Model name? LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Stoichiometric species (literal list of strings)? ['Al', 'Cu', 'Mg'] Prototype label? A2BC_oC16_63_f_c_c 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': 4.2383e-10, 'parameter-names.source-value': ['b/a', 'c/a', 'y1', 'y2', 'y3', 'z3'], 'parameter-values.source-value': [1.5891749, 1.5551046, 0.56860721, 0.91744719, 0.76623578, 0.92530298], 'meta.uuid': 'TE_361486192722_001-and-MO_959249795837_003-1711747538-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Cu', 'Mg'] representative atom coordinates = [[0. 0.76623578 0.92530298] [0. 0.56860721 0.25 ] [0. 0.91744719 0.25 ]] spacegroup = 63 cell = [[4.2383, 0, 0], [0, 6.7354, 0], [0, 0, 6.591]] ========================================= 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 4 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 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 3 steps. Final forces: [[ 2.06580730e-11 -1.81922114e+00 1.97207401e+00] [-5.21156237e-11 -2.41241278e+00 8.28398737e-01] [-3.78848581e-11 2.41241278e+00 -8.28398737e-01] [ 1.95800060e-11 1.81922114e+00 -1.97207401e+00] [-2.12241390e-11 -1.81922114e+00 1.97207401e+00] [ 4.15058036e-11 -2.41241278e+00 8.28398737e-01] [ 4.42494174e-11 2.41241278e+00 -8.28398737e-01] [-2.02819879e-11 1.81922114e+00 -1.97207401e+00] [-1.35178010e-11 5.52488718e-02 -1.53710172e+00] [ 2.70287421e-11 -5.52488718e-02 1.53710172e+00] [-1.52304391e-11 5.52488718e-02 -1.53710172e+00] [-1.94198195e-11 -5.52488718e-02 1.53710172e+00] [ 2.24554737e-11 -2.76685793e+00 -8.87500912e-01] [ 2.44398990e-11 2.76685793e+00 8.87500912e-01] [ 5.87445316e-12 -2.76685793e+00 -8.87500912e-01] [-2.61151379e-11 2.76685793e+00 8.87500912e-01]] Final stress: [-4.71321802e-04 2.28074346e-02 -2.80422637e-02 -3.36006274e-01 -4.14710059e-14 9.96813199e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.85618097e-11 2.41241196e+00 8.28397133e-01] [-4.77493195e-11 1.81922078e+00 1.97207154e+00] [-2.83668295e-11 -1.81922078e+00 -1.97207154e+00] [-3.69620185e-11 -2.41241196e+00 -8.28397133e-01] [ 3.39012472e-11 2.41241196e+00 8.28397133e-01] [ 2.77485908e-11 1.81922078e+00 1.97207154e+00] [ 4.55147118e-11 -1.81922078e+00 -1.97207154e+00] [ 3.98966029e-11 -2.41241196e+00 -8.28397133e-01] [-5.35807405e-11 5.52476844e-02 1.53710109e+00] [-7.76124998e-12 -5.52476843e-02 -1.53710109e+00] [-1.62870133e-11 5.52476843e-02 1.53710109e+00] [-2.19078184e-11 -5.52476843e-02 -1.53710109e+00] [ 1.97073018e-11 -2.76685546e+00 8.87500416e-01] [ 2.25562129e-11 2.76685546e+00 -8.87500416e-01] [ 4.38903250e-11 -2.76685546e+00 8.87500416e-01] [ 7.96228345e-12 2.76685546e+00 -8.87500416e-01]] Final stress: [-4.71317544e-04 2.28074243e-02 -2.80422363e-02 3.36006158e-01 -7.67005553e-14 1.00538813e-13] Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.20075843e-11 -2.59755201e-01 6.39950559e-01] [-1.29005981e-11 -8.15155909e-01 5.12239158e-01] [-1.29402676e-11 8.15155909e-01 -5.12239158e-01] [-1.31446598e-11 2.59755201e-01 -6.39950559e-01] [ 1.29629207e-11 -2.59755201e-01 6.39950559e-01] [ 1.25683231e-11 -8.15155909e-01 5.12239158e-01] [ 1.26114805e-11 8.15155909e-01 -5.12239158e-01] [ 1.17546827e-11 2.59755201e-01 -6.39950559e-01] [-3.46208414e-12 1.19668622e-01 -2.52507040e-01] [-4.65213718e-12 -1.19668622e-01 2.52507040e-01] [ 6.66650914e-12 1.19668622e-01 -2.52507040e-01] [ 6.03902301e-12 -1.19668622e-01 2.52507040e-01] [-5.33482026e-12 2.38566925e-01 -6.07177332e-02] [-4.84107887e-12 -2.38566925e-01 6.07177332e-02] [ 2.85074027e-12 2.38566925e-01 -6.07177332e-02] [ 3.83400969e-12 -2.38566925e-01 6.07177332e-02]] Final stress: [ 1.06291167e-02 -8.36402723e-03 -1.58174933e-02 -6.59552387e-02 5.30711112e-15 -8.32963585e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.16426121e-11 8.15155909e-01 5.12239158e-01] [-1.15444754e-11 2.59755201e-01 6.39950559e-01] [-9.72455872e-12 -2.59755201e-01 -6.39950559e-01] [-1.12575921e-11 -8.15155909e-01 -5.12239158e-01] [ 1.08350666e-11 8.15155909e-01 5.12239158e-01] [ 9.92654049e-12 2.59755201e-01 6.39950559e-01] [ 1.12592368e-11 -2.59755201e-01 -6.39950559e-01] [ 1.19356784e-11 -8.15155909e-01 -5.12239158e-01] [-6.04359293e-12 1.19668622e-01 2.52507040e-01] [-4.11338845e-12 -1.19668622e-01 -2.52507040e-01] [ 6.88080972e-12 1.19668622e-01 2.52507040e-01] [ 4.54635071e-12 -1.19668622e-01 -2.52507040e-01] [-5.62913778e-12 2.38566925e-01 6.07177332e-02] [-3.73669563e-12 -2.38566925e-01 -6.07177332e-02] [ 4.97755259e-12 2.38566925e-01 6.07177332e-02] [ 3.34176653e-12 -2.38566925e-01 -6.07177332e-02]] Final stress: [ 1.06291167e-02 -8.36402723e-03 -1.58174933e-02 6.59552387e-02 -1.07317676e-14 -2.29842286e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.33959086e-12 -4.58339384e-01 -9.84433109e-02] [-4.05508981e-12 -1.49268595e-01 -8.69309488e-02] [-1.08470339e-11 1.49268595e-01 8.69309488e-02] [-3.54205120e-12 4.58339384e-01 9.84433109e-02] [ 3.68359954e-12 -4.58339384e-01 -9.84433109e-02] [ 1.08414324e-11 -1.49268595e-01 -8.69309488e-02] [ 4.24252929e-12 1.49268595e-01 8.69309488e-02] [ 5.40955041e-12 4.58339384e-01 9.84433109e-02] [-2.83829254e-12 2.85146741e-02 -1.28132549e-01] [-3.82405219e-12 -2.85146741e-02 1.28132549e-01] [ 1.95151122e-12 2.85146741e-02 -1.28132549e-01] [ 4.82788419e-12 -2.85146741e-02 1.28132549e-01] [-1.96224547e-12 -3.09675529e-01 -3.29030451e-02] [-3.74591487e-12 3.09675529e-01 3.29030451e-02] [ 1.82660061e-12 -3.09675529e-01 -3.29030451e-02] [ 3.38312652e-12 3.09675529e-01 3.29030451e-02]] Final stress: [-3.97539208e-03 5.47141717e-03 5.19559114e-03 -3.71109148e-02 2.06029240e-14 7.36910514e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.26265769e-11 1.49268595e-01 -8.69309488e-02] [-5.96479767e-12 4.58339384e-01 -9.84433109e-02] [-8.97633942e-12 -4.58339384e-01 9.84433109e-02] [-1.06284287e-11 -1.49268595e-01 8.69309488e-02] [ 1.09062322e-11 1.49268595e-01 -8.69309488e-02] [ 8.82278625e-12 4.58339384e-01 -9.84433109e-02] [ 6.29689410e-12 -4.58339384e-01 9.84433109e-02] [ 1.24785987e-11 -1.49268595e-01 8.69309488e-02] [-3.89671173e-12 2.85146741e-02 1.28132549e-01] [-7.60114367e-12 -2.85146741e-02 -1.28132549e-01] [ 3.23333591e-12 2.85146741e-02 1.28132549e-01] [ 5.14095407e-12 -2.85146741e-02 -1.28132549e-01] [-2.70345031e-12 -3.09675529e-01 3.29030451e-02] [-3.88224630e-12 3.09675529e-01 -3.29030451e-02] [ 2.86933393e-12 -3.09675529e-01 3.29030451e-02] [ 6.53158609e-12 3.09675529e-01 -3.29030451e-02]] Final stress: [-3.97539208e-03 5.47141717e-03 5.19559114e-03 3.71109148e-02 5.24452627e-15 -9.63728371e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.43805631e-11 -2.35145959e+00 -1.94200205e-01] [-2.85881570e-11 -1.36044256e+00 1.09728021e+00] [-2.88677426e-11 1.36044256e+00 -1.09728021e+00] [-3.56115745e-11 2.35145959e+00 1.94200205e-01] [ 3.59666086e-11 -2.35145959e+00 -1.94200205e-01] [ 3.31285234e-11 -1.36044256e+00 1.09728021e+00] [ 3.47153244e-11 1.36044256e+00 -1.09728021e+00] [ 3.40875095e-11 2.35145959e+00 1.94200205e-01] [-3.29994001e-11 9.91713241e-01 -4.13119441e-01] [-3.77264600e-11 -9.91713241e-01 4.13119441e-01] [ 1.02175093e-12 9.91713241e-01 -4.13119441e-01] [ 4.02439367e-12 -9.91713241e-01 4.13119441e-01] [-3.80805630e-13 -2.36539032e+00 -2.26148792e-01] [-1.86510589e-12 2.36539032e+00 2.26148792e-01] [ 2.70996562e-11 -2.36539032e+00 -2.26148792e-01] [ 3.03826883e-11 2.36539032e+00 2.26148792e-01]] Final stress: [ 1.65678513e-03 5.77276052e-02 2.12399913e-02 -3.02963082e-01 1.83868537e-15 -1.40688237e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.98928379e-11 1.36044287e+00 1.09728166e+00] [-2.37171038e-11 2.35146027e+00 -1.94199448e-01] [-2.73125898e-11 -2.35146027e+00 1.94199448e-01] [-4.12585192e-11 -1.36044287e+00 -1.09728166e+00] [ 4.06114971e-11 1.36044287e+00 1.09728166e+00] [ 2.70979576e-11 2.35146027e+00 -1.94199448e-01] [ 2.37287274e-11 -2.35146027e+00 1.94199448e-01] [ 2.14476260e-11 -1.36044287e+00 -1.09728166e+00] [-2.08512224e-11 9.91714790e-01 4.13119370e-01] [-2.24897280e-11 -9.91714790e-01 -4.13119370e-01] [ 6.18315783e-12 9.91714790e-01 4.13119370e-01] [ 8.96052763e-12 -9.91714790e-01 -4.13119370e-01] [-1.60342659e-12 -2.36539252e+00 2.26148846e-01] [-6.52199009e-12 2.36539252e+00 -2.26148846e-01] [ 1.74077159e-11 -2.36539252e+00 2.26148846e-01] [ 1.82150709e-11 2.36539252e+00 -2.26148846e-01]] Final stress: [ 1.65677409e-03 5.77276339e-02 2.12399983e-02 3.02963179e-01 8.78083251e-14 -7.60064911e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01860534 -0.13593587 0.03180783] [-0.01994886 -0.13678804 0.01843921] [ 0.01994886 0.13678804 -0.01843921] [ 0.01860534 0.13593587 -0.03180783] [-0.01860534 -0.13593587 0.03180783] [-0.01994886 -0.13678804 0.01843921] [ 0.01994886 0.13678804 -0.01843921] [ 0.01860534 0.13593587 -0.03180783] [ 0.00073035 0.04073899 -0.05803885] [-0.00073035 -0.04073899 0.05803885] [ 0.00073035 0.04073899 -0.05803885] [-0.00073035 -0.04073899 0.05803885] [-0.00027552 -0.04756315 -0.01472454] [ 0.00027552 0.04756315 0.01472454] [-0.00027552 -0.04756315 -0.01472454] [ 0.00027552 0.04756315 0.01472454]] Final stress: [-3.50764142e-04 5.25720574e-04 7.82692967e-05 -1.50467316e-02 -2.74367858e-04 4.83248087e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01860534 -0.13593587 0.03180783] [ 0.01994886 -0.13678804 0.01843921] [-0.01994886 0.13678804 -0.01843921] [-0.01860534 0.13593587 -0.03180783] [ 0.01860534 -0.13593587 0.03180783] [ 0.01994886 -0.13678804 0.01843921] [-0.01994886 0.13678804 -0.01843921] [-0.01860534 0.13593587 -0.03180783] [-0.00073035 0.04073899 -0.05803885] [ 0.00073035 -0.04073899 0.05803885] [-0.00073035 0.04073899 -0.05803885] [ 0.00073035 -0.04073899 0.05803885] [ 0.00027552 -0.04756315 -0.01472454] [-0.00027552 0.04756315 0.01472454] [ 0.00027552 -0.04756315 -0.01472454] [-0.00027552 0.04756315 0.01472454]] Final stress: [-3.50764145e-04 5.25720575e-04 7.82692990e-05 -1.50467316e-02 2.74367888e-04 -4.83248086e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01994886 0.13678804 0.01843921] [-0.01860534 0.13593587 0.03180783] [ 0.01860534 -0.13593587 -0.03180783] [ 0.01994886 -0.13678804 -0.01843921] [-0.01994886 0.13678804 0.01843921] [-0.01860534 0.13593587 0.03180783] [ 0.01860534 -0.13593587 -0.03180783] [ 0.01994886 -0.13678804 -0.01843921] [-0.00073035 0.04073899 0.05803885] [ 0.00073035 -0.04073899 -0.05803885] [-0.00073035 0.04073899 0.05803885] [ 0.00073035 -0.04073899 -0.05803885] [ 0.00027552 -0.04756315 0.01472454] [-0.00027552 0.04756315 -0.01472454] [ 0.00027552 -0.04756315 0.01472454] [-0.00027552 0.04756315 -0.01472454]] Final stress: [-3.50764151e-04 5.25720578e-04 7.82693038e-05 1.50467317e-02 -2.74367948e-04 -4.83248075e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01994886 0.13678804 0.01843921] [ 0.01860534 0.13593587 0.03180783] [-0.01860534 -0.13593587 -0.03180783] [-0.01994886 -0.13678804 -0.01843921] [ 0.01994886 0.13678804 0.01843921] [ 0.01860534 0.13593587 0.03180783] [-0.01860534 -0.13593587 -0.03180783] [-0.01994886 -0.13678804 -0.01843921] [ 0.00073035 0.04073899 0.05803885] [-0.00073035 -0.04073899 -0.05803885] [ 0.00073035 0.04073899 0.05803885] [-0.00073035 -0.04073899 -0.05803885] [-0.00027552 -0.04756315 0.01472454] [ 0.00027552 0.04756315 -0.01472454] [-0.00027552 -0.04756315 0.01472454] [ 0.00027552 0.04756315 -0.01472454]] Final stress: [-3.50764153e-04 5.25720578e-04 7.82693049e-05 1.50467317e-02 2.74367963e-04 4.83248073e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.4504917 -0.24383078 0.11588099] [ 0.45800838 -0.23870497 0.1003296 ] [-0.45800838 0.23870497 -0.1003296 ] [ 0.4504917 0.24383078 -0.11588099] [-0.4504917 -0.24383078 0.11588099] [ 0.45800838 -0.23870497 0.1003296 ] [-0.45800838 0.23870497 -0.1003296 ] [ 0.4504917 0.24383078 -0.11588099] [ 0.0691977 0.05895942 -0.10545801] [-0.0691977 -0.05895942 0.10545801] [ 0.0691977 0.05895942 -0.10545801] [-0.0691977 -0.05895942 0.10545801] [-0.19173416 -0.08105584 -0.02506365] [ 0.19173416 0.08105584 0.02506365] [-0.19173416 -0.08105584 -0.02506365] [ 0.19173416 0.08105584 0.02506365]] Final stress: [ 0.00035047 0.00058306 -0.00126993 -0.02849827 -0.00026911 -0.00398363] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.4504917 -0.24383078 0.11588099] [-0.45800838 -0.23870497 0.1003296 ] [ 0.45800838 0.23870497 -0.1003296 ] [-0.4504917 0.24383078 -0.11588099] [ 0.4504917 -0.24383078 0.11588099] [-0.45800838 -0.23870497 0.1003296 ] [ 0.45800838 0.23870497 -0.1003296 ] [-0.4504917 0.24383078 -0.11588099] [-0.0691977 0.05895942 -0.10545801] [ 0.0691977 -0.05895942 0.10545801] [-0.0691977 0.05895942 -0.10545801] [ 0.0691977 -0.05895942 0.10545801] [ 0.19173416 -0.08105584 -0.02506365] [-0.19173416 0.08105584 0.02506365] [ 0.19173416 -0.08105584 -0.02506365] [-0.19173416 0.08105584 0.02506365]] Final stress: [ 0.00035047 0.00058306 -0.00126993 -0.02849827 0.00026911 0.00398363] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.45800838 0.23870497 0.1003296 ] [ 0.4504917 0.24383078 0.11588099] [-0.4504917 -0.24383078 -0.11588099] [ 0.45800838 -0.23870497 -0.1003296 ] [-0.45800838 0.23870497 0.1003296 ] [ 0.4504917 0.24383078 0.11588099] [-0.4504917 -0.24383078 -0.11588099] [ 0.45800838 -0.23870497 -0.1003296 ] [ 0.0691977 0.05895942 0.10545801] [-0.0691977 -0.05895942 -0.10545801] [ 0.0691977 0.05895942 0.10545801] [-0.0691977 -0.05895942 -0.10545801] [-0.19173416 -0.08105584 0.02506365] [ 0.19173416 0.08105584 -0.02506365] [-0.19173416 -0.08105584 0.02506365] [ 0.19173416 0.08105584 -0.02506365]] Final stress: [ 0.00035047 0.00058306 -0.00126993 0.02849827 0.00026911 -0.00398363] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.45800838 0.23870497 0.1003296 ] [-0.4504917 0.24383078 0.11588099] [ 0.4504917 -0.24383078 -0.11588099] [-0.45800838 -0.23870497 -0.1003296 ] [ 0.45800838 0.23870497 0.1003296 ] [-0.4504917 0.24383078 0.11588099] [ 0.4504917 -0.24383078 -0.11588099] [-0.45800838 -0.23870497 -0.1003296 ] [-0.0691977 0.05895942 0.10545801] [ 0.0691977 -0.05895942 -0.10545801] [-0.0691977 0.05895942 0.10545801] [ 0.0691977 -0.05895942 -0.10545801] [ 0.19173416 -0.08105584 0.02506365] [-0.19173416 0.08105584 -0.02506365] [ 0.19173416 -0.08105584 0.02506365] [-0.19173416 0.08105584 -0.02506365]] Final stress: [ 0.00035047 0.00058306 -0.00126993 0.02849827 -0.00026911 0.00398363] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00032084 0.00664855 0.00367042] [ 0.00878117 0.00135086 -0.00353782] [-0.00878117 -0.00135086 0.00353782] [ 0.00032084 -0.00664855 -0.00367042] [-0.00032084 0.00664855 0.00367041] [ 0.00878117 0.00135086 -0.00353782] [-0.00878117 -0.00135086 0.00353782] [ 0.00032084 -0.00664855 -0.00367042] [ 0.00481438 0.00908261 -0.00117847] [-0.00481438 -0.00908261 0.00117847] [ 0.00481438 0.00908261 -0.00117847] [-0.00481438 -0.00908261 0.00117847] [-0.00606901 0.00248914 0.00615546] [ 0.00606901 -0.00248914 -0.00615546] [-0.00606901 0.00248914 0.00615546] [ 0.00606901 -0.00248914 -0.00615546]] Final stress: [ 1.77015893e-04 6.51973457e-05 1.12409583e-04 1.26802796e-03 1.43546396e-04 -2.67028127e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.0087882 -0.00134796 -0.00353744] [-0.00032364 -0.0066519 0.00367072] [ 0.00032364 0.0066519 -0.00367071] [-0.0087882 0.00134796 0.00353743] [ 0.0087882 -0.00134796 -0.00353743] [-0.00032364 -0.0066519 0.00367072] [ 0.00032364 0.0066519 -0.00367072] [-0.0087882 0.00134796 0.00353744] [-0.0048175 0.00908299 0.0011774 ] [ 0.0048175 -0.00908299 -0.0011774 ] [-0.0048175 0.009083 0.0011774 ] [ 0.0048175 -0.009083 -0.0011774 ] [ 0.00607233 0.00248473 -0.00615663] [-0.00607233 -0.00248473 0.00615663] [ 0.00607233 0.00248473 -0.00615663] [-0.00607233 -0.00248473 0.00615663]] Final stress: [ 1.76828631e-04 6.51028415e-05 1.12322207e-04 -1.26807930e-03 1.43584010e-04 2.67070605e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00878322 -0.00134657 -0.00353547] [ 0.0003098 -0.00665346 0.0036704 ] [-0.0003098 0.00665346 -0.0036704 ] [ 0.00878322 0.00134657 0.00353547] [-0.00878322 -0.00134657 -0.00353547] [ 0.0003098 -0.00665346 0.0036704 ] [-0.0003098 0.00665346 -0.0036704 ] [ 0.00878322 0.00134657 0.00353547] [ 0.00482088 0.00909209 0.00117677] [-0.00482088 -0.00909209 -0.00117677] [ 0.00482088 0.00909209 0.00117677] [-0.00482088 -0.00909209 -0.00117677] [-0.00607439 0.00248265 -0.00615717] [ 0.00607439 -0.00248265 0.00615717] [-0.00607439 0.00248265 -0.00615717] [ 0.00607439 -0.00248265 0.00615717]] Final stress: [ 1.76772398e-04 6.51700844e-05 1.12395836e-04 -1.26805273e-03 -1.43662530e-04 -2.67156230e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00031218 0.00665524 0.00366831] [-0.00877158 0.00134456 -0.00353907] [ 0.00877158 -0.00134456 0.00353906] [-0.00031218 -0.00665524 -0.0036683 ] [ 0.00031218 0.00665524 0.0036683 ] [-0.00877158 0.00134456 -0.00353906] [ 0.00877158 -0.00134456 0.00353907] [-0.00031218 -0.00665524 -0.00366831] [-0.00481253 0.00909123 -0.00117771] [ 0.00481253 -0.00909123 0.00117771] [-0.00481253 0.00909123 -0.00117771] [ 0.00481253 -0.00909123 0.00117771] [ 0.0060654 0.00249 0.0061562 ] [-0.0060654 -0.00249 -0.0061562 ] [ 0.0060654 0.00249 0.0061562 ] [-0.0060654 -0.00249 -0.0061562 ]] Final stress: [ 1.76850456e-04 6.51166106e-05 1.12400381e-04 1.26804852e-03 -1.43537678e-04 2.66973042e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.30290917e-11 -1.09934295e+00 9.31896121e-01] [ 1.00619456e-11 -1.15777499e+00 6.50253489e-01] [ 5.55345375e-13 1.15777499e+00 -6.50253489e-01] [ 7.30523628e-12 1.09934295e+00 -9.31896121e-01] [-7.03930100e-12 -1.09934295e+00 9.31896121e-01] [ 2.51121259e-12 -1.15777499e+00 6.50253489e-01] [-8.81504700e-12 1.15777499e+00 -6.50253489e-01] [-1.19638147e-11 1.09934295e+00 -9.31896121e-01] [-5.21816032e-12 4.87711376e-01 -5.46276693e-01] [ 1.17507141e-11 -4.87711376e-01 5.46276693e-01] [-1.30310214e-11 4.87711376e-01 -5.46276693e-01] [-1.09672067e-11 -4.87711376e-01 5.46276693e-01] [ 1.03860778e-11 -1.59413773e+00 -3.98655804e-01] [ 9.17932576e-12 1.59413773e+00 3.98655804e-01] [ 3.28804224e-12 -1.59413773e+00 -3.98655804e-01] [-1.10323297e-11 1.59413773e+00 3.98655804e-01]] Final stress: [-1.03294854e-02 1.13939465e-02 -9.60415875e-03 -1.69404337e-01 6.83625516e-14 7.58610814e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 9.84488001e-12 1.15777516e+00 6.50253559e-01] [-4.18093381e-12 1.09934306e+00 9.31896297e-01] [-1.95321146e-12 -1.09934306e+00 -9.31896297e-01] [ 1.16980193e-11 -1.15777516e+00 -6.50253559e-01] [-1.17960354e-11 1.15777516e+00 6.50253559e-01] [ 2.06031850e-12 1.09934306e+00 9.31896297e-01] [ 4.04233483e-12 -1.09934306e+00 -9.31896297e-01] [-8.94566929e-12 -1.15777516e+00 -6.50253559e-01] [ 8.30504133e-12 4.87711841e-01 5.46276778e-01] [ 1.11504443e-11 -4.87711841e-01 -5.46276778e-01] [-1.13640425e-11 4.87711842e-01 5.46276778e-01] [-1.13997167e-11 -4.87711841e-01 -5.46276778e-01] [ 9.70096919e-12 -1.59413831e+00 3.98655861e-01] [ 9.49850460e-12 1.59413831e+00 -3.98655861e-01] [-7.21347954e-12 -1.59413831e+00 3.98655861e-01] [-9.45097616e-12 1.59413831e+00 -3.98655861e-01]] Final stress: [-1.03294947e-02 1.13939521e-02 -9.60415612e-03 1.69404357e-01 -2.00328892e-14 1.22280484e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.71387804e-11 -1.61736465e+00 -4.67713242e+00] [-7.43502105e-11 -2.56128160e+00 -3.63962159e+00] [-7.60690763e-11 2.56128160e+00 3.63962159e+00] [-6.96145867e-11 1.61736465e+00 4.67713242e+00] [ 6.90890923e-11 -1.61736465e+00 -4.67713242e+00] [ 7.60608278e-11 -2.56128160e+00 -3.63962159e+00] [ 7.36086570e-11 2.56128160e+00 3.63962159e+00] [ 5.75723039e-11 1.61736465e+00 4.67713242e+00] [-6.19809557e-11 -1.11318153e+00 -5.45140012e-01] [-4.07556766e-11 1.11318153e+00 5.45140012e-01] [ 4.96948565e-11 -1.11318153e+00 -5.45140012e-01] [ 4.71704624e-11 1.11318153e+00 5.45140012e-01] [-4.06717364e-11 1.65637092e+00 3.38978613e-01] [-3.64552744e-11 -1.65637092e+00 -3.38978613e-01] [ 5.14053028e-11 1.65637092e+00 3.38978613e-01] [ 3.24257765e-11 -1.65637092e+00 -3.38978613e-01]] Final stress: [-1.15619553e-02 3.62633425e-02 4.45209391e-02 -3.22276692e-01 5.22491342e-14 4.34287348e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.26129165e-11 2.56128160e+00 -3.63962159e+00] [-8.31214232e-11 1.61736465e+00 -4.67713242e+00] [-4.84839893e-11 -1.61736465e+00 4.67713242e+00] [-5.33587705e-11 -2.56128160e+00 3.63962159e+00] [ 5.27146180e-11 2.56128160e+00 -3.63962159e+00] [ 4.80422711e-11 1.61736465e+00 -4.67713242e+00] [ 8.24682283e-11 -1.61736465e+00 4.67713242e+00] [ 5.39921460e-11 -2.56128160e+00 3.63962159e+00] [-5.73478483e-11 -1.11318153e+00 5.45140012e-01] [-3.69988085e-11 1.11318153e+00 -5.45140012e-01] [ 3.98893830e-11 -1.11318153e+00 5.45140012e-01] [ 4.65916290e-11 1.11318153e+00 -5.45140012e-01] [-3.26819730e-11 1.65637092e+00 -3.38978613e-01] [-3.95077524e-11 -1.65637092e+00 3.38978613e-01] [ 4.93781919e-11 1.65637092e+00 -3.38978613e-01] [ 3.10428702e-11 -1.65637092e+00 3.38978613e-01]] Final stress: [-1.15619553e-02 3.62633425e-02 4.45209391e-02 3.22276692e-01 -1.55761036e-13 6.94834837e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.42318988e-12 -2.25989402e-01 5.85936627e-01] [-1.14378056e-11 -6.64612868e-01 4.78507805e-01] [-9.76818821e-12 6.64612868e-01 -4.78507805e-01] [-8.54433451e-12 2.25989402e-01 -5.85936627e-01] [ 8.62280343e-12 -2.25989402e-01 5.85936627e-01] [ 9.52862225e-12 -6.64612868e-01 4.78507805e-01] [ 1.15018430e-11 6.64612868e-01 -4.78507805e-01] [ 8.32460056e-12 2.25989402e-01 -5.85936627e-01] [-3.32911585e-12 5.13111748e-02 -2.21129324e-01] [-4.64813691e-12 -5.13111748e-02 2.21129324e-01] [ 3.44388851e-12 5.13111748e-02 -2.21129324e-01] [ 1.86007936e-12 -5.13111749e-02 2.21129324e-01] [-2.64461239e-12 2.26906788e-01 -4.23042604e-02] [-1.15601056e-12 -2.26906788e-01 4.23042604e-02] [ 2.84597865e-12 2.26906788e-01 -4.23042604e-02] [ 3.81025742e-12 -2.26906788e-01 4.23042604e-02]] Final stress: [ 1.00980826e-02 -8.15582344e-03 -1.45682321e-02 -5.34605988e-02 -6.88791945e-15 -1.45837561e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.18728522e-11 6.64612868e-01 4.78507805e-01] [-8.08682635e-12 2.25989402e-01 5.85936627e-01] [-1.11062416e-11 -2.25989402e-01 -5.85936627e-01] [-8.08299434e-12 -6.64612868e-01 -4.78507805e-01] [ 7.67789304e-12 6.64612868e-01 4.78507805e-01] [ 1.12161782e-11 2.25989402e-01 5.85936627e-01] [ 7.80387267e-12 -2.25989402e-01 -5.85936627e-01] [ 1.18620621e-11 -6.64612868e-01 -4.78507805e-01] [-2.20127323e-12 5.13111749e-02 2.21129324e-01] [-1.00708764e-12 -5.13111749e-02 -2.21129324e-01] [ 3.05980968e-12 5.13111748e-02 2.21129324e-01] [ 1.16212899e-12 -5.13111749e-02 -2.21129324e-01] [-2.62343706e-12 2.26906788e-01 4.23042604e-02] [-2.11791874e-13 -2.26906788e-01 -4.23042604e-02] [ 1.43269004e-12 2.26906788e-01 4.23042604e-02] [ 9.73723028e-13 -2.26906788e-01 -4.23042604e-02]] Final stress: [ 1.00980826e-02 -8.15582344e-03 -1.45682321e-02 5.34605988e-02 -1.70056133e-15 -5.25735085e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.14131007e-11 -2.44251356e-01 2.48044250e-02] [-1.07118613e-11 -6.92789836e-02 2.88392562e-02] [-5.19799145e-12 6.92789836e-02 -2.88392561e-02] [-5.40971695e-12 2.44251356e-01 -2.48044250e-02] [ 5.72118459e-12 -2.44251356e-01 2.48044250e-02] [ 5.13627682e-12 -6.92789836e-02 2.88392561e-02] [ 1.09626366e-11 6.92789836e-02 -2.88392561e-02] [ 1.12754328e-11 2.44251356e-01 -2.48044250e-02] [-3.66940484e-12 -7.17710147e-03 -6.29039264e-02] [-6.37303318e-12 7.17710148e-03 6.29039264e-02] [ 3.42210375e-12 -7.17710147e-03 -6.29039264e-02] [ 4.55779815e-12 7.17710148e-03 6.29039264e-02] [-2.77590798e-12 -1.46055797e-01 -2.01054119e-02] [-3.84303581e-12 1.46055797e-01 2.01054119e-02] [ 3.03062953e-12 -1.46055797e-01 -2.01054119e-02] [ 5.28174040e-12 1.46055797e-01 2.01054119e-02]] Final stress: [-4.91306623e-04 2.00437514e-03 1.23776459e-03 -1.93604645e-02 -5.06240501e-14 -4.35383922e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.31929503e-12 6.92789836e-02 2.88392562e-02] [-6.79745301e-12 2.44251356e-01 2.48044250e-02] [-8.42287774e-12 -2.44251356e-01 -2.48044250e-02] [-5.69518911e-12 -6.92789836e-02 -2.88392561e-02] [ 6.09144451e-12 6.92789836e-02 2.88392561e-02] [ 8.09628363e-12 2.44251356e-01 2.48044250e-02] [ 7.05356075e-12 -2.44251356e-01 -2.48044250e-02] [ 5.07491119e-12 -6.92789836e-02 -2.88392561e-02] [-3.79720409e-12 -7.17710147e-03 6.29039264e-02] [-6.87182863e-12 7.17710148e-03 -6.29039264e-02] [ 3.30936667e-12 -7.17710148e-03 6.29039264e-02] [ 7.22330355e-12 7.17710148e-03 -6.29039264e-02] [-2.77656370e-12 -1.46055797e-01 2.01054119e-02] [-6.23272484e-12 1.46055797e-01 -2.01054119e-02] [ 3.21047906e-12 -1.46055797e-01 2.01054119e-02] [ 5.86715401e-12 1.46055797e-01 -2.01054119e-02]] Final stress: [-4.91306623e-04 2.00437514e-03 1.23776459e-03 1.93604645e-02 8.74509378e-15 5.26678014e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.58513589e-11 -1.29431223e+00 1.29101002e-01] [-2.23692473e-11 -7.45304134e-01 4.79083745e-01] [-9.98063427e-12 7.45304134e-01 -4.79083745e-01] [-2.02828787e-11 1.29431223e+00 -1.29101002e-01] [ 2.09965095e-11 -1.29431223e+00 1.29101002e-01] [ 1.13550324e-11 -7.45304134e-01 4.79083745e-01] [ 2.42177499e-11 7.45304134e-01 -4.79083745e-01] [ 2.60260316e-11 1.29431223e+00 -1.29101002e-01] [-2.19025121e-11 8.48501333e-01 -2.55265338e-01] [-3.08496301e-11 -8.48501333e-01 2.55265338e-01] [ 2.36152849e-11 8.48501333e-01 -2.55265338e-01] [ 2.57707662e-11 -8.48501333e-01 2.55265338e-01] [-2.06247437e-11 -1.38679269e+00 -1.97833925e-01] [-2.45276932e-11 1.38679269e+00 1.97833925e-01] [ 1.87382437e-11 -1.38679269e+00 -1.97833925e-01] [ 2.56574824e-11 1.38679269e+00 1.97833925e-01]] Final stress: [-8.63073449e-03 2.65689579e-02 1.18910101e-02 -1.53608290e-01 -7.06677120e-14 -1.20080396e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.07182041e-11 7.45304553e-01 4.79083880e-01] [-2.56413510e-11 1.29431276e+00 1.29100985e-01] [-2.71246324e-11 -1.29431276e+00 -1.29100985e-01] [-1.88022575e-11 -7.45304553e-01 -4.79083880e-01] [ 1.86501511e-11 7.45304553e-01 4.79083880e-01] [ 2.61280320e-11 1.29431276e+00 1.29100985e-01] [ 2.57208205e-11 -1.29431276e+00 -1.29100985e-01] [ 2.91194701e-11 -7.45304553e-01 -4.79083880e-01] [-2.34147495e-11 8.48502908e-01 2.55265442e-01] [-2.55962768e-11 -8.48502908e-01 -2.55265442e-01] [ 2.55118980e-11 8.48502908e-01 2.55265442e-01] [ 3.60121377e-11 -8.48502908e-01 -2.55265442e-01] [-2.24478565e-11 -1.38679447e+00 1.97833965e-01] [-2.99154481e-11 1.38679447e+00 -1.97833965e-01] [ 1.96981597e-11 -1.38679447e+00 1.97833965e-01] [ 2.28113007e-11 1.38679447e+00 -1.97833965e-01]] Final stress: [-8.63076477e-03 2.65689842e-02 1.18910303e-02 1.53608355e-01 -3.62940052e-14 2.66091443e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01090521 -0.08529217 0.0312826 ] [-0.01142634 -0.0848813 0.02296747] [ 0.01142634 0.0848813 -0.02296747] [ 0.01090521 0.08529217 -0.0312826 ] [-0.01090521 -0.08529217 0.0312826 ] [-0.01142634 -0.0848813 0.02296747] [ 0.01142634 0.0848813 -0.02296747] [ 0.01090521 0.08529217 -0.0312826 ] [ 0.00028149 0.04377081 -0.03616679] [-0.00028149 -0.04377081 0.03616679] [ 0.00028149 0.04377081 -0.03616679] [-0.00028149 -0.04377081 0.03616679] [-0.00010651 -0.04869422 -0.0092203 ] [ 0.00010651 0.04869422 0.0092203 ] [-0.00010651 -0.04869422 -0.0092203 ] [ 0.00010651 0.04869422 0.0092203 ]] Final stress: [-4.10238482e-04 4.85534350e-04 9.47772310e-05 -9.38878728e-03 -1.55936650e-04 1.89993972e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.0109052 -0.08529217 0.03128261] [ 0.01142633 -0.0848813 0.02296747] [-0.01142633 0.0848813 -0.02296747] [-0.0109052 0.08529217 -0.03128261] [ 0.0109052 -0.08529217 0.03128261] [ 0.01142633 -0.0848813 0.02296747] [-0.01142633 0.0848813 -0.02296747] [-0.0109052 0.08529217 -0.03128261] [-0.00028149 0.04377081 -0.03616679] [ 0.00028149 -0.04377081 0.03616679] [-0.00028149 0.04377081 -0.03616679] [ 0.00028149 -0.04377081 0.03616679] [ 0.00010651 -0.04869422 -0.0092203 ] [-0.00010651 0.04869422 0.0092203 ] [ 0.00010651 -0.04869422 -0.0092203 ] [-0.00010651 0.04869422 0.0092203 ]] Final stress: [-4.10238462e-04 4.85534341e-04 9.47772154e-05 -9.38878725e-03 1.55936531e-04 -1.89993986e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01142631 0.08488129 0.02296747] [-0.01090518 0.08529217 0.03128261] [ 0.01090518 -0.08529217 -0.03128261] [ 0.01142631 -0.08488129 -0.02296747] [-0.01142631 0.08488129 0.02296747] [-0.01090518 0.08529217 0.03128261] [ 0.01090518 -0.08529217 -0.03128261] [ 0.01142631 -0.08488129 -0.02296747] [-0.00028149 0.04377081 0.03616679] [ 0.00028149 -0.04377081 -0.03616679] [-0.00028149 0.04377081 0.03616679] [ 0.00028149 -0.04377081 -0.03616679] [ 0.00010651 -0.04869422 0.0092203 ] [-0.00010651 0.04869422 -0.0092203 ] [ 0.00010651 -0.04869422 0.0092203 ] [-0.00010651 0.04869422 -0.0092203 ]] Final stress: [-4.10238409e-04 4.85534320e-04 9.47771751e-05 9.38878716e-03 -1.55936221e-04 -1.89994017e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01142633 0.0848813 0.02296747] [ 0.0109052 0.08529217 0.03128261] [-0.0109052 -0.08529217 -0.03128261] [-0.01142633 -0.0848813 -0.02296747] [ 0.01142633 0.0848813 0.02296747] [ 0.0109052 0.08529217 0.03128261] [-0.0109052 -0.08529217 -0.03128261] [-0.01142633 -0.0848813 -0.02296747] [ 0.00028149 0.04377081 0.03616679] [-0.00028149 -0.04377081 -0.03616679] [ 0.00028149 0.04377081 0.03616679] [-0.00028149 -0.04377081 -0.03616679] [-0.00010651 -0.04869422 0.0092203 ] [ 0.00010651 0.04869422 -0.0092203 ] [-0.00010651 -0.04869422 0.0092203 ] [ 0.00010651 0.04869422 -0.0092203 ]] Final stress: [-4.10238458e-04 4.85534340e-04 9.47772124e-05 9.38878724e-03 1.55936507e-04 1.89993992e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.38062013 -0.21205884 0.15792109] [ 0.38634102 -0.20088837 0.14462806] [-0.38634102 0.20088837 -0.14462806] [ 0.38062013 0.21205884 -0.15792109] [-0.38062013 -0.21205884 0.15792109] [ 0.38634102 -0.20088837 0.14462806] [-0.38634102 0.20088837 -0.14462806] [ 0.38062013 0.21205884 -0.15792109] [ 0.06061951 0.08995585 -0.09133987] [-0.06061951 -0.08995585 0.09133987] [ 0.06061951 0.08995585 -0.09133987] [-0.06061951 -0.08995585 0.09133987] [-0.16638726 -0.11378995 -0.02140074] [ 0.16638726 0.11378995 0.02140074] [-0.16638726 -0.11378995 -0.02140074] [ 0.16638726 0.11378995 0.02140074]] Final stress: [ 0.00037474 0.00066528 -0.00158868 -0.02487242 -0.00020393 -0.00349241] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.38062013 -0.21205884 0.15792109] [-0.38634102 -0.20088837 0.14462806] [ 0.38634102 0.20088837 -0.14462806] [-0.38062013 0.21205884 -0.15792109] [ 0.38062013 -0.21205884 0.15792109] [-0.38634102 -0.20088837 0.14462806] [ 0.38634102 0.20088837 -0.14462806] [-0.38062013 0.21205884 -0.15792109] [-0.06061951 0.08995585 -0.09133987] [ 0.06061951 -0.08995585 0.09133987] [-0.06061951 0.08995585 -0.09133987] [ 0.06061951 -0.08995585 0.09133987] [ 0.16638726 -0.11378995 -0.02140074] [-0.16638726 0.11378995 0.02140074] [ 0.16638726 -0.11378995 -0.02140074] [-0.16638726 0.11378995 0.02140074]] Final stress: [ 0.00037474 0.00066528 -0.00158868 -0.02487242 0.00020393 0.00349241] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.38634102 0.20088837 0.14462806] [ 0.38062013 0.21205884 0.15792109] [-0.38062013 -0.21205884 -0.15792109] [ 0.38634102 -0.20088837 -0.14462806] [-0.38634102 0.20088837 0.14462806] [ 0.38062013 