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.23200814e-03 -1.23537031e-13 1.40191244e-13] [ 1.23200814e-03 -1.61093361e-13 6.58084698e-14] [ 8.37871439e-15 -1.23200814e-03 4.83901114e-15] [ 1.03195230e-13 1.23200814e-03 -2.36449749e-13] [-4.93099485e-14 -4.38156456e-13 -2.32250134e-03] [-2.77555756e-16 -3.10779180e-13 2.32250134e-03] [-1.23200814e-03 -2.88000960e-13 2.91010390e-13] [ 1.23200814e-03 3.70944594e-14 -6.46895273e-14] [ 5.92408067e-14 -1.23200814e-03 1.76753321e-14] [-1.26058018e-14 1.23200814e-03 -4.49199886e-13] [-4.85054705e-14 -1.28894130e-13 -2.32250134e-03] [-1.22126267e-13 -2.80064825e-13 2.32250134e-03] [-7.66347996e-04 -7.66347996e-04 3.39726796e-04] [ 7.66347995e-04 7.66347996e-04 3.39726796e-04] [ 7.66347995e-04 -7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 -7.66347996e-04 -3.39726796e-04] [ 7.66347995e-04 7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 7.66347996e-04 3.39726796e-04] [ 7.66347996e-04 -7.66347996e-04 3.39726796e-04] [-7.66347996e-04 -7.66347996e-04 3.39726796e-04] [ 7.66347996e-04 7.66347996e-04 3.39726796e-04] [ 7.66347996e-04 -7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 -7.66347996e-04 -3.39726796e-04] [ 7.66347996e-04 7.66347996e-04 -3.39726796e-04] [-7.66347996e-04 7.66347996e-04 3.39726796e-04] [ 7.66347996e-04 -7.66347996e-04 3.39726796e-04] [ 2.35506059e-13 -2.00756078e-13 -2.78665979e-14] [-2.23635346e-13 -1.70518432e-13 -2.96506134e-13] [-1.33226763e-15 6.79352849e-06 -1.13621971e-03] [ 1.01741532e-14 -6.79352853e-06 -1.13621971e-03] [-1.01507344e-13 6.79352859e-06 1.13621971e-03] [ 3.17471743e-13 -6.79352798e-06 1.13621971e-03] [ 6.79352718e-06 -9.42579348e-14 -1.13621971e-03] [ 6.79352686e-06 1.76149026e-13 1.13621971e-03] [-6.79352724e-06 2.76495840e-13 -1.13621971e-03] [-6.79352724e-06 1.34219025e-13 1.13621971e-03] [-1.67175315e-03 -1.67175315e-03 4.17443857e-14] [ 1.67175315e-03 -1.67175315e-03 -5.00727931e-14] [-1.67175315e-03 1.67175315e-03 -6.48196774e-14] [ 1.67175315e-03 1.67175315e-03 1.94342806e-13] [ 1.77062792e-13 6.79352718e-06 -1.13621971e-03] [-9.57103320e-14 -6.79352707e-06 -1.13621971e-03] [ 1.46187749e-13 6.79352704e-06 1.13621971e-03] [ 1.32780939e-13 -6.79352664e-06 1.13621971e-03] [ 6.79352868e-06 -8.66103479e-14 -1.13621971e-03] [ 6.79352875e-06 -1.19507919e-13 1.13621971e-03] [-6.79352866e-06 7.02576018e-14 -1.13621971e-03] [-6.79352831e-06 4.84183006e-14 1.13621971e-03] [-1.67175315e-03 -1.67175315e-03 -8.26068425e-14] [ 1.67175315e-03 -1.67175315e-03 3.78178798e-14] [-1.67175315e-03 1.67175315e-03 -5.44002506e-14] [ 1.67175315e-03 1.67175315e-03 -2.13501092e-15]] Final stress: [-9.22104181e-06 -9.22104181e-06 9.20300964e-05 3.22535853e-16 6.65022378e-16 -4.32264545e-16] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.83960986e-03 -8.06569221e-13 1.11108171e-13] [-1.83960986e-03 -1.32005518e-13 -1.93317584e-13] [ 8.66889026e-14 7.51218823e-04 -4.27229866e-13] [ 2.33757458e-13 -7.51218824e-04 -2.03170814e-13] [-1.38873288e-14 -5.68882615e-13 7.51218824e-04] [-3.16413562e-14 -1.89126492e-13 -7.51218825e-04] [ 1.83960986e-03 1.27905499e-14 -8.47592777e-14] [-1.83960986e-03 3.62583227e-14 1.51206663e-13] [ 2.91047568e-14 7.51218824e-04 -5.03343785e-13] [ 2.93150920e-14 -7.51218824e-04 -2.92002040e-13] [ 1.07819569e-13 5.04739102e-14 7.51218824e-04] [ 8.51489018e-15 -4.45725796e-13 -7.51218823e-04] [-2.15728785e-04 6.97834059e-04 6.97834060e-04] [ 2.15728785e-04 -6.97834059e-04 6.97834059e-04] [ 2.15728784e-04 6.97834059e-04 -6.97834060e-04] [-2.15728785e-04 -6.97834059e-04 -6.97834059e-04] [-2.15728784e-04 6.97834060e-04 -6.97834060e-04] [ 2.15728784e-04 -6.97834059e-04 -6.97834060e-04] [-2.15728785e-04 -6.97834058e-04 6.97834059e-04] [ 2.15728784e-04 6.97834060e-04 6.97834059e-04] [-2.15728785e-04 6.97834060e-04 6.97834060e-04] [ 2.15728785e-04 -6.97834060e-04 6.97834060e-04] [ 2.15728785e-04 6.97834060e-04 -6.97834059e-04] [-2.15728785e-04 -6.97834060e-04 -6.97834059e-04] [-2.15728785e-04 6.97834059e-04 -6.97834059e-04] [ 2.15728785e-04 -6.97834060e-04 -6.97834058e-04] [-2.15728785e-04 -6.97834060e-04 6.97834060e-04] [ 2.15728785e-04 6.97834059e-04 6.97834059e-04] [ 9.61730695e-14 -3.10224069e-13 -1.15324417e-13] [ 1.17846705e-13 -7.49064554e-13 -5.89674381e-14] [ 5.48672219e-13 1.61131200e-03 1.61131200e-03] [ 6.65998506e-13 -1.61131200e-03 1.61131200e-03] [-3.74741904e-13 1.61131200e-03 -1.61131200e-03] [ 1.05411166e-12 -1.61131200e-03 -1.61131200e-03] [ 1.72203763e-03 4.81170659e-13 -3.22472274e-04] [ 1.72203763e-03 -4.75487705e-14 3.22472275e-04] [-1.72203763e-03 3.77475828e-14 -3.22472274e-04] [-1.72203763e-03 1.80487569e-13 3.22472274e-04] [ 1.72203763e-03 -3.22472274e-04 -1.98729921e-13] [-1.72203763e-03 -3.22472273e-04 -3.62434041e-13] [ 1.72203763e-03 3.22472275e-04 8.32955233e-13] [-1.72203763e-03 3.22472274e-04 6.02247419e-13] [-1.78819633e-13 1.61131200e-03 1.61131200e-03] [-9.64211783e-13 -1.61131200e-03 1.61131200e-03] [-2.26052250e-13 1.61131200e-03 -1.61131200e-03] [-8.03209929e-13 -1.61131200e-03 -1.61131200e-03] [ 1.72203763e-03 5.45146342e-15 -3.22472274e-04] [ 1.72203763e-03 8.42787862e-13 3.22472273e-04] [-1.72203763e-03 5.63798140e-13 -3.22472275e-04] [-1.72203763e-03 5.00877118e-13 3.22472274e-04] [ 1.72203763e-03 -3.22472274e-04 -5.12279778e-13] [-1.72203763e-03 -3.22472274e-04 -1.87063106e-13] [ 1.72203763e-03 3.22472275e-04 -7.04462354e-13] [-1.72203763e-03 3.22472275e-04 -9.05635376e-13]] Final stress: [-8.92752582e-05 4.82771790e-06 4.82771790e-06 -7.11556300e-16 -3.49128091e-16 -6.56693315e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.68971536e-04 -1.05452539e-13 4.06155144e-14] [ 7.68971535e-04 -6.37268016e-14 6.93611835e-14] [ 1.91179537e-14 -5.91367910e-04 7.44066267e-14] [-4.44644321e-14 5.91367911e-04 3.17801341e-14] [-5.17368266e-14 2.44769482e-15 -5.91367910e-04] [-4.00790512e-14 -1.42746925e-13 5.91367910e-04] [-7.68971536e-04 -6.76021739e-15 1.43010941e-13] [ 7.68971536e-04 -2.76384818e-14 -1.53278455e-14] [-1.44281288e-14 -5.91367910e-04 -1.44742228e-14] [-5.84515075e-14 5.91367910e-04 -2.00417739e-14] [-6.72170652e-14 -8.70329749e-14 -5.91367910e-04] [-3.66213136e-14 -8.34324890e-14 5.91367910e-04] [ 1.36119991e-04 -1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 -1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 -1.92549472e-04 1.92549472e-04] [-1.36119991e-04 1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 -1.92549472e-04 -1.92549472e-04] [ 1.36119991e-04 -1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 -1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 -1.92549472e-04 1.92549472e-04] [-1.36119991e-04 1.92549472e-04 1.92549472e-04] [ 1.36119991e-04 1.92549472e-04 -1.92549472e-04] [-1.36119991e-04 -1.92549472e-04 -1.92549472e-04] [ 3.09752224e-13 -1.64951386e-13 7.74658115e-14] [-2.94633675e-13 -1.47856337e-13 -1.53305846e-13] [-1.05360165e-13 -4.16586529e-04 -4.16586529e-04] [-1.06917947e-13 4.16586528e-04 -4.16586529e-04] [-1.90059773e-13 -4.16586529e-04 4.16586528e-04] [-2.01037104e-13 4.16586529e-04 4.16586529e-04] [ 4.88463702e-05 -1.39888101e-13 -1.99472584e-04] [ 4.88463700e-05 -9.50003964e-14 1.99472584e-04] [-4.88463707e-05 -8.12822032e-14 -1.99472585e-04] [-4.88463704e-05 -1.86968496e-13 1.99472585e-04] [ 4.88463700e-05 -1.99472584e-04 -1.02917674e-13] [-4.88463703e-05 -1.99472584e-04 -1.04118103e-13] [ 4.88463698e-05 1.99472584e-04 -1.94474645e-13] [-4.88463701e-05 1.99472584e-04 -5.32993788e-14] [ 3.13077689e-13 -4.16586529e-04 -4.16586529e-04] [ 2.16741555e-13 4.16586529e-04 -4.16586529e-04] [ 2.37968499e-13 -4.16586528e-04 4.16586529e-04] [ 1.77628745e-13 4.16586529e-04 4.16586529e-04] [ 4.88463703e-05 -2.77169755e-14 -1.99472584e-04] [ 4.88463704e-05 1.09768531e-13 1.99472585e-04] [-4.88463698e-05 1.89200218e-13 -1.99472584e-04] [-4.88463702e-05 5.64812953e-14 1.99472584e-04] [ 4.88463705e-05 -1.99472585e-04 7.25100311e-14] [-4.88463699e-05 -1.99472584e-04 8.97094390e-14] [ 4.88463708e-05 1.99472585e-04 2.40211429e-13] [-4.88463703e-05 1.99472584e-04 2.02102224e-13]] Final stress: [ 2.26165332e-05 -5.82154664e-06 -5.82154664e-06 2.97595811e-16 1.76229922e-16 -1.23028436e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.40207070e-04 -6.68874244e-13 -3.02225259e-13] [-5.40207070e-04 -5.65103520e-13 5.11146681e-13] [-1.98513081e-13 2.14801287e-03 -6.69733366e-15] [-2.21767049e-14 -2.14801287e-03 9.95314942e-14] [ 6.58222175e-13 -5.73742876e-13 5.40207069e-04] [ 1.17711396e-13 -1.66811009e-14 -5.40207070e-04] [ 5.40207069e-04 -4.42291603e-13 1.98575272e-13] [-5.40207068e-04 1.92857882e-15 -4.37684431e-13] [-1.36946444e-13 2.14801287e-03 1.53454665e-13] [ 4.23983765e-14 -2.14801287e-03 -7.96683337e-14] [-4.53122782e-14 1.31541974e-13 