0.21205884 0.15792109] [-0.38062013 -0.21205884 -0.15792109] [ 0.38634102 -0.20088837 -0.14462806] [ 0.06061951 0.08995585 0.09133987] [-0.06061951 -0.08995585 -0.09133987] [ 0.06061951 0.08995585 0.09133987] [-0.06061951 -0.08995585 -0.09133987] [-0.16638726 -0.11378995 0.02140074] [ 0.16638726 0.11378995 -0.02140074] [-0.16638726 -0.11378995 0.02140074] [ 0.16638726 0.11378995 -0.02140074]] Final stress: [ 0.00037474 0.00066528 -0.00158868 0.02487242 0.00020393 -0.00349241] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.38634102 0.20088837 0.14462806] [-0.38062013 0.21205884 0.15792109] [ 0.38062013 -0.21205884 -0.15792109] [-0.38634102 -0.20088837 -0.14462806] [ 0.38634102 0.20088837 0.14462806] [-0.38062013 0.21205884 0.15792109] [ 0.38062013 -0.21205884 -0.15792109] [-0.38634102 -0.20088837 -0.14462806] [-0.06061951 0.08995585 0.09133987] [ 0.06061951 -0.08995585 -0.09133987] [-0.06061951 0.08995585 0.09133987] [ 0.06061951 -0.08995585 -0.09133987] [ 0.16638726 -0.11378995 0.02140074] [-0.16638726 0.11378995 -0.02140074] [ 0.16638726 -0.11378995 0.02140074] [-0.16638726 0.11378995 -0.02140074]] Final stress: [ 0.00037474 0.00066528 -0.00158868 0.02487242 -0.00020393 0.00349241] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00034004 0.00472435 0.00687374] [ 0.00921396 0.00273653 -0.00396756] [-0.00921396 -0.00273652 0.00396757] [ 0.00034004 -0.00472435 -0.00687375] [-0.00034004 0.00472435 0.00687374] [ 0.00921396 0.00273652 -0.00396757] [-0.00921396 -0.00273653 0.00396757] [ 0.00034004 -0.00472435 -0.00687373] [ 0.00517474 0.00500601 -0.00216399] [-0.00517474 -0.00500602 0.00216399] [ 0.00517474 0.00500601 -0.00216399] [-0.00517474 -0.00500601 0.00216399] [-0.00644431 -0.00055025 0.00509529] [ 0.00644431 0.00055025 -0.00509529] [-0.00644431 -0.00055025 0.00509529] [ 0.00644431 0.00055025 -0.00509529]] Final stress: [ 1.62108916e-04 5.50929241e-05 6.52159670e-05 1.27453830e-03 1.21737136e-04 -2.23902205e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00921809 -0.00272632 -0.00396189] [-0.00032144 -0.0047355 0.00687464] [ 0.00032144 0.0047355 -0.00687466] [-0.00921809 0.00272632 0.0039619 ] [ 0.00921809 -0.00272632 -0.0039619 ] [-0.00032144 -0.0047355 0.00687466] [ 0.00032144 0.0047355 -0.00687464] [-0.00921809 0.00272632 0.00396188] [-0.00518627 0.00501618 0.0021615 ] [ 0.00518627 -0.00501618 -0.0021615 ] [-0.00518627 0.00501618 0.0021615 ] [ 0.00518627 -0.00501619 -0.0021615 ] [ 0.00645407 -0.00055494 -0.00509785] [-0.00645407 0.00055495 0.00509785] [ 0.00645407 -0.00055495 -0.00509785] [-0.00645407 0.00055495 0.00509785]] Final stress: [ 1.61776463e-04 5.48674133e-05 6.50222526e-05 -1.27455887e-03 1.21939140e-04 2.24133683e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00921533 -0.00272938 -0.00395955] [ 0.00031382 -0.00473237 0.00687737] [-0.00031382 0.00473237 -0.00687737] [ 0.00921533 0.00272938 0.00395955] [-0.00921533 -0.00272938 -0.00395956] [ 0.00031382 -0.00473237 0.00687737] [-0.00031382 0.00473237 -0.00687737] [ 0.00921533 0.00272938 0.00395955] [ 0.00518912 0.00501783 0.00216183] [-0.00518912 -0.00501783 -0.00216184] [ 0.00518912 0.00501783 0.00216184] [-0.00518912 -0.00501783 -0.00216184] [-0.00645483 -0.00055639 -0.00509757] [ 0.00645483 0.00055639 0.00509757] [-0.00645483 -0.00055639 -0.00509757] [ 0.00645483 0.00055639 0.00509757]] Final stress: [ 1.61872020e-04 5.49687769e-05 6.50749145e-05 -1.27456078e-03 -1.21982152e-04 -2.24139619e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00034051 0.00472855 0.00687451] [-0.00922662 0.002733 -0.00396368] [ 0.00922662 -0.002733 0.00396369] [-0.00034051 -0.00472855 -0.00687452] [ 0.00034051 0.00472855 0.00687453] [-0.00922662 0.002733 -0.00396369] [ 0.00922662 -0.002733 0.00396367] [-0.00034051 -0.00472855 -0.00687451] [-0.00518214 0.00500309 -0.00216203] [ 0.00518214 -0.00500309 0.00216203] [-0.00518214 0.00500309 -0.00216203] [ 0.00518214 -0.00500309 0.00216203] [ 0.00645285 -0.00055934 0.00509731] [-0.00645285 0.00055934 -0.00509731] [ 0.00645285 -0.00055934 0.00509731] [-0.00645285 0.00055934 -0.00509731]] Final stress: [ 1.61811778e-04 5.49196010e-05 6.50181393e-05 1.27456061e-03 -1.21845759e-04 2.24072626e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.47227021e-12 -5.55524948e-01 3.89744036e-01] [-2.74665956e-11 -5.30002588e-01 3.44344546e-01] [-2.34798793e-11 5.30002588e-01 -3.44344546e-01] [ 3.86704644e-12 5.55524948e-01 -3.89744036e-01] [-3.04735284e-12 -5.55524948e-01 3.89744036e-01] [ 2.20592997e-11 -5.30002588e-01 3.44344546e-01] [ 2.81589927e-11 5.30002588e-01 -3.44344546e-01] [-5.32448413e-12 5.55524948e-01 -3.89744036e-01] [ 8.36956242e-12 2.81981435e-01 -2.11127647e-01] [-2.22260422e-11 -2.81981435e-01 2.11127647e-01] [ 1.07029914e-11 2.81981435e-01 -2.11127647e-01] [ 1.00984663e-11 -2.81981435e-01 2.11127647e-01] [-8.14351321e-12 -7.75591615e-01 -1.61901083e-01] [-8.66120600e-12 7.75591615e-01 1.61901083e-01] [-8.20540483e-12 -7.75591615e-01 -1.61901083e-01] [ 1.88176090e-11 7.75591615e-01 1.61901083e-01]] Final stress: [-7.80691410e-03 4.47078092e-03 -3.30443587e-03 -8.04086931e-02 -1.49092549e-14 -1.30687408e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.12505728e-12 5.30002381e-01 3.44343202e-01] [-1.97170080e-12 5.55524631e-01 3.89742602e-01] [-2.22570890e-11 -5.55524631e-01 -3.89742602e-01] [ 3.68686939e-12 -5.30002381e-01 -3.44343202e-01] [-2.01986333e-12 5.30002381e-01 3.44343202e-01] [ 2.24100955e-11 5.55524631e-01 3.89742602e-01] [ 2.97510259e-12 -5.55524631e-01 -3.89742602e-01] [-4.55280822e-12 -5.30002381e-01 -3.44343202e-01] [-1.41175812e-11 2.81980545e-01 2.11127521e-01] [-1.14787841e-11 -2.81980545e-01 -2.11127521e-01] [ 5.67246033e-12 2.81980545e-01 2.11127521e-01] [ 1.05152350e-11 -2.81980545e-01 -2.11127521e-01] [-6.48256579e-12 -7.75590499e-01 1.61900991e-01] [-9.45888832e-12 7.75590499e-01 -1.61900991e-01] [ 1.18847719e-11 -7.75590499e-01 1.61900991e-01] [ 1.00795748e-11 7.75590499e-01 -1.61900991e-01]] Final stress: [-7.80691526e-03 4.47077563e-03 -3.30442168e-03 8.04086569e-02 1.01162620e-13 4.01013745e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.06046226e-10 -3.15735621e+00 -7.31620439e+00] [-2.32439887e-10 -5.07473125e+00 -5.60517634e+00] [-6.32620802e-10 5.07473125e+00 5.60517634e+00] [-4.92497741e-10 3.15735621e+00 7.31620439e+00] [ 5.27416547e-10 -3.15735621e+00 -7.31620439e+00] [ 6.21260603e-10 -5.07473125e+00 -5.60517634e+00] [ 4.69422416e-10 5.07473125e+00 5.60517634e+00] [ 1.11305647e-10 3.15735621e+00 7.31620439e+00] [-2.93581011e-10 -6.85177881e+00 -3.02365290e+00] [-2.19311127e-10 6.85177881e+00 3.02365290e+00] [-1.97847477e-10 -6.85177881e+00 -3.02365290e+00] [ 4.54198013e-10 6.85177881e+00 3.02365290e+00] [ 1.24639125e-10 5.90995611e+00 2.28937871e+00] [-3.36344818e-10 -5.90995611e+00 -2.28937871e+00] [ 1.22250709e-10 5.90995611e+00 2.28937871e+00] [ 8.01898962e-11 -5.90995611e+00 -2.28937871e+00]] Final stress: [ 7.08166876e-02 1.92674091e-02 -2.44994243e-02 -5.82617309e-01 1.61353328e-12 1.28175084e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.28752110e-10 5.07473125e+00 -5.60517634e+00] [-1.72461059e-10 3.15735621e+00 -7.31620439e+00] [-6.21278347e-11 -3.15735621e+00 7.31620439e+00] [-2.91250851e-10 -5.07473125e+00 5.60517634e+00] [ 4.35898812e-10 5.07473125e+00 -5.60517634e+00] [ 2.11573515e-11 3.15735621e+00 -7.31620439e+00] [ 1.92013080e-10 -3.15735621e+00 7.31620439e+00] [ 2.22530177e-10 -5.07473125e+00 5.60517634e+00] [-1.08146369e-12 -6.85177881e+00 3.02365289e+00] [-3.04436589e-10 6.85177881e+00 -3.02365290e+00] [-1.34955095e-10 -6.85177881e+00 3.02365289e+00] [ 2.69575784e-10 6.85177881e+00 -3.02365290e+00] [ 1.27330476e-10 5.90995611e+00 -2.28937871e+00] [-1.40923967e-10 -5.90995611e+00 2.28937871e+00] [-3.80295445e-11 5.90995611e+00 -2.28937871e+00] [ 2.05503337e-10 -5.90995611e+00 2.28937871e+00]] Final stress: [ 7.08166876e-02 1.92674090e-02 -2.44994243e-02 5.82617309e-01 8.76732565e-14 -7.00105933e-13] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.22754430e-13 -2.30064077e-01 4.95089214e-01] [ 2.55356175e-12 -6.64100907e-01 3.56499743e-01] [-1.66125794e-12 6.64100907e-01 -3.56499743e-01] [-2.23993133e-12 2.30064077e-01 -4.95089214e-01] [ 2.23109140e-12 -2.30064077e-01 4.95089214e-01] [ 1.34522254e-12 -6.64100907e-01 3.56499743e-01] [-2.44390369e-12 6.64100907e-01 -3.56499743e-01] [ 6.25421590e-13 2.30064077e-01 -4.95089214e-01] [ 6.16489910e-12 -6.93552442e-02 -2.49915987e-01] [ 8.12595737e-12 6.93552442e-02 2.49915987e-01] [-7.11291171e-12 -6.93552442e-02 -2.49915987e-01] [-5.72953230e-12 6.93552442e-02 2.49915987e-01] [ 6.44296422e-12 3.10039768e-01 -2.60105904e-02] [ 5.38279363e-12 -3.10039767e-01 2.60105904e-02] [-5.71433837e-12 3.10039768e-01 -2.60105904e-02] [-7.25311182e-12 -3.10039767e-01 2.60105904e-02]] Final stress: [ 1.00246852e-02 -9.32996234e-03 -1.43000781e-02 -5.09033031e-02 2.47822747e-14 1.48897367e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.43500413e-12 6.64100907e-01 3.56499743e-01] [ 1.51901213e-12 2.30064077e-01 4.95089214e-01] [ 7.35723982e-13 -2.30064077e-01 -4.95089214e-01] [-2.41129079e-12 -6.64100907e-01 -3.56499743e-01] [ 1.61557020e-12 6.64100907e-01 3.56499743e-01] [-8.22548193e-13 2.30064077e-01 4.95089214e-01] [-2.06713281e-12 -2.30064077e-01 -4.95089214e-01] [ 3.59724316e-12 -6.64100907e-01 -3.56499743e-01] [ 8.99601422e-12 -6.93552442e-02 2.49915987e-01] [ 6.83851760e-12 6.93552442e-02 -2.49915987e-01] [-4.17429296e-12 -6.93552442e-02 2.49915987e-01] [-6.97368942e-12 6.93552442e-02 -2.49915987e-01] [ 4.21146798e-12 3.10039768e-01 2.60105904e-02] [ 6.52606349e-12 -3.10039767e-01 -2.60105904e-02] [-8.30034709e-12 3.10039768e-01 2.60105904e-02] [-5.87024797e-12 -3.10039767e-01 -2.60105904e-02]] Final stress: [ 1.00246852e-02 -9.32996234e-03 -1.43000781e-02 5.09033031e-02 -1.23622181e-15 -2.04966017e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.32606804e-12 -1.24017058e-01 8.78398172e-02] [-4.30370344e-12 -2.57887644e-02 9.18906790e-02] [-5.02550334e-12 2.57887644e-02 -9.18906790e-02] [-5.51823431e-12 1.24017058e-01 -8.78398172e-02] [ 5.56665900e-12 -1.24017058e-01 8.78398172e-02] [ 5.30420716e-12 -2.57887644e-02 9.18906790e-02] [ 4.35573875e-12 2.57887644e-02 -9.18906790e-02] [ 5.59423666e-12 1.24017058e-01 -8.78398172e-02] [-6.91526805e-12 -3.08822705e-02 -2.69801504e-02] [-4.49762970e-12 3.08822705e-02 2.69801504e-02] [ 4.27516486e-12 -3.08822705e-02 -2.69801504e-02] [ 4.93534554e-12 3.08822705e-02 2.69801504e-02] [-3.86206735e-12 -5.29308395e-02 -1.19215163e-02] [-4.30482562e-12 5.29308395e-02 1.19215163e-02] [ 5.84700943e-12 -5.29308395e-02 -1.19215163e-02] [ 3.86882762e-12 5.29308395e-02 1.19215163e-02]] Final stress: [ 1.55482526e-03 1.48093399e-04 -1.00291528e-03 -9.45082654e-03 4.22528292e-15 1.11101401e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.98715544e-12 2.57887644e-02 9.18906790e-02] [-1.08069300e-11 1.24017058e-01 8.78398172e-02] [-7.50508434e-12 -1.24017058e-01 -8.78398172e-02] [-7.56150958e-12 -2.57887644e-02 -9.18906790e-02] [ 7.69009400e-12 2.57887644e-02 9.18906790e-02] [ 7.45127831e-12 1.24017058e-01 8.78398172e-02] [ 1.09514564e-11 -1.24017058e-01 -8.78398172e-02] [ 3.95200799e-12 -2.57887644e-02 -9.18906790e-02] [-2.55541161e-12 -3.08822705e-02 2.69801504e-02] [-7.93722466e-12 3.08822705e-02 -2.69801504e-02] [ 3.96934829e-12 -3.08822705e-02 2.69801504e-02] [ 3.72432987e-12 3.08822705e-02 -2.69801504e-02] [-2.92683976e-12 -5.29308395e-02 1.19215163e-02] [-3.39164189e-12 5.29308395e-02 -1.19215163e-02] [ 2.22456842e-12 -5.29308395e-02 1.19215163e-02] [ 6.70157021e-12 5.29308395e-02 -1.19215163e-02]] Final stress: [ 1.55482526e-03 1.48093399e-04 -1.00291528e-03 9.45082654e-03 1.17184147e-15 -2.62549243e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.86527211e-11 -6.32983611e-01 1.18070927e-01] [-2.30238962e-11 -3.48488641e-01 2.10197290e-01] [-2.23933917e-11 3.48488641e-01 -2.10197290e-01] [-1.87854558e-11 6.32983611e-01 -1.18070927e-01] [ 1.92541455e-11 -6.32983611e-01 1.18070927e-01] [ 2.18864623e-11 -3.48488641e-01 2.10197290e-01] [ 2.38314995e-11 3.48488641e-01 -2.10197290e-01] [ 1.83841980e-11 6.32983611e-01 -1.18070927e-01] [-1.76235485e-11 4.37320396e-01 -1.39978467e-01] [-2.23979143e-11 -4.37320396e-01 1.39978467e-01] [ 1.79314157e-11 4.37320396e-01 -1.39978467e-01] [ 2.16987561e-11 -4.37320396e-01 1.39978467e-01] [-1.53098740e-11 -6.68469245e-01 -1.05529389e-01] [-1.88598440e-11 6.68469245e-01 1.05529389e-01] [ 1.52765197e-11 -6.68469245e-01 -1.05529389e-01] [ 1.87843526e-11 6.68469245e-01 1.05529389e-01]] Final stress: [-6.11857239e-03 1.11879682e-02 5.62608591e-03 -7.22178534e-02 -2.13599366e-15 3.15569071e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.11811496e-11 3.48487716e-01 2.10194740e-01] [-1.49490897e-11 6.32982067e-01 1.18068462e-01] [-1.99607858e-11 -6.32982067e-01 -1.18068462e-01] [-2.30669824e-11 -3.48487716e-01 -2.10194740e-01] [ 2.14699530e-11 3.48487716e-01 2.10194740e-01] [ 1.98633159e-11 6.32982067e-01 1.18068462e-01] [ 1.38362551e-11 -6.32982067e-01 -1.18068462e-01] [ 2.06712364e-11 -3.48487716e-01 -2.10194740e-01] [-2.63227406e-11 4.37315259e-01 1.39978046e-01] [-5.34442976e-12 -4.37315259e-01 -1.39978046e-01] [ 2.28157754e-11 4.37315259e-01 1.39978046e-01] [ 2.78458792e-11 -4.37315259e-01 -1.39978046e-01] [-1.98177889e-11 -6.68463806e-01 1.05529241e-01] [-2.35848540e-11 6.68463807e-01 -1.05529241e-01] [ 2.30387350e-11 -6.68463807e-01 1.05529241e-01] [ 4.68875020e-12 6.68463807e-01 -1.05529241e-01]] Final stress: [-6.11850997e-03 1.11879027e-02 5.62606029e-03 7.22176951e-02 3.13091353e-14 1.06731780e-13] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.51702547e-03 -5.34308684e-02 3.05902098e-02] [-5.71705719e-03 -5.24944685e-02 2.54492076e-02] [ 5.71705719e-03 5.24944685e-02 -2.54492076e-02] [ 5.51702547e-03 5.34308684e-02 -3.05902098e-02] [-5.51702547e-03 -5.34308684e-02 3.05902098e-02] [-5.71705719e-03 -5.24944685e-02 2.54492076e-02] [ 5.71705719e-03 5.24944685e-02 -2.54492076e-02] [ 5.51702547e-03 5.34308684e-02 -3.05902098e-02] [ 1.06319204e-04 4.47368714e-02 -2.24711319e-02] [-1.06319204e-04 -4.47368714e-02 2.24711319e-02] [ 1.06319204e-04 4.47368714e-02 -2.24711319e-02] [-1.06319205e-04 -4.47368714e-02 2.24711319e-02] [-4.05294962e-05 -4.89228358e-02 -5.76652414e-03] [ 4.05294971e-05 4.89228358e-02 5.76652414e-03] [-4.05294966e-05 -4.89228358e-02 -5.76652414e-03] [ 4.05294964e-05 4.89228358e-02 5.76652414e-03]] Final stress: [-4.26557037e-04 4.66620158e-04 9.68019466e-05 -5.84450218e-03 -7.32647330e-05 7.54755234e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.51700872e-03 -5.34308677e-02 3.05902122e-02] [ 5.71704040e-03 -5.24944673e-02 2.54492105e-02] [-5.71704040e-03 5.24944673e-02 -2.54492105e-02] [-5.51700872e-03 5.34308677e-02 -3.05902122e-02] [ 5.51700872e-03 -5.34308677e-02 3.05902122e-02] [ 5.71704040e-03 -5.24944673e-02 2.54492105e-02] [-5.71704040e-03 5.24944673e-02 -2.54492105e-02] [-5.51700872e-03 5.34308677e-02 -3.05902122e-02] [-1.06319166e-04 4.47368697e-02 -2.24711312e-02] [ 1.06319161e-04 -4.47368697e-02 2.24711312e-02] [-1.06319160e-04 4.47368697e-02 -2.24711312e-02] [ 1.06319165e-04 -4.47368697e-02 2.24711312e-02] [ 4.05294816e-05 -4.89228343e-02 -5.76652425e-03] [-4.05294865e-05 4.89228343e-02 5.76652425e-03] [ 4.05294874e-05 -4.89228343e-02 -5.76652425e-03] [-4.05294825e-05 4.89228343e-02 5.76652425e-03]] Final stress: [-4.26556956e-04 4.66620125e-04 9.68018836e-05 -5.84450210e-03 7.32644345e-05 -7.54755420e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.71705928e-03 5.24944687e-02 2.54492073e-02] [-5.51702756e-03 5.34308685e-02 3.05902095e-02] [ 5.51702755e-03 -5.34308685e-02 -3.05902095e-02] [ 5.71705928e-03 -5.24944687e-02 -2.54492073e-02] [-5.71705928e-03 5.24944687e-02 2.54492073e-02] [-5.51702755e-03 5.34308685e-02 3.05902095e-02] [ 5.51702756e-03 -5.34308685e-02 -3.05902095e-02] [ 5.71705928e-03 -5.24944687e-02 -2.54492073e-02] [-1.06319207e-04 4.47368716e-02 2.24711320e-02] [ 1.06319211e-04 -4.47368716e-02 -2.24711320e-02] [-1.06319214e-04 4.47368716e-02 2.24711320e-02] [ 1.06319208e-04 -4.47368716e-02 -2.24711320e-02] [ 4.05295014e-05 -4.89228360e-02 5.76652413e-03] [-4.05294962e-05 4.89228360e-02 -5.76652413e-03] [ 4.05294951e-05 -4.89228360e-02 5.76652413e-03] [-4.05294987e-05 4.89228360e-02 -5.76652413e-03]] Final stress: [-4.26557047e-04 4.66620162e-04 9.68019545e-05 5.84450219e-03 -7.32647702e-05 -7.54755205e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.71706348e-03 5.24944690e-02 2.54492065e-02] [ 5.51703174e-03 5.34308687e-02 3.05902089e-02] [-5.51703174e-03 -5.34308687e-02 -3.05902089e-02] [-5.71706348e-03 -5.24944690e-02 -2.54492065e-02] [ 5.71706348e-03 5.24944690e-02 2.54492065e-02] [ 5.51703174e-03 5.34308687e-02 3.05902089e-02] [-5.51703174e-03 -5.34308687e-02 -3.05902089e-02] [-5.71706348e-03 -5.24944690e-02 -2.54492065e-02] [ 1.06319215e-04 4.47368720e-02 2.24711322e-02] [-1.06319221e-04 -4.47368720e-02 -2.24711322e-02] [ 1.06319220e-04 4.47368720e-02 2.24711322e-02] [-1.06319216e-04 -4.47368720e-02 -2.24711322e-02] [-4.05295007e-05 -4.89228363e-02 5.76652410e-03] [ 4.05294969e-05 4.89228363e-02 -5.76652410e-03] [-4.05294964e-05 -4.89228363e-02 5.76652410e-03] [ 4.05295019e-05 4.89228363e-02 -5.76652410e-03]] Final stress: [-4.26557068e-04 4.66620171e-04 9.68019703e-05 5.84450221e-03 7.32648448e-05 7.54755201e-07] Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.32653477e-12 -2.51834079e-01 1.41961317e-01] [-1.63608374e-11 -2.27615659e-01 1.45637437e-01] [-1.47546195e-11 2.27615659e-01 -1.45637437e-01] [-1.14506607e-11 2.51834079e-01 -1.41961317e-01] [ 1.17645895e-11 -2.51834079e-01 1.41961317e-01] [ 1.50373420e-11 -2.27615659e-01 1.45637437e-01] [ 1.63813593e-11 2.27615659e-01 -1.45637437e-01] [ 9.46703891e-12 2.51834079e-01 -1.41961317e-01] [-1.59382861e-11 9.92362734e-02 -7.98712396e-02] [-1.56001236e-11 -9.92362734e-02 7.98712396e-02] [ 1.87964103e-11 9.92362734e-02 -7.98712396e-02] [ 2.07712419e-11 -9.92362734e-02 7.98712396e-02] [-1.67167096e-11 -3.33685457e-01 -6.48701727e-02] [-1.87124279e-11 3.33685457e-01 6.48701727e-02] [ 1.35101595e-11 -3.33685457e-01 -6.48701727e-02] [ 1.31317243e-11 3.33685457e-01 6.48701727e-02]] Final stress: [-3.96623424e-03 1.40021383e-03 -1.32150472e-03 -3.56037470e-02 3.62434290e-15 6.86887644e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.67195782e-11 2.27616673e-01 1.45641633e-01] [-2.01865725e-11 2.51835337e-01 1.41965792e-01] [-2.05953198e-11 -2.51835337e-01 -1.41965792e-01] [-1.76184527e-11 -2.27616673e-01 -1.45641633e-01] [ 1.74711301e-11 2.27616673e-01 1.45641633e-01] [ 2.04524011e-11 2.51835337e-01 1.41965792e-01] [ 2.01054113e-11 -2.51835337e-01 -1.41965792e-01] [ 1.65126985e-11 -2.27616673e-01 -1.45641633e-01] [-1.29973085e-11 9.92411843e-02 7.98718023e-02] [-4.36842663e-12 -9.92411842e-02 -7.98718023e-02] [ 1.37210593e-11 9.92411842e-02 7.98718023e-02] [ 1.84909657e-11 -9.92411842e-02 -7.98718023e-02] [-1.19419539e-11 -3.33691031e-01 6.48703859e-02] [-1.61842806e-11 3.33691031e-01 -6.48703859e-02] [ 1.07793493e-11 -3.33691031e-01 6.48703859e-02] [ 3.08941479e-12 3.33691031e-01 -6.48703859e-02]] Final stress: [-3.96628060e-03 1.40025520e-03 -1.32152228e-03 3.56038915e-02 5.36212581e-15 5.66239874e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 7.04675478e-12 -1.37943076e-01 -8.94088757e-02] [ 2.18883245e-12 -1.35948150e-01 -1.07304140e-01] [ 2.18093328e-12 1.35948150e-01 1.07304140e-01] [ 8.08408895e-12 1.37943076e-01 8.94088757e-02] [-7.84786255e-12 -1.37943076e-01 -8.94088757e-02] [-2.08702326e-12 -1.35948150e-01 -1.07304140e-01] [-1.98068786e-12 1.35948150e-01 1.07304140e-01] [-6.90145835e-12 1.37943076e-01 8.94088757e-02] [ 1.46937866e-12 -2.51009437e-01 -7.01558962e-02] [ 5.03706105e-12 2.51009437e-01 7.01558962e-02] [-6.62305454e-12 -2.51009437e-01 -7.01558962e-02] [-4.62946348e-12 2.51009437e-01 7.01558962e-02] [ 5.82007489e-12 2.59322130e-01 -5.95203556e-03] [ 3.93824928e-12 -2.59322130e-01 5.95203556e-03] [-1.13616455e-12 2.59322130e-01 -5.95203556e-03] [-4.56627715e-12 -2.59322130e-01 5.95203556e-03]] Final stress: [ 4.04448963e-03 -2.60377904e-03 -1.37538022e-03 -1.56549622e-02 -4.28882456e-15 3.06517249e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.93385952e-12 1.35948150e-01 -1.07304140e-01] [ 2.72142421e-12 1.37943076e-01 -8.94088757e-02] [-4.39990123e-12 -1.37943076e-01 8.94088757e-02] [ 3.93302405e-12 -1.35948150e-01 1.07304140e-01] [-3.95421987e-12 1.35948150e-01 -1.07304140e-01] [ 4.43896612e-12 1.37943076e-01 -8.94088757e-02] [-2.80658537e-12 -1.37943076e-01 8.94088757e-02] [-6.67882047e-12 -1.35948150e-01 1.07304140e-01] [ 4.55332582e-12 -2.51009437e-01 7.01558962e-02] [ 2.13219459e-12 2.51009437e-01 -7.01558962e-02] [-5.95750565e-12 -2.51009437e-01 7.01558962e-02] [-6.33540052e-12 2.51009437e-01 -7.01558962e-02] [ 5.15320816e-12 2.59322130e-01 5.95203556e-03] [ 5.98484164e-12 -2.59322130e-01 -5.95203557e-03] [-4.31541723e-12 2.59322130e-01 5.95203556e-03] [-1.40573309e-12 -2.59322130e-01 -5.95203557e-03]] Final stress: [ 4.04448963e-03 -2.60377904e-03 -1.37538022e-03 1.56549622e-02 4.50769036e-14 -1.88004316e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.16692206e-11 -1.69730032e-01 1.07284913e-01] [ 3.17608656e-11 -5.49136575e-01 -1.98540957e-02] [ 3.18329456e-11 5.49136575e-01 1.98540956e-02] [ 2.96310372e-11 1.69730032e-01 -1.07284913e-01] [-2.97334173e-11 -1.69730032e-01 1.07284913e-01] [-3.10185575e-11 -5.49136575e-01 -1.98540957e-02] [-3.18630824e-11 5.49136575e-01 1.98540956e-02] [-4.11002714e-11 1.69730032e-01 -1.07284913e-01] [ 3.49295261e-11 -5.26410083e-03 -2.17918358e-01] [ 3.29868893e-11 5.26410083e-03 2.17918358e-01] [-3.83956543e-11 -5.26410084e-03 -2.17918358e-01] [-3.95040290e-11 5.26410082e-03 2.17918358e-01] [ 3.40828997e-11 1.89744534e-01 -7.27621488e-03] [ 3.41509320e-11 -1.89744534e-01 7.27621488e-03] [-3.06943376e-11 1.89744534e-01 -7.27621488e-03] [-2.87323518e-11 -1.89744534e-01 7.27621488e-03]] Final stress: [ 1.30200764e-03 -5.50815517e-03 -5.69526241e-03 -3.86598094e-02 5.44093430e-14 -2.53985340e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.42784992e-11 5.49136575e-01 -1.98540956e-02] [ 2.61221179e-11 1.69730032e-01 1.07284913e-01] [ 2.40381270e-11 -1.69730032e-01 -1.07284913e-01] [ 3.92588401e-11 -5.49136575e-01 1.98540957e-02] [-3.89921903e-11 5.49136575e-01 -1.98540956e-02] [-2.36180298e-11 1.69730032e-01 1.07284913e-01] [-2.58126180e-11 -1.69730032e-01 -1.07284913e-01] [-4.39654983e-11 -5.49136575e-01 1.98540956e-02] [ 3.54770787e-11 -5.26410079e-03 2.17918358e-01] [ 4.17113722e-11 5.26410083e-03 -2.17918358e-01] [-4.31880999e-11 -5.26410086e-03 2.17918358e-01] [-4.02260057e-11 5.26410082e-03 -2.17918358e-01] [ 3.72618095e-11 1.89744534e-01 7.27621489e-03] [ 3.54075995e-11 -1.89744534e-01 -7.27621489e-03] [-3.11869203e-11 1.89744534e-01 7.27621490e-03] [-3.65638208e-11 -1.89744534e-01 -7.27621490e-03]] Final stress: [ 1.30200764e-03 -5.50815517e-03 -5.69526241e-03 3.86598094e-02 3.24026353e-14 2.33735655e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.81067652e-10 -2.11281857e+00 2.05897708e+00] [-1.76259183e-10 -3.01149711e-01 3.04662441e+00] [-1.96389854e-10 3.01149711e-01 -3.04662441e+00] [-2.52891821e-10 2.11281857e+00 -2.05897708e+00] [ 2.53721984e-10 -2.11281857e+00 2.05897708e+00] [ 1.90353565e-10 -3.01149711e-01 3.04662441e+00] [ 1.82585859e-10 3.01149711e-01 -3.04662441e+00] [ 1.79208018e-10 2.11281857e+00 -2.05897708e+00] [-1.10524215e-10 -3.28980383e+00 -5.39804671e-01] [-1.81346991e-10 3.28980383e+00 5.39804671e-01] [ 1.37404312e-10 -3.28980383e+00 -5.39804671e-01] [ 1.27385788e-10 3.28980383e+00 5.39804671e-01] [-1.01366326e-10 1.16464286e+00 -3.75307180e-01] [-9.71200881e-11 -1.16464286e+00 3.75307180e-01] [ 8.66541592e-11 1.16464286e+00 -3.75307180e-01] [ 1.39650378e-10 -1.16464286e+00 3.75307180e-01]] Final stress: [ 9.20040388e-02 -1.99798197e-02 -6.59154197e-02 -1.97739249e-01 4.39146356e-13 -3.05694164e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.70179466e-10 3.01149711e-01 3.04662441e+00] [-1.73167509e-10 2.11281857e+00 2.05897708e+00] [-1.71503544e-10 -2.11281857e+00 -2.05897708e+00] [-2.70986292e-10 -3.01149712e-01 -3.04662441e+00] [ 2.71659395e-10 3.01149711e-01 3.04662441e+00] [ 1.70983712e-10 2.11281857e+00 2.05897708e+00] [ 1.71832209e-10 -2.11281857e+00 -2.05897708e+00] [ 2.73234070e-10 -3.01149712e-01 -3.04662441e+00] [-2.02816755e-10 -3.28980383e+00 5.39804671e-01] [-1.76971201e-10 3.28980383e+00 -5.39804671e-01] [ 1.52837807e-10 -3.28980383e+00 5.39804671e-01] [ 1.50527032e-10 3.28980383e+00 -5.39804671e-01] [-1.07356769e-10 1.16464286e+00 3.75307180e-01] [-1.03532269e-10 -1.16464286e+00 -3.75307180e-01] [ 1.53419379e-10 1.16464286e+00 3.75307180e-01] [ 1.32008689e-10 -1.16464286e+00 -3.75307180e-01]] Final stress: [ 9.20040388e-02 -1.99798197e-02 -6.59154198e-02 1.97739249e-01 4.57879477e-15 6.70189675e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.24282623e-12 -1.01078369e-01 7.18189084e-02] [ 1.20797543e-11 -1.54296348e-01 3.77162584e-02] [ 1.11497956e-11 1.54296348e-01 -3.77162584e-02] [ 1.36256379e-11 1.01078369e-01 -7.18189083e-02] [-1.34168642e-11 -1.01078369e-01 7.18189084e-02] [-1.15906959e-11 -1.54296348e-01 3.77162584e-02] [-1.18848478e-11 1.54296348e-01 -3.77162584e-02] [-9.63755746e-12 1.01078369e-01 -7.18189083e-02] [ 1.04643091e-11 -1.26663971e-01 -7.39387472e-02] [ 1.18384452e-11 1.26663971e-01 7.39387472e-02] [-1.31124305e-11 -1.26663971e-01 -7.39387472e-02] [-1.13943395e-11 1.26663971e-01 7.39387472e-02] [ 1.12231734e-11 1.11100913e-01 -2.73443166e-03] [ 1.04354368e-11 -1.11100912e-01 2.73443165e-03] [-8.73791228e-12 1.11100912e-01 -2.73443165e-03] [-1.02837228e-11 -1.11100912e-01 2.73443165e-03]] Final stress: [ 2.90525392e-03 -2.74309590e-03 -2.94539977e-03 -1.35296208e-02 -1.55084147e-14 1.71897061e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 8.28064852e-12 1.54296348e-01 3.77162585e-02] [ 9.25807087e-12 1.01078369e-01 7.18189083e-02] [ 2.61438256e-12 -1.01078369e-01 -7.18189084e-02] [ 1.09137144e-11 -1.54296348e-01 -3.77162584e-02] [-1.12242736e-11 1.54296348e-01 3.77162585e-02] [-3.01254768e-12 1.01078369e-01 7.18189083e-02] [-9.41836550e-12 -1.01078369e-01 -7.18189084e-02] [-8.73129802e-12 -1.54296348e-01 -3.77162584e-02] [ 1.08430357e-11 -1.26663971e-01 7.39387472e-02] [ 1.27554235e-11 1.26663971e-01 -7.39387472e-02] [-1.24536371e-11 -1.26663971e-01 7.39387472e-02] [-9.86861851e-12 1.26663971e-01 -7.39387472e-02] [ 1.08925755e-11 1.11100912e-01 2.73443165e-03] [ 9.36554916e-12 -1.11100912e-01 -2.73443166e-03] [-9.44937816e-12 1.11100912e-01 2.73443165e-03] [-1.07760805e-11 -1.11100912e-01 -2.73443166e-03]] Final stress: [ 2.90525392e-03 -2.74309590e-03 -2.94539977e-03 1.35296208e-02 1.81394341e-14 2.34989075e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.55398231e-12 -2.81584261e-01 6.06661352e-02] [-6.60404890e-13 -1.47442515e-01 8.84438597e-02] [-2.74950288e-12 1.47442515e-01 -8.84438597e-02] [-2.29721190e-12 2.81584261e-01 -6.06661351e-02] [ 2.99027057e-12 -2.81584261e-01 6.06661351e-02] [ 2.92758656e-12 -1.47442515e-01 8.84438597e-02] [ 1.44399705e-12 1.47442515e-01 -8.84438597e-02] [-1.24451556e-12 2.81584261e-01 -6.06661351e-02] [-1.10293068e-12 1.69005727e-01 -6.27318518e-02] [-4.72080101e-12 -1.69005727e-01 6.27318518e-02] [-4.41366626e-12 1.69005727e-01 -6.27318518e-02] [-9.26815482e-13 -1.69005727e-01 6.27318518e-02] [ 3.98484978e-12 -2.84701281e-01 -4.92053012e-02] [ 6.68594628e-13 2.84701282e-01 4.92053012e-02] [ 7.55781031e-13 -2.84701282e-01 -4.92053012e-02] [ 3.79004808e-12 2.84701281e-01 4.92053012e-02]] Final stress: [-2.88903613e-03 4.24824798e-03 2.04832336e-03 -3.15706126e-02 2.64152277e-14 1.60973292e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.38141602e-13 1.47442717e-01 8.84453021e-02] [-1.76327160e-12 2.81584734e-01 6.06675888e-02] [ 6.40439741e-13 -2.81584734e-01 -6.06675888e-02] [ 1.18228777e-12 -1.47442717e-01 -8.84453021e-02] [-5.23780780e-13 1.47442717e-01 8.84453021e-02] [ 2.56546520e-13 2.81584734e-01 6.06675888e-02] [ 2.26689739e-12 -2.81584734e-01 -6.06675888e-02] [ 1.30515976e-12 -1.47442717e-01 -8.84453021e-02] [-2.71738318e-12 1.69007371e-01 6.27319922e-02] [-1.74356449e-12 -1.69007371e-01 -6.27319922e-02] [ 7.14372788e-13 1.69007371e-01 6.27319922e-02] [-1.62719274e-12 -1.69007371e-01 -6.27319922e-02] [-1.07801268e-12 -2.84702996e-01 4.92053403e-02] [ 7.95475339e-13 2.84702996e-01 -4.92053403e-02] [ 1.74741349e-12 -2.84702996e-01 4.92053403e-02] [ 9.85139135e-13 2.84702996e-01 -4.92053403e-02]] Final stress: [-2.88904573e-03 4.24826450e-03 2.04832061e-03 3.15706550e-02 -1.74951525e-14 -5.54897545e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.18336773e-12 -7.84129533e-01 -2.38629707e-02] [ 1.18472356e-11 -9.24874148e-01 -2.14932861e-01] [ 9.67504007e-12 9.24874148e-01 2.14932861e-01] [ 4.57070319e-12 7.84129533e-01 2.38629707e-02] [-4.71845241e-12 -7.84129533e-01 -2.38629706e-02] [-9.98370830e-12 -9.24874148e-01 -2.14932861e-01] [-1.24048951e-11 9.24874148e-01 2.14932861e-01] [-5.26090001e-12 7.84129533e-01 2.38629707e-02] [ 1.77735981e-11 5.12413386e-01 -4.65753385e-01] [ 2.24453650e-11 -5.12413386e-01 4.65753385e-01] [-1.21387827e-11 5.12413386e-01 -4.65753385e-01] [-9.70422744e-12 -5.12413386e-01 4.65753385e-01] [ 1.05547580e-11 -6.65540912e-01 -3.88339670e-02] [ 8.06383443e-12 6.65540912e-01 3.88339670e-02] [-1.57208706e-11 -6.65540912e-01 -3.88339670e-02] [-2.01751633e-11 6.65540912e-01 3.88339670e-02]] Final stress: [-1.32805105e-02 1.00693094e-02 5.62482337e-03 -9.76906202e-02 1.46391558e-14 4.07401260e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.42687044e-12 9.24867476e-01 -2.14920189e-01] [ 9.61929039e-12 7.84125910e-01 -2.38531445e-02] [ 1.06655163e-11 -7.84125910e-01 2.38531445e-02] [-1.30222569e-12 -9.24867476e-01 2.14920189e-01] [ 1.20434782e-12 9.24867476e-01 -2.14920189e-01] [-1.06127169e-11 7.84125910e-01 -2.38531445e-02] [-9.84531846e-12 -7.84125910e-01 2.38531445e-02] [-3.64813366e-12 -9.24867476e-01 2.14920189e-01] [ 1.46165328e-11 5.12408957e-01 4.65749534e-01] [ 2.15703453e-11 -5.12408957e-01 -4.65749534e-01] [-6.69375894e-12 5.12408957e-01 4.65749534e-01] [-9.73719152e-12 -5.12408957e-01 -4.65749534e-01] [ 5.79265542e-12 -6.65535812e-01 3.88345475e-02] [ 8.49689302e-12 6.65535813e-01 -3.88345475e-02] [-1.32622400e-11 -6.65535812e-01 3.88345475e-02] [-2.02966457e-11 6.65535813e-01 -3.88345475e-02]] Final stress: [-1.32802205e-02 1.00691806e-02 5.62462211e-03 9.76901645e-02 1.53140759e-14 1.55703503e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.46757732e-03 -3.33890826e-02 3.01969998e-02] [-1.54250442e-03 -3.21723420e-02 2.70650737e-02] [ 1.54250443e-03 3.21723420e-02 -2.70650737e-02] [ 1.46757732e-03 3.33890826e-02 -3.01969998e-02] [-1.46757732e-03 -3.33890826e-02 3.01969999e-02] [-1.54250443e-03 -3.21723420e-02 2.70650737e-02] [ 1.54250442e-03 3.21723420e-02 -2.70650737e-02] [ 1.46757732e-03 3.33890826e-02 -3.01969998e-02] [ 3.82179968e-05 4.46020581e-02 -1.38550977e-02] [-3.82179933e-05 -4.46020581e-02 1.38550977e-02] [ 3.82179959e-05 4.46020581e-02 -1.38550977e-02] [-3.82179973e-05 -4.46020581e-02 1.38550977e-02] [-1.48479493e-05 -4.85114584e-02 -3.60428395e-03] [ 1.48479506e-05 4.85114584e-02 3.60428395e-03] [-1.48479502e-05 -4.85114584e-02 -3.60428395e-03] [ 1.48479471e-05 4.85114584e-02 3.60428395e-03]] Final stress: [-4.16732788e-04 4.51709468e-04 8.72594573e-05 -3.61807940e-03 -1.01007789e-05 3.06408280e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.46754563e-03 -3.33890816e-02 3.01970074e-02] [ 1.54247267e-03 -3.21723394e-02 2.70650822e-02] [-1.54247268e-03 3.21723394e-02 -2.70650822e-02] [-1.46754563e-03 3.33890816e-02 -3.01970074e-02] [ 1.46754563e-03 -3.33890816e-02 3.01970074e-02] [ 1.54247268e-03 -3.21723394e-02 2.70650822e-02] [-1.54247267e-03 3.21723394e-02 -2.70650822e-02] [-1.46754563e-03 3.33890816e-02 -3.01970074e-02] [-3.82179516e-05 4.46020530e-02 -1.38550964e-02] [ 3.82179433e-05 -4.46020530e-02 1.38550964e-02] [-3.82179400e-05 4.46020530e-02 -1.38550964e-02] [ 3.82179481e-05 -4.46020530e-02 1.38550964e-02] [ 1.48479292e-05 -4.85114540e-02 -3.60428415e-03] [-1.48479362e-05 4.85114540e-02 3.60428415e-03] [ 1.48479394e-05 -4.85114540e-02 -3.60428415e-03] [-1.48479321e-05 4.85114540e-02 3.60428415e-03]] Final stress: [-4.16732542e-04 4.51709367e-04 8.72592654e-05 -3.61807924e-03 1.01002143e-05 -3.06408533e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.54247268e-03 3.21723394e-02 2.70650822e-02] [-1.46754563e-03 3.33890816e-02 3.01970074e-02] [ 1.46754562e-03 -3.33890816e-02 -3.01970074e-02] [ 1.54247268e-03 -3.21723394e-02 -2.70650822e-02] [-1.54247268e-03 3.21723394e-02 2.70650822e-02] [-1.46754563e-03 3.33890816e-02 3.01970074e-02] [ 1.46754563e-03 -3.33890816e-02 -3.01970074e-02] [ 1.54247268e-03 -3.21723394e-02 -2.70650822e-02] [-3.82179424e-05 4.46020530e-02 1.38550964e-02] [ 3.82179477e-05 -4.46020530e-02 -1.38550964e-02] [-3.82179409e-05 4.46020530e-02 1.38550964e-02] [ 3.82179476e-05 -4.46020530e-02 -1.38550964e-02] [ 1.48479298e-05 -4.85114540e-02 3.60428415e-03] [-1.48479357e-05 4.85114540e-02 -3.60428415e-03] [ 1.48479311e-05 -4.85114540e-02 3.60428415e-03] [-1.48479359e-05 4.85114540e-02 -3.60428415e-03]] Final stress: [-4.16732542e-04 4.51709367e-04 8.72592654e-05 3.61807924e-03 -1.01002143e-05 -3.06408551e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.54249807e-03 3.21723415e-02 2.70650754e-02] [ 1.46757098e-03 3.33890824e-02 3.01970013e-02] [-1.46757099e-03 -3.33890824e-02 -3.01970014e-02] [-1.54249807e-03 -3.21723415e-02 -2.70650754e-02] [ 1.54249807e-03 3.21723415e-02 2.70650754e-02] [ 1.46757099e-03 3.33890824e-02 3.01970014e-02] [-1.46757098e-03 -3.33890824e-02 -3.01970013e-02] [-1.54249807e-03 -3.21723415e-02 -2.70650754e-02] [ 3.82179792e-05 4.46020571e-02 1.38550975e-02] [-3.82179820e-05 -4.46020571e-02 -1.38550975e-02] [ 3.82179871e-05 4.46020571e-02 1.38550975e-02] [-3.82179877e-05 -4.46020571e-02 -1.38550975e-02] [-1.48479481e-05 -4.85114575e-02 3.60428399e-03] [ 1.48479486e-05 4.85114575e-02 -3.60428399e-03] [-1.48479410e-05 -4.85114575e-02 3.60428399e-03] [ 1.48479436e-05 4.85114575e-02 -3.60428399e-03]] Final stress: [-4.16732738e-04 4.51709448e-04 8.72594190e-05 3.61807937e-03 1.01006660e-05 3.06408368e-07] Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 5 steps. Minimization converged after 5 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 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.28880867e-13 -1.18911343e-01 9.72614823e-02] [-7.36919206e-13 -1.01004439e-01 1.03067555e-01] [ 1.41392030e-12 1.01004439e-01 -1.03067555e-01] [ 7.52046862e-13 1.18911343e-01 -9.72614823e-02] [-1.20427236e-12 -1.18911343e-01 9.72614823e-02] [-1.83967598e-12 -1.01004439e-01 1.03067555e-01] [ 1.55225442e-13 1.01004439e-01 -1.03067555e-01] [-9.66461720e-13 1.18911343e-01 -9.72614823e-02] [ 6.42411840e-12 7.06568050e-02 -3.43751292e-02] [ 5.35160718e-12 -7.06568049e-02 3.43751292e-02] [-1.35749376e-13 7.06568050e-02 -3.43751292e-02] [-8.85790573e-13 -7.06568049e-02 3.43751292e-02] [ 4.14993560e-13 -1.93742738e-01 -2.78514306e-02] [ 8.45802324e-13 1.93742738e-01 2.78514306e-02] [-5.56678541e-12 -1.93742738e-01 -2.78514306e-02] [-4.54212948e-12 1.93742738e-01 2.78514306e-02]] Final stress: [-2.14624479e-03 7.32351050e-04 -8.47158875e-04 -1.62079361e-02 -1.03479788e-14 -9.47746593e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 7.33017163e-14 1.01004412e-01 1.03067729e-01] [-3.29888742e-12 1.18911349e-01 9.72616502e-02] [-1.87612838e-12 -1.18911349e-01 -9.72616502e-02] [-9.72997724e-14 -1.01004412e-01 -1.03067729e-01] [ 6.00049090e-13 1.01004412e-01 1.03067729e-01] [ 1.32210519e-12 1.18911349e-01 9.72616502e-02] [ 3.91822534e-12 -1.18911349e-01 -9.72616502e-02] [-5.55170276e-13 -1.01004412e-01 -1.03067729e-01] [ 1.55391000e-12 7.06566992e-02 3.43751214e-02] [-2.68367880e-12 -7.06566992e-02 -3.43751214e-02] [ 3.77439833e-13 7.06566992e-02 3.43751214e-02] [-5.95018826e-14 -7.06566992e-02 -3.43751214e-02] [-1.69353247e-13 -1.93742644e-01 2.78514316e-02] [-6.25638864e-16 1.93742644e-01 -2.78514316e-02] [-9.48315902e-13 -1.93742644e-01 2.78514316e-02] [ 1.83704213e-12 1.93742644e-01 -2.78514316e-02]] Final stress: [-2.14623958e-03 7.32348941e-04 -8.47162972e-04 1.62079351e-02 -6.31153932e-15 -1.08666514e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 6.26729701e-12 -2.16449326e-01 6.33127975e-03] [ 2.13446687e-12 -2.06897997e-01 -2.94503213e-02] [-5.03525173e-13 2.06897997e-01 2.94503213e-02] [ 4.05553455e-12 2.16449326e-01 -6.33127972e-03] [-4.49456997e-12 -2.16449326e-01 6.33127976e-03] [ 2.41643944e-13 -2.06897997e-01 -2.94503213e-02] [-2.60202276e-12 2.06897997e-01 2.94503213e-02] [-6.37423989e-12 2.16449326e-01 -6.33127972e-03] [ 1.44436787e-11 -2.08160644e-01 -1.14712337e-01] [ 1.22548603e-11 2.08160644e-01 1.14712337e-01] [-8.17337398e-12 -2.08160644e-01 -1.14712337e-01] [-1.00841943e-11 2.08160644e-01 1.14712337e-01] [ 7.62062071e-12 2.02194089e-01 -5.70706083e-03] [ 9.02235095e-12 -2.02194089e-01 5.70706082e-03] [-1.29434347e-11 2.02194089e-01 -5.70706083e-03] [-1.08615339e-11 -2.02194089e-01 5.70706081e-03]] Final stress: [ 4.60458326e-03 -2.30292467e-03 -2.37102200e-03 -2.39308632e-02 2.12180125e-14 -1.44696195e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.92636629e-12 2.06897997e-01 -2.94503213e-02] [ 7.48064631e-12 2.16449326e-01 6.33127974e-03] [ 8.09086272e-12 -2.16449326e-01 -6.33127977e-03] [ 7.05391908e-12 -2.06897997e-01 2.94503213e-02] [-6.61494850e-12 2.06897997e-01 -2.94503213e-02] [-8.27518176e-12 2.16449326e-01 6.33127975e-03] [-7.22567373e-12 -2.16449326e-01 -6.33127977e-03] [-3.96229967e-12 -2.06897997e-01 2.94503213e-02] [ 1.46113319e-11 -2.08160644e-01 1.14712337e-01] [ 1.00364352e-11 2.08160644e-01 -1.14712337e-01] [-9.86156610e-12 -2.08160644e-01 1.14712337e-01] [-1.03338596e-11 2.08160644e-01 -1.14712337e-01] [ 8.69643160e-12 2.02194089e-01 5.70706085e-03] [ 8.79665736e-12 -2.02194089e-01 -5.70706083e-03] [-1.31522576e-11 2.02194089e-01 5.70706085e-03] [-9.26270749e-12 -2.02194089e-01 -5.70706084e-03]] Final stress: [ 4.60458326e-03 -2.30292467e-03 -2.37102200e-03 2.39308632e-02 -1.68846889e-14 -1.21378147e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.14566199e-11 -6.44663514e-02 -4.54698474e-02] [ 2.23157935e-11 -2.58083751e-01 -9.44357929e-02] [ 1.66652185e-11 2.58083751e-01 9.44357929e-02] [ 2.31994892e-11 6.44663514e-02 4.54698475e-02] [-2.30928964e-11 -6.44663514e-02 -4.54698474e-02] [-1.66529221e-11 -2.58083751e-01 -9.44357929e-02] [-2.19165418e-11 2.58083751e-01 9.44357929e-02] [-2.16053501e-11 6.44663514e-02 4.54698475e-02] [ 1.95677101e-11 1.85244551e-01 -9.49277192e-02] [ 1.95043964e-11 -1.85244551e-01 9.49277192e-02] [-2.54104369e-11 1.85244551e-01 -9.49277192e-02] [-2.25283572e-11 -1.85244551e-01 9.49277192e-02] [ 2.21847033e-11 -9.14791280e-02 -2.32113791e-03] [ 2.01896792e-11 9.14791280e-02 2.32113790e-03] [-1.71317941e-11 -9.14791280e-02 -2.32113792e-03] [-1.67539134e-11 9.14791281e-02 2.32113790e-03]] Final stress: [-5.18821334e-03 2.13355004e-04 1.31264146e-03 -1.72029719e-02 1.69254088e-14 1.50958220e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.31438087e-11 2.58083751e-01 -9.44357928e-02] [ 2.09430891e-11 6.44663513e-02 -4.54698474e-02] [ 2.72872171e-11 -6.44663513e-02 4.54698474e-02] [ 2.88338580e-11 -2.58083751e-01 9.44357928e-02] [-2.87601226e-11 2.58083751e-01 -9.44357928e-02] [-2.69967772e-11 6.44663513e-02 -4.54698474e-02] [-2.12893168e-11 -6.44663513e-02 4.54698474e-02] [-2.32361617e-11 -2.58083751e-01 9.44357928e-02] [ 1.90243632e-11 1.85244551e-01 9.49277191e-02] [ 2.36808663e-11 -1.85244551e-01 -9.49277191e-02] [-2.62519328e-11 1.85244551e-01 9.49277191e-02] [-2.46362089e-11 -1.85244551e-01 -9.49277191e-02] [ 2.31297499e-11 -9.14791279e-02 2.32113791e-03] [ 2.17348165e-11 9.14791280e-02 -2.32113791e-03] [-1.62147337e-11 -9.14791280e-02 2.32113791e-03] [-2.03974951e-11 9.14791280e-02 -2.32113791e-03]] Final stress: [-5.18821334e-03 2.13355004e-04 1.31264146e-03 1.72029719e-02 -5.19313689e-14 2.65960288e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.43658290e-11 -2.08013139e+00 1.53332818e+00] [-1.63271943e-10 -4.12154914e-01 2.04677900e+00] [-2.11556625e-10 4.12154914e-01 -2.04677900e+00] [-7.15958178e-11 2.08013139e+00 -1.53332818e+00] [ 7.24367053e-11 -2.08013139e+00 1.53332818e+00] [ 2.22476573e-10 -4.12154914e-01 2.04677900e+00] [ 1.70022818e-10 4.12154914e-01 -2.04677900e+00] [ 8.73547686e-11 2.08013139e+00 -1.53332818e+00] [-1.51634731e-10 1.56262201e-01 -5.17911492e-01] [-1.02586870e-10 -1.56262201e-01 5.17911492e-01] [ 5.81108962e-11 1.56262201e-01 -5.17911492e-01] [ 8.01719979e-11 -1.56262200e-01 5.17911492e-01] [-4.16330252e-11 -2.33648720e+00 -3.84157063e-01] [-5.63467468e-11 2.33648720e+00 3.84157063e-01] [ 1.15756890e-10 -2.33648720e+00 -3.84157063e-01] [ 7.66588451e-11 2.33648720e+00 3.84157063e-01]] Final stress: [ 1.01922141e-02 2.51023051e-02 -1.42071807e-02 -1.88874706e-01 1.37728039e-13 3.29039164e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.08196222e-10 4.12154648e-01 2.04678057e+00] [-1.50911586e-10 2.08013129e+00 1.53332971e+00] [-9.22514895e-11 -2.08013129e+00 -1.53332971e+00] [-3.69704291e-10 -4.12154648e-01 -2.04678057e+00] [ 3.59764794e-10 4.12154648e-01 2.04678057e+00] [ 9.81331470e-11 2.08013129e+00 1.53332971e+00] [ 1.46627015e-10 -2.08013129e+00 -1.53332971e+00] [-8.66746308e-11 -4.12154648e-01 -2.04678057e+00] [-1.93344380e-10 1.56260932e-01 5.17911435e-01] [-1.37420051e-10 -1.56260932e-01 -5.17911435e-01] [ 1.23563705e-10 1.56260932e-01 5.17911435e-01] [ 5.27807806e-11 -1.56260932e-01 -5.17911435e-01] [-6.86223747e-11 -2.33648586e+00 3.84157053e-01] [-6.80283272e-11 2.33648586e+00 -3.84157053e-01] [ 1.84558350e-10 -2.33648586e+00 3.84157053e-01] [ 9.33179551e-11 2.33648586e+00 -3.84157053e-01]] Final stress: [ 1.01922658e-02 2.51022820e-02 -1.42072265e-02 1.88874683e-01 1.42557586e-12 -5.35843768e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.93067998e-11 -1.10607744e-01 3.39251401e-02] [ 2.27803397e-11 -1.98207070e-01 -1.15356949e-02] [ 2.15753939e-11 1.98207070e-01 1.15356949e-02] [ 2.68825743e-11 1.10607744e-01 -3.39251401e-02] [-2.69271117e-11 -1.10607744e-01 3.39251401e-02] [-2.13416906e-11 -1.98207070e-01 -1.15356949e-02] [-2.27471472e-11 1.98207070e-01 1.15356949e-02] [-2.89574343e-11 1.10607744e-01 -3.39251401e-02] [ 2.69585660e-11 3.36521510e-02 -9.19520330e-02] [ 3.04102559e-11 -3.36521511e-02 9.19520330e-02] [-2.77762751e-11 3.36521510e-02 -9.19520330e-02] [-3.02597405e-11 -3.36521511e-02 9.19520330e-02] [ 2.41902674e-11 -4.84433105e-02 -2.47242655e-03] [ 2.63656809e-11 4.84433105e-02 2.47242655e-03] [-2.35186921e-11 -4.84433105e-02 -2.47242655e-03] [-2.69495156e-11 4.84433105e-02 2.47242655e-03]] Final stress: [-1.71592400e-03 -7.90599161e-04 -7.34345362e-04 -1.64271109e-02 1.59359294e-14 7.22612008e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.87833999e-11 1.98205682e-01 -1.15402871e-02] [ 2.81655239e-11 1.10606674e-01 3.39198682e-02] [ 1.70835875e-11 -1.10606674e-01 -3.39198683e-02] [ 2.88175664e-11 -1.98205682e-01 1.15402871e-02] [-2.84525717e-11 1.98205682e-01 -1.15402871e-02] [-1.70856380e-11 1.10606674e-01 3.39198682e-02] [-2.78094759e-11 -1.10606674e-01 -3.39198683e-02] [-2.90397580e-11 -1.98205682e-01 1.15402871e-02] [ 3.21435979e-11 3.36491230e-02 9.19511183e-02] [ 2.81100247e-11 -3.36491230e-02 -9.19511183e-02] [-3.34770680e-11 3.36491230e-02 9.19511183e-02] [-2.74429212e-11 -3.36491230e-02 -9.19511183e-02] [ 2.87101783e-11 -4.84404874e-02 2.47251710e-03] [ 2.42620017e-11 4.84404874e-02 -2.47251710e-03] [-2.86460521e-11 -4.84404874e-02 2.47251711e-03] [-2.41203189e-11 4.84404874e-02 -2.47251710e-03]] Final stress: [-1.71594032e-03 -7.90600994e-04 -7.34287122e-04 1.64270047e-02 5.04911500e-14 6.53903738e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.32961878e-11 -1.29156189e-01 5.61755364e-02] [-1.26794011e-11 -6.42830559e-02 6.56856712e-02] [-1.14951930e-11 6.42830559e-02 -6.56856712e-02] [-1.34887743e-11 1.29156189e-01 -5.61755364e-02] [ 1.40405437e-11 -1.29156189e-01 5.61755364e-02] [ 1.14527944e-11 -6.42830559e-02 6.56856712e-02] [ 1.31818284e-11 6.42830559e-02 -6.56856712e-02] [ 1.32562125e-11 1.29156189e-01 -5.61755364e-02] [-1.09405872e-11 9.96242761e-02 -2.87811407e-02] [-1.16263821e-11 -9.96242761e-02 2.87811407e-02] [ 9.10527946e-12 9.96242762e-02 -2.87811407e-02] [ 1.37978895e-11 -9.96242762e-02 2.87811407e-02] [-7.98766218e-12 -1.64911000e-01 -2.22478798e-02] [-1.21591361e-11 1.64911000e-01 2.22478798e-02] [ 8.96778441e-12 -1.64911000e-01 -2.22478798e-02] [ 9.85994478e-12 1.64911000e-01 2.22478798e-02]] Final stress: [-1.67972240e-03 2.00851993e-03 6.83457585e-04 -1.40991181e-02 -4.02495814e-15 1.03997231e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.30887225e-12 6.42830522e-02 6.56857002e-02] [-3.90720746e-12 1.29156190e-01 5.61755646e-02] [-2.91712173e-12 -1.29156190e-01 -5.61755646e-02] [-1.25518155e-11 -6.42830523e-02 -6.56857002e-02] [ 1.17847749e-11 6.42830522e-02 6.56857002e-02] [ 3.61309246e-12 1.29156190e-01 5.61755646e-02] [ 3.48830047e-12 -1.29156190e-01 -5.61755646e-02] [ 8.95050223e-12 -6.42830523e-02 -6.56857002e-02] [-1.05716512e-11 9.96242661e-02 2.87811395e-02] [-7.59518490e-12 -9.96242661e-02 -2.87811395e-02] [ 1.26218834e-11 9.96242661e-02 2.87811395e-02] [ 5.43981006e-12 -9.96242661e-02 -2.87811395e-02] [-1.10420054e-11 -1.64910991e-01 2.22478800e-02] [-4.80299660e-12 1.64910991e-01 -2.22478800e-02] [ 9.20982619e-12 -1.64910991e-01 2.22478800e-02] [ 6.58196230e-12 1.64910991e-01 -2.22478800e-02]] Final stress: [-1.67972170e-03 2.00851965e-03 6.83456978e-04 1.40991179e-02 1.40544842e-14 -2.43018176e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.85203501e-12 -1.94757968e-01 1.09641214e-01] [-2.36608129e-12 -2.00471601e-01 8.14049699e-02] [-4.49318631e-12 2.00471601e-01 -8.14049699e-02] [-6.02131799e-12 1.94757968e-01 -1.09641214e-01] [ 6.21777445e-12 -1.94757968e-01 1.09641214e-01] [ 4.10209366e-12 -2.00471601e-01 8.14049699e-02] [ 2.51810378e-12 2.00471601e-01 -8.14049699e-02] [ 4.44455930e-12 1.94757968e-01 -1.09641214e-01] [-1.01919688e-12 2.24169151e-01 -9.75568854e-02] [ 1.65277080e-12 -2.24169151e-01 9.75568854e-02] [-6.92509743e-13 2.24169151e-01 -9.75568854e-02] [ 3.38013688e-12 -2.24169151e-01 9.75568854e-02] [ 6.69713417e-13 -2.47479953e-01 -1.42807463e-02] [-2.66519001e-12 2.47479953e-01 1.42807463e-02] [ 8.32196183e-13 -2.47479953e-01 -1.42807463e-02] [-1.70892483e-12 2.47479953e-01 1.42807462e-02]] Final stress: [-3.55847595e-03 2.51003970e-03 9.46544739e-04 -2.31287439e-02 1.47688070e-14 2.87765592e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.02749817e-12 2.00470272e-01 8.14086065e-02] [-6.83641208e-12 1.94757336e-01 1.09644358e-01] [-2.85283689e-12 -1.94757336e-01 -1.09644358e-01] [-2.94235556e-12 -2.00470272e-01 -8.14086064e-02] [ 3.03449898e-12 2.00470272e-01 8.14086064e-02] [ 2.47081956e-12 1.94757336e-01 1.09644358e-01] [ 6.88948855e-12 -1.94757336e-01 -1.09644358e-01] [ 2.59448105e-12 -2.00470272e-01 -8.14086065e-02] [ 1.85292493e-12 2.24167125e-01 9.75561718e-02] [ 6.98039716e-13 -2.24167125e-01 -9.75561718e-02] [ 2.62510825e-13 2.24167125e-01 9.75561718e-02] [ 7.12451799e-13 -2.24167125e-01 -9.75561718e-02] [ 1.45929276e-13 -2.47478122e-01 1.42808462e-02] [-5.83999320e-13 2.47478122e-01 -1.42808462e-02] [-1.46262349e-12 -2.47478122e-01 1.42808462e-02] [-9.64570627e-13 2.47478122e-01 -1.42808462e-02]] Final stress: [-3.55837407e-03 2.50999789e-03 9.46465835e-04 2.31286586e-02 -1.79255033e-14 -9.55251376e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.32334632 -2.18701649 3.04649595] [ 0.41023181 -3.7625524 1.20635976] [-0.41023181 3.7625524 -1.20635976] [-0.32334632 2.18701649 -3.04649595] [ 0.32334632 -2.18701649 3.04649595] [ 0.41023181 -3.7625524 1.20635976] [-0.41023181 3.7625524 -1.20635976] [-0.32334632 2.18701649 -3.04649595] [-0.08153058 0.63555388 -2.28985031] [ 0.08153058 -0.63555388 2.28985031] [-0.08153058 0.63555388 -2.28985031] [ 0.08153058 -0.63555388 2.28985031] [ 0.02108461 -4.3568769 -1.03094362] [-0.02108461 4.3568769 1.03094362] [ 0.02108461 -4.3568769 -1.03094362] [-0.02108461 4.3568769 1.03094362]] Final stress: [-4.84864862e-03 3.17326895e-02 -3.98365791e-02 -4.72901294e-01 5.54444510e-03 -4.27431947e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.32334357 -2.18701911 3.04651906] [-0.41022906 -3.76257217 1.20636588] [ 0.41022906 3.76257217 -1.20636588] [ 0.32334357 2.18701911 -3.04651906] [-0.32334357 -2.18701911 3.04651906] [-0.41022906 -3.76257217 1.20636587] [ 0.41022906 3.76257217 -1.20636588] [ 0.32334357 2.18701911 -3.04651906] [ 0.08153052 0.6355408 -2.2898685 ] [-0.08153052 -0.6355408 2.2898685 ] [ 0.08153052 0.6355408 -2.2898685 ] [-0.08153052 -0.6355408 2.2898685 ] [-0.02108459 -4.35689455 -1.03094915] [ 0.02108459 4.35689455 1.03094915] [-0.02108459 -4.35689455 -1.03094915] [ 0.02108459 4.35689455 1.03094915]] Final stress: [-4.84845710e-03 3.17325559e-02 -3.98370659e-02 -4.72903563e-01 -5.54439213e-03 4.27480990e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.4102222 3.76255226 1.20635452] [ 0.32333887 2.18701636 3.0464904 ] [-0.32333887 -2.18701636 -3.0464904 ] [-0.4102222 -3.76255226 -1.20635452] [ 0.4102222 3.76255226 1.20635452] [ 0.32333887 2.18701636 3.04649039] [-0.32333887 -2.18701636 -3.04649039] [-0.4102222 -3.76255226 -1.20635452] [ 0.08152857 0.63555537 2.28984953] [-0.08152857 -0.63555537 -2.28984954] [ 0.08152857 0.63555537 2.28984953] [-0.08152857 -0.63555536 -2.28984954] [-0.02108409 -4.35687634 1.03094309] [ 0.02108409 4.35687634 -1.03094309] [-0.02108409 -4.35687634 1.03094309] [ 0.02108409 4.35687634 -1.03094309]] Final stress: [-4.84873090e-03 3.17327119e-02 -3.98364536e-02 4.72901191e-01 5.54431779e-03 4.27403858e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.41022906 3.76257217 1.20636588] [-0.32334357 2.18701911 3.04651906] [ 0.32334357 -2.18701911 -3.04651906] [ 0.41022906 -3.76257217 -1.20636587] [-0.41022906 3.76257217 1.20636588] [-0.32334357 2.18701911 3.04651906] [ 0.32334357 -2.18701911 -3.04651906] [ 0.41022906 -3.76257217 -1.20636588] [-0.08153052 0.6355408 2.2898685 ] [ 0.08153052 -0.6355408 -2.2898685 ] [-0.08153052 0.6355408 2.2898685 ] [ 0.08153052 -0.6355408 -2.2898685 ] [ 0.02108459 -4.35689455 1.03094915] [-0.02108459 4.35689455 -1.03094915] [ 0.02108459 -4.35689455 1.03094915] [-0.02108459 4.35689455 -1.03094915]] Final stress: [-4.84845712e-03 3.17325559e-02 -3.98370659e-02 4.72903563e-01 -5.54439213e-03 -4.27480968e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.67379956 -0.70457296 0.71409148] [ 0.75036863 -0.67212261 0.67271669] [-0.75036863 0.67212261 -0.67271669] [ 0.67379956 0.70457296 -0.71409148] [-0.67379956 -0.70457296 0.71409148] [ 0.75036863 -0.67212261 0.67271669] [-0.75036863 0.67212261 -0.67271668] [ 0.67379956 0.70457296 -0.71409148] [ 0.14141302 0.36305986 -0.27300271] [-0.14141302 -0.36305986 0.27300271] [ 0.14141302 0.36305986 -0.27300271] [-0.14141302 -0.36305986 0.27300271] [-0.48086305 -0.78175031 -0.17706592] [ 0.48086305 0.78175031 0.17706592] [-0.48086305 -0.78175031 -0.17706592] [ 0.48086305 0.78175031 0.17706592]] Final stress: [-0.00330179 0.00481915 -0.0081869 -0.10039012 -0.00243381 -0.01324476] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.67379964 -0.70457296 0.71409165] [-0.75036873 -0.67212256 0.67271687] [ 0.75036873 0.67212256 -0.67271687] [-0.67379964 0.70457296 -0.71409165] [ 0.67379964 -0.70457296 0.71409165] [-0.75036873 -0.67212256 0.67271687] [ 0.75036873 0.67212256 -0.67271687] [-0.67379964 0.70457296 -0.71409165] [-0.14141267 0.36305976 -0.27300269] [ 0.14141267 -0.36305976 0.27300269] [-0.14141267 0.36305976 -0.27300269] [ 0.14141267 -0.36305976 0.27300269] [ 0.48086274 -0.78175022 -0.17706592] [-0.48086274 0.78175022 0.17706592] [ 0.48086274 -0.78175022 -0.17706592] [-0.48086274 0.78175022 0.17706592]] Final stress: [-0.00330179 0.00481915 -0.0081869 -0.10039012 0.00243381 0.01324475] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.75036878 0.67212253 0.67271696] [ 0.67379968 0.70457296 0.71409173] [-0.67379968 -0.70457296 -0.71409173] [ 0.75036878 -0.67212253 -0.67271696] [-0.75036878 0.67212253 0.67271696] [ 0.67379968 0.70457296 0.71409173] [-0.67379968 -0.70457296 -0.71409173] [ 0.75036878 -0.67212253 -0.67271696] [ 0.14141249 0.36305971 0.27300268] [-0.14141249 -0.36305971 -0.27300268] [ 0.14141249 0.36305971 0.27300268] [-0.14141249 -0.36305971 -0.27300268] [-0.48086258 -0.78175017 0.17706592] [ 0.48086258 0.78175017 -0.17706592] [-0.48086258 -0.78175017 0.17706592] [ 0.48086258 0.78175017 -0.17706592]] Final stress: [-0.00330179 0.00481915 -0.0081869 0.10039011 0.00243381 -0.01324475] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.75036888 0.67212249 0.67271714] [-0.67379977 0.70457295 0.71409189] [ 0.67379977 -0.70457295 -0.71409189] [-0.75036888 -0.67212249 -0.67271714] [ 0.75036888 0.67212249 0.67271714] [-0.67379977 0.70457295 0.71409189] [ 0.67379977 -0.70457295 -0.71409189] [-0.75036888 -0.67212249 -0.67271714] [-0.14141213 0.3630596 0.27300266] [ 0.14141213 -0.3630596 -0.27300266] [-0.14141213 0.3630596 0.27300266] [ 0.14141213 -0.3630596 -0.27300266] [ 0.48086227 -0.78175008 0.17706592] [-0.48086227 0.78175008 -0.17706592] [ 0.48086227 -0.78175008 0.17706592] [-0.48086227 0.78175008 -0.17706592]] Final stress: [-0.00330178 0.00481915 -0.00818691 0.10039011 -0.00243381 0.01324474] Minimization converged after 5 steps. Minimization converged after 5 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 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.67032815e-13 -4.54774369e-02 2.05482982e-02] [-2.96960633e-12 -3.71592014e-02 2.49555274e-02] [ 2.65878259e-12 3.71592014e-02 -2.49555274e-02] [ 4.54239077e-13 4.54774369e-02 -2.05482982e-02] [-4.60598248e-13 -4.54774369e-02 2.05482982e-02] [-2.96912191e-12 -3.71592014e-02 2.49555274e-02] [ 2.91748993e-12 3.71592014e-02 -2.49555273e-02] [-4.59905551e-14 4.54774369e-02 -2.05482982e-02] [ 3.30082446e-12 1.00001065e-03 -1.10990260e-02] [ 7.88361564e-13 -1.00001064e-03 1.10990260e-02] [-4.56643187e-13 1.00001065e-03 -1.10990260e-02] [ 7.69545018e-13 -1.00001063e-03 1.10990260e-02] [ 7.07792332e-13 -6.20419281e-02 -1.10239035e-02] [-8.74235688e-13 6.20419281e-02 1.10239035e-02] [-2.69070981e-12 -6.20419281e-02 -1.10239035e-02] [-8.56225057e-13 6.20419281e-02 1.10239035e-02]] Final stress: [-6.91340415e-04 7.74158276e-05 -3.26260243e-04 -6.18287477e-03 -2.81585036e-14 -4.98629974e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.39964861e-13 3.71591314e-02 2.49560090e-02] [ 7.56088551e-13 4.54774597e-02 2.05487676e-02] [ 1.82235032e-12 -4.54774597e-02 -2.05487676e-02] [ 1.07093154e-14 -3.71591314e-02 -2.49560090e-02] [ 2.23505893e-13 3.71591314e-02 2.49560090e-02] [-1.96215700e-12 4.54774597e-02 2.05487676e-02] [-4.99574774e-13 -4.54774597e-02 -2.05487676e-02] [-7.87515235e-13 -3.71591314e-02 -2.49560090e-02] [ 2.42642516e-12 9.99711867e-04 1.10990088e-02] [-1.94409853e-12 -9.99711860e-04 -1.10990088e-02] [-7.02805869e-14 9.99711863e-04 1.10990088e-02] [ 3.66188416e-13 -9.99711866e-04 -1.10990088e-02] [ 1.06414443e-13 -6.20416658e-02 1.10239059e-02] [-5.77922747e-13 6.20416658e-02 -1.10239059e-02] [-2.07376591e-12 -6.20416658e-02 1.10239059e-02] [ 1.56927357e-12 6.20416658e-02 -1.10239059e-02]] Final stress: [-6.91325844e-04 7.74098761e-05 -3.26271649e-04 6.18287270e-03 -2.19192353e-15 -1.47801799e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.94019843e-11 -2.80242915e-01 -7.06906961e-02] [ 3.88014104e-11 -3.18784009e-01 -1.43717332e-01] [ 4.06653895e-11 3.18784009e-01 1.43717332e-01] [ 4.39967828e-11 2.80242915e-01 7.06906961e-02] [-4.41986252e-11 -2.80242915e-01 -7.06906961e-02] [-4.13714054e-11 -3.18784009e-01 -1.43717332e-01] [-3.89477231e-11 3.18784009e-01 1.43717332e-01] [-3.97754097e-11 2.80242915e-01 7.06906961e-02] [ 4.98375451e-11 2.04460323e-01 -1.71921293e-01] [ 6.05258422e-11 -2.04460323e-01 1.71921293e-01] [-4.57429439e-11 2.04460323e-01 -1.71921293e-01] [-4.90700557e-11 -2.04460323e-01 1.71921293e-01] [ 3.95949913e-11 -2.21251698e-01 -3.48686634e-03] [ 4.31467144e-11 2.21251698e-01 3.48686636e-03] [-4.28915618e-11 -2.21251698e-01 -3.48686637e-03] [-5.39719310e-11 2.21251698e-01 3.48686637e-03]] Final stress: [-6.50590185e-03 3.44121483e-03 3.84821384e-03 -3.26830354e-02 -2.86299681e-14 4.73462174e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.08791567e-11 3.18784009e-01 -1.43717332e-01] [ 4.18961545e-11 2.80242915e-01 -7.06906961e-02] [ 3.84105600e-11 -2.80242915e-01 7.06906960e-02] [ 4.44875040e-11 -3.18784009e-01 1.43717332e-01] [-4.50297254e-11 3.18784009e-01 -1.43717332e-01] [-3.78264490e-11 2.80242915e-01 -7.06906961e-02] [-4.25971325e-11 -2.80242915e-01 7.06906960e-02] [-4.01037788e-11 -3.18784009e-01 1.43717332e-01] [ 4.35266666e-11 2.04460323e-01 1.71921293e-01] [ 3.62142165e-11 -2.04460323e-01 -1.71921293e-01] [-4.34666183e-11 2.04460323e-01 1.71921293e-01] [-5.34759511e-11 -2.04460323e-01 -1.71921293e-01] [ 3.76939669e-11 -2.21251698e-01 3.48686641e-03] [ 4.77837115e-11 2.21251698e-01 -3.48686640e-03] [-3.83646706e-11 -2.21251698e-01 3.48686641e-03] [-3.00240656e-11 2.21251698e-01 -3.48686642e-03]] Final stress: [-6.50590185e-03 3.44121483e-03 3.84821384e-03 3.26830354e-02 2.13613170e-15 -9.45395671e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.08017997e-11 -1.60773214e-01 1.78151590e-01] [-4.30573064e-11 -5.28086310e-01 1.07279118e-01] [-9.14814220e-12 5.28086309e-01 -1.07279118e-01] [-1.65510054e-11 1.60773214e-01 -1.78151590e-01] [ 1.48791148e-11 -1.60773214e-01 1.78151590e-01] [ 9.63253479e-12 -5.28086310e-01 1.07279118e-01] [ 4.12465967e-11 5.28086310e-01 -1.07279118e-01] [ 3.98141299e-11 1.60773214e-01 -1.78151590e-01] [ 7.26557009e-12 3.82836208e-01 -1.43999670e-01] [-6.37363339e-12 -3.82836208e-01 1.43999670e-01] [-4.10343808e-12 3.82836208e-01 -1.43999670e-01] [-4.20546757e-12 -3.82836208e-01 1.43999670e-01] [ 7.67150883e-12 -3.62718554e-01 -7.54698582e-02] [ 3.78638305e-12 3.62718554e-01 7.54698582e-02] [-6.82821836e-12 -3.62718554e-01 -7.54698582e-02] [ 6.76660743e-12 3.62718554e-01 7.54698582e-02]] Final stress: [-9.08871885e-03 -6.65408746e-04 -2.60522668e-03 -4.80327412e-02 -2.55112552e-13 -4.81035649e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.39262329e-11 5.28085738e-01 1.07281485e-01] [-1.88237113e-11 1.60773268e-01 1.78153754e-01] [ 1.16242158e-11 -1.60773268e-01 -1.78153754e-01] [-3.93365210e-11 -5.28085738e-01 -1.07281485e-01] [ 3.81099969e-11 5.28085738e-01 1.07281485e-01] [-1.11888524e-11 1.60773268e-01 1.78153754e-01] [ 1.91902224e-11 -1.60773268e-01 -1.78153754e-01] [ 3.29602339e-11 -5.28085738e-01 -1.07281485e-01] [-5.67597965e-12 3.82835649e-01 1.43999461e-01] [-9.53836142e-12 -3.82835649e-01 -1.43999461e-01] [ 8.13645841e-12 3.82835649e-01 1.43999461e-01] [ 1.37482456e-11 -3.82835649e-01 -1.43999461e-01] [-5.45065382e-12 -3.62718198e-01 7.54698815e-02] [-1.26192893e-11 3.62718198e-01 -7.54698815e-02] [ 5.13831669e-12 -3.62718198e-01 7.54698814e-02] [ 7.65145190e-12 3.62718198e-01 -7.54698815e-02]] Final stress: [-9.08866752e-03 -6.65423076e-04 -2.60526782e-03 4.80327182e-02 -1.16357712e-13 -1.90598921e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.20012311e-12 -2.07841848e-01 8.46893818e-02] [-9.46372147e-12 -5.16441780e-02 1.01636302e-01] [-2.74748654e-11 5.16441780e-02 -1.01636302e-01] [ 1.96427770e-12 2.07841848e-01 -8.46893818e-02] [-1.96223170e-12 -2.07841849e-01 8.46893818e-02] [ 2.88059381e-11 -5.16441780e-02 1.01636302e-01] [ 9.66716247e-12 5.16441780e-02 -1.01636302e-01] [-6.62411532e-13 2.07841848e-01 -8.46893818e-02] [-2.31725028e-11 -3.29283324e-03 -3.89590902e-02] [-9.11629279e-13 3.29283326e-03 3.89590902e-02] [-8.01942627e-12 -3.29283325e-03 -3.89590902e-02] [-1.48871800e-13 3.29283330e-03 3.89590902e-02] [ 6.89508737e-12 -2.00034227e-01 -3.27518754e-02] [ 1.53422866e-12 2.00034227e-01 3.27518754e-02] [ 1.93844080e-11 -2.00034227e-01 -3.27518754e-02] [ 1.35685202e-12 2.00034227e-01 3.27518754e-02]] Final stress: [-8.72455778e-04 1.85808977e-03 -8.46766115e-05 -1.94880752e-02 7.91328865e-14 1.27603474e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.32186817e-12 5.16458466e-02 1.01669075e-01] [-1.58537159e-11 2.07855961e-01 8.47222465e-02] [-2.95922743e-11 -2.07855961e-01 -8.47222465e-02] [ 4.53971843e-12 -5.16458466e-02 -1.01669075e-01] [-4.37867949e-12 5.16458466e-02 1.01669075e-01] [ 3.10872478e-11 2.07855961e-01 8.47222465e-02] [ 1.57455637e-11 -2.07855961e-01 -8.47222465e-02] [-1.18775996e-12 -5.16458466e-02 -1.01669075e-01] [-2.94780775e-11 -3.27064494e-03 3.89626837e-02] [ 1.73308676e-12 3.27064488e-03 -3.89626837e-02] [-3.17387598e-12 -3.27064491e-03 3.89626837e-02] [-3.13756616e-12 3.27064492e-03 -3.89626837e-02] [ 2.38332487e-12 -2.00068257e-01 3.27530163e-02] [ 3.87653478e-12 2.00068257e-01 -3.27530163e-02] [ 2.54098250e-11 -2.00068257e-01 3.27530163e-02] [-1.28571657e-12 2.00068257e-01 -3.27530163e-02]] Final stress: [-8.72512400e-04 1.85835862e-03 -8.48698105e-05 1.94890945e-02 5.55744704e-14 1.36428138e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.74564399e-12 -2.97591293e-02 -5.42087423e-02] [-2.75317226e-12 -6.37132375e-02 -6.13585194e-02] [-3.27174344e-12 6.37132375e-02 6.13585194e-02] [-2.37120913e-12 2.97591293e-02 5.42087423e-02] [ 2.98791135e-12 -2.97591293e-02 -5.42087423e-02] [ 2.76642815e-12 -6.37132375e-02 -6.13585194e-02] [ 3.34782983e-12 6.37132375e-02 6.13585194e-02] [ 3.50279506e-12 2.97591293e-02 5.42087423e-02] [ 4.88855267e-13 2.70461762e-02 -2.34886733e-02] [-1.53258482e-12 -2.70461763e-02 2.34886733e-02] [ 1.05398329e-12 2.70461762e-02 -2.34886733e-02] [ 1.38143793e-12 -2.70461762e-02 2.34886733e-02] [-1.22549540e-12 -4.10991312e-02 -3.17871551e-03] [-1.02258986e-12 4.10991313e-02 3.17871551e-03] [-5.54956078e-13 -4.10991312e-02 -3.17871551e-03] [ 9.40977385e-13 4.10991313e-02 3.17871551e-03]] Final stress: [-2.11237705e-03 3.19429758e-04 1.12427538e-03 -5.40252667e-03 -4.22809762e-15 -7.93168874e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.86659302e-13 6.37132375e-02 -6.13585194e-02] [-2.75123392e-12 2.97591293e-02 -5.42087423e-02] [-3.67115203e-12 -2.97591293e-02 5.42087423e-02] [-7.23403108e-13 -6.37132375e-02 6.13585194e-02] [ 9.38659415e-13 6.37132375e-02 -6.13585194e-02] [ 3.63583816e-12 2.97591293e-02 -5.42087423e-02] [ 2.95736103e-12 -2.97591293e-02 5.42087423e-02] [ 5.60737004e-13 -6.37132375e-02 6.13585194e-02] [ 8.05934529e-13 2.70461762e-02 2.34886733e-02] [-1.63256561e-12 -2.70461762e-02 -2.34886733e-02] [ 3.73684699e-13 2.70461762e-02 