5.40207068e-04] [-4.23580442e-14 -2.55263340e-13 -5.40207068e-04] [ 9.04841665e-04 -1.74457926e-04 9.04841665e-04] [-9.04841665e-04 1.74457926e-04 9.04841665e-04] [-9.04841666e-04 -1.74457926e-04 -9.04841666e-04] [ 9.04841666e-04 1.74457926e-04 -9.04841665e-04] [ 9.04841665e-04 -1.74457926e-04 -9.04841665e-04] [-9.04841665e-04 1.74457925e-04 -9.04841666e-04] [ 9.04841664e-04 1.74457926e-04 9.04841665e-04] [-9.04841666e-04 -1.74457926e-04 9.04841665e-04] [ 9.04841664e-04 -1.74457925e-04 9.04841665e-04] [-9.04841665e-04 1.74457925e-04 9.04841664e-04] [-9.04841664e-04 -1.74457925e-04 -9.04841664e-04] [ 9.04841665e-04 1.74457925e-04 -9.04841665e-04] [ 9.04841664e-04 -1.74457926e-04 -9.04841665e-04] [-9.04841664e-04 1.74457925e-04 -9.04841664e-04] [ 9.04841665e-04 1.74457925e-04 9.04841664e-04] [-9.04841664e-04 -1.74457926e-04 9.04841665e-04] [-1.85934601e-13 1.18272059e-12 1.51600954e-13] [ 6.31083727e-14 -2.80935028e-13 -1.22729609e-12] [ 8.96505092e-13 2.37959800e-03 -3.72543803e-04] [ 5.62602048e-13 -2.37959800e-03 -3.72543803e-04] [-2.52957377e-14 2.37959800e-03 3.72543805e-04] [ 1.20017885e-12 -2.37959800e-03 3.72543804e-04] [ 2.08525136e-03 1.64757097e-13 2.08525136e-03] [ 2.08525137e-03 5.69464614e-13 -2.08525136e-03] [-2.08525136e-03 5.22706878e-13 2.08525137e-03] [-2.08525137e-03 -3.50131382e-13 -2.08525136e-03] [-3.72543804e-04 2.37959800e-03 1.28896893e-13] [ 3.72543804e-04 2.37959800e-03 -4.55677163e-14] [-3.72543804e-04 -2.37959800e-03 6.27485910e-13] [ 3.72543803e-04 -2.37959800e-03 2.87870422e-13] [ 6.39371368e-14 2.37959800e-03 -3.72543803e-04] [ 9.16766663e-14 -2.37959800e-03 -3.72543804e-04] [-6.66149861e-13 2.37959800e-03 3.72543803e-04] [-8.10408164e-13 -2.37959800e-03 3.72543804e-04] [ 2.08525136e-03 -5.44759926e-14 2.08525136e-03] [ 2.08525136e-03 -8.00095667e-14 -2.08525136e-03] [-2.08525137e-03 1.44469939e-13 2.08525136e-03] [-2.08525136e-03 3.39097240e-13 -2.08525136e-03] [-3.72543803e-04 2.37959800e-03 -1.22828014e-12] [ 3.72543802e-04 2.37959800e-03 -6.99575092e-13] [-3.72543803e-04 -2.37959800e-03 -1.66455030e-12] [ 3.72543802e-04 -2.37959800e-03 -1.44991701e-12]] Final stress: [ 2.94292932e-06 -1.14581916e-04 2.94292932e-06 -4.23941254e-16 9.24358184e-16 -1.11388486e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.56244425e-04 -8.37563525e-14 -5.08265305e-14] [ 3.56244425e-04 5.57887070e-14 -2.19269047e-15] [-4.99942969e-14 -5.24812069e-04 6.52524909e-14] [-3.86357613e-14 5.24812069e-04 -1.59039448e-14] [ 2.49062923e-14 5.49907342e-16 -3.56244425e-04] [ 4.56579219e-14 -4.10782519e-14 3.56244425e-04] [-3.56244425e-04 -6.03471266e-14 1.06182368e-13] [ 3.56244425e-04 -7.91545648e-14 5.77276398e-15] [-6.04282249e-14 -5.24812068e-04 -3.03525181e-14] [ 2.65881067e-14 5.24812068e-04 -2.85374259e-14] [-6.87653059e-14 -5.96608131e-14 -3.56244425e-04] [-2.27925318e-14 -9.47121569e-14 3.56244425e-04] [-1.55332367e-04 8.18913598e-05 -1.55332367e-04] [ 