2.34886733e-02] [ 6.66376242e-13 -2.70461762e-02 -2.34886733e-02] [-3.24851691e-13 -4.10991312e-02 3.17871552e-03] [-6.36038504e-13 4.10991313e-02 -3.17871552e-03] [-8.73063530e-13 -4.10991312e-02 3.17871552e-03] [ 1.26421050e-12 4.10991312e-02 -3.17871552e-03]] Final stress: [-2.11237705e-03 3.19429758e-04 1.12427538e-03 5.40252667e-03 4.74532685e-15 -7.63229310e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.38946578e-13 -4.83322425e-02 9.88409160e-03] [-3.88631098e-12 -2.24753710e-02 1.43922369e-02] [-3.40762488e-12 2.24753710e-02 -1.43922369e-02] [-9.40306860e-13 4.83322425e-02 -9.88409161e-03] [ 1.03568282e-12 -4.83322425e-02 9.88409161e-03] [ 3.25007642e-12 -2.24753710e-02 1.43922369e-02] [ 3.91067311e-12 2.24753710e-02 -1.43922369e-02] [ 5.48585699e-13 4.83322425e-02 -9.88409160e-03] [-1.52443336e-12 9.87050587e-03 -9.13391878e-03] [-3.12600727e-12 -9.87050587e-03 9.13391878e-03] [ 1.00370038e-12 9.87050587e-03 -9.13391879e-03] [ 1.87527424e-12 -9.87050586e-03 9.13391878e-03] [-6.53436506e-13 -4.69710966e-02 -9.22580927e-03] [-1.60231038e-12 4.69710966e-02 9.22580927e-03] [ 1.41720968e-12 -4.69710966e-02 -9.22580927e-03] [ 2.73546116e-12 4.69710966e-02 9.22580927e-03]] Final stress: [-4.16393447e-04 4.82832267e-04 7.52085255e-05 -5.26730618e-03 -7.78715385e-16 -1.65856657e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.19194950e-13 2.24754161e-02 1.43918614e-02] [-5.13012007e-12 4.83322318e-02 9.88372435e-03] [-2.89006037e-12 -4.83322318e-02 -9.88372436e-03] [-2.51697968e-13 -2.24754161e-02 -1.43918614e-02] [ 3.07924151e-13 2.24754161e-02 1.43918614e-02] [ 2.88280294e-12 4.83322318e-02 9.88372436e-03] [ 5.07891277e-12 -4.83322318e-02 -9.88372435e-03] [ 9.53132104e-13 -2.24754161e-02 -1.43918614e-02] [-1.99917665e-12 9.87065742e-03 9.13393134e-03] [-1.94222763e-12 -9.87065742e-03 -9.13393134e-03] [ 1.53094150e-12 9.87065742e-03 9.13393134e-03] [ 1.12993772e-12 -9.87065743e-03 -9.13393134e-03] [-1.15865997e-12 -4.69712279e-02 9.22580733e-03] [-9.92068542e-13 4.69712279e-02 -9.22580733e-03] [ 1.78656857e-12 -4.69712279e-02 9.22580733e-03] [ 1.60848827e-12 4.69712279e-02 -9.22580733e-03]] Final stress: [-4.16403014e-04 4.82836085e-04 7.52165981e-05 5.26730768e-03 -1.28354012e-14 -7.49000101e-16] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.86486488e-10 -2.21488648e+00 2.81697451e+00] [-1.55195877e-09 -2.16582412e+00 2.52059909e+00] [-3.15994401e-09 2.16582429e+00 -2.52059893e+00] [-6.08629989e-10 2.21488667e+00 -2.81697436e+00] [ 4.91600122e-10 -2.21488616e+00 2.81697515e+00] [ 3.27761856e-09 -2.16582369e+00 2.52059984e+00] [ 1.78111770e-09 2.16582385e+00 -2.52059966e+00] [ 5.33234486e-10 2.21488630e+00 -2.81697506e+00] [-2.53708663e-09 3.40240340e+00 -1.26544308e+00] [-1.31559784e-09 -3.40240368e+00 1.26544288e+00] [ 1.28098083e-09 3.40240414e+00 -1.26544227e+00] [ 2.31990410e-09 -3.40240437e+00 1.26544209e+00] [-7.23399325e-10 -4.40000054e+00 -8.11758828e-02] [-1.52423291e-09 4.40000045e+00 8.11757809e-02] [ 1.23361370e-09 -4.40000077e+00 -8.11760730e-02] [ 8.89279612e-10 4.40000070e+00 8.11759905e-02]] Final stress: [ 2.27519831e-01 4.51532164e-02 -1.14927447e-01 -5.48747829e-01 6.50870625e-13 2.63045064e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 4.74629576e-11 2.16582397e+00 2.52059947e+00] [ 3.58511274e-10 2.21488640e+00 2.81697492e+00] [ 8.63075893e-11 -2.21488623e+00 -2.81697500e+00] [ 4.87189818e-09 -2.16582378e+00 -2.52059969e+00] [-4.94409329e-09 2.16582422e+00 2.52059910e+00] [-2.15553930e-10 2.21488662e+00 2.81697450e+00] [-1.83380851e-10 -2.21488638e+00 -2.81697471e+00] [ 6.40334440e-10 -2.16582399e+00 -2.52059928e+00] [ 3.76057896e-11 3.40240395e+00 1.26544246e+00] [ 3.88240893e-09 -3.40240423e+00 -1.26544227e+00] [-4.17597135e-09 3.40240353e+00 1.26544292e+00] [-7.00471437e-10 -3.40240389e+00 -1.26544266e+00] [ 1.98210379e-09 -4.40000072e+00 8.11760320e-02] [ 7.87254301e-10 4.40000065e+00 -8.11759427e-02] [-2.91984646e-10 -4.40000062e+00 8.11759524e-02] [-2.18242772e-09 4.40000050e+00 -8.11758123e-02]] Final stress: [ 2.27519831e-01 4.51532162e-02 -1.14927448e-01 5.48747828e-01 1.78057795e-12 7.62261551e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 7.54731463e-02 -1.79295179e-01 4.13712718e-02] [ 7.59681968e-02 -1.79910926e-01 4.17872706e-02] [-7.59681969e-02 1.79910926e-01 -4.17872706e-02] [-7.54731463e-02 1.79295179e-01 -4.13712718e-02] [ 7.54731463e-02 -1.79295179e-01 4.13712718e-02] [ 7.59681969e-02 -1.79910926e-01 4.17872706e-02] [-7.59681968e-02 1.79910926e-01 -4.17872706e-02] [-7.54731463e-02 1.79295179e-01 -4.13712718e-02] [-7.21181455e-04 1.73998454e-01 -6.36892928e-02] [ 7.21181398e-04 -1.73998454e-01 6.36892928e-02] [-7.21181422e-04 1.73998454e-01 -6.36892928e-02] [ 7.21181447e-04 -1.73998454e-01 6.36892929e-02] [ 2.16082920e-04 -2.97930924e-01 -3.98447118e-02] [-2.16082944e-04 2.97930924e-01 3.98447118e-02] [ 2.16082950e-04 -2.97930924e-01 -3.98447118e-02] [-2.16082901e-04 2.97930924e-01 3.98447118e-02]] Final stress: [-5.67428502e-03 2.35951873e-03 1.26676130e-03 -2.58054961e-02 1.35532477e-03 6.93056102e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-7.54735431e-02 -1.79295180e-01 4.13715208e-02] [-7.59685965e-02 -1.79910876e-01 4.17875333e-02] [ 7.59685965e-02 1.79910876e-01 -4.17875333e-02] [ 7.54735431e-02 1.79295180e-01 -4.13715208e-02] [-7.54735431e-02 -1.79295180e-01 4.13715207e-02] [-7.59685965e-02 -1.79910876e-01 4.17875333e-02] [ 7.59685965e-02 1.79910876e-01 -4.17875333e-02] [ 7.54735431e-02 1.79295180e-01 -4.13715208e-02] [ 7.21185403e-04 1.73998294e-01 -6.36892754e-02] [-7.21185408e-04 -1.73998294e-01 6.36892755e-02] [ 7.21185441e-04 1.73998294e-01 -6.36892754e-02] [-7.21185425e-04 -1.73998294e-01 6.36892755e-02] [-2.16084086e-04 -2.97930783e-01 -3.98447139e-02] [ 2.16084072e-04 2.97930783e-01 3.98447139e-02] [-2.16084053e-04 -2.97930783e-01 -3.98447139e-02] [ 2.16084056e-04 2.97930783e-01 3.98447139e-02]] Final stress: [-5.67427721e-03 2.35951556e-03 1.26675515e-03 -2.58054939e-02 -1.35533186e-03 -6.93058769e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 7.59636911e-02 1.79905846e-01 4.17708848e-02] [ 7.54686898e-02 1.79289114e-01 4.13538618e-02] [-7.54686898e-02 -1.79289114e-01 -4.13538618e-02] [-7.59636911e-02 -1.79905846e-01 -4.17708848e-02] [ 7.59636911e-02 1.79905846e-01 4.17708849e-02] [ 7.54686898e-02 1.79289114e-01 4.13538618e-02] [-7.54686898e-02 -1.79289114e-01 -4.13538618e-02] [-7.59636911e-02 -1.79905846e-01 -4.17708848e-02] [ 7.21117257e-04 1.73979391e-01 6.36865731e-02] [-7.21117259e-04 -1.73979391e-01 -6.36865731e-02] [ 7.21117243e-04 1.73979391e-01 6.36865731e-02] [-7.21117231e-04 -1.73979391e-01 -6.36865731e-02] [-2.16064807e-04 -2.97909223e-01 3.98439299e-02] [ 2.16064798e-04 2.97909223e-01 -3.98439300e-02] [-2.16064819e-04 -2.97909223e-01 3.98439299e-02] [ 2.16064822e-04 2.97909223e-01 -3.98439299e-02]] Final stress: [-5.67410293e-03 2.35935971e-03 1.26682755e-03 2.58047978e-02 1.35524456e-03 -6.93013581e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-7.59662786e-02 1.79911164e-01 4.17860098e-02] [-7.54712416e-02 1.79295174e-01 4.13700769e-02] [ 7.54712417e-02 -1.79295174e-01 -4.13700769e-02] [ 7.59662786e-02 -1.79911164e-01 -4.17860098e-02] [-7.59662786e-02 1.79911164e-01 4.17860098e-02] [-7.54712417e-02 1.79295174e-01 4.13700769e-02] [ 7.54712416e-02 -1.79295174e-01 -4.13700769e-02] [ 7.59662786e-02 -1.79911164e-01 -4.17860098e-02] [-7.21162162e-04 1.73999219e-01 6.36893763e-02] [ 7.21162169e-04 -1.73999219e-01 -6.36893763e-02] [-7.21162176e-04 1.73999219e-01 6.36893763e-02] [ 7.21162164e-04 -1.73999219e-01 -6.36893764e-02] [ 2.16077382e-04 -2.97931603e-01 3.98447016e-02] [-2.16077371e-04 2.97931603e-01 -3.98447016e-02] [ 2.16077369e-04 -2.97931603e-01 3.98447016e-02] [-2.16077377e-04 2.97931603e-01 -3.98447016e-02]] Final stress: [-5.67432252e-03 2.35953395e-03 1.26679081e-03 2.58055066e-02 -1.35529070e-03 6.93043102e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.09119288 -0.12955442 0.06387014] [ 0.09370311 -0.11674431 0.07186986] [-0.09370311 0.11674431 -0.07186986] [ 0.09119288 0.12955442 -0.06387014] [-0.09119288 -0.12955442 0.06387014] [ 0.09370311 -0.11674431 0.07186986] [-0.09370311 0.11674431 -0.07186986] [ 0.09119288 0.12955442 -0.06387014] [ 0.001711 0.04526569 -0.03842858] [-0.001711 -0.04526569 0.03842858] [ 0.001711 0.04526569 -0.03842858] [-0.001711 -0.04526569 0.03842858] [-0.05667005 -0.14261504 -0.03035159] [ 0.05667005 0.14261504 0.03035159] [-0.05667005 -0.14261504 -0.03035159] [ 0.05667005 0.14261504 0.03035159]] Final stress: [-1.72169859e-03 5.43790804e-04 -6.12112266e-04 -1.83098731e-02 -6.94267291e-05 -1.92441434e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.09119266 -0.12955441 0.0638695 ] [-0.09370287 -0.11674443 0.07186918] [ 0.09370287 0.11674443 -0.07186918] [-0.09119266 0.12955441 -0.0638695 ] [ 0.09119266 -0.12955441 0.0638695 ] [-0.09370287 -0.11674443 0.07186918] [ 0.09370287 0.11674443 -0.07186918] [-0.09119266 0.12955441 -0.0638695 ] [-0.00171186 0.04526611 -0.03842862] [ 0.00171186 -0.04526611 0.03842862] [-0.00171186 0.04526611 -0.03842862] [ 0.00171186 -0.04526611 0.03842862] [ 0.0566708 -0.14261541 -0.03035158] [-0.0566708 0.14261541 0.03035158] [ 0.0566708 -0.14261541 -0.03035158] [-0.0566708 0.14261541 0.03035158]] Final stress: [-1.72171871e-03 5.43799017e-04 -6.12096478e-04 -1.83098785e-02 6.94268298e-05 1.92443019e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.09370306 0.11674433 0.07186972] [ 0.09119284 0.12955442 0.06387001] [-0.09119284 -0.12955442 -0.06387001] [ 0.09370306 -0.11674433 -0.07186972] [-0.09370306 0.11674433 0.07186972] [ 0.09119284 0.12955442 0.06387001] [-0.09119284 -0.12955442 -0.06387001] [ 0.09370306 -0.11674433 -0.07186972] [ 0.00171117 0.04526578 0.03842859] [-0.00171117 -0.04526578 -0.03842859] [ 0.00171117 0.04526578 0.03842859] [-0.00171117 -0.04526578 -0.03842859] [-0.0566702 -0.14261511 0.03035159] [ 0.0566702 0.14261511 -0.03035159] [-0.0566702 -0.14261511 0.03035159] [ 0.0566702 0.14261511 -0.03035159]] Final stress: [-1.72170262e-03 5.43792447e-04 -6.12109108e-04 1.83098742e-02 6.94267493e-05 -1.92441751e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.09370308 0.11674432 0.07186977] [-0.09119285 0.12955442 0.06387005] [ 0.09119285 -0.12955442 -0.06387005] [-0.09370308 -0.11674432 -0.07186977] [ 0.09370308 0.11674432 0.07186977] [-0.09119285 0.12955442 0.06387005] [ 0.09119285 -0.12955442 -0.06387005] [-0.09370308 -0.11674432 -0.07186977] [-0.00171111 0.04526575 0.03842858] [ 0.00171111 -0.04526575 -0.03842858] [-0.00171111 0.04526575 0.03842858] [ 0.00171111 -0.04526575 -0.03842858] [ 0.05667015 -0.14261509 0.03035159] [-0.05667015 0.14261509 -0.03035159] [ 0.05667015 -0.14261509 0.03035159] [-0.05667015 0.14261509 -0.03035159]] Final stress: [-1.72170128e-03 5.43791899e-04 -6.12110161e-04 1.83098739e-02 -6.94267425e-05 1.92441645e-03] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.35396468e-12 -1.82134622e-02 8.04288734e-04] [-3.00264154e-12 -1.40067232e-02 3.09764705e-03] [-5.43448142e-12 1.40067232e-02 -3.09764704e-03] [ 3.07311121e-12 1.82134622e-02 -8.04288738e-04] [-2.72815906e-12 -1.82134622e-02 8.04288735e-04] [ 5.65888699e-12 -1.40067232e-02 3.09764705e-03] [ 3.34389797e-12 1.40067232e-02 -3.09764704e-03] [-1.09841173e-12 1.82134622e-02 -8.04288738e-04] [-7.59287815e-13 -1.27452167e-02 -3.69754830e-03] [-5.03064604e-13 1.27452167e-02 3.69754830e-03] [ 2.13793393e-13 -1.27452166e-02 -3.69754830e-03] [ 6.26685769e-13 1.27452166e-02 3.69754830e-03] [-5.76257358e-13 -2.00726665e-02 -4.61306697e-03] [-6.48098491e-13 2.00726665e-02 4.61306697e-03] [ 2.61350390e-13 -2.00726665e-02 -4.61306697e-03] [ 2.20448632e-13 2.00726665e-02 4.61306697e-03]] Final stress: [-1.68399005e-04 -5.67386666e-05 -1.31522411e-04 -2.42527120e-03 3.01769310e-15 4.92260879e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.60714020e-12 1.40067283e-02 3.09676122e-03] [-4.31618673e-12 1.82133562e-02 8.03402572e-04] [-1.99984332e-12 -1.82133562e-02 -8.03402561e-04] [ 1.50189410e-12 -1.40067283e-02 -3.09676122e-03] [-1.21602565e-12 1.40067283e-02 3.09676122e-03] [ 1.89992943e-12 1.82133562e-02 8.03402573e-04] [ 4.59190390e-12 -1.82133562e-02 -8.03402568e-04] [-1.56747445e-12 -1.40067283e-02 -3.09676122e-03] [-4.35141289e-13 -1.27455226e-02 3.69752705e-03] [ 5.91393254e-14 1.27455226e-02 -3.69752705e-03] [ 6.50348699e-13 -1.27455226e-02 3.69752705e-03] [ 3.66155457e-13 1.27455226e-02 -3.69752705e-03] [-5.98186431e-13 -2.00722684e-02 4.61305996e-03] [-5.79001257e-13 2.00722684e-02 -4.61305996e-03] [ 5.40077423e-13 -2.00722684e-02 4.61305996e-03] [-5.11703229e-13 2.00722684e-02 -4.61305996e-03]] Final stress: [-1.68405898e-04 -5.67382135e-05 -1.31511177e-04 2.42526448e-03 -1.01106728e-14 5.85677341e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.98098026e-11 -3.92608217e-01 4.19347080e-01] [-4.01099514e-11 -3.67961700e-01 3.96515018e-01] [ 1.35216701e-11 3.67961700e-01 -3.96515018e-01] [ 1.08456377e-10 3.92608217e-01 -4.19347080e-01] [-1.08650815e-10 -3.92608217e-01 4.19347080e-01] [-1.74156202e-11 -3.67961700e-01 3.96515018e-01] [ 3.81317774e-11 3.67961700e-01 -3.96515018e-01] [ 9.53857206e-11 3.92608217e-01 -4.19347080e-01] [ 6.95891552e-11 4.54466210e-01 -1.50247835e-01] [ 6.02432548e-11 -4.54466210e-01 1.50247835e-01] [-2.13258993e-11 4.54466210e-01 -1.50247835e-01] [ 7.29788192e-13 -4.54466210e-01 1.50247835e-01] [ 1.34301784e-11 -6.65323016e-01 -7.99007728e-02] [ 5.59785779e-12 6.65323016e-01 7.99007728e-02] [-6.75664313e-11 -6.65323016e-01 -7.99007727e-02] [-5.01996225e-11 6.65323016e-01 7.99007727e-02]] Final stress: [-6.72228231e-03 4.67282060e-03 -1.86922283e-03 -5.30455809e-02 -1.19479609e-12 7.46533391e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.68186244e-10 3.67960708e-01 3.96519534e-01] [ 5.91986518e-11 3.92608113e-01 4.19351261e-01] [-1.85312985e-10 -3.92608113e-01 -4.19351261e-01] [-1.53002654e-10 -3.67960708e-01 -3.96519534e-01] [ 1.47433844e-10 3.67960708e-01 3.96519535e-01] [ 1.82979309e-10 3.92608113e-01 4.19351262e-01] [-6.25272937e-11 -3.92608113e-01 -4.19351262e-01] [ 1.64307515e-10 -3.67960708e-01 -3.96519535e-01] [-4.95909325e-12 4.54463587e-01 1.50247451e-01] [ 6.71620025e-11 -4.54463587e-01 -1.50247451e-01] [-6.32419030e-12 4.54463588e-01 1.50247451e-01] [-1.79072252e-12 -4.54463587e-01 -1.50247451e-01] [ 3.31551800e-12 -6.65320645e-01 7.99008118e-02] [ 2.14724813e-11 6.65320646e-01 -7.99008118e-02] [-9.40899583e-12 -6.65320645e-01 7.99008118e-02] [-5.43545570e-11 6.65320645e-01 -7.99008118e-02]] Final stress: [-6.72215093e-03 4.67276844e-03 -1.86932708e-03 5.30455302e-02 1.07492073e-12 3.15401961e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-7.64889237e-13 -2.51080987e-02 2.91314612e-02] [-6.82236169e-12 -6.56939422e-02 3.15790582e-02] [-8.58153772e-12 6.56939422e-02 -3.15790582e-02] [ 2.26425996e-12 2.51080987e-02 -2.91314612e-02] [-1.88414377e-12 -2.51080987e-02 2.91314612e-02] [ 9.04472807e-12 -6.56939422e-02 3.15790582e-02] [ 7.22142723e-12 6.56939422e-02 -3.15790582e-02] [ 1.49435347e-12 2.51080987e-02 -2.91314612e-02] [-5.51244315e-12 3.82082372e-02 -1.39415068e-02] [-2.92563890e-12 -3.82082372e-02 1.39415068e-02] [-4.75518984e-12 3.82082373e-02 -1.39415068e-02] [-4.16673944e-12 -3.82082372e-02 1.39415068e-02] [ 4.15895530e-12 -6.00865998e-02 -1.08156288e-02] [ 4.15724922e-12 6.00865998e-02 1.08156288e-02] [ 4.18934385e-12 -6.00865998e-02 -1.08156288e-02] [ 2.87622619e-12 6.00865998e-02 1.08156288e-02]] Final stress: [-1.22772725e-03 -2.20040460e-04 -5.77865131e-04 -6.66710073e-03 -6.52662207e-15 5.60451521e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.50214583e-13 6.56937539e-02 3.15800028e-02] [ 2.19904065e-12 2.51081486e-02 2.91323718e-02] [ 1.65956040e-12 -2.51081486e-02 -2.91323718e-02] [ 2.75677137e-12 -6.56937540e-02 -3.15800028e-02] [-2.59655416e-12 6.56937540e-02 3.15800028e-02] [-1.81029540e-12 2.51081486e-02 2.91323718e-02] [-2.20347200e-12 -2.51081486e-02 -2.91323718e-02] [-6.76571429e-13 -6.56937540e-02 -3.15800029e-02] [-5.21041240e-12 3.82077830e-02 1.39414574e-02] [-1.00212200e-12 -3.82077830e-02 -1.39414574e-02] [ 2.93677918e-12 3.82077831e-02 1.39414574e-02] [-1.24395936e-12 -3.82077831e-02 -1.39414574e-02] [-2.98129967e-12 -6.00862396e-02 1.08156342e-02] [ 1.60590226e-12 6.00862396e-02 -1.08156342e-02] [ 4.76135766e-12 -6.00862396e-02 1.08156342e-02] [ 1.14867621e-12 6.00862396e-02 -1.08156342e-02]] Final stress: [-1.22770142e-03 -2.20049434e-04 -5.77885072e-04 6.66709441e-03 -6.85452465e-15 -6.70032704e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.32116419e-12 -4.48230516e-02 3.76005033e-03] [-1.12848129e-11 -1.09491171e-02 7.84894509e-03] [-9.31415145e-12 1.09491171e-02 -7.84894509e-03] [-9.00537457e-12 4.48230516e-02 -3.76005034e-03] [ 7.96878373e-12 -4.48230516e-02 3.76005032e-03] [ 8.81850365e-12 -1.09491171e-02 7.84894507e-03] [ 1.00997210e-11 1.09491171e-02 -7.84894508e-03] [ 3.99362553e-12 4.48230516e-02 -3.76005033e-03] [-2.31283374e-12 -1.98721071e-02 -6.90317737e-03] [ 2.09762416e-12 1.98721071e-02 6.90317737e-03] [ 1.35539609e-11 -1.98721071e-02 -6.90317737e-03] [ 1.29721741e-11 1.98721071e-02 6.90317737e-03] [-1.14789228e-11 -3.76295120e-02 -7.67989463e-03] [-1.16409475e-11 3.76295120e-02 7.67989463e-03] [ 1.95619501e-12 -3.76295120e-02 -7.67989462e-03] [-2.11538567e-12 3.76295120e-02 7.67989463e-03]] Final stress: [-2.36786894e-04 2.15440857e-04 4.69312230e-06 -4.25211565e-03 1.23582978e-14 1.53163401e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.23852492e-11 1.09490941e-02 7.84910649e-03] [-2.22937164e-12 4.48230521e-02 3.76020718e-03] [ 8.60957789e-13 -4.48230521e-02 -3.76020717e-03] [-9.79824728e-12 -1.09490941e-02 -7.84910649e-03] [ 9.86637540e-12 1.09490941e-02 7.84910651e-03] [-1.86583821e-12 4.48230521e-02 3.76020719e-03] [ 2.40436067e-12 -4.48230521e-02 -3.76020717e-03] [ 1.14143367e-11 -1.09490941e-02 -7.84910650e-03] [ 1.15131450e-12 -1.98722594e-02 6.90316977e-03] [-2.42186479e-12 1.98722594e-02 -6.90316977e-03] [ 3.39991034e-12 -1.98722594e-02 6.90316976e-03] [ 9.94285166e-12 1.98722594e-02 -6.90316978e-03] [-2.76601441e-12 -3.76293668e-02 7.67989533e-03] [-8.61038207e-12 3.76293667e-02 -7.67989534e-03] [-9.67762532e-13 -3.76293668e-02 7.67989533e-03] [ 2.00257999e-12 3.76293667e-02 -7.67989534e-03]] Final stress: [-2.36780853e-04 2.15438040e-04 4.68856744e-06 4.25211458e-03 -2.56369871e-14 1.26674799e-14] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 29 steps. Minimization converged after 29 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.69284550e-13 -1.99161923e-02 1.52976248e-03] [-4.46045284e-12 -8.48290985e-03 3.60176967e-03] [-4.59607677e-12 8.48290985e-03 -3.60176967e-03] [-2.11844518e-12 1.99161923e-02 -1.52976247e-03] [ 1.69583531e-12 -1.99161923e-02 1.52976247e-03] [ 4.87286123e-12 -8.48290986e-03 3.60176967e-03] [ 4.06981512e-12 8.48290985e-03 -3.60176967e-03] [ 7.10483105e-13 1.99161923e-02 -1.52976247e-03] [-4.00092004e-12 -4.68643604e-03 -3.22487967e-03] [ 1.65733052e-12 4.68643605e-03 3.22487967e-03] [ 4.48898676e-12 -4.68643604e-03 -3.22487967e-03] [ 7.67102094e-13 4.68643606e-03 3.22487967e-03] [-3.99294356e-12 -1.78178312e-02 -3.99362222e-03] [-5.17913051e-13 1.78178311e-02 3.99362222e-03] [ 3.54340751e-12 -1.78178311e-02 -3.99362222e-03] [-1.66352105e-12 1.78178311e-02 3.99362222e-03]] Final stress: [-9.61237993e-05 1.23556536e-04 -4.02215647e-05 -2.11412879e-03 8.07041392e-15 7.10262757e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.24966443e-12 8.48291617e-03 3.60180757e-03] [ 1.56659299e-12 1.99162031e-02 1.52980166e-03] [-6.50412775e-13 -1.99162031e-02 -1.52980166e-03] [-3.64277879e-12 -8.48291617e-03 -3.60180758e-03] [ 3.62974342e-12 8.48291617e-03 3.60180759e-03] [ 5.12674105e-13 1.99162031e-02 1.52980167e-03] [-1.68152146e-12 -1.99162031e-02 -1.52980167e-03] [ 2.12651663e-12 -8.48291617e-03 -3.60180758e-03] [-1.01936298e-12 -4.68635447e-03 3.22488409e-03] [-6.72673722e-14 4.68635447e-03 -3.22488409e-03] [ 5.70458611e-13 -4.68635447e-03 3.22488409e-03] [ 2.36324849e-12 4.68635447e-03 -3.22488410e-03] [-5.05255560e-13 -1.78179155e-02 3.99362269e-03] [-1.98103534e-12 1.78179155e-02 -3.99362269e-03] [ 8.13504917e-13 -1.78179155e-02 3.99362269e-03] [ 2.14615516e-13 1.78179155e-02 -3.99362269e-03]] Final stress: [-9.61249649e-05 1.23557428e-04 -4.02211985e-05 2.11412980e-03 1.63952632e-14 9.18038387e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.41710923e-10 -5.39729096e-01 5.32432260e-01] [-7.73357977e-11 -5.21133501e-01 4.88470224e-01] [-7.87686095e-11 5.21133501e-01 -4.88470223e-01] [-1.24130352e-10 5.39729096e-01 -5.32432260e-01] [ 1.26339720e-10 -5.39729096e-01 5.32432260e-01] [ 8.10643618e-11 -5.21133501e-01 4.88470223e-01] [ 8.19818123e-11 5.21133501e-01 -4.88470224e-01] [ 1.41775969e-10 5.39729096e-01 -5.32432260e-01] [-6.44539782e-11 5.49101999e-01 -2.09847045e-01] [-4.29922721e-11 -5.49101999e-01 2.09847045e-01] [-4.46547582e-11 5.49101999e-01 -2.09847045e-01] [ 2.87021383e-11 -5.49101999e-01 2.09847045e-01] [ 4.50056147e-11 -8.81286198e-01 -1.28790291e-01] [-2.11866141e-11 8.81286199e-01 1.28790291e-01] [ 5.51145940e-11 -8.81286199e-01 -1.28790291e-01] [ 3.52589379e-11 8.81286199e-01 1.28790291e-01]] Final stress: [-8.72461002e-03 6.26217647e-03 -2.74222700e-03 -7.55164592e-02 -6.67431237e-14 4.50693057e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.95730597e-11 5.21138402e-01 4.88480626e-01] [-1.17372451e-10 5.39734084e-01 5.32444166e-01] [-6.76141591e-11 -5.39734084e-01 -5.32444166e-01] [-1.30726180e-10 -5.21138402e-01 -4.88480625e-01] [ 1.33443670e-10 5.21138402e-01 4.88480625e-01] [ 7.06369451e-11 5.39734084e-01 5.32444166e-01] [ 1.19177626e-10 -5.39734084e-01 -5.32444166e-01] [-6.38945186e-11 -5.21138402e-01 -4.88480626e-01] [-7.96086409e-11 5.49114849e-01 2.09849456e-01] [-5.17929519e-11 -5.49114849e-01 -2.09849456e-01] [ 1.32037999e-11 5.49114849e-01 2.09849456e-01] [ 5.16437166e-11 -5.49114849e-01 -2.09849456e-01] [-2.88924744e-12 -8.81301811e-01 1.28791471e-01] [-5.68755294e-11 8.81301811e-01 -1.28791471e-01] [ 7.60444590e-11 -8.81301811e-01 1.28791471e-01] [ 3.70432590e-11 8.81301811e-01 -1.28791471e-01]] Final stress: [-8.72473934e-03 6.26229563e-03 -2.74228307e-03 7.55171046e-02 6.13292307e-13 2.01858164e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.90961559e-02 -3.53589352e-02 -4.80306582e-03] [ 2.91284773e-02 -3.33605153e-02 -1.73178371e-03] [-2.91284773e-02 3.33605153e-02 1.73178372e-03] [-2.90961559e-02 3.53589352e-02 4.80306581e-03] [ 2.90961559e-02 -3.53589352e-02 -4.80306582e-03] [ 2.91284773e-02 -3.33605153e-02 -1.73178371e-03] [-2.91284773e-02 3.33605153e-02 1.73178371e-03] [-2.90961559e-02 3.53589352e-02 4.80306581e-03] [-5.40283474e-05 1.54799438e-02 -9.87649186e-03] [ 5.40283372e-05 -1.54799438e-02 9.87649186e-03] [-5.40283442e-05 1.54799438e-02 -9.87649186e-03] [ 5.40283497e-05 -1.54799438e-02 9.87649186e-03] [ 1.72704851e-05 -5.68073140e-02 -8.49113406e-03] [-1.72704896e-05 5.68073140e-02 8.49113406e-03] [ 1.72704882e-05 -5.68073140e-02 -8.49113406e-03] [-1.72704779e-05 5.68073140e-02 8.49113406e-03]] Final stress: [-1.18488604e-03 3.19367289e-04 2.53707845e-04 -5.08539815e-03 5.22030132e-04 6.65007702e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.90962559e-02 -3.53589380e-02 -4.80296933e-03] [-2.91285774e-02 -3.33604982e-02 -1.73168405e-03] [ 2.91285774e-02 3.33604982e-02 1.73168406e-03] [ 2.90962559e-02 3.53589380e-02 4.80296931e-03] [-2.90962559e-02 -3.53589380e-02 -4.80296933e-03] [-2.91285774e-02 -3.33604982e-02 -1.73168406e-03] [ 2.91285774e-02 3.33604982e-02 1.73168406e-03] [ 2.90962559e-02 3.53589380e-02 4.80296932e-03] [ 5.40285359e-05 1.54798709e-02 -9.87648691e-03] [-5.40285422e-05 -1.54798708e-02 9.87648691e-03] [ 5.40285494e-05 1.54798708e-02 -9.87648691e-03] [-5.40285494e-05 -1.54798708e-02 9.87648690e-03] [-1.72705501e-05 -5.68072483e-02 -8.49113457e-03] [ 1.72705501e-05 5.68072483e-02 8.49113457e-03] [-1.72705377e-05 -5.68072483e-02 -8.49113457e-03] [ 1.72705436e-05 5.68072483e-02 8.49113457e-03]] Final stress: [-1.18488277e-03 3.19365921e-04 2.53705361e-04 -5.08539748e-03 -5.22031912e-04 -6.65009186e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.91284273e-02 3.33605238e-02 -1.73183356e-03] [ 2.90961059e-02 3.53589338e-02 -4.80311406e-03] [-2.90961059e-02 -3.53589338e-02 4.80311407e-03] [-2.91284273e-02 -3.33605239e-02 1.73183356e-03] [ 2.91284273e-02 3.33605238e-02 -1.73183355e-03] [ 2.90961059e-02 3.53589338e-02 -4.80311406e-03] [-2.90961059e-02 -3.53589338e-02 4.80311407e-03] [-2.91284273e-02 -3.33605239e-02 1.73183356e-03] [ 5.40282476e-05 1.54799802e-02 9.87649433e-03] [-5.40282554e-05 -1.54799802e-02 -9.87649434e-03] [ 5.40282496e-05 1.54799802e-02 9.87649434e-03] [-5.40282454e-05 -1.54799802e-02 -9.87649435e-03] [-1.72704590e-05 -5.68073468e-02 8.49113382e-03] [ 1.72704563e-05 5.68073468e-02 -8.49113382e-03] [-1.72704576e-05 -5.68073468e-02 8.49113381e-03] [ 1.72704652e-05 5.68073468e-02 -8.49113382e-03]] Final stress: [-1.18488767e-03 3.19367973e-04 2.53709087e-04 5.08539848e-03 5.22029242e-04 -6.65007044e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.91285023e-02 3.33605110e-02 -1.73175882e-03] [-2.90961809e-02 3.53589359e-02 -4.80304170e-03] [ 2.90961809e-02 -3.53589359e-02 4.80304170e-03] [ 2.91285023e-02 -3.33605110e-02 1.73175881e-03] [-2.91285023e-02 3.33605110e-02 -1.73175881e-03] [-2.90961809e-02 3.53589359e-02 -4.80304169e-03] [ 2.90961809e-02 -3.53589359e-02 4.80304171e-03] [ 2.91285023e-02 -3.33605110e-02 1.73175882e-03] [-5.40284044e-05 1.54799255e-02 9.87649062e-03] [ 5.40283973e-05 -1.54799255e-02 -9.87649063e-03] [-5.40283844e-05 1.54799255e-02 9.87649062e-03] [ 5.40283967e-05 -1.54799255e-02 -9.87649063e-03] [ 1.72704906e-05 -5.68072975e-02 8.49113419e-03] [-1.72705018e-05 5.68072976e-02 -8.49113419e-03] [ 1.72705088e-05 -5.68072975e-02 8.49113418e-03] [-1.72705028e-05 5.68072976e-02 -8.49113420e-03]] Final stress: [-1.18488522e-03 3.19366947e-04 2.53707225e-04 5.08539798e-03 -5.22030577e-04 6.65008106e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.0209109 -0.03348996 0.00793599] [ 0.02108812 -0.02854648 0.01148287] [-0.02108812 0.02854648 -0.01148287] [ 0.0209109 0.03348996 -0.00793599] [-0.0209109 -0.03348996 0.00793599] [ 0.02108812 -0.02854648 0.01148287] [-0.02108812 0.02854648 -0.01148287] [ 0.0209109 0.03348996 -0.00793599] [-0.00634305 -0.00047012 -0.00828375] [ 0.00634305 0.00047012 0.00828375] [-0.00634305 -0.00047012 -0.00828375] [ 0.00634305 0.00047012 0.00828375] [-0.00803996 -0.03972609 -0.00813498] [ 0.00803996 0.03972609 0.00813498] [-0.00803996 -0.03972609 -0.00813498] [ 0.00803996 0.03972609 0.00813498]] Final stress: [-5.62941805e-04 5.68095337e-05 -1.45336727e-04 -4.66544396e-03 -4.06149028e-06 -3.80623036e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.02091082 -0.03348995 0.00793558] [-0.02108803 -0.02854656 0.01148245] [ 0.02108803 0.02854656 -0.01148245] [-0.02091082 0.03348995 -0.00793558] [ 0.02091082 -0.03348995 0.00793558] [-0.02108803 -0.02854656 0.01148245] [ 0.02108803 0.02854656 -0.01148245] [-0.02091082 0.03348995 -0.00793558] [ 0.00634269 -0.00046981 -0.00828377] [-0.00634269 0.00046981 0.00828377] [ 0.00634269 -0.00046981 -0.00828377] [-0.00634269 0.00046981 0.00828377] [ 0.00804028 -0.03972637 -0.00813497] [-0.00804028 0.03972637 0.00813497] [ 0.00804028 -0.03972637 -0.00813497] [-0.00804028 0.03972637 0.00813497]] Final stress: [-5.62955582e-04 5.68153139e-05 -1.45326286e-04 -4.66544682e-03 4.06150240e-06 3.80629903e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.02108803 0.02854656 0.01148245] [ 0.02091082 0.03348995 0.00793558] [-0.02091082 -0.03348995 -0.00793558] [ 0.02108803 -0.02854656 -0.01148245] [-0.02108803 0.02854656 0.01148245] [ 0.02091082 0.03348995 0.00793558] [-0.02091082 -0.03348995 -0.00793558] [ 0.02108803 -0.02854656 -0.01148245] [-0.00634269 -0.00046981 0.00828377] [ 0.00634269 0.00046981 -0.00828377] [-0.00634269 -0.00046981 0.00828377] [ 0.00634269 0.00046981 -0.00828377] [-0.00804028 -0.03972637 0.00813497] [ 0.00804028 0.03972637 -0.00813497] [-0.00804028 -0.03972637 0.00813497] [ 0.00804028 0.03972637 -0.00813497]] Final stress: [-5.62955582e-04 5.68153139e-05 -1.45326286e-04 4.66544682e-03 4.06150243e-06 -3.80629903e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.02108796 0.02854662 0.0114821 ] [-0.02091074 0.03348994 0.00793524] [ 0.02091074 -0.03348994 -0.00793524] [-0.02108796 -0.02854662 -0.0114821 ] [ 0.02108796 0.02854662 0.0114821 ] [-0.02091074 0.03348994 0.00793524] [ 0.02091074 -0.03348994 -0.00793524] [-0.02108796 -0.02854662 -0.0114821 ] [ 0.00634238 -0.00046955 0.00828379] [-0.00634238 0.00046955 -0.00828379] [ 0.00634238 -0.00046955 0.00828379] [-0.00634238 0.00046955 -0.00828379] [ 0.00804056 -0.0397266 0.00813497] [-0.00804056 0.0397266 -0.00813497] [ 0.00804056 -0.0397266 0.00813497] [-0.00804056 0.0397266 -0.00813497]] Final stress: [-5.62967240e-04 5.68202049e-05 -1.45317451e-04 4.66544923e-03 -4.06151267e-06 3.80635713e-04] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 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. Minimization converged after 28 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.46827645e-12 -1.96707818e-02 5.60276687e-03] [-2.36669733e-12 -1.61789435e-02 7.84559912e-03] [-1.47627098e-11 1.61789435e-02 -7.84559913e-03] [-6.30458099e-12 1.96707818e-02 -5.60276688e-03] [ 5.84491700e-12 -1.96707818e-02 5.60276689e-03] [ 1.50055589e-11 -1.61789435e-02 7.84559913e-03] [ 1.96739023e-12 1.61789435e-02 -7.84559913e-03] [ 3.74736765e-12 1.96707818e-02 -5.60276688e-03] [-7.10490542e-12 -2.22618656e-03 -4.63383143e-03] [ 4.09242952e-12 2.22618656e-03 4.63383144e-03] [ 7.44885783e-12 -2.22618656e-03 -4.63383144e-03] [ 8.95154220e-12 2.22618657e-03 4.63383144e-03] [-7.25146505e-12 -2.31947521e-02 -4.73073804e-03] [-7.62653647e-12 2.31947521e-02 4.73073804e-03] [ 5.57351227e-12 -2.31947522e-02 -4.73073804e-03] [-3.76027668e-12 2.31947521e-02 4.73073804e-03]] Final stress: [-2.93971706e-04 9.46807068e-06 -1.19861653e-04 -2.70253638e-03 6.76636782e-14 5.61947655e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.36272395e-12 1.61792571e-02 7.84477158e-03] [-1.07410086e-11 1.96708610e-02 5.60199048e-03] [-3.36497865e-12 -1.96708610e-02 -5.60199048e-03] [-2.03023449e-12 -1.61792571e-02 -7.84477158e-03] [ 1.04092678e-12 1.61792571e-02 7.84477158e-03] [ 3.88054649e-12 1.96708610e-02 5.60199049e-03] [ 9.83089543e-12 -1.96708610e-02 -5.60199048e-03] [ 3.05066692e-12 -1.61792571e-02 -7.84477158e-03] [-1.02372674e-11 -2.22454871e-03 4.63394640e-03] [ 1.55582058e-12 2.22454872e-03 -4.63394640e-03] [ 8.44549344e-12 -2.22454872e-03 4.63394640e-03] [ 7.46416731e-12 2.22454871e-03 -4.63394640e-03] [-7.33336048e-12 -2.31963622e-02 4.73073983e-03] [-6.79075757e-12 2.31963622e-02 -4.73073983e-03] [ 9.12280802e-12 -2.31963622e-02 4.73073983e-03] [-1.52831369e-12 2.31963622e-02 -4.73073983e-03]] Final stress: [-2.94022925e-04 9.49216145e-06 -1.19829264e-04 2.70255776e-03 -3.49155235e-14 4.23061045e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.80437858e-12 -6.75769503e-03 3.72125027e-04] [ 1.08960150e-13 -1.46441375e-02 1.89200868e-03] [-9.47887276e-13 1.46441375e-02 -1.89200867e-03] [ 3.66218861e-12 6.75769503e-03 -3.72125027e-04] [-3.60823958e-12 -6.75769503e-03 3.72125029e-04] [ 