1.55332367e-04 -8.18913597e-05 -1.55332367e-04] [ 1.55332367e-04 8.18913599e-05 1.55332367e-04] [-1.55332367e-04 -8.18913597e-05 1.55332367e-04] [-1.55332367e-04 8.18913597e-05 1.55332367e-04] [ 1.55332367e-04 -8.18913598e-05 1.55332367e-04] [-1.55332367e-04 -8.18913597e-05 -1.55332367e-04] [ 1.55332367e-04 8.18913598e-05 -1.55332367e-04] [-1.55332367e-04 8.18913598e-05 -1.55332367e-04] [ 1.55332367e-04 -8.18913600e-05 -1.55332367e-04] [ 1.55332367e-04 8.18913599e-05 1.55332367e-04] [-1.55332367e-04 -8.18913599e-05 1.55332367e-04] [-1.55332367e-04 8.18913598e-05 1.55332367e-04] [ 1.55332367e-04 -8.18913598e-05 1.55332367e-04] [-1.55332367e-04 -8.18913599e-05 -1.55332367e-04] [ 1.55332367e-04 8.18913599e-05 -1.55332367e-04] [-6.48925358e-14 -1.06914477e-13 -7.28583860e-14] [-1.15463195e-13 9.65987353e-14 -1.95788696e-13] [ 4.90718577e-14 -1.87011818e-04 -3.37487837e-05] [ 1.46931078e-15 1.87011818e-04 -3.37487838e-05] [-3.32910782e-14 -1.87011818e-04 3.37487838e-05] [ 8.91595825e-14 1.87011818e-04 3.37487838e-05] [-3.53045198e-04 5.77315973e-15 -3.53045198e-04] [-3.53045198e-04 5.77576181e-14 3.53045198e-04] [ 3.53045198e-04 1.08480933e-13 -3.53045198e-04] [ 3.53045198e-04 -8.93261159e-14 3.53045198e-04] [-3.37487840e-05 -1.87011818e-04 8.89288643e-14] [ 3.37487842e-05 -1.87011818e-04 -8.76035355e-15] [-3.37487842e-05 1.87011818e-04 -6.68042011e-14] [ 3.37487842e-05 1.87011818e-04 -6.14334972e-14] [ 8.78611420e-14 -1.87011818e-04 -3.37487838e-05] [-3.79648570e-14 1.87011818e-04 -3.37487840e-05] [-1.16307138e-13 -1.87011818e-04 3.37487841e-05] [-1.13086190e-13 1.87011818e-04 3.37487840e-05] [-3.53045198e-04 -5.24491259e-14 -3.53045198e-04] [-3.53045198e-04 7.61051378e-14 3.53045198e-04] [ 3.53045198e-04 4.63813016e-14 -3.53045198e-04] [ 3.53045198e-04 7.33354349e-16 3.53045198e-04] [-3.37487835e-05 -1.87011818e-04 -8.72532166e-14] [ 3.37487836e-05 -1.87011818e-04 -5.78722691e-14] [-3.37487837e-05 1.87011818e-04 -9.64471829e-14] [ 3.37487835e-05 1.87011818e-04 -5.92251942e-14]] Final stress: [-4.23067416e-06 1.81406397e-05 -4.23067416e-06 2.32756500e-16 6.15142179e-17 -3.19208915e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.73166486e-04 -2.93886009e-13 1.28322266e-13] [-5.73166486e-04 -3.53800322e-13 8.39051051e-14] [ 4.79747318e-13 5.73166485e-04 1.47670071e-13] [ 7.72326647e-13 -5.73166486e-04 -3.92963440e-13] [ 1.13862478e-13 -3.97835410e-13 2.23091464e-03] [ 2.91100477e-13 -6.90419943e-13 -2.23091463e-03] [ 5.73166486e-04 -2.75177450e-13 1.19661453e-13] [-5.73166485e-04 -1.21219874e-13 -2.87296217e-14] [ 1.72634476e-13 5.73166486e-04 4.40861489e-13] [ 1.50916172e-13 -5.73166487e-04 9.43785111e-14] [ 3.65402153e-13 -3.50750306e-13 2.23091463e-03] [-7.81134272e-13 -7.39290642e-13 -2.23091463e-03] [ 9.33874360e-04 9.33874360e-04 -1.83425340e-04] [-9.33874360e-04 -9.33874360e-04 -1.83425340e-04] [-9.33874361e-04 9.33874360e-04 1.83425338e-04] [ 9.33874361e-04 -9.33874359e-04 1.83425339e-04] [ 9.33874360e-04 9.33874360e-04 1.83425338e-04] [-9.33874361e-04 -9.33874359e-04 1.83425340e-04] [ 9.33874359e-04 -9.33874360e-04 -1.83425340e-04] [-9.33874361e-04 9.33874360e-04 -1.83425340e-04] [ 9.33874359e-04 9.33874360e-04 -1.83425339e-04] [-9.33874360e-04 -9.33874361e-04 -1.83425340e-04] [-9.33874359e-04 9.33874360e-04 1.83425340e-04] [ 9.33874360e-04 -9.33874361e-04 1.83425340e-04] [ 9.33874359e-04 9.33874361e-04 1.83425339e-04] [-9.33874359e-04 -9.33874360e-04 1.83425340e-04] [ 9.33874359e-04 -9.33874361e-04 -1.83425340e-04] [-9.33874359e-04 9.33874360e-04 -1.83425340e-04] [-3.95905531e-13 5.08842968e-13 -8.81628104e-13] [-1.46583700e-13 6.43874414e-13 -6.23989811e-14] [-9.30366895e-14 -4.27426070e-04 2.49849780e-03] [ 1.55555777e-12 4.27426070e-04 2.49849780e-03] [ 8.01478675e-13 -4.27426070e-04 -2.49849780e-03] [ 7.79497994e-14 4.27426070e-04 -2.49849780e-03] [-4.27426070e-04 -1.01951780e-12 2.49849780e-03] [-4.27426068e-04 3.24991770e-13 -2.49849780e-03] [ 4.27426070e-04 1.19181574e-12 2.49849780e-03] [ 4.27426069e-04 -1.36501921e-12 -2.49849780e-03] [ 2.14877547e-03 2.14877547e-03 -1.50202073e-12] [-2.14877547e-03 2.14877547e-03 -8.63996374e-14] [ 2.14877547e-03 -2.14877547e-03 -5.74217757e-13] [-2.14877547e-03 -2.14877547e-03 9.90742210e-13] [-2.81933765e-13 -4.27426068e-04 2.49849780e-03] [-9.70129792e-13 4.27426070e-04 2.49849780e-03] [-7.42275599e-13 -4.27426070e-04 -2.49849780e-03] [ 8.18497180e-13 4.27426070e-04 -2.49849780e-03] [-4.27426069e-04 1.09856066e-12 2.49849780e-03] [-4.27426069e-04 9.78943272e-13 -2.49849780e-03] [ 4.27426068e-04 2.41969205e-13 2.49849780e-03] [ 4.27426068e-04 8.55259873e-13 -2.49849780e-03] [ 2.14877547e-03 2.14877547e-03 -5.00942412e-13] [-2.14877547e-03 2.14877547e-03 -7.53639311e-13] [ 2.14877547e-03 -2.14877547e-03 -1.59297474e-12] [-2.14877547e-03 -2.14877547e-03 -6.46106432e-14]] Final stress: [ 3.10120914e-06 3.10120915e-06 -1.18516381e-04 2.93932603e-15 1.72070274e-15 -6.45055711e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.03143137e-04 -4.15045602e-14 6.73116077e-14] [ 3.03143136e-04 -8.32667268e-15 4.44921877e-14] [ 7.21514862e-15 -3.03143136e-04 -1.17666293e-14] [ 1.00197628e-13 3.03143137e-04 5.29576383e-14] [ 2.85795693e-14 -1.05302052e-13 -5.46046397e-04] [-2.46191956e-14 -1.27592381e-13 5.46046397e-04] [-3.03143136e-04 -5.00576143e-14 6.69659923e-14] [ 3.03143137e-04 5.42422010e-14 -4.51440226e-14] [-5.18990233e-14 -3.03143137e-04 -1.67104613e-14] [ 6.68692532e-15 3.03143136e-04 -8.55217234e-14] [-6.56115787e-14 -4.35779711e-14 -5.46046397e-04] [-3.54729267e-14 -1.48861290e-14 5.46046397e-04] [-1.58087858e-04 -1.58087858e-04 8.05972019e-05] [ 1.58087858e-04 1.58087858e-04 8.05972019e-05] [ 1.58087859e-04 -1.58087859e-04 -8.05972018e-05] [-1.58087858e-04 1.58087859e-04 -8.05972020e-05] [-1.58087858e-04 -1.58087859e-04 -8.05972020e-05] [ 