1.10850521e-12 -1.46441375e-02 1.89200867e-03] [-8.01156017e-14 1.46441375e-02 -1.89200867e-03] [-2.61797637e-12 6.75769502e-03 -3.72125024e-04] [-2.23890090e-12 -6.44496711e-03 -2.44860226e-03] [-2.60199848e-14 6.44496712e-03 2.44860226e-03] [-8.06451802e-13 -6.44496711e-03 -2.44860226e-03] [-1.69819280e-12 6.44496712e-03 2.44860226e-03] [ 6.00362642e-13 -9.20434763e-03 -3.04732345e-03] [ 1.51503007e-12 9.20434763e-03 3.04732345e-03] [ 2.05710381e-12 -9.20434763e-03 -3.04732345e-03] [ 1.65841136e-13 9.20434763e-03 3.04732345e-03]] Final stress: [-1.49342301e-04 -1.39583308e-04 -1.73828545e-04 -1.61616716e-03 8.16902754e-16 7.24008040e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.07845828e-12 1.46443129e-02 1.89268363e-03] [-1.50913852e-12 6.75776275e-03 3.72818413e-04] [-7.35408696e-13 -6.75776275e-03 -3.72818406e-04] [-6.42082134e-12 -1.46443129e-02 -1.89268364e-03] [ 6.38610660e-12 1.46443129e-02 1.89268363e-03] [ 1.32709338e-12 6.75776275e-03 3.72818407e-04] [ 1.43458921e-12 -6.75776275e-03 -3.72818411e-04] [ 2.68978394e-12 -1.46443129e-02 -1.89268364e-03] [-6.58424725e-12 -6.44386826e-03 2.44866466e-03] [-2.50905893e-12 6.44386826e-03 -2.44866467e-03] [ 1.08414623e-12 -6.44386826e-03 2.44866467e-03] [ 6.45700941e-13 6.44386827e-03 -2.44866466e-03] [-9.21019337e-13 -9.20544744e-03 3.04733125e-03] [-6.20923235e-13 9.20544744e-03 -3.04733125e-03] [ 5.69463893e-12 -9.20544744e-03 3.04733125e-03] [ 2.10668757e-12 9.20544744e-03 -3.04733124e-03]] Final stress: [-1.49356785e-04 -1.39575124e-04 -1.73828739e-04 1.61618170e-03 1.61655402e-14 8.02503130e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.11133789e-12 -1.44361800e-02 -1.32349491e-03] [-6.41321675e-12 -3.09295337e-03 8.31452246e-05] [-2.94353712e-12 3.09295337e-03 -8.31452230e-05] [-2.41778993e-12 1.44361800e-02 1.32349491e-03] [ 2.62982529e-12 -1.44361800e-02 -1.32349491e-03] [ 2.82588709e-12 -3.09295337e-03 8.31452172e-05] [ 6.58602122e-12 3.09295337e-03 -8.31452242e-05] [ 4.99206384e-12 1.44361800e-02 1.32349492e-03] [-2.64724679e-12 -1.25940238e-02 -1.87049492e-03] [-5.88285757e-12 1.25940238e-02 1.87049492e-03] [ 3.15367459e-12 -1.25940238e-02 -1.87049492e-03] [ 5.45019238e-12 1.25940238e-02 1.87049492e-03] [-2.75890465e-12 -1.25586576e-02 -2.57165870e-03] [-4.75661345e-12 1.25586576e-02 2.57165870e-03] [ 2.18380354e-12 -1.25586576e-02 -2.57165869e-03] [ 5.12171899e-12 1.25586576e-02 2.57165870e-03]] Final stress: [-2.91942111e-05 1.26236790e-05 -1.05590144e-05 -1.32219607e-03 -2.75037564e-14 -7.64538168e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.75271451e-12 3.09294465e-03 8.49881375e-05] [-2.57044494e-12 1.44365498e-02 -1.32163937e-03] [-8.61321756e-13 -1.44365498e-02 1.32163937e-03] [-2.00510008e-12 -3.09294465e-03 -8.49881374e-05] [ 1.89095137e-12 3.09294465e-03 8.49881489e-05] [ 7.90467518e-13 1.44365498e-02 -1.32163936e-03] [ 2.42758710e-12 -1.44365498e-02 1.32163936e-03] [ 1.69173009e-12 -3.09294465e-03 -8.49881480e-05] [-1.19770058e-12 -1.25925708e-02 1.87057973e-03] [ 1.06942406e-12 1.25925708e-02 -1.87057973e-03] [ 2.28735173e-12 -1.25925708e-02 1.87057973e-03] [ 6.11620997e-12 1.25925708e-02 -1.87057973e-03] [-2.07933670e-12 -1.25604906e-02 2.57167552e-03] [-5.56621204e-12 1.25604906e-02 -2.57167552e-03] [ 8.96867094e-13 -1.25604906e-02 2.57167551e-03] [-1.12971104e-12 1.25604906e-02 -2.57167552e-03]] Final stress: [-2.92001341e-05 1.26360502e-05 -1.05706855e-05 1.32221876e-03 -6.56196920e-15 2.38200853e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.56718085e-12 -1.96165494e-02 -2.08498927e-03] [-1.46598274e-11 -2.89953327e-02 1.06461660e-03] [-1.48820748e-11 2.89953327e-02 -1.06461658e-03] [-3.71072617e-12 1.96165494e-02 2.08498924e-03] [ 4.19364261e-12 -1.96165494e-02 -2.08498926e-03] [ 1.59791282e-11 -2.89953327e-02 1.06461660e-03] [ 1.50382920e-11 2.89953327e-02 -1.06461658e-03] [ 2.71179607e-12 1.96165494e-02 2.08498925e-03] [-1.55638800e-11 -2.40747140e-02 -6.06958037e-03] [-7.21387186e-12 2.40747140e-02 6.06958037e-03] [-4.85966671e-12 -2.40747140e-02 -6.06958037e-03] [-5.76967727e-12 2.40747140e-02 6.06958037e-03] [ 4.87094219e-12 -2.29421447e-02 -6.90579159e-03] [ 5.67823921e-12 2.29421448e-02 6.90579158e-03] [ 1.36414441e-11 -2.29421448e-02 -6.90579159e-03] [ 6.11045174e-12 2.29421448e-02 6.90579158e-03]] Final stress: [-5.59663188e-04 -4.03264457e-04 -3.99063121e-04 -3.76190712e-03 1.07725831e-14 3.12777211e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.91005861e-11 2.89952886e-02 1.06482412e-03] [-1.87661525e-11 1.96165612e-02 -2.08478872e-03] [-1.11686304e-11 -1.96165612e-02 2.08478875e-03] [-1.80556863e-11 -2.89952886e-02 -1.06482413e-03] [ 1.82026106e-11 2.89952886e-02 1.06482412e-03] [ 1.13357882e-11 1.96165612e-02 -2.08478873e-03] [ 1.89081768e-11 -1.96165612e-02 2.08478875e-03] [ 1.94587410e-11 -2.89952886e-02 -1.06482412e-03] [-1.31934691e-11 -2.40749342e-02 6.06956935e-03] [-1.04878493e-11 2.40749342e-02 -6.06956936e-03] [-3.38849012e-12 -2.40749342e-02 6.06956935e-03] [-2.90814378e-12 2.40749343e-02 -6.06956935e-03] [ 4.40728747e-12 -2.29419438e-02 6.90579247e-03] [ 3.83190588e-12 2.29419438e-02 -6.90579247e-03] [ 1.16210944e-11 -2.29419438e-02 6.90579246e-03] [ 9.29249619e-12 2.29419438e-02 -6.90579247e-03]] Final stress: [-5.59654795e-04 -4.03267999e-04 -3.99068961e-04 3.76190557e-03 -3.85601919e-14 2.81239184e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.77363211e-12 -1.18805253e-02 -4.79744574e-04] [-1.42274647e-13 -4.38889123e-03 7.89753870e-04] [ 3.89021931e-12 4.38889123e-03 -7.89753865e-04] [ 3.43191794e-12 1.18805253e-02 4.79744572e-04] [-3.44883031e-12 -1.18805253e-02 -4.79744577e-04] [-4.69085404e-12 -4.38889123e-03 7.89753870e-04] [ 1.41638003e-13 4.38889123e-03 -7.89753862e-04] [ 6.02239808e-12 1.18805253e-02 4.79744568e-04] [ 6.47844712e-12 -8.68390891e-03 -1.74103369e-03] [-2.07407095e-12 8.68390891e-03 1.74103369e-03] [ 1.92926415e-12 -8.68390890e-03 -1.74103369e-03] [ 4.75588969e-12 8.68390891e-03 1.74103368e-03] [-1.85496844e-12 -1.11154600e-02 -2.36926222e-03] [-3.95596712e-12 1.11154600e-02 2.36926221e-03] [-5.92259981e-12 -1.11154600e-02 -2.36926222e-03] [ 2.21258935e-12 1.11154600e-02 2.36926222e-03]] Final stress: [-2.95756289e-05 2.87413016e-05 -5.94012876e-05 -1.21795663e-03 -6.33123261e-14 -2.56219999e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.03665492e-12 4.38886380e-03 7.89837868e-04] [ 3.13438425e-12 1.18805392e-02 -4.79668737e-04] [ 1.15624578e-12 -1.18805392e-02 4.79668733e-04] [ 3.94019799e-12 -4.38886381e-03 -7.89837856e-04] [-3.96704902e-12 4.38886381e-03 7.89837872e-04] [-1.02075813e-12 1.18805392e-02 -4.79668735e-04] [-3.08081414e-12 -1.18805392e-02 4.79668733e-04] [-1.95757061e-12 -4.38886381e-03 -7.89837859e-04] [-2.04265207e-13 -8.68429702e-03 1.74102432e-03] [-2.22743178e-12 8.68429703e-03 -1.74102433e-03] [ 1.85128237e-12 -8.68429702e-03 1.74102432e-03] [ 1.42942949e-12 8.68429702e-03 -1.74102433e-03] [-2.05376298e-12 -1.11151202e-02 2.36926663e-03] [-1.29861822e-12 1.11151202e-02 -2.36926663e-03] [-1.62629106e-14 -1.11151202e-02 2.36926663e-03] [ 2.27262770e-12 1.11151202e-02 -2.36926663e-03]] Final stress: [-2.95664608e-05 2.87361814e-05 -5.94071890e-05 1.21795670e-03 4.65366750e-16 -1.32706210e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.08138663e-11 -7.20693048e-02 3.74669771e-02] [-2.51931258e-11 -6.29598042e-02 4.29272065e-02] [-2.09235909e-11 6.29598042e-02 -4.29272065e-02] [-2.10417100e-11 7.20693048e-02 -3.74669770e-02] [ 2.28792392e-11 -7.20693048e-02 3.74669770e-02] [ 2.16570976e-11 -6.29598042e-02 4.29272065e-02] [ 2.72949802e-11 6.29598042e-02 -4.29272065e-02] [-9.95698229e-12 7.20693048e-02 -3.74669770e-02] [-1.29650023e-11 2.71839186e-02 -2.02024609e-02] [-2.78145545e-11 -2.71839186e-02 2.02024609e-02] [-9.47960449e-12 2.71839186e-02 -2.02024609e-02] [ 3.36889327e-12 -2.71839186e-02 2.02024609e-02] [ 1.06975696e-11 -9.47384476e-02 -1.66580694e-02] [-4.37558117e-12 9.47384476e-02 1.66580694e-02] [ 1.20595739e-11 -9.47384476e-02 -1.66580694e-02] [ 2.29851231e-11 9.47384476e-02 1.66580694e-02]] Final stress: [-1.23978722e-03 3.17866081e-04 -3.52197404e-04 -1.00440398e-02 1.23350333e-13 -9.14285046e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.15611024e-11 6.29600339e-02 4.29258284e-02] [-1.79819408e-11 7.20692695e-02 3.74656497e-02] [-3.10224388e-11 -7.20692695e-02 -3.74656497e-02] [-2.91141555e-11 -6.29600339e-02 -4.29258284e-02] [ 3.02891451e-11 6.29600339e-02 4.29258284e-02] [ 3.16607491e-11 7.20692695e-02 3.74656497e-02] [ 1.93162978e-11 -7.20692695e-02 -3.74656497e-02] [ 3.20285500e-11 -6.29600339e-02 -4.29258284e-02] [-2.01069131e-11 2.71847747e-02 2.02025318e-02] [-1.94385697e-11 -2.71847747e-02 -2.02025318e-02] [-7.93940304e-12 2.71847747e-02 2.02025318e-02] [ 9.80158446e-12 -2.71847747e-02 -2.02025318e-02] [ 8.36988248e-12 -9.47392014e-02 1.66580598e-02] [-7.58577841e-12 9.47392014e-02 -1.66580598e-02] [ 1.67958830e-11 -9.47392014e-02 1.66580598e-02] [ 1.64848320e-11 9.47392014e-02 -1.66580598e-02]] Final stress: [-1.23982882e-03 3.17883087e-04 -3.52164869e-04 1.00440483e-02 4.72427917e-14 1.06255417e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.18331571e-02 -1.04584920e-02 -5.79003377e-03] [ 1.18365134e-02 -8.80622103e-03 -4.43811999e-03] [-1.18365134e-02 8.80622103e-03 4.43811999e-03] [-1.18331571e-02 1.04584920e-02 5.79003378e-03] [ 1.18331571e-02 -1.04584920e-02 -5.79003377e-03] [ 1.18365134e-02 -8.80622104e-03 -4.43811999e-03] [-1.18365134e-02 8.80622103e-03 4.43811999e-03] [-1.18331571e-02 1.04584920e-02 5.79003378e-03] [-6.11423561e-06 -6.39980229e-03 -2.21126239e-03] [ 6.11422934e-06 6.39980229e-03 2.21126239e-03] [-6.11423513e-06 -6.39980229e-03 -2.21126240e-03] [ 6.11423084e-06 6.39980229e-03 2.21126240e-03] [ 2.12263960e-06 -1.36912204e-02 -2.71872845e-03] [-2.12263564e-06 1.36912204e-02 2.71872844e-03] [ 2.12263999e-06 -1.36912204e-02 -2.71872844e-03] [-2.12263470e-06 1.36912204e-02 2.71872844e-03]] Final stress: [-2.37721730e-04 1.57087044e-05 4.54773874e-05 -1.44173514e-03 2.13070964e-04 9.81840777e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.18331654e-02 -1.04585189e-02 -5.78987796e-03] [-1.18365216e-02 -8.80623926e-03 -4.43796690e-03] [ 1.18365216e-02 8.80623926e-03 4.43796690e-03] [ 1.18331654e-02 1.04585189e-02 5.78987796e-03] [-1.18331654e-02 -1.04585189e-02 -5.78987796e-03] [-1.18365216e-02 -8.80623926e-03 -4.43796690e-03] [ 1.18365216e-02 8.80623926e-03 4.43796691e-03] [ 1.18331654e-02 1.04585189e-02 5.78987796e-03] [ 6.11424063e-06 -6.39959577e-03 -2.21127364e-03] [-6.11425189e-06 6.39959577e-03 2.21127364e-03] [ 6.11424351e-06 -6.39959577e-03 -2.21127364e-03] [-6.11424330e-06 6.39959577e-03 2.21127364e-03] [-2.12263885e-06 -1.36914476e-02 -2.71873010e-03] [ 2.12263863e-06 1.36914476e-02 2.71873009e-03] [-2.12263599e-06 -1.36914476e-02 -2.71873010e-03] [ 2.12264641e-06 1.36914476e-02 2.71873010e-03]] Final stress: [-2.37724134e-04 1.57105184e-05 4.54772097e-05 -1.44173788e-03 -2.13071112e-04 -9.81841821e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.18366793e-02 8.80622730e-03 -4.43754799e-03] [ 1.18333230e-02 1.04585644e-02 -5.78946024e-03] [-1.18333230e-02 -1.04585644e-02 5.78946023e-03] [-1.18366793e-02 -8.80622731e-03 4.43754801e-03] [ 1.18366793e-02 8.80622730e-03 -4.43754801e-03] [ 1.18333230e-02 1.04585644e-02 -5.78946024e-03] [-1.18333230e-02 -1.04585644e-02 5.78946024e-03] [-1.18366793e-02 -8.80622730e-03 4.43754800e-03] [ 6.11435082e-06 -6.39951911e-03 2.21127993e-03] [-6.11435223e-06 6.39951912e-03 -2.21127993e-03] [ 6.11434953e-06 -6.39951911e-03 2.21127993e-03] [-6.11435030e-06 6.39951912e-03 -2.21127993e-03] [-2.12267361e-06 -1.36915666e-02 2.71873288e-03] [ 2.12267446e-06 1.36915666e-02 -2.71873288e-03] [-2.12267462e-06 -1.36915666e-02 2.71873289e-03] [ 2.12267598e-06 1.36915666e-02 -2.71873288e-03]] Final stress: [-2.37719306e-04 1.57094690e-05 4.54711254e-05 1.44174022e-03 2.13073916e-04 -9.81850946e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.18366074e-02 8.80618477e-03 -4.43807281e-03] [-1.18332511e-02 1.04584812e-02 -5.78999162e-03] [ 1.18332511e-02 -1.04584812e-02 5.78999161e-03] [ 1.18366073e-02 -8.80618477e-03 4.43807281e-03] [-1.18366073e-02 8.80618477e-03 -4.43807280e-03] [-1.18332511e-02 1.04584812e-02 -5.78999161e-03] [ 1.18332511e-02 -1.04584812e-02 5.78999160e-03] [ 1.18366074e-02 -8.80618476e-03 4.43807280e-03] [-6.11428328e-06 -6.40006963e-03 2.21124928e-03] [ 6.11427939e-06 6.40006964e-03 -2.21124928e-03] [-6.11428452e-06 -6.40006964e-03 2.21124928e-03] [ 6.11428167e-06 6.40006964e-03 -2.21124928e-03] [ 2.12265675e-06 -1.36909499e-02 2.71872778e-03] [-2.12265406e-06 1.36909499e-02 -2.71872778e-03] [ 2.12265551e-06 -1.36909499e-02 2.71872778e-03] [-2.12265217e-06 1.36909499e-02 -2.71872778e-03]] Final stress: [-2.37714744e-04 1.57051889e-05 4.54735391e-05 1.44173248e-03 -2.13072635e-04 9.81844795e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.00605763 -0.0107903 -0.00174305] [ 0.00607632 -0.00834797 -0.00031863] [-0.00607632 0.00834797 0.00031863] [ 0.00605763 0.0107903 0.00174305] [-0.00605763 -0.0107903 -0.00174305] [ 0.00607632 -0.00834797 -0.00031863] [-0.00607632 0.00834797 0.00031863] [ 0.00605763 0.0107903 0.00174305] [-0.0041119 -0.00874422 -0.00213444] [ 0.0041119 0.00874422 0.00213444] [-0.0041119 -0.00874422 -0.00213444] [ 0.0041119 0.00874422 0.00213444] [-0.00042263 -0.01179384 -0.00274941] [ 0.00042263 0.01179384 0.00274941] [-0.00042263 -0.01179384 -0.00274941] [ 0.00042263 0.01179384 0.00274941]] Final stress: [-1.20792446e-04 -3.24799252e-05 -4.97508799e-05 -1.44074936e-03 -3.40332726e-07 -7.90516035e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.00605764 -0.01079032 -0.001743 ] [-0.00607633 -0.00834801 -0.00031859] [ 0.00607633 0.00834801 0.00031859] [-0.00605764 0.01079032 0.001743 ] [ 0.00605764 -0.01079032 -0.001743 ] [-0.00607633 -0.00834801 -0.00031859] [ 0.00607633 0.00834801 0.00031859] [-0.00605764 0.01079032 0.001743 ] [ 0.00411179 -0.00874391 -0.00213445] [-0.00411179 0.00874391 0.00213445] [ 0.00411179 -0.00874391 -0.00213445] [-0.00411179 0.00874391 0.00213445] [ 0.00042275 -0.01179417 -0.00274941] [-0.00042275 0.01179417 0.00274941] [ 0.00042275 -0.01179417 -0.00274941] [-0.00042275 0.01179417 0.00274941]] Final stress: [-1.20799080e-04 -3.24762857e-05 -4.97479737e-05 -1.44075279e-03 3.40335646e-07 7.90540576e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.00607628 0.00834804 -0.00031897] [ 0.00605759 0.01079029 -0.00174338] [-0.00605759 -0.01079029 0.00174338] [ 0.00607628 -0.00834804 0.00031897] [-0.00607628 0.00834804 -0.00031897] [ 0.00605759 0.01079029 -0.00174338] [-0.00605759 -0.01079029 0.00174338] [ 0.00607628 -0.00834804 0.00031897] [-0.00411167 -0.00874386 0.00213445] [ 0.00411167 0.00874386 -0.00213445] [-0.00411167 -0.00874386 0.00213445] [ 0.00411167 0.00874386 -0.00213445] [-0.00042284 -0.01179419 0.0027494 ] [ 0.00042284 0.01179419 -0.0027494 ] [-0.00042284 -0.01179419 0.0027494 ] [ 0.00042284 0.01179419 -0.0027494 ]] Final stress: [-1.20806277e-04 -3.24738338e-05 -4.97411087e-05 1.44075198e-03 3.40335669e-07 -7.90560386e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.00607626 0.00834803 -0.00031912] [-0.00605757 0.01079027 -0.00174353] [ 0.00605757 -0.01079027 0.00174353] [-0.00607626 -0.00834803 0.00031912] [ 0.00607626 0.00834803 -0.00031912] [-0.00605757 0.01079027 -0.00174353] [ 0.00605757 -0.01079027 0.00174353] [-0.00607626 -0.00834803 0.00031912] [ 0.00411169 -0.008744 0.00213445] [-0.00411169 0.008744 -0.00213445] [ 0.00411169 -0.008744 0.00213445] [-0.00411169 0.008744 -0.00213445] [ 0.00042281 -0.01179403 0.0027494 ] [-0.00042281 0.01179403 -0.0027494 ] [ 0.00042281 -0.01179403 0.0027494 ] [-0.00042281 0.01179403 -0.0027494 ]] Final stress: [-1.20805336e-04 -3.24748604e-05 -4.97402535e-05 1.44074995e-03 -3.40334051e-07 7.90554583e-05] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. 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 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.49642454e-11 2.20226200e-03 -5.35583240e-03] [ 6.93573324e-12 -2.99991532e-02 5.81485467e-03] [-3.99504757e-12 2.99991533e-02 -5.81485469e-03] [ 5.67128757e-11 -2.20226199e-03 5.35583242e-03] [-5.71108483e-11 2.20226200e-03 -5.35583235e-03] [ 1.51531088e-12 -2.99991532e-02 5.81485466e-03] [-7.39169457e-12 2.99991533e-02 -5.81485475e-03] [-5.71603845e-11 -2.20226199e-03 5.35583243e-03] [ 1.84985072e-11 -1.80463334e-02 1.05137481e-02] [-6.40467887e-12 1.80463334e-02 -1.05137481e-02] [ 7.16166362e-12 -1.80463334e-02 1.05137481e-02] [ 8.45404866e-12 1.80463334e-02 -1.05137481e-02] [-7.43345923e-12 -1.52671121e-02 -1.60862796e-02] [-7.55411464e-12 1.52671121e-02 1.60862796e-02] [-1.52435201e-11 -1.52671121e-02 -1.60862796e-02] [ 8.04510801e-12 1.52671122e-02 1.60862796e-02]] Final stress: [-6.40400394e-04 -6.97230034e-04 -6.46060551e-04 -4.14890870e-03 4.01258257e-14 -1.07456571e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 6.25823833e-11 2.99991683e-02 5.81564727e-03] [ 9.41314691e-12 -2.20218405e-03 -5.35503301e-03] [ 4.78445837e-11 2.20218405e-03 5.35503293e-03] [ 2.10131626e-11 -2.99991683e-02 -5.81564719e-03] [-2.12309764e-11 2.99991683e-02 5.81564727e-03] [-4.79229941e-11 -2.20218405e-03 -5.35503312e-03] [-9.46908307e-12 2.20218405e-03 5.35503293e-03] [-6.27287115e-11 -2.99991683e-02 -5.81564708e-03] [-5.31637646e-12 -1.80455382e-02 -1.05137256e-02] [-4.42134697e-12 1.80455382e-02 1.05137256e-02] [ 7.74126531e-13 -1.80455382e-02 -1.05137256e-02] [-3.07388490e-12 1.80455382e-02 1.05137256e-02] [ 6.73723664e-13 -1.52680038e-02 1.60862851e-02] [-8.04817557e-13 1.52680038e-02 -1.60862851e-02] [ 9.55265957e-12 -1.52680038e-02 1.60862851e-02] [ 3.10633875e-12 1.52680038e-02 -1.60862851e-02]] Final stress: [-6.40406395e-04 -6.97224012e-04 -6.46064633e-04 4.14891456e-03 1.29468988e-14 -3.93857328e-14] Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.66456530e-11 -3.94612986e-03 -1.12461056e-02] [ 7.95144265e-11 -7.36251429e-02 8.07586792e-03] [-1.25135572e-11 7.36251429e-02 -8.07586800e-03] [ 4.07703211e-12 3.94612985e-03 1.12461057e-02] [-5.10401953e-12 -3.94612985e-03 -1.12461057e-02] [ 5.65029881e-12 -7.36251430e-02 8.07586786e-03] [-7.98120548e-11 7.36251429e-02 -8.07586788e-03] [-3.29783813e-11 3.94612986e-03 1.12461058e-02] [ 3.61771771e-11 -5.47725659e-02 1.49858057e-02] [ 5.21795697e-11 5.47725659e-02 -1.49858057e-02] [-4.04105912e-11 -5.47725660e-02 1.49858057e-02] [ 1.72300507e-11 5.47725660e-02 -1.49858057e-02] [ 3.35007876e-11 -4.03930118e-02 -3.43839924e-02] [-1.06076994e-11 4.03930117e-02 3.43839924e-02] [-3.20456851e-11 -4.03930117e-02 -3.43839924e-02] [-4.15146548e-11 4.03930117e-02 3.43839924e-02]] Final stress: [-1.84934437e-03 -1.69943772e-03 -1.69352308e-03 -9.79686691e-03 5.04912690e-13 3.01032659e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.65882349e-11 7.36262371e-02 8.07634243e-03] [-3.49110159e-11 3.94639577e-03 -1.12455114e-02] [-2.62652002e-11 -3.94639578e-03 1.12455114e-02] [-5.42915799e-12 -7.36262371e-02 -8.07634239e-03] [ 1.11359518e-11 7.36262371e-02 8.07634237e-03] [ 2.20324531e-11 3.94639577e-03 -1.12455113e-02] [ 4.15506422e-11 -3.94639577e-03 1.12455114e-02] [ 1.07668761e-11 -7.36262371e-02 -8.07634246e-03] [ 8.00255283e-12 -5.47681988e-02 -1.49855119e-02] [-2.42365884e-11 5.47681988e-02 1.49855119e-02] [-5.03053266e-11 -5.47681988e-02 -1.49855119e-02] [ 3.69547296e-11 5.47681988e-02 1.49855119e-02] [ 4.56376529e-11 -4.03984368e-02 3.43841444e-02] [-3.18776907e-11 4.03984368e-02 -3.43841444e-02] [-7.60973654e-12 -4.03984368e-02 3.43841444e-02] [ 2.11380886e-11 4.03984367e-02 -3.43841444e-02]] Final stress: [-1.84946675e-03 -1.69939477e-03 -1.69349186e-03 9.79696185e-03 -8.65852339e-14 2.21246856e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.59996448e-11 -4.45671452e-02 -1.33339214e-02] [ 3.56433682e-11 -3.82363748e-02 3.28479956e-03] [-1.34435099e-11 3.82363748e-02 -3.28479955e-03] [-1.49641089e-11 4.45671452e-02 1.33339214e-02] [ 1.15947981e-11 -4.45671452e-02 -1.33339214e-02] [ 1.70506708e-11 -3.82363748e-02 3.28479952e-03] [-3.86969162e-11 3.82363748e-02 -3.28479956e-03] [-3.30399289e-11 4.45671452e-02 1.33339214e-02] [-2.53833976e-12 -7.07360070e-02 6.57068921e-03] [ 1.39817463e-11 7.07360070e-02 -6.57068923e-03] [-1.42791768e-12 -7.07360070e-02 6.57068921e-03] [-2.18065193e-11 7.07360070e-02 -6.57068923e-03] [ 8.91412378e-13 -6.13489052e-02 -2.80115942e-02] [ 1.93333266e-11 6.13489052e-02 2.80115942e-02] [ 7.36828567e-13 -6.13489052e-02 -2.80115942e-02] [-9.31441231e-12 6.13489052e-02 2.80115942e-02]] Final stress: [-1.43624020e-03 -7.36365488e-04 -9.16661207e-04 -9.07073888e-03 4.44620867e-13 -6.40849908e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.03450274e-11 3.82253443e-02 3.31269304e-03] [-3.05893069e-11 4.45046371e-02 -1.33035238e-02] [-3.42681114e-12 -4.45046371e-02 1.33035238e-02] [-3.35414613e-11 -3.82253443e-02 -3.31269306e-03] [ 3.16973697e-11 3.82253443e-02 3.31269304e-03] [ 6.89466713e-12 4.45046371e-02 -1.33035238e-02] [ 2.85458680e-11 -4.45046371e-02 1.33035238e-02] [ 2.34793194e-11 -3.82253443e-02 -3.31269303e-03] [-1.60202938e-11 -7.06257849e-02 -6.58258562e-03] [-9.26713220e-12 7.06257850e-02 6.58258562e-03] [ 1.80374482e-11 -7.06257849e-02 -6.58258563e-03] [-2.97641902e-12 7.06257850e-02 6.58258561e-03] [-1.33415449e-11 -6.12989850e-02 2.79999468e-02] [ 1.27472859e-12 6.12989850e-02 -2.79999468e-02] [ 1.30335998e-11 -6.12989850e-02 2.79999468e-02] [ 6.55121251e-12 6.12989850e-02 -2.79999467e-02]] Final stress: [-1.43508038e-03 -7.35991100e-04 -9.16147522e-04 9.06497236e-03 -6.19144359e-14 -7.42437794e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.43997707e-11 -1.68984056e-03 -1.04111501e-02] [ 4.18575359e-11 -5.55642366e-02 7.04478725e-03] [ 3.91868529e-11 5.55642366e-02 -7.04478728e-03] [ 3.48156287e-11 1.68984056e-03 1.04111502e-02] [-3.63177240e-11 -1.68984054e-03 -1.04111502e-02] [-3.73114486e-11 -5.55642366e-02 7.04478729e-03] [-4.37794894e-11 5.55642366e-02 -7.04478726e-03] [-2.26625368e-11 1.68984057e-03 1.04111501e-02] [ 2.64006310e-11 -4.03558744e-02 1.48508394e-02] [ 6.02369005e-11 4.03558743e-02 -1.48508394e-02] [-5.04558553e-11 -4.03558744e-02 1.48508394e-02] [-4.81825170e-11 4.03558743e-02 -1.48508394e-02] [ 4.39633469e-11 -3.05358261e-02 -2.81412120e-02] [ 4.30717007e-11 3.05358261e-02 2.81412120e-02] [-2.35191357e-11 -3.05358261e-02 -2.81412120e-02] [-5.17076470e-11 3.05358261e-02 2.81412120e-02]] Final stress: [-1.38718070e-03 -1.29778424e-03 -1.22065335e-03 -7.71285584e-03 -3.37652855e-14 1.52207863e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.87777593e-12 5.55646358e-02 7.04862678e-03] [ 6.98558251e-11 1.69055563e-03 -1.04072933e-02] [ 4.56138651e-11 -1.69055562e-03 1.04072933e-02] [ 2.40485626e-11 -5.55646358e-02 -7.04862675e-03] [-2.59862452e-11 5.55646358e-02 7.04862676e-03] [-4.44426245e-11 1.69055563e-03 -1.04072932e-02] [-7.14325787e-11 -1.69055561e-03 1.04072933e-02] [-1.81739606e-12 -5.55646358e-02 -7.04862683e-03] [ 1.83465133e-11 -4.03552677e-02 -1.48506361e-02] [ 5.58882931e-11 4.03552677e-02 1.48506360e-02] [-4.31323044e-11 -4.03552677e-02 -1.48506360e-02] [-4.29451995e-11 4.03552677e-02 1.48506360e-02] [ 3.68944341e-11 -3.05382059e-02 2.81413611e-02] [ 3.94140178e-11 3.05382058e-02 -2.81413611e-02] [-1.64311908e-11 -3.05382059e-02 2.81413611e-02] [-4.67527478e-11 3.05382059e-02 -2.81413611e-02]] Final stress: [-1.38716960e-03 -1.29779754e-03 -1.22071666e-03 7.71293865e-03 1.41928981e-14 1.86601596e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.19001007e-11 -8.05961278e-02 -1.75854377e-02] [-2.81450340e-11 -6.79919842e-02 3.40179478e-03] [ 1.35259816e-11 6.79919842e-02 -3.40179485e-03] [-2.52707933e-11 8.05961278e-02 1.75854378e-02] [ 2.67762015e-11 -8.05961278e-02 -1.75854378e-02] [-1.23711852e-11 -6.79919842e-02 3.40179475e-03] [ 3.05795054e-11 6.79919842e-02 -3.40179470e-03] [ 1.49105452e-11 8.05961278e-02 1.75854378e-02] [-4.81471113e-12 -1.23483858e-01 1.93082917e-03] [-3.29904680e-12 1.23483858e-01 -1.93082913e-03] [ 4.05954393e-12 -1.23483858e-01 1.93082915e-03] [ 5.11734752e-14 1.23483858e-01 -1.93082915e-03] [-4.44705817e-12 -1.10082592e-01 -4.45607918e-02] [-1.45008951e-12 1.10082592e-01 4.45607918e-02] [ 2.79921270e-12 -1.10082592e-01 -4.45607918e-02] [-1.02235240e-12 1.10082592e-01 4.45607918e-02]] Final stress: [-2.52351443e-03 -1.21645580e-03 -1.69933146e-03 -1.51553048e-02 -1.30589331e-13 -7.79181333e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.95075603e-11 6.79916626e-02 3.39257739e-03] [-1.57636658e-11 8.05945127e-02 -1.75948314e-02] [-2.30270178e-11 -8.05945127e-02 1.75948314e-02] [-3.37937968e-11 -6.79916626e-02 -3.39257733e-03] [ 3.77013242e-11 6.79916626e-02 3.39257745e-03] [ 2.45861703e-11 8.05945127e-02 -1.75948313e-02] [ 1.91527917e-11 -8.05945127e-02 1.75948313e-02] [ 4.09667502e-11 -6.79916626e-02 -3.39257740e-03] [-2.08740861e-11 -1.23495356e-01 -1.93125732e-03] [-1.32243825e-11 1.23495356e-01 1.93125733e-03] [ 9.41893254e-12 -1.23495356e-01 -1.93125732e-03] [ 9.42341517e-12 1.23495356e-01 1.93125731e-03] [-1.01883979e-11 -1.10068825e-01 4.45605336e-02] [-8.94856577e-12 1.10068825e-01 -4.45605336e-02] [ 1.53428156e-11 -1.10068825e-01 4.45605336e-02] [ 8.72777371e-12 1.10068825e-01 -4.45605336e-02]] Final stress: [-2.52337776e-03 -1.21656538e-03 -1.69931490e-03 1.51551696e-02 8.73147417e-15 3.68013107e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.29332275e-12 -1.81702059e-02 2.88259872e-03] [-2.72169613e-12 -1.45137228e-02 5.09850127e-03] [-8.43145139e-12 1.45137228e-02 -5.09850127e-03] [-4.84018381e-12 1.81702059e-02 -2.88259872e-03] [ 4.85464013e-12 -1.81702059e-02 2.88259872e-03] [ 8.65321400e-12 -1.45137228e-02 5.09850128e-03] [ 2.74068582e-12 1.45137228e-02 -5.09850128e-03] [ 5.45231048e-12 1.81702058e-02 -2.88259872e-03] [-8.13817481e-12 -7.33326084e-03 -3.96705779e-03] [-3.23277169e-12 7.33326085e-03 3.96705779e-03] [ 1.92581411e-12 -7.33326084e-03 -3.96705779e-03] [ 3.07217186e-12 7.33326086e-03 3.96705779e-03] [-1.73243364e-12 -2.05033307e-02 -4.50810097e-03] [-2.32790653e-12 2.05033307e-02 4.50810097e-03] [ 7.04749547e-12 -2.05033307e-02 -4.50810097e-03] [ 2.96040024e-12 2.05033307e-02 4.50810097e-03]] Final stress: [-2.28399630e-04 -2.59909902e-05 -1.21789365e-04 -2.46633382e-03 2.34815958e-14 3.03629830e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.44939929e-12 1.45138923e-02 5.10107016e-03] [ 1.45579078e-13 1.81706277e-02 2.88519194e-03] [-7.67656717e-12 -1.81706277e-02 -2.88519193e-03] [-6.60821224e-12 -1.45138923e-02 -5.10107016e-03] [ 6.20037149e-12 1.45138923e-02 5.10107017e-03] [ 7.42460086e-12 1.81706277e-02 2.88519194e-03] [-5.08406902e-13 -1.81706277e-02 -2.88519194e-03] [ 4.20469063e-12 -1.45138923e-02 -5.10107015e-03] [-5.63364481e-12 -7.33133726e-03 3.96719700e-03] [-2.07366936e-12 7.33133726e-03 -3.96719701e-03] [ 2.47814638e-12 -7.33133726e-03 3.96719700e-03] [ 5.54921647e-12 7.33133727e-03 -3.96719701e-03] [-1.97147680e-12 -2.05055577e-02 4.50812997e-03] [-4.38221247e-12 2.05055577e-02 -4.50812998e-03] [ 4.99667452e-12 -2.05055577e-02 4.50812997e-03] [ 2.28927389e-12 2.05055577e-02 -4.50812998e-03]] Final stress: [-2.28403900e-04 -2.59795180e-05 -1.21810108e-04 2.46637102e-03 4.46926105e-14 3.08501011e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.42859442e-02 -3.49860867e-02 -2.28172878e-03] [-3.43408302e-02 -5.83745345e-02 1.39258729e-02] [ 3.43408302e-02 5.83745345e-02 -1.39258729e-02] [ 3.42859442e-02 3.49860867e-02 2.28172881e-03] [-3.42859442e-02 -3.49860867e-02 -2.28172880e-03] [-3.43408302e-02 -5.83745345e-02 1.39258728e-02] [ 3.43408302e-02 5.83745344e-02 -1.39258729e-02] [ 3.42859442e-02 3.49860867e-02 2.28172886e-03] [ 1.40581172e-04 -7.99575414e-02 5.47774432e-03] [-1.40581151e-04 7.99575414e-02 -5.47774432e-03] [ 1.40581149e-04 -7.99575415e-02 5.47774433e-03] [-1.40581164e-04 7.99575415e-02 -5.47774433e-03] [-4.12915632e-05 -5.88110934e-02 -3.05263150e-02] [ 4.12915736e-05 5.88110934e-02 3.05263150e-02] [-4.12915817e-05 -5.88110933e-02 -3.05263150e-02] [ 4.12915619e-05 5.88110934e-02 3.05263150e-02]] Final stress: [-1.60751416e-03 -1.36779512e-03 -1.64067609e-03 -1.00121308e-02 -6.09111134e-04 -1.36572666e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.44152569e-02 -3.48841643e-02 -2.21729151e-03] [ 3.44702305e-02 -5.83009152e-02 1.39905449e-02] [-3.44702305e-02 5.83009152e-02 -1.39905449e-02] [-3.44152569e-02 3.48841643e-02 2.21729148e-03] [ 3.44152569e-02 -3.48841643e-02 -2.21729145e-03] [ 3.44702305e-02 -5.83009152e-02 1.39905449e-02] [-3.44702305e-02 5.83009152e-02 -1.39905449e-02] [-3.44152569e-02 3.48841643e-02 2.21729152e-03] [-1.40915898e-04 -7.97829727e-02 5.50805589e-03] [ 1.40915908e-04 7.97829726e-02 -5.50805588e-03] [-1.40915891e-04 -7.97829727e-02 5.50805589e-03] [ 1.40915904e-04 7.97829727e-02 -5.50805589e-03] [ 4.14006856e-05 -5.86737346e-02 -3.04985314e-02] [-4.14006976e-05 5.86737346e-02 3.04985314e-02] [ 4.14006937e-05 -5.86737346e-02 -3.04985314e-02] [-4.14007036e-05 5.86737346e-02 3.04985314e-02]] Final stress: [-1.60334177e-03 -1.36657434e-03 -1.63932491e-03 -9.99850560e-03 6.11414072e-04 1.37049964e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.43405324e-02 5.83743396e-02 1.39253807e-02] [-3.42856471e-02 3.49859869e-02 -2.28226445e-03] [ 3.42856471e-02 -3.49859869e-02 2.28226438e-03] [ 3.43405324e-02 -5.83743396e-02 -1.39253806e-02] [-3.43405324e-02 5.83743396e-02 1.39253806e-02] [-3.42856471e-02 3.49859869e-02 -2.28226437e-03] [ 3.42856471e-02 -3.49859869e-02 2.28226442e-03] [ 3.43405324e-02 -5.83743396e-02 -1.39253807e-02] [-1.40579732e-04 -7.99600245e-02 -5.47782241e-03] [ 1.40579761e-04 7.99600244e-02 5.47782242e-03] [-1.40579750e-04 -7.99600244e-02 -5.47782241e-03] [ 1.40579736e-04 7.99600244e-02 5.47782242e-03] [ 4.12911667e-05 -5.88084868e-02 3.05262961e-02] [-4.12911529e-05 5.88084868e-02 -3.05262961e-02] [ 4.12911516e-05 -5.88084868e-02 3.05262961e-02] [-4.12911756e-05 5.88084868e-02 -3.05262961e-02]] Final stress: [-1.60746408e-03 -1.36782347e-03 -1.64069613e-03 1.00121128e-02 -6.09105826e-04 1.36571263e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.43405162e-02 5.83743810e-02 1.39260189e-02] [ 3.42856308e-02 3.49860636e-02 -2.28161170e-03] [-3.42856308e-02 -3.49860636e-02 2.28161170e-03] [-3.43405162e-02 -5.83743810e-02 -1.39260189e-02] [ 3.43405162e-02 5.83743810e-02 1.39260190e-02] [ 3.42856308e-02 3.49860636e-02 -2.28161165e-03] [-3.42856308e-02 -3.49860636e-02 2.28161170e-03] [-3.43405162e-02 -5.83743810e-02 -1.39260190e-02] [ 1.40579805e-04 -7.99591279e-02 -5.47779264e-03] [-1.40579780e-04 7.99591280e-02 5.47779264e-03] [ 1.40579788e-04 -7.99591279e-02 -5.47779264e-03] [-1.40579799e-04 7.99591279e-02 5.47779264e-03] [-4.12911707e-05 -5.88094713e-02 3.05263056e-02] [ 4.12911794e-05 5.88094712e-02 -3.05263056e-02] [-4.12911866e-05 -5.88094713e-02 3.05263056e-02] [ 4.12911637e-05 5.88094713e-02 -3.05263056e-02]] Final stress: [-1.60747484e-03 -1.36781542e-03 -1.64069658e-03 1.00121203e-02 6.09105545e-04 -1.36571238e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.20788709e-02 -2.48490814e-02 -7.76920991e-03] [-3.15659314e-02 -5.89585624e-02 1.02414001e-02] [ 3.15659314e-02 5.89585624e-02 -1.02414002e-02] [-3.20788708e-02 2.48490814e-02 7.76921005e-03] [ 3.20788708e-02 -2.48490814e-02 -7.76921006e-03] [-3.15659314e-02 -5.89585624e-02 1.02414001e-02] [ 3.15659314e-02 5.89585624e-02 -1.02414001e-02] [-3.20788709e-02 2.48490814e-02 7.76921004e-03] [ 3.12860516e-05 -6.37853341e-02 1.02214335e-02] [-3.12860518e-05 6.37853342e-02 -1.02214335e-02] [ 3.12860276e-05 -6.37853342e-02 1.02214335e-02] [-3.12860450e-05 6.37853342e-02 -1.02214335e-02] [-1.51571506e-02 -5.15343740e-02 -3.17823477e-02] [ 1.51571506e-02 5.15343740e-02 3.17823477e-02] [-1.51571506e-02 -5.15343740e-02 -3.17823477e-02] [ 1.51571506e-02 5.15343740e-02 3.17823477e-02]] Final stress: [-1.55562994e-03 -1.28702247e-03 -1.42650646e-03 -9.72009127e-03 -9.20067724e-06 -9.44176974e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.20790622e-02 -2.48488019e-02 -7.77040468e-03] [ 3.15661253e-02 -5.89583927e-02 1.02402314e-02] [-3.15661254e-02 5.89583927e-02 -1.02402314e-02] [ 3.20790621e-02 2.48488019e-02 7.77040466e-03] [-3.20790621e-02 -2.48488019e-02 -7.77040464e-03] [ 3.15661254e-02 -5.89583927e-02 1.02402314e-02] [-3.15661253e-02 5.89583927e-02 -1.02402315e-02] [ 3.20790622e-02 2.48488019e-02 7.77040469e-03] [-3.11010376e-05 -6.37867944e-02 1.02215277e-02] [ 3.11010241e-05 6.37867944e-02 -1.02215277e-02] [-3.11009913e-05 -6.37867944e-02 1.02215277e-02] [ 3.11010232e-05 6.37867944e-02 -1.02215277e-02] [ 1.51568825e-02 -5.15323429e-02 -3.17822946e-02] [-1.51568825e-02 5.15323429e-02 3.17822947e-02] [ 1.51568826e-02 -5.15323429e-02 -3.17822947e-02] [-1.51568825e-02 5.15323429e-02 3.17822946e-02]] Final stress: [-1.55560510e-03 -1.28703577e-03 -1.42650308e-03 -9.72005956e-03 9.20056658e-06 9.44170414e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.15663800e-02 5.89582236e-02 1.02385517e-02] [-3.20793132e-02 2.48484499e-02 -7.77211201e-03] [ 3.20793133e-02 -2.48484499e-02 7.77211206e-03] [-3.15663799e-02 -5.89582236e-02 -1.02385517e-02] [ 3.15663799e-02 5.89582236e-02 1.02385517e-02] [-3.20793133e-02 2.48484499e-02 -7.77211201e-03] [ 3.20793132e-02 -2.48484499e-02 7.77211201e-03] [-3.15663800e-02 -5.89582236e-02 -1.02385517e-02] [ 3.09603315e-05 -6.37883950e-02 -1.02216355e-02] [-3.09603100e-05 6.37883950e-02 1.02216355e-02] [ 3.09603014e-05 -6.37883950e-02 -1.02216355e-02] [-3.09603356e-05 6.37883950e-02 1.02216355e-02] [-1.51566329e-02 -5.15300490e-02 3.17822315e-02] [ 1.51566329e-02 5.15300490e-02 -3.17822315e-02] [-1.51566329e-02 -5.15300490e-02 3.17822316e-02] [ 1.51566329e-02 5.15300490e-02 -3.17822316e-02]] Final stress: [-1.55558353e-03 -1.28704851e-03 -1.42649267e-03 9.72002256e-03 9.20043792e-06 -9.44164101e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.15657414e-02 5.89586745e-02 1.02426903e-02] [ 3.20786836e-02 2.48493399e-02 -7.76790073e-03] [-3.20786836e-02 -2.48493399e-02 7.76790084e-03] [ 3.15657415e-02 -5.89586745e-02 -1.02426904e-02] [-3.15657415e-02 5.89586745e-02 1.02426905e-02] [ 3.20786836e-02 2.48493399e-02 -7.76790085e-03] [-3.20786836e-02 -2.48493399e-02 7.76790070e-03] [ 3.15657414e-02 -5.89586745e-02 -1.02426903e-02] [-3.13651409e-05 -6.37842198e-02 -1.02213571e-02] [ 3.13651745e-05 6.37842199e-02 1.02213571e-02] [-3.13651863e-05 -6.37842198e-02 -1.02213571e-02] [ 3.13651719e-05 6.37842198e-02 1.02213571e-02] [ 1.51573108e-02 -5.15359904e-02 3.17823930e-02] [-1.51573108e-02 5.15359904e-02 -3.17823930e-02] [ 1.51573108e-02 -5.15359904e-02 3.17823930e-02] [-1.51573108e-02 5.15359904e-02 -3.17823930e-02]] Final stress: [-1.55564321e-03 -1.28701415e-03 -1.42651573e-03 9.72011766e-03 -9.20076859e-06 9.44181096e-04] Minimization converged after 5 steps. Minimization converged after 5 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 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.52864635e-10 3.30253467e-02 -1.00779073e-02] [ 2.95827258e-11 -1.07212177e-01 5.70535668e-03] [-7.86606985e-11 1.07212177e-01 -5.70535600e-03] [-1.05665531e-10 -3.30253466e-02 1.00779066e-02] [ 9.87461950e-11 3.30253467e-02 -1.00779070e-02] [ 7.93508119e-11 -1.07212177e-01 5.70535648e-03] [-3.74976554e-11 1.07212177e-01 -5.70535623e-03] [ 1.53210206e-10 -3.30253466e-02 1.00779068e-02] [-9.37552280e-11 -4.51574347e-02 3.70704871e-02] [ 4.46613172e-11 4.51574345e-02 -3.70704871e-02] [ 5.23351091e-11 -4.51574346e-02 3.70704871e-02] [ 9.62020177e-11 4.51574345e-02 -3.70704871e-02] [-4.83600564e-11 -1.83457579e-02 -5.11220686e-02] [-7.82010686e-11 1.83457580e-02 5.11220686e-02] [ 7.58857144e-11 -1.83457579e-02 -5.11220686e-02] [-3.49710607e-11 1.83457580e-02 5.11220686e-02]] Final stress: [-2.20561096e-03 -2.71190752e-03 -2.41560224e-03 -1.22928063e-02 2.68545478e-13 8.43636268e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.66767468e-10 1.07206903e-01 5.70464937e-03] [ 1.20911215e-11 -3.30228136e-02 -1.00780089e-02] [-1.86693961e-10 3.30228136e-02 1.00780084e-02] [-1.37680368e-10 -1.07206903e-01 -5.70464884e-03] [ 1.35134899e-10 1.07206903e-01 5.70464862e-03] [ 1.89026478e-10 -3.30228136e-02 -1.00780080e-02] [-1.32058486e-11 3.30228136e-02 1.00780091e-02] [ 1.68386041e-10 -1.07206903e-01 -5.70464974e-03] [-8.44673804e-11 -4.51561902e-02 -3.70687332e-02] [-2.29504271e-11 4.51561903e-02 3.70687332e-02] [ 5.64686429e-11 -4.51561902e-02 -3.70687332e-02] [ 7.34374549e-11 4.51561902e-02 3.70687332e-02] [-5.47200332e-11 -1.83457202e-02 5.11196525e-02] [-5.35606128e-11 1.83457201e-02 -5.11196525e-02] [ 6.23837696e-11 -1.83457202e-02 5.11196525e-02] [ 2.31175899e-11 1.83457202e-02 -5.11196525e-02]] Final stress: [-2.20551762e-03 -2.71176739e-03 -2.41547278e-03 1.22922762e-02 7.63575131e-13 3.93233656e-13] Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.19189987e-10 1.47874411e-02 -9.97522214e-03] [-2.99830000e-10 -7.73328000e-02 1.87008184e-03] [ 3.10096415e-11 7.73328000e-02 -1.87008213e-03] [-1.67746417e-10 -1.47874411e-02 9.97522242e-03] [ 1.62025983e-10 1.47874411e-02 -9.97522262e-03] [-3.84011503e-11 -7.73328000e-02 1.87008213e-03] [ 2.93127697e-10 7.73328000e-02 -1.87008164e-03] [ 1.13012459e-10 -1.47874411e-02 9.97522215e-03] [ 6.09081210e-12 -4.76880368e-02 2.71889024e-02] [-4.29482803e-11 4.76880367e-02 -2.71889024e-02] [ 1.45386168e-10 -4.76880369e-02 2.71889024e-02] [ 1.09151492e-10 4.76880368e-02 -2.71889024e-02] [-1.11589554e-10 -2.01112667e-02 -3.88239281e-02] [-1.04981204e-10 2.01112667e-02 3.88239281e-02] [ 3.16293305e-12 -2.01112666e-02 -3.88239281e-02] [ 2.17178410e-11 2.01112667e-02 3.88239281e-02]] Final stress: [-1.68933238e-03 -1.96785539e-03 -1.78936905e-03 -9.69959742e-03 -1.24645758e-12 -4.89745479e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.99454747e-10 7.78683698e-02 1.87129855e-03] [-3.67193407e-10 -1.49973223e-02 -1.00770645e-02] [-3.12036038e-10 1.49973223e-02 1.00770644e-02] [-2.67128347e-10 -7.78683698e-02 -1.87129846e-03] [ 2.71703616e-10 7.78683698e-02 1.87129809e-03] [ 3.09385640e-10 -1.49973223e-02 -1.00770643e-02] [ 3.71529528e-10 1.49973223e-02 1.00770649e-02] [ 1.97064141e-10 -7.78683698e-02 -1.87129866e-03] [-1.57412040e-10 -4.80671850e-02 -2.73439318e-02] [-2.50674856e-10 4.80671850e-02 2.73439318e-02] [ 1.83491550e-10 -4.80671851e-02 -2.73439318e-02] [ 1.76066585e-10 4.80671850e-02 2.73439318e-02] [-1.50261359e-10 -2.02075975e-02 3.90681134e-02] [-1.52190435e-10 2.02075975e-02 -3.90681134e-02] [ 1.36876279e-10 -2.02075975e-02 3.90681134e-02] [ 2.10222097e-10 2.02075975e-02 -3.90681134e-02]] Final stress: [-1.70264517e-03 -1.98390845e-03 -1.80412026e-03 9.75583587e-03 5.18816180e-14 -4.66129163e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-4.03397825e-11 2.09487804e-03 -2.08623655e-03] [ 2.73581492e-11 -9.93607646e-03 1.52827471e-03] [ 6.28731464e-12 9.93607646e-03 -1.52827469e-03] [-5.88164326e-12 -2.09487804e-03 2.08623653e-03] [ 7.40784419e-12 2.09487804e-03 -2.08623653e-03] [-4.13188450e-12 -9.93607646e-03 1.52827465e-03] [-2.58686949e-11 9.93607645e-03 -1.52827471e-03] [ 4.24469533e-11 -2.09487804e-03 2.08623660e-03] [-2.50763548e-11 -6.03405261e-03 3.49751273e-03] [-1.03612509e-11 6.03405263e-03 -3.49751273e-03] [-1.66223976e-11 -6.03405261e-03 3.49751273e-03] [-9.03183431e-12 6.03405265e-03 -3.49751273e-03] [ 1.26163160e-11 -3.95507721e-03 -4.88674097e-03] [ 1.01422386e-11 3.95507719e-03 4.88674097e-03] [ 2.00446351e-11 -3.95507721e-03 -4.88674097e-03] [ 1.10083189e-11 3.95507718e-03 4.88674096e-03]] Final stress: [-1.16655692e-04 -2.50212111e-04 -1.98957148e-04 -1.21620752e-03 -5.94376206e-14 1.05304022e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.34030796e-11 9.93607133e-03 1.52852521e-03] [ 2.75024695e-11 -2.09479168e-03 -2.08598958e-03] [-2.54925460e-11 2.09479168e-03 2.08598967e-03] [ 2.41551978e-11 -9.93607132e-03 -1.52852531e-03] [-2.26498054e-11 9.93607133e-03 1.52852522e-03] [ 2.76408323e-11 -2.09479167e-03 -2.08598957e-03] [-2.60604516e-11 2.09479168e-03 2.08598967e-03] [ 3.55020479e-11 -9.93607132e-03 -1.52852531e-03] [-2.93649189e-11 -6.03398788e-03 -3.49750034e-03] [-1.02665446e-11 6.03398784e-03 3.49750034e-03] [-1.97623223e-11 -6.03398788e-03 -3.49750034e-03] [-7.52719805e-12 6.03398784e-03 3.49750034e-03] [ 1.37975911e-11 -3.95538692e-03 4.88675078e-03] [ 1.05755777e-11 3.95538695e-03 -4.88675078e-03] [ 2.22395606e-11 -3.95538692e-03 4.88675078e-03] [ 1.31207825e-11 3.95538695e-03 -4.88675078e-03]] Final stress: [-1.16657760e-04 -2.50211484e-04 -1.98960193e-04 1.21621365e-03 -1.97999829e-14 1.64090658e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 7.20765781e-11 2.24648848e-02 -1.46084742e-02] [ 7.12601421e-11 -9.71696827e-02 -2.92655435e-05] [-4.18740166e-11 9.71696827e-02 2.92649881e-05] [ 5.68537908e-11 -2.24648849e-02 1.46084748e-02] [-6.20345524e-11 2.24648849e-02 -1.46084747e-02] [ 3.42856260e-11 -9.71696827e-02 -2.92650385e-05] [-7.79392737e-11 9.71696827e-02 2.92654351e-05] [-7.83161684e-11 -2.24648848e-02 1.46084743e-02] [ 1.07079113e-10 -5.71424079e-02 3.36527301e-02] [ 9.04576691e-11 5.71424079e-02 -3.36527301e-02] [ 2.10835464e-11 -5.71424079e-02 3.36527301e-02] [-1.96931551e-11 5.71424078e-02 -3.36527301e-02] [-2.13841735e-11 -2.08354405e-02 -4.82473481e-02] [ 2.10297841e-11 2.08354404e-02 4.82473481e-02] [-9.68105649e-11 -2.08354404e-02 -4.82473481e-02] [-7.60705663e-11 2.08354405e-02 4.82473481e-02]] Final stress: [-2.11974655e-03 -2.50382080e-03 -2.21487842e-03 -1.18514737e-02 5.69032087e-13 -2.07771810e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.45386630e-10 9.71689037e-02 -2.91518415e-05] [-2.82560001e-10 -2.24645701e-02 -1.46082566e-02] [ 8.12175430e-11 2.24645700e-02 1.46082566e-02] [-2.83129637e-10 -9.71689037e-02 2.91517794e-05] [ 2.83339956e-10 9.71689037e-02 -2.91517686e-05] [-8.33705973e-11 -2.24645700e-02 -1.46082565e-02] [ 2.81280486e-10 2.24645701e-02 1.46082565e-02] [ 1.45446795e-10 -9.71689037e-02 2.91516929e-05] [-3.90895202e-11 -5.71418575e-02 -3.36524722e-02] [-8.19138516e-11 5.71418575e-02 3.36524722e-02] [ 1.12145460e-10 -5.71418575e-02 -3.36524723e-02] [ 5.23265741e-11 5.71418574e-02 3.36524722e-02] [-7.73928491e-11 -2.08355402e-02 4.82469712e-02] [-5.75372459e-11 2.08355401e-02 -4.82469711e-02] [ 4.60332594e-11 -2.08355402e-02 4.82469711e-02] [ 4.85834646e-11 2.08355402e-02 -4.82469711e-02]] Final stress: [-2.11973169e-03 -2.50379794e-03 -2.21485908e-03 1.18513893e-02 -1.02678510e-12 -5.62766161e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.74615174e-11 3.21087459e-03 -4.24499448e-03] [-2.47049371e-11 -1.93146890e-02 2.62833445e-03] [ 4.82881419e-11 1.93146890e-02 -2.62833468e-03] [ 3.38638249e-11 -3.21087461e-03 4.24499473e-03] [-3.53160092e-11 3.21087461e-03 -4.24499481e-03] [-4.51404318e-11 -1.93146890e-02 2.62833453e-03] [ 2.34127778e-11 1.93146890e-02 -2.62833436e-03] [-9.44450098e-11 -3.21087459e-03 4.24499464e-03] [ 5.84482809e-12 -1.45493381e-02 6.31212921e-03] [-1.11833138e-11 1.45493381e-02 -6.31212922e-03] [ 2.02304547e-11 -1.45493381e-02 6.31212921e-03] [-5.11403311e-11 1.45493381e-02 -6.31212922e-03] [-1.49202400e-11 -9.22303014e-03 -9.45733788e-03] [ 3.98659822e-11 9.22303011e-03 9.45733787e-03] [ 7.61677356e-13 -9.22303007e-03 -9.45733788e-03] [ 7.10978691e-12 9.22303008e-03 9.45733788e-03]] Final stress: [-4.15979425e-04 -5.07537152e-04 -4.72891278e-04 -2.43011380e-03 -4.05347090e-14 -4.27650641e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.08860655e-11 1.93147682e-02 2.62812594e-03] [ 4.62303590e-11 -3.21089903e-03 -4.24522233e-03] [ 4.94382477e-11 3.21089903e-03 4.24522239e-03] [ 5.08716472e-11 -1.93147682e-02 -2.62812601e-03] [-4.59419137e-11 1.93147682e-02 2.62812590e-03] [-4.95800332e-11 -3.21089903e-03 -4.24522249e-03] [-4.14768914e-11 3.21089903e-03 4.24522244e-03] [-5.10846701e-11 -1.93147682e-02 -2.62812585e-03] [-1.07512246e-11 -1.45493326e-02 -6.31214694e-03] [-1.71022363e-11 1.45493326e-02 6.31214694e-03] [-4.85006907e-11 -1.45493326e-02 -6.31214694e-03] [-7.99655914e-12 1.45493327e-02 6.31214694e-03] [ 4.15941973e-11 -9.22310457e-03 9.45736753e-03] [ 4.94330141e-12 9.22310454e-03 -9.45736752e-03] [ 1.21382398e-11 -9.22310451e-03 9.45736753e-03] [ 1.63335828e-11 9.22310449e-03 -9.45736753e-03]] Final stress: [-4.15986127e-04 -5.07537110e-04 -4.72888648e-04 2.43012171e-03 -1.39290649e-14 1.57085096e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.86159299e-03 1.91556858e-02 -1.20036290e-02] [ 2.86658677e-03 -7.85351193e-02 5.29617113e-03] [-2.86658677e-03 7.85351193e-02 -5.29617103e-03] [-2.86159299e-03 -1.91556858e-02 1.20036289e-02] [ 2.86159299e-03 1.91556858e-02 -1.20036289e-02] [ 2.86658676e-03 -7.85351193e-02 5.29617105e-03] [-2.86658677e-03 7.85351193e-02 -5.29617110e-03] [-2.86159299e-03 -1.91556858e-02 1.20036290e-02] [-1.25367901e-05 -4.37137921e-02 2.65575032e-02] [ 1.25368168e-05 4.37137921e-02 -2.65575032e-02] [-1.25367845e-05 -4.37137921e-02 2.65575032e-02] [ 1.25368040e-05 4.37137921e-02 -2.65575032e-02] [ 6.44205141e-06 -2.27044557e-02 -3.84755064e-02] [-6.44206583e-06 2.27044557e-02 3.84755064e-02] [ 6.44205709e-06 -2.27044557e-02 -3.84755064e-02] [-6.44207791e-06 2.27044557e-02 3.84755064e-02]] Final stress: [-1.81439544e-03 -2.02617253e-03 -1.83173011e-03 -9.48386898e-03 5.20106627e-05 3.28080003e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.86833868e-03 1.91543433e-02 -1.20029136e-02] [-2.87334182e-03 -7.85310374e-02 5.29604654e-03] [ 2.87334183e-03 7.85310374e-02 -5.29604659e-03] [ 2.86833869e-03 -1.91543433e-02 1.20029137e-02] [-2.86833869e-03 1.91543433e-02 -1.20029137e-02] [-2.87334183e-03 -7.85310374e-02 5.29604657e-03] [ 2.87334182e-03 7.85310374e-02 -5.29604648e-03] [ 2.86833868e-03 -1.91543433e-02 1.20029137e-02] [ 1.25617023e-05 -4.37093140e-02 2.65562458e-02] [-1.25616819e-05 4.37093139e-02 -2.65562458e-02] [ 1.25616856e-05 -4.37093140e-02 2.65562458e-02] [-1.25617017e-05 4.37093140e-02 -2.65562458e-02] [-6.44990800e-06 -2.27053328e-02 -3.84735245e-02] [ 6.44992373e-06 2.27053328e-02 3.84735245e-02] [-6.44992291e-06 -2.27053328e-02 -3.84735245e-02] [ 6.44990634e-06 2.27053327e-02 3.84735245e-02]] Final stress: [-1.81433440e-03 -2.02603233e-03 -1.83159968e-03 -9.48340593e-03 -5.21309041e-05 -3.28455258e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.92083381e-03 7.85024044e-02 5.28689592e-03] [ 2.91576480e-03 -1.91493336e-02 -1.20065250e-02] [-2.91576481e-03 1.91493336e-02 1.20065249e-02] [-2.92083381e-03 -7.85024044e-02 -5.28689590e-03] [ 2.92083380e-03 7.85024044e-02 5.28689595e-03] [ 2.91576480e-03 -1.91493336e-02 -1.20065249e-02] [-2.91576480e-03 1.91493336e-02 1.20065249e-02] [-2.92083381e-03 -7.85024044e-02 -5.28689598e-03] [ 1.27373845e-05 -4.36796311e-02 -2.65491444e-02] [-1.27373803e-05 4.36796311e-02 2.65491444e-02] [ 1.27373914e-05 -4.36796311e-02 -2.65491444e-02] [-1.27373517e-05 4.36796311e-02 2.65491444e-02] [-6.50581844e-06 -2.26953143e-02 3.84596366e-02] [ 6.50578498e-06 2.26953143e-02 -3.84596366e-02] [-6.50581191e-06 -2.26953143e-02 3.84596366e-02] [ 6.50581031e-06 2.26953143e-02 -3.84596366e-02]] Final stress: [-1.81372048e-03 -2.02508963e-03 -1.83057272e-03 9.47994020e-03 5.29762644e-05 -3.31105020e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.95990883e-03 7.84788381e-02 5.27959720e-03] [-2.95478566e-03 -1.91450188e-02 -1.20092475e-02] [ 2.95478566e-03 1.91450188e-02 1.20092476e-02] [ 2.95990882e-03 -7.84788380e-02 -5.27959731e-03] [-2.95990882e-03 7.84788381e-02 5.27959729e-03] [-2.95478566e-03 -1.91450188e-02 -1.20092476e-02] [ 2.95478566e-03 1.91450188e-02 1.20092475e-02] [ 2.95990882e-03 -7.84788380e-02 -5.27959726e-03] [-1.28817836e-05 -4.36552245e-02 -2.65432215e-02] [ 1.28818229e-05 4.36552245e-02 2.65432215e-02] [-1.28817920e-05 -4.36552245e-02 -2.65432215e-02] [ 1.28818153e-05 4.36552245e-02 2.65432215e-02] [ 6.55172843e-06 -2.26876898e-02 3.84482033e-02] [-6.55174814e-06 2.26876898e-02 -3.84482033e-02] [ 6.55171979e-06 -2.26876898e-02 3.84482033e-02] [-6.55175529e-06 2.26876898e-02 -3.84482033e-02]] Final stress: [-1.81322355e-03 -2.02431238e-03 -1.82973132e-03 9.47709680e-03 -5.36718018e-05 3.33283294e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-0.02468669 0.02821026 -0.02021665] [ 0.02621882 -0.13450034 0.00096091] [-0.02621882 0.13450034 -0.00096091] [ 0.02468669 -0.02821026 0.02021665] [-0.02468669 0.02821026 -0.02021665] [ 0.02621882 -0.13450034 0.00096091] [-0.02621882 0.13450034 -0.00096091] [ 0.02468669 -0.02821026 0.02021665] [-0.02432854 -0.08171588 0.04209057] [ 0.02432854 0.08171588 -0.04209057] [-0.02432854 -0.08171588 0.04209057] [ 0.02432854 0.08171588 -0.04209057] [-0.0096539 -0.03954519 -0.06716982] [ 0.0096539 0.03954519 0.06716982] [-0.0096539 -0.03954519 -0.06716982] [ 0.0096539 0.03954519 0.06716982]] Final stress: [-3.10092098e-03 -3.43871324e-03 -3.17400318e-03 -1.64729204e-02 -3.25904429e-05 -8.39164942e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 0.02428418 0.02833554 -0.02025012] [-0.02582444 -0.13498119 0.00096969] [ 0.02582444 0.13498119 -0.00096969] [-0.02428418 -0.02833554 0.02025012] [ 0.02428418 0.02833554 -0.02025012] [-0.02582444 -0.13498119 0.00096969] [ 0.02582444 0.13498119 -0.00096969] [-0.02428418 -0.02833554 0.02025012] [ 0.02423213 -0.08209446 0.04219925] [-0.02423213 0.08209446 -0.04219925] [ 0.02423213 -0.08209446 0.04219925] [-0.02423213 0.08209446 -0.04219925] [ 0.00979138 -0.03967874 -0.06740343] [-0.00979138 0.03967874 0.06740343] [ 0.00979138 -0.03967874 -0.06740343] [-0.00979138 0.03967874 0.06740343]] Final stress: [-3.11202558e-03 -3.45260953e-03 -3.18810626e-03 -1.65273525e-02 3.27411366e-05 8.46057571e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-0.02573974 0.13508372 0.00097234] [ 0.02419775 -0.02836202 -0.02025642] [-0.02419775 0.02836202 0.02025642] [ 0.02573974 -0.13508372 -0.00097234] [-0.02573974 0.13508372 0.00097234] [ 0.02419775 -0.02836202 -0.02025642] [-0.02419775 0.02836202 0.02025642] [ 0.02573974 -0.13508372 -0.00097234] [-0.02421132 -0.08217497 -0.04222227] [ 0.02421132 0.08217497 0.04222227] [-0.02421132 -0.08217497 -0.04222227] [ 0.02421132 0.08217497 0.04222227] [-0.00982088 -0.03970835 0.06745324] [ 0.00982088 0.03970835 -0.06745324] [-0.00982088 -0.03970835 0.06745324] [ 0.00982088 0.03970835 -0.06745324]] Final stress: [-3.11440266e-03 -3.45557088e-03 -3.19112594e-03 1.65389666e-02 3.27732751e-05 -8.47534111e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 0.02609029 0.13465693 0.00096378] [-0.02455552 -0.02825104 -0.02022758] [ 0.02455552 0.02825104 0.02022758] [-0.02609029 -0.13465693 -0.00096378] [ 0.02609029 0.13465693 0.00096378] [-0.02455552 -0.02825104 -0.02022758] [ 0.02455552 0.02825104 0.02022758] [-0.02609029 -0.13465693 -0.00096378] [ 0.0242971 -0.08183915 -0.04212596] [-0.0242971 0.08183915 0.04212596] [ 0.0242971 -0.08183915 -0.04212596] [-0.0242971 0.08183915 0.04212596] [ 0.0096987 -0.03958881 0.06724589] [-0.0096987 0.03958881 -0.06724589] [ 0.0096987 -0.03958881 0.06724589] [-0.0096987 0.03958881 -0.06724589]] Final stress: [-3.10454073e-03 -3.44323802e-03 -3.17859503e-03 1.64906466e-02 -3.26394795e-05 8.41410795e-04] Minimization converged after 5 steps. Minimization converged after 5 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 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.49250172e-10 2.07599049e-03 4.14409179e-04] [ 1.84638069e-10 -9.83867995e-03 3.89984198e-04] [ 2.12815799e-10 9.83867996e-03 -3.89984220e-04] [-1.69849421e-11 -2.07599048e-03 -4.14409161e-04] [ 2.06460322e-11 2.07599049e-03 4.14408892e-04] [-2.18888806e-10 -9.83867996e-03 3.89984178e-04] [-1.80984858e-10 9.83867996e-03 -3.89983926e-04] [-3.55191923e-10 -2.07599049e-03 -4.14409128e-04] [ 1.39168454e-10 -3.33688893e-04 4.12129528e-03] [ 6.82396119e-11 3.33688794e-04 -4.12129527e-03] [-1.10811162e-10 -3.33688933e-04 4.12129527e-03] [-5.16647068e-11 3.33688951e-04 -4.12129528e-03] [ 1.06551324e-10 3.29966387e-04 -4.80064023e-03] [ 2.58931778e-11 -3.29966326e-04 4.80064023e-03] [-1.04238097e-10 3.29966445e-04 -4.80064023e-03] [-6.84452026e-11 -3.29966439e-04 4.80064023e-03]] Final stress: [ 3.06505604e-05 -1.61560927e-04 -1.12903449e-04 -1.19682074e-03 1.50493049e-12 -1.65068044e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.49796858e-10 9.84000504e-03 3.91650319e-04] [ 2.18290111e-10 -2.07808571e-03 4.15697961e-04] [ 1.45881441e-10 2.07808575e-03 -4.15697553e-04] [-7.73165117e-11 -9.84000500e-03 -3.91650713e-04] [ 7.47551012e-11 9.84000502e-03 3.91650408e-04] [-1.46899564e-10 -2.07808573e-03 4.15697542e-04] [-2.20675356e-10 2.07808574e-03 -4.15697637e-04] [-1.50944422e-10 -9.84000503e-03 -3.91650295e-04] [ 3.83179742e-11 -3.30212134e-04 -4.12174550e-03] [ 3.48772140e-11 3.30211850e-04 4.12174550e-03] [ 3.47892732e-12 -3.30212177e-04 -4.12174551e-03] [-1.49366036e-11 3.30212004e-04 4.12174550e-03] [-1.92628335e-12 3.31151322e-04 4.80086256e-03] [ 3.77026137e-12 -3.31151106e-04 -4.80086257e-03] [-2.46072873e-11 3.31151375e-04 4.80086256e-03] [-3.18613806e-11 -3.31151221e-04 -4.80086257e-03]] Final stress: [ 3.06639696e-05 -1.61580561e-04 -1.12922276e-04 1.19681561e-03 1.33164347e-12 -1.39216326e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.11819597e-10 2.67365408e-03 4.71356876e-04] [ 2.81438592e-11 -1.00112129e-02 9.43083202e-04] [-1.26500590e-10 1.00112129e-02 -9.43083450e-04] [-1.06960230e-10 -2.67365408e-03 -4.71356625e-04] [ 1.09084326e-10 2.67365408e-03 4.71356723e-04] [ 1.31618642e-10 -1.00112129e-02 9.43083247e-04] [-2.59510753e-11 1.00112129e-02 -9.43083310e-04] [ 1.16974669e-10 -2.67365408e-03 -4.71356682e-04] [-9.70007787e-11 6.31989829e-04 4.35297745e-03] [-4.40548067e-11 -6.31989921e-04 -4.35297745e-03] [-2.16536565e-12 6.31989858e-04 4.35297746e-03] [ 1.42951718e-11 -6.31989849e-04 -4.35297745e-03] [-9.69823180e-13 4.84521561e-04 -4.95302074e-03] [-4.64717945e-12 -4.84521483e-04 4.95302074e-03] [ 7.80373515e-11 4.84521544e-04 -4.95302073e-03] [ 4.19079851e-11 -4.84521540e-04 4.95302074e-03]] Final stress: [ 4.22071264e-06 -1.68541845e-04 -1.21167604e-04 -1.19992524e-03 6.65557484e-13 3.52187953e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-9.53182286e-11 1.00129023e-02 9.43370900e-04] [-1.89894062e-10 -2.67652980e-03 4.71085080e-04] [-5.26346031e-11 2.67652980e-03 -4.71085310e-04] [-1.23411288e-10 -1.00129023e-02 -9.43370641e-04] [ 1.26013232e-10 1.00129023e-02 9.43370906e-04] [ 5.64161226e-11 -2.67652978e-03 4.71085435e-04] [ 1.92531500e-10 2.67652981e-03 -4.71085324e-04] [ 9.91804692e-11 -1.00129023e-02 -9.43371006e-04] [-6.77784153e-11 6.34917206e-04 -4.35369541e-03] [-7.97734353e-11 -6.34917274e-04 4.35369540e-03] [ 3.03591461e-11 6.34917291e-04 -4.35369541e-03] [ 3.96606185e-12 -6.34917436e-04 4.35369540e-03] [-1.74020407e-11 4.87758785e-04 4.95337790e-03] [-4.99947211e-12 -4.87758716e-04 -4.95337791e-03] [ 6.15541444e-11 4.87758704e-04 4.95337790e-03] [ 6.11800987e-11 -4.87758589e-04 -4.95337790e-03]] Final stress: [ 4.24303735e-06 -1.68576995e-04 -1.21178172e-04 1.19991962e-03 -4.86203221e-13 -2.16971566e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.21285859e-10 2.61453470e-03 7.18578852e-04] [-1.62472807e-10 -9.91605921e-03 7.91043144e-04] [-2.82215080e-10 9.91605920e-03 -7.91043458e-04] [-1.18379718e-10 -2.61453471e-03 -7.18578526e-04] [ 1.14902298e-10 2.61453471e-03 7.18578953e-04] [ 2.79361588e-10 -9.91605919e-03 7.91043691e-04] [ 1.58906884e-10 9.91605921e-03 -7.91043554e-04] [ 1.18514809e-10 -2.61453469e-03 -7.18579072e-04] [-5.53127438e-11 1.57232986e-03 4.65360894e-03] [-4.33436420e-11 -1.57232986e-03 -4.65360895e-03] [ 1.01043847e-10 1.57233004e-03 4.65360894e-03] [ 1.06265808e-10 -1.57233008e-03 -4.65360895e-03] [-8.80957746e-11 1.41470146e-03 -5.10959030e-03] [-8.44987386e-11 -1.41470145e-03 5.10959030e-03] [ 3.94251276e-11 1.41470130e-03 -5.10959031e-03] [ 3.71765995e-11 -1.41470127e-03 5.10959030e-03]] Final stress: [ 4.78588770e-05 -1.41751101e-04 -9.89728813e-05 -1.22197973e-03 5.19626145e-13 1.12967992e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.20464201e-10 9.91830396e-03 7.91908649e-04] [-2.32665954e-10 -2.61859377e-03 7.18498945e-04] [-5.45439302e-11 2.61859382e-03 -7.18498157e-04] [-1.10258323e-10 -9.91830392e-03 -7.91909446e-04] [ 1.02897920e-10 9.91830394e-03 7.91909015e-04] [ 5.30276678e-11 -2.61859380e-03 7.18498409e-04] [ 2.25331324e-10 2.61859380e-03 -7.18498505e-04] [ 1.18958184e-10 -9.91830394e-03 -7.91908894e-04] [-3.34484298e-11 1.57659313e-03 -4.65458445e-03] [-1.90587875e-11 -1.57659329e-03 4.65458446e-03] [ 1.33516381e-10 1.57659307e-03 -4.65458446e-03] [ 7.20184225e-11 -1.57659325e-03 4.65458445e-03] [-1.08965231e-10 1.41821416e-03 5.11006053e-03] [-6.51167218e-11 -1.41821403e-03 -5.11006053e-03] [ 3.13221285e-11 1.41821421e-03 5.11006053e-03] [ 7.43970169e-12 -1.41821407e-03 -5.11006054e-03]] Final stress: [ 4.78731626e-05 -1.41799155e-04 -9.89930720e-05 1.22195890e-03 -8.38066925e-13 -2.52999831e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.72227230e-11 7.14199532e-03 9.17536340e-05] [-8.24827635e-11 -1.62121938e-02 1.82648739e-03] [ 4.16736050e-11 1.62121938e-02 -1.82648710e-03] [ 3.54258567e-11 -7.14199531e-03 -9.17539145e-05] [-3.78366676e-11 7.14199531e-03 9.17538130e-05] [-4.68624683e-11 -1.62121938e-02 1.82648722e-03] [ 7.99951088e-11 1.62121938e-02 -1.82648729e-03] [-4.23450788e-11 -7.14199532e-03 -9.17537603e-05] [ 6.51981268e-11 6.60650804e-04 5.77024878e-03] [ 3.34882478e-11 -6.60650775e-04 -5.77024878e-03] [ 1.55590803e-11 6.60650831e-04 5.77024878e-03] [ 2.14293700e-11 -6.60650817e-04 -5.77024877e-03] [-9.54487184e-12 1.29704648e-03 -6.61293584e-03] [-2.33169499e-11 -1.29704649e-03 6.61293583e-03] [-5.36746181e-11 1.29704644e-03 -6.61293583e-03] [-3.39327930e-11 -1.29704646e-03 6.61293584e-03]] Final stress: [-1.07943049e-04 -3.46099120e-04 -2.58765488e-04 -1.57243860e-03 -5.43553580e-13 -1.56079509e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.17063485e-11 1.62113945e-02 1.82771965e-03] [ 2.23966348e-10 -7.14148025e-03 9.31641847e-05] [ 1.32108645e-10 7.14148024e-03 -9.31640390e-05] [ 6.04193345e-12 -1.62113945e-02 -1.82771980e-03] [-1.17358353e-11 1.62113945e-02 1.82771976e-03] [-1.24297442e-10 -7.14148024e-03 9.31644266e-05] [-2.29626359e-10 7.14148024e-03 -9.31641383e-05] [-2.39825601e-11 -1.62113945e-02 -1.82772004e-03] [-6.55159657e-11 6.62058207e-04 -5.77004819e-03] [ 1.03483604e-10 -6.62058149e-04 5.77004819e-03] [-3.41248449e-11 6.62058294e-04 -5.77004820e-03] [-3.95230129e-11 -6.62058284e-04 5.77004819e-03] [ 2.38576862e-11 1.29604429e-03 6.61269124e-03] [ 3.42677134e-11 -1.29604434e-03 -6.61269124e-03] [ 5.95570185e-11 1.29604421e-03 6.61269124e-03] [-8.61869128e-11 -1.29604423e-03 -6.61269124e-03]] Final stress: [-1.07924694e-04 -3.46069118e-04 -2.58754661e-04 1.57238218e-03 5.23383257e-13 7.40746577e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.76461590e-10 2.31412395e-03 6.93886608e-04] [-1.04863913e-11 -9.84472832e-03 6.95150684e-04] [-1.68448804e-10 9.84472829e-03 -6.95150981e-04] [-1.45308751e-10 -2.31412398e-03 -6.93886337e-04] [ 1.48456030e-10 2.31412397e-03 6.93886291e-04] [ 1.69847908e-10 -9.84472830e-03 6.95150945e-04] [ 1.36468176e-11 9.84472831e-03 -6.95150651e-04] [ 1.77879835e-10 -2.31412396e-03 -6.93886579e-04] [-1.45759397e-10 9.73034160e-04 4.44665709e-03] [-1.28330596e-10 -9.73034035e-04 -4.44665708e-03] [ 7.55337672e-11 9.73034086e-04 4.44665709e-03] [ 1.15839748e-10 -9.73034039e-04 -4.44665708e-03] [-7.03710900e-11 9.46431108e-04 -4.99507543e-03] [-9.36794338e-11 -9.46431205e-04 4.99507544e-03] [ 1.20264590e-10 9.46431171e-04 -4.99507543e-03] [ 1.17373231e-10 -9.46431203e-04 4.99507543e-03]] Final stress: [ 4.01539112e-05 -1.50831370e-04 -9.17866240e-05 -1.21579868e-03 5.63209567e-13 3.10505344e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.11009437e-10 9.84567656e-03 6.95716436e-04] [-1.89386350e-10 -2.31575791e-03 6.94106857e-04] [-1.63668851e-10 2.31575790e-03 -6.94107052e-04] [-1.21976916e-10 -9.84567657e-03 -6.95716211e-04] [ 1.24801241e-10 9.84567655e-03 6.95716267e-04] [ 1.60140062e-10 -2.31575792e-03 6.94106643e-04] [ 1.92241745e-10 2.31575790e-03 -6.94106896e-04] [ 1.07530894e-10 -9.84567658e-03 -6.95716010e-04] [-4.45233678e-11 9.75011036e-04 -4.44704337e-03] [-1.32385299e-10 -9.75010932e-04 4.44704336e-03] [ 9.50448892e-11 9.75010938e-04 -4.44704337e-03] [ 9.17675419e-11 -9.75010797e-04 4.44704337e-03] [-7.85834839e-11 9.47812990e-04 4.99526411e-03] [-7.85480761e-11 -9.47813066e-04 -4.99526413e-03] [ 3.64045687e-11 9.47813083e-04 4.99526412e-03] [ 1.12142859e-10 -9.47813181e-04 -4.99526412e-03]] Final stress: [ 4.01626689e-05 -1.50849676e-04 -9.17959605e-05 1.21579259e-03 -6.58451968e-14 -4.15010378e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.64180018e-11 7.28688978e-03 6.27138192e-05] [-1.32740512e-10 -1.62831694e-02 1.82253155e-03] [ 1.54298887e-10 1.62831694e-02 -1.82253139e-03] [-8.73267170e-11 -7.28688979e-03 -6.27139803e-05] [ 8.24313196e-11 7.28688978e-03 6.27138392e-05] [-1.51560722e-10 -1.62831694e-02 1.82253149e-03] [ 1.27708512e-10 1.62831694e-02 -1.82253140e-03] [-3.37190068e-11 -7.28688979e-03 -6.27139161e-05] [-4.59670526e-11 8.48765508e-04 5.94821593e-03] [ 1.29583106e-11 -8.48765381e-04 -5.94821593e-03] [ 5.73189950e-11 8.48765436e-04 5.94821593e-03] [ 1.55736613e-11 -8.48765387e-04 -5.94821593e-03] [-3.73728856e-11 1.64778744e-03 -6.73383396e-03] [-2.78442219e-11 -1.64778754e-03 6.73383397e-03] [ 5.50205347e-11 1.64778750e-03 -6.73383397e-03] [-2.51892604e-11 -1.64778753e-03 6.73383396e-03]] Final stress: [-1.03123451e-04 -3.39330918e-04 -2.68615285e-04 -1.58814448e-03 -7.24243497e-13 -3.78839592e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.02569014e-11 1.62790379e-02 1.82249280e-03] [-7.19709600e-11 -7.28452167e-03 6.36431234e-05] [-7.04131789e-11 7.28452170e-03 -6.36422957e-05] [-8.04695746e-11 -1.62790379e-02 -1.82249362e-03] [ 7.60519295e-11 1.62790379e-02 1.82249347e-03] [ 7.38078223e-11 -7.28452169e-03 6.36428078e-05] [ 6.75365071e-11 7.28452168e-03 -6.36429777e-05] [ 8.37133427e-11 -1.62790379e-02 -1.82249331e-03] [-7.10197407e-11 8.51401565e-04 -5.94715486e-03] [-5.33236476e-12 -8.51401589e-04 5.94715486e-03] [ 6.44718990e-11 8.51401628e-04 -5.94715486e-03] [ 2.86454601e-11 -8.51401746e-04 5.94715486e-03] [-5.51773761e-11 1.64791199e-03 6.73247281e-03] [-2.27525995e-11 -1.64791196e-03 -6.73247281e-03] [ 6.06735430e-11 1.64791192e-03 6.73247281e-03] [ 2.48540777e-12 -1.64791184e-03 -6.73247281e-03]] Final stress: [-1.03018043e-04 -3.39197321e-04 -2.68502514e-04 1.58782085e-03 -5.91789636e-15 1.32025444e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 8.11486620e-12 4.11929726e-03 -3.35836495e-03] [-5.09000385e-11 -1.97356905e-02 4.18566472e-03] [ 1.15433752e-11 1.97356905e-02 -4.18566469e-03] [ 6.02521939e-12 -4.11929725e-03 3.35836491e-03] [-5.62105321e-12 4.11929726e-03 -3.35836494e-03] [-1.47454869e-11 -1.97356905e-02 4.18566475e-03] [ 5.13381829e-11 1.97356905e-02 -4.18566470e-03] [-1.09443574e-11 -4.11929725e-03 3.35836489e-03] [ 1.33042978e-11 -9.13675215e-03 7.59506596e-03] [ 1.11888936e-11 9.13675214e-03 -7.59506596e-03] [-1.23167232e-12 -9.13675214e-03 7.59506597e-03] [ 2.93616529e-11 9.13675213e-03 -7.59506596e-03] [ 3.56353055e-12 -7.52098213e-03 -1.03736135e-02] [-2.82522346e-11 7.52098213e-03 1.03736135e-02] [-9.57039123e-12 -7.52098214e-03 -1.03736135e-02] [-1.31825547e-11 7.52098213e-03 1.03736135e-02]] Final stress: [-3.55156189e-04 -4.63298428e-04 -4.09132631e-04 -2.54869484e-03 -2.68779557e-13 1.13706549e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 9.62955052e-12 1.97356979e-02 4.18602778e-03] [ 4.93675628e-11 -4.11926237e-03 -3.35799921e-03] [ 6.90781736e-11 4.11926238e-03 3.35799924e-03] [ 5.22596723e-11 -1.97356979e-02 -4.18602783e-03] [-5.19254390e-11 1.97356979e-02 4.18602780e-03] [-6.94240303e-11 -4.11926237e-03 -3.35799919e-03] [-4.92773881e-11 4.11926238e-03 3.35799923e-03] [-9.80863567e-12 -1.97356979e-02 -4.18602785e-03] [ 2.33038679e-11 -9.13637010e-03 -7.59505579e-03] [ 2.26898613e-11 9.13637008e-03 7.59505580e-03] [-2.48637593e-11 -9.13637011e-03 -7.59505579e-03] [-1.89580461e-11 9.13637006e-03 7.59505580e-03] [ 1.99002819e-11 -7.52140962e-03 1.03736156e-02] [ 1.62654818e-11 7.52140963e-03 -1.03736156e-02] [-2.02166078e-11 -7.52140962e-03 1.03736156e-02] [-1.80107298e-11 7.52140964e-03 -1.03736156e-02]] Final stress: [-3.55159383e-04 -4.63295451e-04 -4.09134285e-04 2.54869749e-03 -2.77150199e-13 2.72405321e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.33356209e-03 6.98865966e-03 1.17361955e-04] [ 7.33843755e-03 -2.15184750e-02 2.62088715e-03] [-7.33843752e-03 2.15184750e-02 -2.62088718e-03] [-7.33356212e-03 -6.98865967e-03 -1.17361916e-04] [ 7.33356212e-03 6.98865967e-03 1.17361969e-04] [ 7.33843752e-03 -2.15184750e-02 2.62088721e-03] [-7.33843755e-03 2.15184750e-02 -2.62088720e-03] [-7.33356209e-03 -6.98865966e-03 -1.17361974e-04] [-6.54244300e-06 5.83744402e-03 1.00070989e-02] [ 6.54243504e-06 -5.83744401e-03 -1.00070989e-02] [-6.54244026e-06 5.83744402e-03 1.00070989e-02] [ 6.54244345e-06 -5.83744405e-03 -1.00070989e-02] [ 2.02926426e-06 3.03851200e-03 -1.02055176e-02] [-2.02926713e-06 -3.03851200e-03 1.02055176e-02] [ 2.02926690e-06 3.03851199e-03 -1.02055176e-02] [-2.02925972e-06 -3.03851198e-03 1.02055176e-02]] Final stress: [-1.13364820e-04 -3.52531509e-04 -2.50030370e-04 -2.54999753e-03 1.31169763e-04 1.38909938e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.33447383e-03 6.98871678e-03 1.16967486e-04] [-7.33935000e-03 -2.15187195e-02 2.62050941e-03] [ 7.33934997e-03 2.15187195e-02 -2.62050955e-03] [ 7.33447385e-03 -6.98871678e-03 -1.16967338e-04] [-7.33447385e-03 6.98871679e-03 1.16967391e-04] [-7.33934997e-03 -2.15187195e-02 2.62050958e-03] [ 7.33935000e-03 2.15187195e-02 -2.62050945e-03] [ 7.33447383e-03 -6.98871678e-03 -1.16967500e-04] [ 6.54338079e-06 5.83653777e-03 1.00072284e-02] [-6.54340418e-06 -5.83653782e-03 -1.00072284e-02] [ 6.54339723e-06 5.83653781e-03 1.00072284e-02] [-6.54342782e-06 -5.83653783e-03 -1.00072284e-02] [-2.02956794e-06 3.03942406e-03 -1.02056511e-02] [ 2.02959554e-06 -3.03942403e-03 1.02056511e-02] [-2.02955349e-06 3.03942404e-03 -1.02056511e-02] [ 2.02957393e-06 -3.03942402e-03 1.02056511e-02]] Final stress: [-1.13355171e-04 -3.52545654e-04 -2.50038401e-04 -2.55003069e-03 -1.31185993e-04 -1.38927708e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.33874474e-03 2.15166974e-02 2.62134569e-03] [ 7.33386920e-03 -6.98695335e-03 1.18100898e-04] [-7.33386919e-03 6.98695335e-03 -1.18100942e-04] [-7.33874474e-03 -2.15166974e-02 -2.62134565e-03] [ 7.33874475e-03 2.15166974e-02 2.62134567e-03] [ 7.33386919e-03 -6.98695334e-03 1.18100936e-04] [-7.33386920e-03 6.98695335e-03 -1.18100923e-04] [-7.33874474e-03 -2.15166974e-02 -2.62134570e-03] [ 6.54242836e-06 5.83647033e-03 -1.00063709e-02] [-6.54244053e-06 -5.83647036e-03 1.00063709e-02] [ 6.54241136e-06 5.83647035e-03 -1.00063709e-02] [-6.54242590e-06 -5.83647036e-03 1.00063709e-02] [-2.02922620e-06 3.03618414e-03 1.02049251e-02] [ 2.02923874e-06 -3.03618411e-03 -1.02049251e-02] [-2.02924144e-06 3.03618412e-03 1.02049251e-02] [ 2.02925191e-06 -3.03618412e-03 -1.02049251e-02]] Final stress: [-1.13366039e-04 -3.52492567e-04 -2.50015352e-04 2.54989406e-03 1.31175225e-04 -1.38907601e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.33741044e-03 2.15196968e-02 2.62175143e-03] [-7.33253568e-03 -6.99000477e-03 1.17996476e-04] [ 7.33253568e-03 6.99000476e-03 -1.17996601e-04] [ 7.33741044e-03 -2.15196969e-02 -2.62175130e-03] [-7.33741044e-03 2.15196969e-02 2.62175131e-03] [-7.33253568e-03 -6.99000476e-03 1.17996629e-04] [ 7.33253568e-03 6.99000477e-03 -1.17996491e-04] [ 7.33741044e-03 -2.15196968e-02 -2.62175146e-03] [-6.54161987e-06 5.83881980e-03 -1.00076071e-02] [ 6.54160471e-06 -5.83881978e-03 1.00076071e-02] [-6.54161068e-06 5.83881981e-03 -1.00076071e-02] [ 6.54161584e-06 -5.83881983e-03 1.00076071e-02] [ 2.02899787e-06 3.03990991e-03 1.02059032e-02] [-2.02900247e-06 -3.03990993e-03 -1.02059032e-02] [ 2.02900646e-06 3.03990991e-03 1.02059032e-02] [-2.02899259e-06 -3.03990990e-03 -1.02059032e-02]] Final stress: [-1.13350923e-04 -3.52560059e-04 -2.50054522e-04 2.55005514e-03 -1.31151497e-04 1.38896448e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.12636661 0.04362084 0.00310562] [ 0.12750548 -0.11027537 0.00723838] [-0.12750548 0.11027537 -0.00723838] [ 0.12636661 -0.04362084 -0.00310562] [-0.12636661 0.04362084 0.00310562] [ 0.12750548 -0.11027537 0.00723838] [-0.12750548 0.11027537 -0.00723838] [ 0.12636661 -0.04362084 -0.00310562] [-0.05626641 0.03783772 0.04828003] [ 0.05626641 -0.03783772 -0.04828003] [-0.05626641 0.03783772 0.04828003] [ 0.05626641 -0.03783772 -0.04828003] [ 0.02043541 0.02210398 -0.05055957] [-0.02043541 -0.02210398 0.05055957] [ 0.02043541 0.02210398 -0.05055957] [-0.02043541 -0.02210398 0.05055957]] Final stress: [-1.17428644e-03 -1.94027692e-03 -1.38759917e-03 -1.22109177e-02 -2.15559542e-05 5.37668837e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.12636554 0.04362105 0.00310782] [-0.1275044 -0.11027523 0.00724064] [ 0.1275044 0.11027523 -0.00724064] [-0.12636555 -0.04362105 -0.00310783] [ 0.12636555 0.04362105 0.00310782] [-0.1275044 -0.11027523 0.00724064] [ 0.1275044 0.11027523 -0.00724064] [-0.12636554 -0.04362105 -0.00310783] [ 0.05626578 0.03784084 0.04827997] [-0.05626578 -0.03784084 -0.04827997] [ 0.05626578 0.03784084 0.04827997] [-0.05626578 -0.03784084 -0.04827997] [-0.02043503 0.02210167 -0.05055945] [ 0.02043503 -0.02210167 0.05055945] [-0.02043503 0.02210167 -0.05055945] [ 0.02043503 -0.02210167 0.05055945]] Final stress: [-1.17430011e-03 -1.94025253e-03 -1.38760046e-03 -1.22108786e-02 2.15557772e-05 -5.37658343e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.12746687 0.1102664 0.00723901] [ 0.12632839 -0.0436196 0.00310486] [-0.12632839 0.0436196 -0.00310486] [ 0.12746687 -0.1102664 -0.00723901] [-0.12746687 0.1102664 0.00723901] [ 0.12632839 -0.0436196 0.00310486] [-0.12632839 0.0436196 -0.00310486] [ 0.12746687 -0.1102664 -0.00723901] [-0.05625065 0.03783834 -0.04827632] [ 0.05625065 -0.03783834 0.04827632] [-0.05625065 0.03783834 -0.04827632] [ 0.05625065 -0.03783834 0.04827632] [ 0.02042777 0.02210401 0.05055487] [-0.02042777 -0.02210401 -0.05055487] [ 0.02042777 0.02210401 0.05055487] [-0.02042777 -0.02210401 -0.05055487]] Final stress: [-1.17415167e-03 -1.94011055e-03 -1.38746189e-03 1.22097341e-02 2.15494285e-05 5.37408478e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.12749773 0.11028173 0.00723943] [-0.1263589 -0.04362915 0.00310563] [ 0.1263589 0.04362915 -0.00310563] [-0.12749773 -0.11028173 -0.00723943] [ 0.12749773 0.11028173 0.00723943] [-0.1263589 -0.04362915 0.00310563] [ 0.1263589 0.04362915 -0.00310563] [-0.12749773 -0.11028173 -0.00723943] [ 0.05626241 0.03785237 -0.04828247] [-0.05626241 -0.03785236 0.04828247] [ 0.05626241 0.03785237 -0.04828247] [-0.05626241 -0.03785236 0.04828247] [-0.02043274 0.02210631 0.05056103] [ 0.02043274 -0.02210632 -0.05056103] [-0.02043273 0.02210631 0.05056103] [ 0.02043274 -0.02210632 -0.05056103]] Final stress: [-1.17438406e-03 -1.94032818e-03 -1.38757901e-03 1.22110705e-02 -2.15557854e-05 -5.37582691e-04] Minimization converged after 5 steps. Minimization converged after 5 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 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.32880571e-10 -5.32058064e-04 1.05797584e-03] [ 1.31340550e-10 -8.42088855e-03 -4.62624772e-04] [ 5.55969360e-11 8.42088850e-03 4.62623853e-04] [-1.97169451e-10 5.32058010e-04 -1.05797495e-03] [ 1.86394494e-10 -5.32058002e-04 1.05797431e-03] [-2.61988838e-11 -8.42088850e-03 -4.62623791e-04] [-1.42134881e-10 8.42088858e-03 4.62625389e-04] [ 2.61952062e-10 5.32058074e-04 -1.05797590e-03] [-4.08369945e-10 -8.47220917e-05 3.92623460e-03] [ 7.41389502e-11 8.47219382e-05 -3.92623459e-03] [ 2.18707551e-11 -8.47221450e-05 3.92623459e-03] [-1.90539212e-11 8.47221062e-05 -3.92623459e-03] [-2.33246144e-11 2.89560439e-04 -4.69314771e-03] [ 2.28697470e-11 -2.89560329e-04 4.69314772e-03] [ 3.58054913e-10 2.89560500e-04 -4.69314770e-03] [-6.30858967e-11 -2.89560457e-04 4.69314770e-03]] Final stress: [ 7.93437169e-05 -9.49399083e-05 -5.74637880e-05 -1.24874293e-03 1.78363994e-13 1.99544717e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.66335398e-11 8.42449247e-03 -4.61439423e-04] [ 1.38105879e-10 5.27150467e-04 1.05821816e-03] [ 3.19855778e-10 -5.27150496e-04 -1.05821783e-03] [-7.00786928e-11 -8.42449250e-03 4.61439111e-04] [ 5.14002356e-11 8.42449250e-03 -4.61438617e-04] [-3.14749009e-10 5.27150515e-04 1.05821879e-03] [-1.56515815e-10 -5.27150480e-04 -1.05821862e-03] [-2.14618781e-11 -8.42449246e-03 4.61438477e-04] [-7.51906350e-12 -8.21379494e-05 -3.92656583e-03] [ 2.43726777e-10 8.21379828e-05 3.92656583e-03] [ 2.74923447e-11 -8.21376468e-05 -3.92656583e-03] [-3.19070243e-11 8.21373507e-05 3.92656582e-03] [-1.87534107e-11 2.92163273e-04 4.69325572e-03] [ 1.66914144e-11 -2.92163198e-04 -4.69325573e-03] [ 1.94320684e-11 2.92162927e-04 4.69325571e-03] [-2.22346350e-10 -2.92162751e-04 -4.69325572e-03]] Final stress: [ 7.93065426e-05 -9.50465712e-05 -5.75436814e-05 1.24869122e-03 -3.80128169e-13 7.70055873e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.14572949e-10 -4.68040601e-05 9.74447172e-04] [ 2.97365024e-10 -8.71144405e-03 -3.18495408e-04] [-6.13597303e-10 8.71144398e-03 3.18493568e-04] [-3.34540352e-10 4.68039831e-05 -9.74445356e-04] [ 3.22622714e-10 -4.68040057e-05 9.74445843e-04] [ 5.89126273e-10 -8.71144397e-03 -3.18493187e-04] [-3.09363009e-10 8.71144405e-03 3.18494946e-04] [ 3.90200697e-10 4.68040702e-05 -9.74447532e-04] [ 5.09892567e-11 -9.62482327e-05 3.95649501e-03] [ 4.85031546e-11 9.62480033e-05 -3.95649501e-03] [ 1.92196632e-10 -9.62478110e-05 3.95649499e-03] [ 3.46359757e-10 9.62479064e-05 -3.95649501e-03] [-1.94902688e-10 3.13391921e-04 -4.70807553e-03] [-2.65465938e-10 -3.13391772e-04 4.70807554e-03] [-8.70458138e-11 3.13391612e-04 -4.70807554e-03] [-1.78758068e-11 -3.13391619e-04 4.70807552e-03]] Final stress: [ 5.29388695e-05 -1.10800844e-04 -7.23774897e-05 -1.24110558e-03 3.69185666e-12 9.46020371e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.67133139e-10 8.70562535e-03 -3.20063700e-04] [-3.28504419e-10 5.49553749e-05 9.74478644e-04] [-6.27904529e-10 -5.49554286e-05 -9.74478653e-04] [-2.50921551e-10 -8.70562540e-03 3.20063725e-04] [ 2.27238887e-10 8.70562540e-03 -3.20064928e-04] [ 6.38836217e-10 5.49553959e-05 9.74478765e-04] [ 3.05017649e-10 -5.49553889e-05 -9.74477413e-04] [ 1.78226182e-10 -8.70562539e-03 3.20063611e-04] [-4.40687945e-10 -1.00915199e-04 -3.95577076e-03] [ 2.08024845e-10 1.00915229e-04 3.95577075e-03] [ 1.31614760e-10 -1.00915530e-04 -3.95577076e-03] [ 3.25586370e-10 1.00915556e-04 3.95577075e-03] [-1.13888912e-10 3.07877638e-04 4.70780176e-03] [-2.70451324e-10 -3.07877653e-04 -4.70780177e-03] [ 3.73858979e-10 3.07877947e-04 4.70780175e-03] [-1.88916113e-10 -3.07877900e-04 -4.70780177e-03]] Final stress: [ 5.29752536e-05 -1.10633738e-04 -7.22620590e-05 1.24118503e-03 1.70443891e-12 3.77807203e-12] 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. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.84051796e-10 -1.58998807e-04 1.03435920e-03] [-7.16801658e-10 -8.62266100e-03 -3.85491599e-04] [ 3.97774830e-10 8.62266094e-03 3.85490366e-04] [-1.13871795e-10 1.58998742e-04 -1.03435790e-03] [ 9.53240888e-11 -1.58998742e-04 1.03435780e-03] [-3.97431673e-10 -8.62266094e-03 -3.85490561e-04] [ 6.98103031e-10 8.62266100e-03 3.85491682e-04] [-5.83678515e-10 1.58998811e-04 -1.03435898e-03] [ 2.78474267e-10 1.82175137e-04 4.01777346e-03] [-9.84683342e-12 -1.82175430e-04 -4.01777348e-03] [ 2.97990602e-10 1.82175154e-04 4.01777348e-03] [-2.41592172e-10 -1.82175255e-04 -4.01777347e-03] [-2.05502896e-10 6.41363261e-04 -4.73944142e-03] [ 1.54355084e-10 -6.41362992e-04 4.73944140e-03] [-1.86451823e-10 6.41363234e-04 -4.73944138e-03] [-5.08990889e-11 -6.41363120e-04 4.73944141e-03]] Final stress: [ 7.42437694e-05 -9.61091891e-05 -6.14763067e-05 -1.24707572e-03 -1.84590952e-12 -4.16342680e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.12853401e-10 8.62151858e-03 -3.86749090e-04] [-1.27182105e-10 1.60606297e-04 1.03339839e-03] [-2.98473412e-11 -1.60606287e-04 -1.03339862e-03] [-4.35778545e-10 -8.62151857e-03 3.86749325e-04] [ 4.14069986e-10 8.62151860e-03 -3.86749071e-04] [ 5.94893045e-11 1.60606324e-04 1.03339874e-03] [ 1.05593334e-10 -1.60606260e-04 -1.03339859e-03] [ 3.42706562e-10 -8.62151854e-03 3.86748999e-04] [-3.05529664e-10 1.79963342e-04 -4.01759901e-03] [ 7.10120938e-12 -1.79963664e-04 4.01759901e-03] [ 2.59868345e-10 1.79963432e-04 -4.01759903e-03] [-9.94848180e-11 -1.79963835e-04 4.01759900e-03] [-2.18512395e-10 6.41163778e-04 4.73936780e-03] [ 9.04864813e-11 -6.41163483e-04 -4.73936781e-03] [ 2.70157464e-10 6.41163664e-04 4.73936779e-03] [-2.02916556e-11 -6.41163376e-04 -4.73936782e-03]] Final stress: [ 7.42539009e-05 -9.60866534e-05 -6.14529105e-05 1.24708852e-03 1.12354644e-13 -2.52333606e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.34062104e-10 -3.76076307e-04 9.94473778e-04] [ 1.46174168e-10 -8.52973653e-03 -3.88821288e-04] [-4.76316378e-10 8.52973644e-03 3.88819877e-04] [-2.89301241e-10 3.76076215e-04 -9.94472360e-04] [ 3.05370728e-10 -3.76076258e-04 9.94473792e-04] [ 4.48370393e-10 -8.52973645e-03 -3.88819153e-04] [-1.30137702e-10 8.52973647e-03 3.88819812e-04] [ 2.06205082e-10 3.76076295e-04 -9.94474562e-04] [ 8.67737631e-11 -3.20855695e-04 3.87986638e-03] [-3.68337289e-10 3.20855981e-04 -3.87986637e-03] [ 1.82508679e-10 -3.20854997e-04 3.87986640e-03] [ 2.95894435e-10 3.20855244e-04 -3.87986636e-03] [-1.74581433e-10 7.47608527e-06 -4.66929954e-03] [-2.39570687e-10 -7.47631732e-06 4.66929954e-03] [-1.00733638e-10 7.47549865e-06 -4.66929953e-03] [ 3.41730215e-10 -7.47568041e-06 4.66929957e-03]] Final stress: [ 5.83929120e-05 -1.10116296e-04 -6.85194383e-05 -1.24271206e-03 3.01228145e-12 -1.35434505e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.84797525e-10 8.52317165e-03 -3.90016472e-04] [-3.96014556e-10 3.84613214e-04 9.94144121e-04] [-5.51651902e-10 -3.84613265e-04 -9.94145412e-04] [-3.18971646e-10 -8.52317170e-03 3.90017795e-04] [ 3.08839024e-10 8.52317171e-03 -3.90017736e-04] [ 5.57613386e-10 3.84613266e-04 9.94144642e-04] [ 3.85968512e-10 -3.84613205e-04 -9.94144068e-04] [ 3.90881263e-10 -8.52317167e-03 3.90017344e-04] [-3.12189505e-10 -3.32413292e-04 -3.87855497e-03] [-1.39404235e-10 3.32413216e-04 3.87855494e-03] [ 2.78203024e-10 -3.32413515e-04 -3.87855499e-03] [ 2.37467637e-10 3.32413329e-04 3.87855491e-03] [-2.42756386e-10 -2.08243450e-06 4.66863771e-03] [-1.89799152e-10 2.08251200e-06 -4.66863774e-03] [ 2.57443544e-10 -2.08223341e-06 4.66863768e-03] [ 1.19172519e-10 2.08241313e-06 -4.66863776e-03]] Final stress: [ 5.83306099e-05 -1.10019969e-04 -6.84956696e-05 1.24270909e-03 3.99641559e-13 6.45789725e-13] 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. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.86347538e-10 -2.73932275e-04 1.04072601e-03] [ 5.48087517e-10 -8.56441683e-03 -4.06909768e-04] [-1.10593295e-10 8.56441676e-03 4.06909637e-04] [ 4.05549634e-10 2.73932206e-04 -1.04072590e-03] [-4.05099935e-10 -2.73932234e-04 1.04072472e-03] [ 8.63886918e-11 -8.56441680e-03 -4.06909700e-04] [-5.47798273e-10 8.56441681e-03 4.06910986e-04] [-2.10466916e-10 2.73932233e-04 -1.04072593e-03] [ 2.80242531e-10 9.02241610e-05 3.98371385e-03] [ 4.14913643e-10 -9.02238988e-05 -3.98371385e-03] [-3.65455758e-10 9.02237110e-05 3.98371383e-03] [ 9.24640729e-11 -9.02234491e-05 -3.98371385e-03] [ 2.90711848e-10 5.04598716e-04 -4.72217255e-03] [-6.03437053e-11 -5.04598922e-04 4.72217256e-03] [-2.71445155e-10 5.04599097e-04 -4.72217257e-03] [-3.33508897e-10 -5.04599285e-04 4.72217254e-03]] Final stress: [ 7.35470234e-05 -9.93073841e-05 -5.39561634e-05 -1.24733202e-03 1.95168924e-12 2.85262080e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.47170951e-10 8.56988959e-03 -4.04420144e-04] [ 1.27502443e-10 2.66308149e-04 1.04175071e-03] [-4.73560796e-10 -2.66308277e-04 -1.04175247e-03] [-3.43214324e-10 -8.56988971e-03 4.04421933e-04] [ 3.07654124e-10 8.56988966e-03 -4.04420210e-04] [ 4.47494807e-10 2.66308253e-04 1.04175257e-03] [-1.62610212e-10 -2.66308203e-04 -1.04175236e-03] [-1.73457174e-10 -8.56988962e-03 4.04420132e-04] [ 2.34789984e-10 9.54537762e-05 -3.98439675e-03] [ 8.37178018e-11 -9.54533223e-05 3.98439672e-03] [ 5.11168243e-10 9.54541149e-05 -3.98439676e-03] [ 2.41879592e-10 -9.54539909e-05 3.98439670e-03] [-4.55180532e-10 5.08814847e-04 4.72243544e-03] [-2.06486785e-10 -5.08815131e-04 -4.72243546e-03] [-2.15205223e-10 5.08814503e-04 4.72243543e-03] [-7.16673140e-11 -5.08814638e-04 -4.72243549e-03]] Final stress: [ 7.35085305e-05 -9.94599583e-05 -5.40728976e-05 1.24726035e-03 4.85405429e-12 -1.81662486e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.32990883e-10 -2.96177432e-04 9.87487062e-04] [-1.18658213e-10 -8.57467949e-03 -3.80047097e-04] [ 3.96688759e-10 8.57467940e-03 3.80046586e-04] [-3.13310562e-10 2.96177329e-04 -9.87486540e-04] [ 3.01561990e-10 -2.96177413e-04 9.87486783e-04] [-4.13125437e-10 -8.57467945e-03 -3.80045611e-04] [ 1.06752046e-10 8.57467942e-03 3.80046813e-04] [-3.49404737e-10 2.96177382e-04 -9.87488051e-04] [ 1.81664560e-10 -2.58825030e-04 3.90114234e-03] [-2.16986307e-10 2.58825524e-04 -3.90114233e-03] [ 4.33944191e-10 -2.58824731e-04 3.90114235e-03] [ 9.35128628e-11 2.58825305e-04 -3.90114232e-03] [-3.52694892e-10 1.07623593e-04 -4.67998105e-03] [-1.28040479e-10 -1.07624002e-04 4.67998105e-03] [-1.15684473e-10 1.07623366e-04 -4.67998103e-03] [ 1.60799315e-10 -1.07623771e-04 4.67998106e-03]] Final stress: [ 5.86939951e-05 -1.06483832e-04 -7.57960022e-05 -1.24255052e-03 5.86908930e-13 -3.58348939e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.63041888e-10 8.56724770e-03 -3.79962337e-04] [ 1.25761265e-10 3.06493271e-04 9.89911772e-04] [ 5.55655945e-10 -3.06493401e-04 -9.89913380e-04] [ 4.53980039e-10 -8.56724783e-03 3.79963964e-04] [-4.20736816e-10 8.56724780e-03 -3.79963933e-04] [-5.72984390e-10 3.06493351e-04 9.89912517e-04] [-9.26568015e-11 -3.06493309e-04 -9.89911741e-04] [-4.80419612e-10 -8.56724775e-03 3.79963254e-04] [ 1.98564962e-11 -2.59368423e-04 -3.90077476e-03] [-1.72192536e-10 2.59368991e-04 3.90077474e-03] [-2.97097126e-10 -2.59368890e-04 -3.90077477e-03] [ 1.66561755e-10 2.59369046e-04 3.90077473e-03] [ 2.64892655e-10 1.01966891e-04 4.67997004e-03] [-1.83018973e-10 -1.01967311e-04 -4.67997006e-03] [ 1.59914850e-11 1.01967262e-04 4.67997002e-03] [ 1.53349890e-10 -1.01967384e-04 -4.67997007e-03]] Final stress: [ 5.88216564e-05 -1.06217686e-04 -7.56108442e-05 1.24270177e-03 -1.87299183e-12 1.06424480e-12] 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. 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: [[-1.54484690e-10 1.52245729e-02 1.78937808e-04] [ 2.97061554e-10 -3.58257600e-02 4.99977314e-03] [ 3.53895385e-10 3.58257600e-02 -4.99977292e-03] [ 2.52007917e-10 -1.52245728e-02 -1.78938026e-04] [-2.49050357e-10 1.52245729e-02 1.78937659e-04] [-3.55502815e-10 -3.58257600e-02 4.99977324e-03] [-2.93846215e-10 3.58257600e-02 -4.99977277e-03] [ 1.52791357e-10 -1.52245729e-02 -1.78938129e-04] [ 7.63441140e-11 2.31616894e-03 1.49254276e-02] [ 6.60542229e-11 -2.31616911e-03 -1.49254276e-02] [-1.15123746e-10 2.31616902e-03 1.49254276e-02] [-6.69938805e-11 -2.31616899e-03 -1.49254276e-02] [ 8.49446789e-11 2.56771202e-03 -1.67092826e-02] [ 6.46827290e-11 -2.56771190e-03 1.67092826e-02] [-7.23428395e-11 2.56771198e-03 -1.67092826e-02] [-4.04378790e-11 -2.56771200e-03 1.67092826e-02]] Final stress: [-4.18344955e-04 -7.61910062e-04 -6.10743889e-04 -3.86654902e-03 -2.06637849e-12 2.78073805e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.12201420e-10 3.57737612e-02 4.98507867e-03] [ 6.62793774e-11 -1.51784490e-02 1.77502215e-04] [ 1.12311976e-10 1.51784491e-02 -1.77502166e-04] [ 2.75064315e-10 -3.57737611e-02 -4.98507873e-03] [-2.90203736e-10 3.57737611e-02 4.98507953e-03] [-9.63264264e-11 -1.51784491e-02 1.77501963e-04] [-8.09588502e-11 1.51784490e-02 -1.77503016e-04] [-1.96315414e-10 -3.57737612e-02 -4.98507846e-03] [-7.24919836e-11 2.29012620e-03 -1.49052698e-02] [ 1.30707888e-10 -2.29012618e-03 1.49052698e-02] [ 6.51846444e-11 2.29012637e-03 -1.49052698e-02] [-1.38564315e-10 -2.29012637e-03 1.49052698e-02] [-6.72635671e-11 2.54851416e-03 1.66903486e-02] [ 1.19104668e-10 -2.54851417e-03 -1.66903486e-02] [ 6.95010325e-11 2.54851401e-03 1.66903486e-02] [-1.08228246e-10 -2.54851401e-03 -1.66903487e-02]] Final stress: [-4.17667544e-04 -7.60633255e-04 -6.09751652e-04 3.86308730e-03 -4.84863680e-13 -7.21709117e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.82867848e-03 1.53543497e-03 -1.49414207e-04] [ 5.83108494e-03 -9.57878434e-03 3.10082042e-04] [-5.83108496e-03 9.57878432e-03 -3.10082072e-04] [-5.82867851e-03 -1.53543498e-03 1.49414231e-04] [ 5.82867851e-03 1.53543498e-03 -1.49414198e-04] [ 5.83108495e-03 -9.57878433e-03 3.10082121e-04] [-5.83108494e-03 9.57878433e-03 -3.10082079e-04] [-5.82867848e-03 -1.53543497e-03 1.49414152e-04] [-2.51985641e-06 1.20064205e-03 4.39949535e-03] [ 2.51989313e-06 -1.20064201e-03 -4.39949535e-03] [-2.51993234e-06 1.20064205e-03 4.39949535e-03] [ 2.51987212e-06 -1.20064209e-03 -4.39949535e-03] [ 7.79012275e-07 1.15206378e-03 -4.52755615e-03] [-7.78956700e-07 -1.15206380e-03 4.52755615e-03] [ 7.78942926e-07 1.15206377e-03 -4.52755615e-03] [-7.78977466e-07 -1.15206375e-03 4.52755615e-03]] Final stress: [ 4.67109519e-05 -1.29468445e-04 -7.68011541e-05 -1.23254277e-03 1.04107585e-04 5.12930103e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.83839381e-03 1.53323879e-03 -1.51397787e-04] [-5.84080461e-03 -9.57721066e-03 3.07659550e-04] [ 5.84080462e-03 9.57721065e-03 -3.07659575e-04] [ 5.83839378e-03 -1.53323880e-03 1.51397845e-04] [-5.83839378e-03 1.53323879e-03 -1.51397792e-04] [-5.84080462e-03 -9.57721065e-03 3.07659624e-04] [ 5.84080461e-03 9.57721065e-03 -3.07659584e-04] [ 5.83839381e-03 -1.53323879e-03 1.51397741e-04] [ 2.52446974e-06 1.19877474e-03 4.39941803e-03] [-2.52449090e-06 -1.19877474e-03 -4.39941804e-03] [ 2.52445236e-06 1.19877477e-03 4.39941804e-03] [-2.52448075e-06 -1.19877478e-03 -4.39941804e-03] [-7.80468704e-07 1.15242714e-03 -4.52753530e-03] [ 7.80494701e-07 -1.15242713e-03 4.52753529e-03] [-7.80484699e-07 1.15242711e-03 -4.52753530e-03] [ 7.80503202e-07 -1.15242710e-03 4.52753530e-03]] Final stress: [ 4.67319292e-05 -1.29417650e-04 -7.67387184e-05 -1.23257532e-03 -1.04280457e-04 -5.13758407e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.83870509e-03 9.57775436e-03 3.08656223e-04] [ 5.83629524e-03 -1.53397181e-03 -1.50515424e-04] [-5.83629524e-03 1.53397180e-03 1.50515429e-04] [-5.83870507e-03 -9.57775437e-03 -3.08656185e-04] [ 5.83870507e-03 9.57775436e-03 3.08656272e-04] [ 5.83629524e-03 -1.53397180e-03 -1.50515353e-04] [-5.83629524e-03 1.53397181e-03 1.50515369e-04] [-5.83870509e-03 -9.57775436e-03 -3.08656280e-04] [ 2.52343415e-06 1.20060972e-03 -4.39945568e-03] [-2.52348964e-06 -1.20060964e-03 4.39945566e-03] [ 2.52347039e-06 1.20060970e-03 -4.39945567e-03] [-2.52345483e-06 -1.20060975e-03 4.39945566e-03] [-7.80152052e-07 1.15146632e-03 4.52755243e-03] [ 7.80137396e-07 -1.15146637e-03 -4.52755245e-03] [-7.80118798e-07 1.15146632e-03 4.52755243e-03] [ 7.80169456e-07 -1.15146630e-03 -4.52755244e-03]] Final stress: [ 4.67104897e-05 -1.29420210e-04 -7.67476895e-05 1.23256684e-03 1.04243117e-04 -5.13576422e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.84369158e-03 9.57576449e-03 3.08277249e-04] [-5.84127937e-03 -1.53121696e-03 -1.50467352e-04] [ 5.84127937e-03 1.53121695e-03 1.50467444e-04] [ 5.84369163e-03 -9.57576450e-03 -3.08277310e-04] [-5.84369163e-03 9.57576449e-03 3.08277274e-04] [-5.84127937e-03 -1.53121696e-03 -1.50467439e-04] [ 5.84127937e-03 1.53121695e-03 1.50467403e-04] [ 5.84369158e-03 -9.57576450e-03 -3.08277244e-04] [-2.52585964e-06 1.20009967e-03 -4.39939165e-03] [ 2.52575968e-06 -1.20009956e-03 4.39939164e-03] [-2.52583625e-06 1.20009966e-03 -4.39939165e-03] [ 2.52583176e-06 -1.20009961e-03 4.39939164e-03] [ 7.80915477e-07 1.15023685e-03 4.52752368e-03] [-7.80913289e-07 -1.15023694e-03 -4.52752369e-03] [ 7.80938154e-07 1.15023688e-03 4.52752368e-03] [-7.80846822e-07 -1.15023690e-03 -4.52752368e-03]] Final stress: [ 4.67424642e-05 -1.29350303e-04 -7.66936951e-05 1.23261055e-03 -1.04331802e-04 5.14002750e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.77356259e-02 2.10655031e-03 5.36501679e-05] [ 1.77625853e-02 -1.49960924e-02 1.62925338e-04] [-1.77625855e-02 1.49960924e-02 -1.62925198e-04] [ 1.77356260e-02 -2.10655032e-03 -5.36503065e-05] [-1.77356260e-02 2.10655029e-03 5.36503155e-05] [ 1.77625855e-02 -1.49960925e-02 1.62925192e-04] [-1.77625853e-02 1.49960924e-02 -1.62925386e-04] [ 1.77356259e-02 -2.10655033e-03 -5.36501676e-05] [-8.57674717e-03 1.77934700e-03 6.82697902e-03] [ 8.57674717e-03 -1.77934698e-03 -6.82697902e-03] [-8.57674705e-03 1.77934711e-03 6.82697904e-03] [ 8.57674710e-03 -1.77934690e-03 -6.82697903e-03] [ 3.59861841e-03 1.78800023e-03 -7.21588426e-03] [-3.59861845e-03 -1.78800022e-03 7.21588427e-03] [ 3.59861852e-03 1.78800014e-03 -7.21588424e-03] [-3.59861852e-03 -1.78800029e-03 7.21588427e-03]] Final stress: [-1.79321617e-05 -2.16307988e-04 -1.43174911e-04 -1.95666450e-03 -4.40246182e-07 9.33731052e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.77416080e-02 2.10211828e-03 5.43896866e-05] [-1.77685730e-02 -1.49921426e-02 1.62955341e-04] [ 1.77685730e-02 1.49921426e-02 -1.62955032e-04] [-1.77416080e-02 -2.10211828e-03 -5.43899689e-05] [ 1.77416080e-02 2.10211827e-03 5.43897434e-05] [-1.77685731e-02 -1.49921426e-02 1.62955432e-04] [ 1.77685730e-02 1.49921426e-02 -1.62955087e-04] [-1.77416080e-02 -2.10211828e-03 -5.43900517e-05] [ 8.57910535e-03 1.77791658e-03 6.82629437e-03] [-8.57910524e-03 -1.77791657e-03 -6.82629439e-03] [ 8.57910521e-03 1.77791662e-03 6.82629437e-03] [-8.57910514e-03 -1.77791660e-03 -6.82629438e-03] [-3.60006460e-03 1.78426359e-03 -7.21536191e-03] [ 3.60006454e-03 -1.78426360e-03 7.21536190e-03] [-3.60006473e-03 1.78426358e-03 -7.21536190e-03] [ 3.60006463e-03 -1.78426358e-03 7.21536188e-03]] Final stress: [-1.79043858e-05 -2.16195663e-04 -1.43102504e-04 -1.95660319e-03 4.40287275e-07 -9.34288250e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-1.77588213e-02 1.49990019e-02 1.64023977e-04] [ 1.77318644e-02 -2.10938343e-03 5.42368391e-05] [-1.77318646e-02 2.10938343e-03 -5.42365734e-05] [ 1.77588212e-02 -1.49990019e-02 -1.64024207e-04] [-1.77588212e-02 1.49990019e-02 1.64024167e-04] [ 1.77318646e-02 -2.10938345e-03 5.42367111e-05] [-1.77318644e-02 2.10938341e-03 -5.42367529e-05] [ 1.77588213e-02 -1.49990019e-02 -1.64024064e-04] [-8.57529146e-03 1.78012051e-03 -6.82745083e-03] [ 8.57529123e-03 -1.78012049e-03 6.82745081e-03] [-8.57529136e-03 1.78012059e-03 -6.82745083e-03] [ 8.57529150e-03 -1.78012053e-03 6.82745080e-03] [ 3.59764539e-03 1.78847303e-03 7.21634897e-03] [-3.59764551e-03 -1.78847305e-03 -7.21634899e-03] [ 3.59764547e-03 1.78847300e-03 7.21634897e-03] [-3.59764527e-03 -1.78847301e-03 -7.21634900e-03]] Final stress: [-1.79843258e-05 -2.16394719e-04 -1.43251545e-04 1.95674608e-03 4.40243012e-07 9.33344003e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.77635954e-02 1.49920472e-02 1.62298816e-04] [-1.77366370e-02 -2.10259150e-03 5.35011872e-05] [ 1.77366370e-02 2.10259149e-03 -5.35014955e-05] [-1.77635953e-02 -1.49920472e-02 -1.62298444e-04] [ 1.77635953e-02 1.49920472e-02 1.62298744e-04] [-1.77366370e-02 -2.10259150e-03 5.35012182e-05] [ 1.77366370e-02 2.10259150e-03 -5.35014583e-05] [-1.77635954e-02 -1.49920472e-02 -1.62298476e-04] [ 8.57717604e-03 1.77608606e-03 -6.82607515e-03] [-8.57717627e-03 -1.77608605e-03 6.82607513e-03] [ 8.57717615e-03 1.77608602e-03 -6.82607515e-03] [-8.57717621e-03 -1.77608612e-03 6.82607513e-03] [-3.59904720e-03 1.78539092e-03 7.21510836e-03] [ 3.59904725e-03 -1.78539091e-03 -7.21510838e-03] [-3.59904710e-03 1.78539095e-03 7.21510837e-03] [ 3.59904730e-03 -1.78539085e-03 -7.21510839e-03]] Final stress: [-1.78990252e-05 -2.16220486e-04 -1.43117392e-04 1.95653063e-03 -4.40199433e-07 -9.33904685e-05] 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. 