1.58087858e-04 1.58087859e-04 -8.05972018e-05] [-1.58087858e-04 1.58087858e-04 8.05972020e-05] [ 1.58087858e-04 -1.58087858e-04 8.05972018e-05] [-1.58087858e-04 -1.58087858e-04 8.05972019e-05] [ 1.58087859e-04 1.58087858e-04 8.05972019e-05] [ 1.58087858e-04 -1.58087858e-04 -8.05972019e-05] [-1.58087858e-04 1.58087858e-04 -8.05972018e-05] [-1.58087858e-04 -1.58087858e-04 -8.05972020e-05] [ 1.58087858e-04 1.58087858e-04 -8.05972018e-05] [-1.58087859e-04 1.58087859e-04 8.05972018e-05] [ 1.58087859e-04 -1.58087858e-04 8.05972019e-05] [ 3.39839268e-13 -3.00676151e-13 2.91849878e-13] [-3.12152214e-13 4.82013486e-14 -3.06686067e-13] [-1.51878510e-13 -7.36034144e-05 -1.02637266e-04] [-3.57817942e-13 7.36034147e-05 -1.02637265e-04] [-4.26048086e-15 -7.36034149e-05 1.02637265e-04] [-1.74200931e-14 7.36034154e-05 1.02637265e-04] [-7.36034157e-05 1.75637282e-13 -1.02637265e-04] [-7.36034157e-05 2.16401549e-13 1.02637265e-04] [ 7.36034156e-05 1.74374404e-13 -1.02637265e-04] [ 7.36034156e-05 3.84508397e-13 1.02637265e-04] [-3.22078747e-04 -3.22078746e-04 1.41775480e-13] [ 3.22078747e-04 -3.22078747e-04 -1.66805805e-13] [-3.22078746e-04 3.22078747e-04 -5.30044758e-14] [ 3.22078746e-04 3.22078747e-04 -1.94606484e-13] [ 7.41594286e-14 -7.36034159e-05 -1.02637264e-04] [ 1.78375110e-13 7.36034149e-05 -1.02637265e-04] [ 8.20003787e-14 -7.36034158e-05 1.02637264e-04] [ 3.59998489e-14 7.36034153e-05 1.02637265e-04] [-7.36034152e-05 -3.52269434e-13 -1.02637265e-04] [-7.36034145e-05 -2.79643062e-13 1.02637266e-04] [ 7.36034153e-05 -4.11669396e-13 -1.02637265e-04] [ 7.36034150e-05 -4.43096948e-13 1.02637265e-04] [-3.22078747e-04 -3.22078747e-04 1.08591642e-13] [ 3.22078747e-04 -3.22078746e-04 2.54764698e-13] [-3.22078747e-04 3.22078746e-04 1.91354938e-13] [ 3.22078747e-04 3.22078746e-04 1.40505229e-13]] Final stress: [-4.96670367e-06 -4.96670367e-06 1.78041393e-05 -3.65760215e-17 2.26106315e-16 -3.22534008e-16] Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Minimization converged after 0 steps. Summary of completed elastic constants calculation: Method: stress-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0.13684 0.36671 0.36671 -0. 0. 0. ] [ 0.36671 0.13684 0.36671 0. -0. -0. ] [ 0.36671 0.36671 0.13684 -0. 0. -0. ] [-0. 0. -0. 0.25504 -0. -0. ] [ 0. -0. 0. -0. 0.25504 -0. ] [ 0. -0. -0. -0. -0. 0.25504]] 95%% Error estimate [ASE units]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[21.92394 58.75277 58.75277 -0. 0. 0. ] [58.75277 21.92394 58.75277 0. -0. -0. ] [58.75277 58.75277 21.92394 -0. 0. -0. ] [-0. 0. -0. 40.86128 -0. -0. ] [ 0. -0. 0. -0. 40.86128 -0. ] [ 0. -0. -0. -0. -0. 40.86128]] 95 %% Error estimate [GPa]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 46.47649 Unique elastic constants for space group 229 [GPa] ['c11', 'c12', 'c44'] [21.92393986507039, 58.75277051208837, 40.86128230379304] WARNING: Nearest isotropic state not computed.