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 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.64681925e-10 -2.15623564e-03 1.27236669e-03] [-4.09115003e-10 -7.28707742e-03 -8.83049118e-04] [ 2.80074180e-10 7.28707760e-03 8.83051805e-04] [-7.92360317e-10 2.15623583e-03 -1.27236943e-03] [ 8.01959058e-10 -2.15623575e-03 1.27237076e-03] [-2.50340066e-10 -7.28707745e-03 -8.83048638e-04] [ 4.19009460e-10 7.28707750e-03 8.83047776e-04] [ 4.93992163e-10 2.15623579e-03 -1.27236989e-03] [-3.02237559e-10 -4.15635951e-05 3.82066509e-03] [-6.80022565e-10 4.15627889e-05 -3.82066507e-03] [ 4.58143993e-10 -4.15623260e-05 3.82066508e-03] [-1.66613899e-10 4.15613381e-05 -3.82066508e-03] [-3.66409509e-10 2.10022092e-04 -4.62660596e-03] [ 1.23468258e-10 -2.10021421e-04 4.62660598e-03] [ 2.92293165e-10 2.10020952e-04 -4.62660598e-03] [ 5.62844205e-10 -2.10020292e-04 4.62660598e-03]] Final stress: [ 1.10940961e-04 -5.06926111e-05 -2.08315454e-05 -1.26820478e-03 -1.60377936e-12 -4.70227173e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.12363538e-10 7.27591883e-03 -8.83768466e-04] [ 3.88392388e-10 2.16978113e-03 1.27336422e-03] [-8.24704437e-10 -2.16978095e-03 -1.27336241e-03] [-5.30130878e-10 -7.27591867e-03 8.83766647e-04] [ 4.61331727e-10 7.27591875e-03 -8.83766734e-04] [ 8.75747568e-10 2.16978098e-03 1.27335942e-03] [-4.56871215e-10 -2.16978106e-03 -1.27336419e-03] [ 8.63638797e-10 -7.27591883e-03 8.83771473e-04] [-6.68652718e-10 -4.77599160e-05 -3.82008861e-03] [ 4.13893815e-11 4.77594815e-05 3.82008862e-03] [ 8.93554011e-10 -4.77606772e-05 -3.82008859e-03] [ 2.77206400e-11 4.77599779e-05 3.82008860e-03] [-8.40385602e-10 2.02050064e-04 4.62642250e-03] [ 4.45843648e-11 -2.02049544e-04 -4.62642250e-03] [ 5.29848710e-10 2.02050588e-04 4.62642251e-03] [ 6.90374280e-12 -2.02050155e-04 -4.62642250e-03]] Final stress: [ 1.11077477e-04 -5.03819145e-05 -2.06227339e-05 1.26830171e-03 4.14467238e-12 -2.43319354e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.38441425e-10 -1.98955347e-03 1.25696887e-03] [-3.45406943e-10 -7.40657698e-03 -8.43554623e-04] [-1.22478053e-09 7.40657701e-03 8.43556556e-04] [-2.24299282e-10 1.98955350e-03 -1.25697082e-03] [ 2.47397136e-10 -1.98955352e-03 1.25697049e-03] [ 1.19800762e-09 -7.40657699e-03 -8.43555651e-04] [ 3.68604838e-10 7.40657697e-03 8.43554994e-04] [ 8.11857302e-10 1.98955347e-03 -1.25696969e-03] [-4.22158919e-10 -6.28071569e-05 3.82660312e-03] [-5.01020638e-10 6.28076073e-05 -3.82660313e-03] [ 2.15851414e-10 -6.28072634e-05 3.82660311e-03] [ 7.83629453e-10 6.28071653e-05 -3.82660316e-03] [-2.22388031e-10 2.09481136e-04 -4.62947685e-03] [-6.30118314e-10 -2.09481449e-04 4.62947684e-03] [ 3.07087641e-10 2.09481098e-04 -4.62947687e-03] [ 4.76183956e-10 -2.09481134e-04 4.62947681e-03]] Final stress: [ 9.66723413e-05 -5.75942138e-05 -2.77163721e-05 -1.26621227e-03 1.17334979e-12 2.55453242e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.58091437e-09 7.39114442e-03 -8.47727838e-04] [ 1.60112072e-10 2.00844057e-03 1.25498833e-03] [-5.45492799e-10 -2.00844061e-03 -1.25498738e-03] [ 1.90941526e-10 -7.39114445e-03 8.47726864e-04] [-1.74432511e-10 7.39114445e-03 -8.47729654e-04] [ 4.79190007e-10 2.00844052e-03 1.25498616e-03] [-1.43517556e-10 -2.00844057e-03 -1.25498552e-03] [-1.64779100e-09 -7.39114451e-03 8.47729041e-04] [ 6.03342887e-10 -7.89479741e-05 -3.82532599e-03] [-5.65173403e-11 7.89485838e-05 3.82532600e-03] [-4.44858729e-11 -7.89493876e-05 -3.82532601e-03] [ 3.82001262e-10 7.89498900e-05 3.82532599e-03] [ 5.22166004e-11 1.96214685e-04 4.62894702e-03] [-3.80311386e-10 -1.96215212e-04 -4.62894702e-03] [-4.96646660e-10 1.96215926e-04 4.62894700e-03] [ 4.04786379e-11 -1.96216336e-04 -4.62894701e-03]] Final stress: [ 9.67382703e-05 -5.72367460e-05 -2.74776986e-05 1.26630898e-03 9.31782339e-12 -1.26376601e-12] 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. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.30077724e-10 -2.03400276e-03 1.27610441e-03] [ 4.61505169e-10 -7.36974108e-03 -8.57298372e-04] [ 6.47267937e-10 7.36974120e-03 8.57299116e-04] [ 6.69111337e-10 2.03400287e-03 -1.27610492e-03] [-7.06555183e-10 -2.03400274e-03 1.27610525e-03] [-6.59594289e-10 -7.36974104e-03 -8.57297653e-04] [-4.99373795e-10 7.36974119e-03 8.57298052e-04] [-1.42042953e-10 2.03400292e-03 -1.27610592e-03] [ 7.54960019e-10 7.06790275e-05 3.84299643e-03] [ 5.48615963e-10 -7.06802244e-05 -3.84299650e-03] [ 6.09463659e-11 7.06795008e-05 3.84299650e-03] [-4.86864435e-10 -7.06810162e-05 -3.84299642e-03] [-8.02814057e-11 3.47093545e-04 -4.63804836e-03] [ 4.35625091e-10 -3.47092537e-04 4.63804828e-03] [-6.71791111e-10 3.47093078e-04 -4.63804828e-03] [-4.61604526e-10 -3.47091922e-04 4.63804839e-03]] Final stress: [ 1.07723651e-04 -4.96509256e-05 -2.22673147e-05 -1.26793440e-03 -3.22501676e-12 -3.20894382e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.79699642e-10 7.35567721e-03 -8.62559731e-04] [-4.86166403e-10 2.05127277e-03 1.27291980e-03] [-6.84057886e-10 -2.05127269e-03 -1.27291911e-03] [-3.34185769e-10 -7.35567716e-03 8.62559064e-04] [ 4.21539193e-10 7.35567706e-03 -8.62556116e-04] [ 6.30262848e-10 2.05127269e-03 1.27292053e-03] [ 5.73007548e-10 -2.05127286e-03 -1.27292271e-03] [ 3.25811386e-10 -7.35567724e-03 8.62558337e-04] [ 2.56930826e-10 5.49030863e-05 -3.84187983e-03] [-1.12007644e-09 -5.49029994e-05 3.84187982e-03] [-9.19896399e-11 5.49044487e-05 -3.84187983e-03] [ 3.68997527e-10 -5.49039652e-05 3.84187980e-03] [ 9.31732577e-11 3.38056421e-04 4.63759527e-03] [-3.10780813e-10 -3.38056514e-04 -4.63759528e-03] [-2.50007237e-10 3.38055365e-04 4.63759526e-03] [ 9.87229674e-10 -3.38055629e-04 -4.63759527e-03]] Final stress: [ 1.07833162e-04 -4.93291447e-05 -2.20328968e-05 1.26803078e-03 6.79663095e-13 -4.00200812e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.33636749e-10 -2.11313923e-03 1.25821034e-03] [-5.31621842e-10 -7.32117742e-03 -8.65627842e-04] [-1.15348724e-09 7.32117738e-03 8.65626383e-04] [ 3.72924617e-11 2.11313921e-03 -1.25820889e-03] [-8.58290479e-11 -2.11313920e-03 1.25821055e-03] [ 1.13413615e-09 -7.32117728e-03 -8.65623108e-04] [ 4.82571296e-10 7.32117746e-03 8.65626244e-04] [ 5.14588937e-10 2.11313934e-03 -1.25821363e-03] [-3.61091465e-10 -1.38014652e-04 3.80787544e-03] [-2.72496479e-11 1.38014051e-04 -3.80787544e-03] [ 8.04428238e-10 -1.38013119e-04 3.80787540e-03] [ 7.56743087e-10 1.38012849e-04 -3.80787543e-03] [-7.42610238e-10 8.66535923e-05 -4.62012091e-03] [-6.16890530e-10 -8.66532307e-05 4.62012089e-03] [ 2.68316262e-10 8.66523973e-05 -4.62012091e-03] [ 5.43378898e-11 -8.66521425e-05 4.62012090e-03]] Final stress: [ 1.00449604e-04 -5.81237520e-05 -2.57532570e-05 -1.26674821e-03 2.22416146e-13 1.60634762e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.37672998e-10 7.31780150e-03 -8.68171106e-04] [-1.36224036e-10 2.11699974e-03 1.25550185e-03] [-6.66356365e-10 -2.11699985e-03 -1.25550520e-03] [-6.51495788e-10 -7.31780163e-03 8.68174479e-04] [ 6.65824299e-10 7.31780155e-03 -8.68170649e-04] [ 6.66095924e-10 2.11699984e-03 1.25550474e-03] [ 1.50414975e-10 -2.11699981e-03 -1.25550566e-03] [-2.37730976e-10 -7.31780152e-03 8.68171652e-04] [-3.07136218e-10 -1.51579252e-04 -3.80700986e-03] [ 4.03649978e-11 1.51579668e-04 3.80700982e-03] [-2.50450861e-10 -1.51578458e-04 -3.80700984e-03] [ 2.91066553e-10 1.51578355e-04 3.80700982e-03] [ 2.47785141e-10 7.90815658e-05 4.61963793e-03] [-2.62362933e-10 -7.90818853e-05 -4.61963793e-03] [ 2.74601276e-10 7.90809212e-05 4.61963792e-03] [-6.20753487e-11 -7.90807434e-05 -4.61963797e-03]] Final stress: [ 1.00291699e-04 -5.81652695e-05 -2.58203321e-05 1.26669417e-03 6.31036816e-12 3.80845898e-12] 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. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.70193772e-10 -2.06804493e-03 1.27241920e-03] [ 7.50707376e-10 -7.34755169e-03 -8.65961255e-04] [-1.20137762e-09 7.34755156e-03 8.65959971e-04] [ 1.83304092e-10 2.06804482e-03 -1.27241777e-03] [-1.96823733e-10 -2.06804493e-03 1.27241684e-03] [ 1.16723123e-09 -7.34755168e-03 -8.65960176e-04] [-7.64372670e-10 7.34755155e-03 8.65962268e-04] [-2.03851981e-10 2.06804480e-03 -1.27241888e-03] [ 5.63557426e-12 2.40445266e-05 3.83491646e-03] [ 1.67141556e-10 -2.40445775e-05 -3.83491652e-03] [ 1.18737902e-10 2.40448111e-05 3.83491649e-03] [ 5.47286360e-10 -2.40433728e-05 -3.83491652e-03] [-1.72437059e-10 2.98725057e-04 -4.63386132e-03] [-4.22506573e-10 -2.98725059e-04 4.63386124e-03] [-6.85104172e-11 2.98724978e-04 -4.63386130e-03] [-8.03665022e-11 -2.98725869e-04 4.63386127e-03]] Final stress: [ 1.07469268e-04 -5.23335428e-05 -1.79800087e-05 -1.26789679e-03 8.61522595e-12 3.16504163e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.18922018e-10 7.35879511e-03 -8.62544190e-04] [ 2.69830595e-10 2.05427181e-03 1.27406168e-03] [-1.03111891e-09 -2.05427188e-03 -1.27406204e-03] [ 1.19337384e-09 -7.35879520e-03 8.62544545e-04] [-1.23048227e-09 7.35879521e-03 -8.62545402e-04] [ 1.04676855e-09 2.05427192e-03 1.27406300e-03] [-3.06695659e-10 -2.05427180e-03 -1.27406075e-03] [ 8.34694679e-10 -7.35879509e-03 8.62543293e-04] [-5.32269108e-10 3.35310006e-05 -3.83558999e-03] [ 2.84997916e-10 -3.35310416e-05 3.83558997e-03] [ 2.44240040e-10 3.35307857e-05 -3.83559001e-03] [ 3.75186210e-10 -3.35313023e-05 3.83558995e-03] [-3.32006913e-10 3.04732332e-04 4.63409384e-03] [-2.19388475e-10 -3.04732242e-04 -4.63409385e-03] [ 3.61142719e-10 3.04732433e-04 4.63409381e-03] [-1.39349950e-10 -3.04732035e-04 -4.63409387e-03]] Final stress: [ 1.07331606e-04 -5.26246002e-05 -1.81982895e-05 1.26780018e-03 -3.15164998e-12 5.14745667e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.88234376e-09 -2.07899739e-03 1.25372792e-03] [-2.55116074e-10 -7.34520483e-03 -8.64970534e-04] [-9.25496201e-10 7.34520463e-03 8.64971548e-04] [ 7.82030022e-11 2.07899719e-03 -1.25372882e-03] [-5.69203615e-11 -2.07899734e-03 1.25372868e-03] [ 9.01907874e-10 -7.34520475e-03 -8.64969657e-04] [ 2.76492979e-10 7.34520468e-03 8.64970686e-04] [ 1.85876927e-09 2.07899728e-03 -1.25372975e-03] [-4.63610268e-10 -1.20025706e-04 3.81315601e-03] [-4.22351111e-10 1.20026993e-04 -3.81315605e-03] [ 1.57250093e-10 -1.20025285e-04 3.81315604e-03] [ 7.80520598e-10 1.20025965e-04 -3.81315604e-03] [-2.04856777e-10 1.27197340e-04 -4.62269715e-03] [-5.84437935e-10 -1.27198175e-04 4.62269710e-03] [ 3.01422550e-10 1.27196806e-04 -4.62269712e-03] [ 4.40575132e-10 -1.27197412e-04 4.62269712e-03]] Final stress: [ 1.00288998e-04 -5.57850792e-05 -3.03399849e-05 -1.26661573e-03 -5.74801755e-12 3.66388581e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 5.88783612e-10 7.34004315e-03 -8.68423382e-04] [-9.16405236e-10 2.08522533e-03 1.25091037e-03] [ 7.77290379e-10 -2.08522525e-03 -1.25090771e-03] [ 3.79197410e-10 -7.34004307e-03 8.68420709e-04] [-4.73909112e-10 7.34004310e-03 -8.68422805e-04] [-7.41185372e-10 2.08522529e-03 1.25091014e-03] [ 8.22198084e-10 -2.08522526e-03 -1.25090823e-03] [-5.52687398e-10 -7.34004309e-03 8.68421062e-04] [-2.45270124e-10 -1.29285781e-04 -3.81270192e-03] [ 8.98233278e-10 1.29284870e-04 3.81270190e-03] [ 4.55537383e-10 -1.29285469e-04 -3.81270194e-03] [-1.01720702e-10 1.29284965e-04 3.81270188e-03] [-3.51781681e-10 1.24895685e-04 4.62249852e-03] [ 2.35692513e-11 -1.24894890e-04 -4.62249852e-03] [ 2.90465053e-10 1.24895399e-04 4.62249851e-03] [-8.52298641e-10 -1.24894982e-04 -4.62249858e-03]] Final stress: [ 1.00318434e-04 -5.57030829e-05 -3.02740068e-05 1.26663976e-03 -6.60848824e-12 2.07977510e-12] 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. 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: [[ 1.62291684e-10 8.92809714e-04 7.68266971e-04] [-2.24061117e-10 -9.26412978e-03 -8.31040203e-06] [ 1.39755966e-10 9.26412972e-03 8.30950021e-06] [-8.43802589e-11 -8.92809764e-04 -7.68266104e-04] [ 8.41073297e-11 8.92809776e-04 7.68265001e-04] [-1.53008707e-10 -9.26412974e-03 -8.31021441e-06] [ 2.23810507e-10 9.26412978e-03 8.31149644e-06] [-1.75493717e-10 -8.92809735e-04 -7.68266259e-04] [ 1.32787355e-10 -1.29438495e-04 4.04471682e-03] [-8.73893666e-11 1.29438433e-04 -4.04471681e-03] [ 1.17675413e-10 -1.29438930e-04 4.04471681e-03] [ 6.64489999e-11 1.29439002e-04 -4.04471682e-03] [-8.38802599e-11 3.38030975e-04 -4.76508243e-03] [-8.05789387e-11 -3.38030936e-04 4.76508244e-03] [-9.61219987e-11 3.38031366e-04 -4.76508244e-03] [ 5.80259091e-11 -3.38031390e-04 4.76508243e-03]] Final stress: [ 4.19724569e-05 -1.33559383e-04 -9.06017212e-05 -1.22725506e-03 -5.18598345e-13 -1.37337155e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.85535973e-10 9.26836433e-03 -6.58947708e-06] [-1.16836023e-10 -8.99167402e-04 7.68459528e-04] [-4.25054124e-10 8.99167363e-04 -7.68459768e-04] [ 1.22344392e-10 -9.26836437e-03 6.58970788e-06] [-1.22801378e-10 9.26836435e-03 -6.58960837e-06] [ 4.21361393e-10 -8.99167365e-04 7.68460913e-04] [ 1.16394531e-10 8.99167385e-04 -7.68459631e-04] [ 5.81781131e-10 -9.26836433e-03 6.58833160e-06] [-1.42869339e-10 -1.25567522e-04 -4.04527235e-03] [-8.95175175e-11 1.25567336e-04 4.04527235e-03] [ 1.00460018e-10 -1.25567040e-04 -4.04527235e-03] [ 1.98669171e-10 1.25567194e-04 4.04527236e-03] [-1.15529687e-10 3.40926209e-04 4.76526536e-03] [-1.34020204e-10 -3.40926045e-04 -4.76526535e-03] [ 8.47993537e-11 3.40925808e-04 4.76526536e-03] [ 1.06347156e-10 -3.40925902e-04 -4.76526536e-03]] Final stress: [ 4.19205367e-05 -1.33683996e-04 -9.06937341e-05 1.22717193e-03 -1.77364971e-12 9.58016828e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.92620400e-03 -8.28262308e-04 8.66491625e-05] [ 5.92908175e-03 -7.92053267e-03 2.08162083e-05] [-5.92908172e-03 7.92053266e-03 -2.08165418e-05] [-5.92620398e-03 8.28262316e-04 -8.66488297e-05] [ 5.92620399e-03 -8.28262315e-04 8.66486619e-05] [ 5.92908172e-03 -7.92053267e-03 2.08163438e-05] [-5.92908174e-03 7.92053266e-03 -2.08160265e-05] [-5.92620400e-03 8.28262306e-04 -8.66489184e-05] [-2.67858707e-06 7.70230440e-04 4.26146544e-03] [ 2.67843976e-06 -7.70230580e-04 -4.26146544e-03] [-2.67855909e-06 7.70230356e-04 4.26146543e-03] [ 2.67852657e-06 -7.70230306e-04 -4.26146546e-03] [ 8.54415989e-07 7.54729723e-04 -4.35827416e-03] [-8.54388346e-07 -7.54729644e-04 4.35827415e-03] [ 8.54442009e-07 7.54729832e-04 -4.35827416e-03] [-8.54308487e-07 -7.54729801e-04 4.35827414e-03]] Final stress: [ 9.13252028e-05 -7.12640411e-05 -3.19938273e-05 -1.26013882e-03 1.05694358e-04 5.20924724e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.91546488e-03 -8.26903521e-04 8.61751702e-05] [-5.91833715e-03 -7.92161655e-03 2.06531450e-05] [ 5.91833716e-03 7.92161652e-03 -2.06529062e-05] [ 5.91546483e-03 8.26903500e-04 -8.61753936e-05] [-5.91546483e-03 -8.26903511e-04 8.61755933e-05] [-5.91833716e-03 -7.92161654e-03 2.06531269e-05] [ 5.91833715e-03 7.92161653e-03 -2.06533794e-05] [ 5.91546488e-03 8.26903515e-04 -8.61753765e-05] [ 2.67344801e-06 7.68373973e-04 4.26141657e-03] [-2.67347622e-06 -7.68373910e-04 -4.26141658e-03] [ 2.67343315e-06 7.68374102e-04 4.26141659e-03] [-2.67343277e-06 -7.68374097e-04 -4.26141659e-03] [-8.52705871e-07 7.55144399e-04 -4.35822071e-03] [ 8.52705147e-07 -7.55144353e-04 4.35822072e-03] [-8.52719913e-07 7.55144212e-04 -4.35822069e-03] [ 8.52743880e-07 -7.55144268e-04 4.35822072e-03]] Final stress: [ 9.12919916e-05 -7.13247171e-05 -3.20447983e-05 -1.26011640e-03 -1.05503268e-04 -5.19999877e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.92500420e-03 7.91741510e-03 2.08078164e-05] [ 5.92212820e-03 8.32045037e-04 8.68599151e-05] [-5.92212817e-03 -8.32045070e-04 -8.68601397e-05] [-5.92500420e-03 -7.91741513e-03 -2.08075665e-05] [ 5.92500420e-03 7.91741510e-03 2.08075690e-05] [ 5.92212817e-03 8.32045054e-04 8.68599121e-05] [-5.92212820e-03 -8.32045043e-04 -8.68598927e-05] [-5.92500420e-03 -7.91741509e-03 -2.08075444e-05] [ 2.67656768e-06 7.68627172e-04 -4.26138460e-03] [-2.67658421e-06 -7.68627016e-04 4.26138457e-03] [ 2.67661147e-06 7.68627003e-04 -4.26138460e-03] [-2.67659230e-06 -7.68627051e-04 4.26138458e-03] [-8.53719706e-07 7.52552684e-04 4.35820641e-03] [ 8.53700997e-07 -7.52552777e-04 -4.35820642e-03] [-8.53678365e-07 7.52552791e-04 4.35820642e-03] [ 8.53693780e-07 -7.52552763e-04 -4.35820644e-03]] Final stress: [ 9.13658871e-05 -7.11760182e-05 -3.19346824e-05 1.26017426e-03 1.05621826e-04 -5.20570875e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.91206417e-03 7.92944875e-03 2.36514495e-05] [-5.90919544e-03 8.17375236e-04 8.83951370e-05] [ 5.90919551e-03 -8.17375245e-04 -8.83949607e-05] [ 5.91206417e-03 -7.92944876e-03 -2.36515499e-05] [-5.91206417e-03 7.92944876e-03 2.36515929e-05] [-5.90919551e-03 8.17375232e-04 8.83950678e-05] [ 5.90919544e-03 -8.17375250e-04 -8.83951671e-05] [ 5.91206418e-03 -7.92944875e-03 -2.36515059e-05] [-2.67034920e-06 7.75349269e-04 -4.26185195e-03] [ 2.67030810e-06 -7.75349220e-04 4.26185192e-03] [-2.67033419e-06 7.75349289e-04 -4.26185192e-03] [ 2.67029363e-06 -7.75349214e-04 4.26185193e-03] [ 8.51665085e-07 7.60986917e-04 4.35845452e-03] [-8.51629380e-07 -7.60986925e-04 -4.35845455e-03] [ 8.51679118e-07 7.60986860e-04 4.35845454e-03] [-8.51640347e-07 -7.60986943e-04 -4.35845455e-03]] Final stress: [ 9.12518077e-05 -7.15284079e-05 -3.22034674e-05 1.26004931e-03 -1.05391734e-04 5.19446187e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.01131507 -0.00096045 0.00024963] [ 0.01132626 -0.00785908 -0.0001654 ] [-0.01132626 0.00785908 0.0001654 ] [ 0.01131507 0.00096045 -0.00024963] [-0.01131507 -0.00096045 0.00024963] [ 0.01132626 -0.00785908 -0.0001654 ] [-0.01132626 0.00785908 0.0001654 ] [ 0.01131507 0.00096045 -0.00024963] [-0.00559006 0.00073125 0.00417758] [ 0.00559006 -0.00073125 -0.00417758] [-0.00559006 0.00073125 0.00417758] [ 0.00559006 -0.00073125 -0.00417758] [ 0.00255356 0.00072938 -0.00439231] [-0.00255356 -0.00072938 0.00439231] [ 0.00255356 0.00072938 -0.00439231] [-0.00255356 -0.00072938 0.00439231]] Final stress: [ 9.29697304e-05 -6.86384951e-05 -2.99768769e-05 -1.25658459e-03 -1.60661720e-07 6.88443379e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.01131663 -0.00095739 0.00024789] [-0.01132782 -0.00786156 -0.00016688] [ 0.01132782 0.00786156 0.00016688] [-0.01131663 0.00095739 -0.00024789] [ 0.01131663 -0.00095739 0.00024789] [-0.01132782 -0.00786156 -0.00016688] [ 0.01132782 0.00786156 0.00016688] [-0.01131663 0.00095739 -0.00024789] [ 0.00559064 0.00072757 0.00417741] [-0.00559064 -0.00072757 -0.00417741] [ 0.00559064 0.00072757 0.00417741] [-0.00559064 -0.00072757 -0.00417741] [-0.00255377 0.00073097 -0.00439224] [ 0.00255377 -0.00073097 0.00439224] [-0.00255377 0.00073097 -0.00439224] [ 0.00255377 -0.00073097 0.00439224]] Final stress: [ 9.28968541e-05 -6.87631894e-05 -3.00676748e-05 -1.25652935e-03 1.60679818e-07 -6.88520447e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.01132607 0.00785881 -0.00016501] [ 0.01131488 0.00096077 0.00025004] [-0.01131488 -0.00096077 -0.00025004] [ 0.01132607 -0.00785881 0.00016501] [-0.01132607 0.00785881 -0.00016501] [ 0.01131488 0.00096077 0.00025004] [-0.01131488 -0.00096077 -0.00025004] [ 0.01132607 -0.00785881 0.00016501] [-0.00559001 0.00073121 -0.00417759] [ 0.00559001 -0.00073121 0.00417759] [-0.00559001 0.00073121 -0.00417759] [ 0.00559001 -0.00073121 0.00417759] [ 0.00255354 0.00072936 0.00439231] [-0.00255354 -0.00072936 -0.00439231] [ 0.00255354 0.00072936 0.00439231] [-0.00255354 -0.00072936 -0.00439231]] Final stress: [ 9.29837782e-05 -6.86326142e-05 -2.99773538e-05 1.25658873e-03 1.60660651e-07 6.88434692e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.0113206 0.00786259 -0.00016493] [-0.01130941 0.00095612 0.0002495 ] [ 0.01130941 -0.00095612 -0.0002495 ] [-0.0113206 -0.00786259 0.00016493] [ 0.0113206 0.00786259 -0.00016493] [-0.01130941 0.00095612 0.0002495 ] [ 0.01130941 -0.00095612 -0.0002495 ] [-0.0113206 -0.00786259 0.00016493] [ 0.00558778 0.00072913 -0.00417744] [-0.00558778 -0.00072913 0.00417744] [ 0.00558778 0.00072913 -0.00417744] [-0.00558778 -0.00072913 0.00417744] [-0.00255218 0.00072944 0.00439222] [ 0.00255218 -0.00072944 -0.00439222] [-0.00255218 0.00072944 0.00439222] [ 0.00255217 -0.00072944 -0.00439222]] Final stress: [ 9.28604128e-05 -6.87912540e-05 -3.01098947e-05 1.25651748e-03 -1.60623103e-07 -6.87920220e-05] 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. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.48005896e-10 -3.20348236e-03 1.32803640e-03] [-1.71626731e-09 -6.44426901e-03 -1.09439987e-03] [-8.85894728e-10 6.44426888e-03 1.09439823e-03] [ 2.63975029e-10 3.20348221e-03 -1.32803444e-03] [-2.49813643e-10 -3.20348212e-03 1.32803273e-03] [ 8.21321582e-10 -6.44426880e-03 -1.09439937e-03] [ 1.73025954e-09 6.44426901e-03 1.09440184e-03] [ 1.84506501e-10 3.20348228e-03 -1.32803498e-03] [ 4.67943400e-10 -5.40644089e-05 3.77276019e-03] [-5.70180607e-10 5.40643619e-05 -3.77276033e-03] [ 5.05727258e-10 -5.40655100e-05 3.77276027e-03] [ 4.92015674e-10 5.40650543e-05 -3.77276040e-03] [-4.15030660e-10 1.30454295e-04 -4.59464346e-03] [-4.28224420e-10 -1.30454162e-04 4.59464329e-03] [-4.26646719e-10 1.30455108e-04 -4.59464350e-03] [ 4.74314867e-10 -1.30454827e-04 4.59464339e-03]] Final stress: [ 1.31963224e-04 -2.08352602e-05 3.77462527e-06 -1.27675694e-03 -5.97037345e-12 -4.76172261e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.85778049e-10 6.45209647e-03 -1.09325411e-03] [ 1.07169680e-10 3.19470059e-03 1.32874964e-03] [-1.13796793e-09 -3.19470053e-03 -1.32874774e-03] [-5.38794643e-10 -6.45209645e-03 1.09325249e-03] [ 4.81639472e-10 6.45209657e-03 -1.09325483e-03] [ 1.12928132e-09 3.19470058e-03 1.32874789e-03] [-1.64036360e-10 -3.19470049e-03 -1.32874722e-03] [ 8.76549823e-10 -6.45209643e-03 1.09325411e-03] [-4.65550492e-10 -4.26522777e-05 -3.77335474e-03] [ 5.27634012e-10 4.26517343e-05 3.77335464e-03] [ 3.41265754e-10 -4.26533627e-05 -3.77335468e-03] [ 7.25077252e-10 4.26517530e-05 3.77335466e-03] [-3.35151172e-10 1.41328268e-04 4.59492434e-03] [-5.68507968e-10 -1.41327666e-04 -4.59492444e-03] [ 3.41287532e-10 1.41329083e-04 4.59492440e-03] [-4.34110850e-10 -1.41327838e-04 -4.59492440e-03]] Final stress: [ 1.32038835e-04 -2.09587018e-05 3.72873415e-06 1.27675360e-03 4.00065311e-12 6.54917837e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.69411052e-09 -3.10830685e-03 1.33668279e-03] [-1.93583104e-09 -6.52402561e-03 -1.07045329e-03] [-2.04179666e-09 6.52402561e-03 1.07045483e-03] [-9.93952012e-10 3.10830691e-03 -1.33668481e-03] [ 1.03896706e-09 -3.10830716e-03 1.33668592e-03] [ 2.04033678e-09 -6.52402591e-03 -1.07045894e-03] [ 1.98104646e-09 6.52402536e-03 1.07045228e-03] [ 1.69251081e-09 3.10830655e-03 -1.33667870e-03] [-1.08151819e-09 -1.90834278e-05 3.77589030e-03] [-1.46945401e-09 1.90854982e-05 -3.77589017e-03] [ 7.95138006e-10 -1.90837745e-05 3.77589013e-03] [ 1.01667659e-09 1.90866736e-05 -3.77589029e-03] [-6.84556705e-10 1.52929212e-04 -4.59612803e-03] [-8.29123765e-10 -1.52930889e-04 4.59612818e-03] [ 8.82967465e-10 1.52929589e-04 -4.59612823e-03] [ 1.28269731e-09 -1.52931776e-04 4.59612803e-03]] Final stress: [ 1.23909312e-04 -2.45259368e-05 9.26935475e-08 -1.27618588e-03 -2.64558996e-12 -5.43463619e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-9.45000659e-10 6.50501688e-03 -1.07070913e-03] [-1.84542062e-09 3.12998869e-03 1.33845562e-03] [ 5.63891248e-10 -3.12998883e-03 -1.33845550e-03] [-1.14369603e-09 -6.50501701e-03 1.07070901e-03] [ 1.19783930e-09 6.50501685e-03 -1.07070904e-03] [-5.16360160e-10 3.12998866e-03 1.33845407e-03] [ 1.89909708e-09 -3.12998886e-03 -1.33845556e-03] [ 9.92815158e-10 -6.50501703e-03 1.07071044e-03] [-1.36405718e-09 -1.78181688e-05 -3.77550246e-03] [-1.74877142e-09 1.78188398e-05 3.77550247e-03] [ 8.14815546e-10 -1.78181880e-05 -3.77550247e-03] [ 5.07535222e-10 1.78192231e-05 3.77550250e-03] [-6.22370913e-10 1.37603081e-04 4.59606382e-03] [-5.26068343e-10 -1.37603387e-04 -4.59606381e-03] [ 1.28537943e-09 1.37602969e-04 4.59606381e-03] [ 1.45037635e-09 -1.37603718e-04 -4.59606376e-03]] Final stress: [ 1.24116942e-04 -2.38673962e-05 5.86687129e-07 1.27631846e-03 -9.84068645e-12 -3.79399416e-12] 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. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.41109033e-10 -3.15244433e-03 1.34000074e-03] [ 5.81570723e-10 -6.48512592e-03 -1.07727388e-03] [ 6.74502199e-10 6.48512603e-03 1.07727843e-03] [-8.98286904e-10 3.15244447e-03 -1.34000533e-03] [ 9.02234407e-10 -3.15244440e-03 1.34000180e-03] [-7.18480191e-10 -6.48512599e-03 -1.07727515e-03] [-5.77281102e-10 6.48512591e-03 1.07727730e-03] [ 7.97191408e-10 3.15244435e-03 -1.34000400e-03] [-1.53404314e-10 1.12752984e-05 3.77888477e-03] [-7.68634349e-10 -1.12761114e-05 -3.77888475e-03] [ 7.90876995e-10 1.12755023e-05 3.77888482e-03] [ 8.18240587e-10 -1.12758235e-05 -3.77888479e-03] [-7.04082770e-10 1.91370761e-04 -4.59780843e-03] [-7.41873044e-10 -1.91370087e-04 4.59780844e-03] [ 1.50997267e-10 1.91370649e-04 -4.59780843e-03] [ 6.87543123e-10 -1.91370317e-04 4.59780844e-03]] Final stress: [ 1.29928078e-04 -1.97045097e-05 3.12600908e-06 -1.27672064e-03 -1.59326817e-13 -2.64538072e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.62351298e-10 6.46355069e-03 -1.08215726e-03] [-1.28884014e-09 3.17690377e-03 1.33681424e-03] [-2.44336275e-09 -3.17690430e-03 -1.33681767e-03] [-8.84644429e-10 -6.46355119e-03 1.08216046e-03] [ 8.48176892e-10 6.46355086e-03 -1.08216076e-03] [ 2.48490529e-09 3.17690397e-03 1.33681900e-03] [ 1.25282746e-09 -3.17690407e-03 -1.33681409e-03] [ 9.03629399e-10 -6.46355100e-03 1.08215577e-03] [-1.27758449e-09 -1.13741058e-05 -3.77769579e-03] [-2.95791750e-10 1.13766295e-05 3.77769588e-03] [ 7.48112535e-10 -1.13741536e-05 -3.77769582e-03] [ 7.27230025e-10 1.13764641e-05 3.77769589e-03] [-6.63068905e-10 1.71490735e-04 4.59729954e-03] [-5.62426160e-10 -1.71492741e-04 -4.59729944e-03] [ 1.05319347e-09 1.71490943e-04 4.59729953e-03] [ 2.59998892e-10 -1.71492495e-04 -4.59729949e-03]] Final stress: [ 1.29965153e-04 -1.92382956e-05 3.42626159e-06 1.27678918e-03 5.23746950e-12 4.55876366e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.46396879e-09 -3.17295643e-03 1.32612531e-03] [-2.35015983e-09 -6.47109380e-03 -1.08797981e-03] [-2.28301823e-09 6.47109362e-03 1.08797739e-03] [-9.83725682e-10 3.17295626e-03 -1.32612288e-03] [ 9.43467827e-10 -3.17295644e-03 1.32612463e-03] [ 2.30451887e-09 -6.47109385e-03 -1.08797967e-03] [ 2.30984503e-09 6.47109360e-03 1.08797802e-03] [ 1.48564157e-09 3.17295618e-03 -1.32612303e-03] [-1.20771830e-09 -6.95380737e-05 3.77054263e-03] [-4.54546274e-10 6.95392717e-05 -3.77054264e-03] [ 1.04855039e-09 -6.95379161e-05 3.77054267e-03] [ 9.82065010e-10 6.95395971e-05 -3.77054265e-03] [-8.92399111e-10 9.81832638e-05 -4.59350032e-03] [-8.00654472e-10 -9.81842028e-05 4.59350032e-03] [ 1.00195738e-09 9.81833578e-05 -4.59350032e-03] [ 3.60139078e-10 -9.81844239e-05 4.59350034e-03]] Final stress: [ 1.26493631e-04 -2.50628743e-05 1.28166353e-06 -1.27639493e-03 -2.43625420e-12 3.16812334e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-8.11466887e-10 6.46088529e-03 -1.08820522e-03] [-1.01199873e-09 3.18441205e-03 1.32655725e-03] [-1.50418772e-10 -3.18441196e-03 -1.32655369e-03] [-8.27377262e-10 -6.46088518e-03 1.08820144e-03] [ 8.74989056e-10 6.46088509e-03 -1.08820265e-03] [ 1.56800571e-10 3.18441184e-03 1.32655084e-03] [ 1.05953467e-09 -3.18441223e-03 -1.32655631e-03] [ 8.17674991e-10 -6.46088551e-03 1.08820779e-03] [-7.72501065e-10 -8.03382341e-05 -3.76990984e-03] [-1.30772074e-09 8.03388122e-05 3.76990996e-03] [ 5.61662352e-10 -8.03389818e-05 -3.76990977e-03] [ 5.41789759e-10 8.03405146e-05 3.76990992e-03] [-4.54013125e-10 8.48163788e-05 4.59321507e-03] [-4.97691907e-10 -8.48166615e-05 -4.59321495e-03] [ 7.03561180e-10 8.48168549e-05 4.59321504e-03] [ 1.11716376e-09 -8.48180895e-05 -4.59321487e-03]] Final stress: [ 1.26445715e-04 -2.48581924e-05 1.37713039e-06 1.27641320e-03 -3.76363669e-12 -2.69550973e-12] 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. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.45325111e-09 -3.17924609e-03 1.34178915e-03] [-1.54980520e-09 -6.46272220e-03 -1.07778131e-03] [-1.53795720e-09 6.46272215e-03 1.07777919e-03] [ 1.38037231e-10 3.17924604e-03 -1.34178665e-03] [-1.37291828e-10 -3.17924603e-03 1.34178768e-03] [ 1.39584025e-09 -6.46272212e-03 -1.07778145e-03] [ 1.54986739e-09 6.46272215e-03 1.07778065e-03] [ 1.31237929e-09 3.17924602e-03 -1.34178658e-03] [ 9.97019645e-10 -1.44205605e-05 3.77669231e-03] [-8.51418725e-10 1.44207284e-05 -3.77669249e-03] [ 1.16281398e-09 -1.44211998e-05 3.77669236e-03] [ 1.15375323e-09 1.44214088e-05 -3.77669250e-03] [-1.04706062e-09 1.67845990e-04 -4.59674843e-03] [-9.38613263e-10 -1.67846143e-04 4.59674824e-03] [-9.71811228e-10 1.67846447e-04 -4.59674847e-03] [ 7.77506800e-10 -1.67846594e-04 4.59674831e-03]] Final stress: [ 1.30207137e-04 -2.11493723e-05 5.96268602e-06 -1.27678723e-03 -7.13675589e-12 -7.76164735e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-1.09102021e-09 6.47620044e-03 -1.07013479e-03] [ 6.05310034e-10 3.16396342e-03 1.34820862e-03] [ 7.00747015e-10 -3.16396328e-03 -1.34820592e-03] [ 1.16806723e-09 -6.47620031e-03 1.07013232e-03] [-1.17686612e-09 6.47620033e-03 -1.07013444e-03] [-7.91171670e-10 3.16396325e-03 1.34820424e-03] [-6.13732826e-10 -3.16396342e-03 -1.34820639e-03] [ 1.00002975e-09 -6.47620050e-03 1.07013656e-03] [ 8.39173693e-10 1.89504047e-06 -3.77716311e-03] [ 5.33059531e-10 -1.89510786e-06 3.77716301e-03] [-1.94501504e-10 1.89412734e-06 -3.77716305e-03] [ 5.35163547e-10 -1.89386239e-06 3.77716305e-03] [ 9.38996914e-11 1.69805444e-04 4.59691141e-03] [-4.13599726e-10 -1.69805400e-04 -4.59691149e-03] [-8.04248319e-10 1.69806195e-04 4.59691143e-03] [-3.90312781e-10 -1.69806366e-04 -4.59691144e-03]] Final stress: [ 1.30008244e-04 -2.14408467e-05 5.70475653e-06 1.27671790e-03 -1.04626651e-11 2.46501794e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.01130165e-09 -3.17690334e-03 1.32852276e-03] [-2.35015452e-09 -6.46652748e-03 -1.08557885e-03] [-8.68374960e-10 6.46652715e-03 1.08556978e-03] [-2.27832175e-09 3.17690303e-03 -1.32851395e-03] [ 2.27061612e-09 -3.17690318e-03 1.32851879e-03] [ 7.83495375e-10 -6.46652725e-03 -1.08557279e-03] [ 2.34270353e-09 6.46652735e-03 1.08557411e-03] [-1.09504010e-09 3.17690320e-03 -1.32851963e-03] [ 6.27616262e-10 -6.90684782e-05 3.77122857e-03] [-1.27644794e-09 6.90688632e-05 -3.77122854e-03] [ 1.58335969e-09 -6.90673913e-05 3.77122849e-03] [ 6.55675820e-10 6.90693403e-05 -3.77122864e-03] [-1.21122791e-09 9.70033577e-05 -4.59391343e-03] [-7.10578366e-10 -9.70037751e-05 4.59391350e-03] [-4.27529027e-10 9.70026633e-05 -4.59391355e-03] [ 9.42896414e-10 -9.70040496e-05 4.59391337e-03]] Final stress: [ 1.26404317e-04 -2.30501433e-05 -1.28186428e-06 -1.27642204e-03 8.05517934e-12 -1.38749415e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.06222762e-09 6.47725929e-03 -1.08330160e-03] [ 1.68158381e-09 3.16483594e-03 1.33009840e-03] [ 1.87566425e-09 -3.16483571e-03 -1.33009340e-03] [ 4.72442569e-10 -6.47725910e-03 1.08329674e-03] [-4.76908029e-10 6.47725903e-03 -1.08329312e-03] [-1.96313613e-09 3.16483582e-03 1.33009945e-03] [-1.68565759e-09 -3.16483601e-03 -1.33010206e-03] [-1.15048834e-09 -6.47725922e-03 1.08329552e-03] [ 1.16937312e-09 -5.52482522e-05 -3.77191298e-03] [ 9.49280836e-11 5.52488395e-05 3.77191295e-03] [ 1.55062130e-10 -5.52453829e-05 -3.77191293e-03] [ 1.77617623e-10 5.52457628e-05 3.77191298e-03] [-1.57584477e-10 1.09116826e-04 4.59422328e-03] [-2.35656584e-10 -1.09117376e-04 -4.59422333e-03] [-9.60932828e-10 1.09114390e-04 4.59422334e-03] [-5.85383012e-11 -1.09114841e-04 -4.59422325e-03]] Final stress: [ 1.26446005e-04 -2.32473376e-05 -1.38812489e-06 1.27640312e-03 1.75738486e-12 -4.90634637e-12] 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. 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: [[ 4.63454773e-11 -1.32836176e-03 1.18047717e-03] [-2.09441068e-10 -7.88597406e-03 -6.86562321e-04] [ 7.10337360e-10 7.88597388e-03 6.86559481e-04] [-1.17572627e-09 1.32836158e-03 -1.18047426e-03] [ 1.17330685e-09 -1.32836167e-03 1.18047629e-03] [-7.21691281e-10 -7.88597393e-03 -6.86558565e-04] [ 2.07073504e-10 7.88597397e-03 6.86560295e-04] [-5.76595575e-11 1.32836172e-03 -1.18047803e-03] [ 3.36897269e-10 -6.10527305e-05 3.86753006e-03] [-4.05773678e-10 6.10534261e-05 -3.86753008e-03] [ 4.64231264e-10 -6.10519502e-05 3.86753008e-03] [-1.58964949e-10 6.10524444e-05 -3.86753008e-03] [-3.36212950e-10 2.67107050e-04 -4.65524213e-03] [ 7.44488511e-11 -2.67107650e-04 4.65524209e-03] [-2.32230267e-10 2.67106458e-04 -4.65524210e-03] [ 2.85049109e-10 -2.67106765e-04 4.65524209e-03]] Final stress: [ 8.81346588e-05 -7.48671242e-05 -4.14709547e-05 -1.25892911e-03 1.35261363e-12 -6.63519210e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-9.09595628e-10 7.86990187e-03 -6.83446802e-04] [ 1.57792986e-10 1.34902632e-03 1.18698378e-03] [ 8.47150135e-10 -1.34902635e-03 -1.18698341e-03] [ 1.76181286e-10 -7.86990189e-03 6.83446522e-04] [-1.57878197e-10 7.86990182e-03 -6.83446004e-04] [-8.50084579e-10 1.34902632e-03 1.18698410e-03] [-1.39570414e-10 -1.34902636e-03 -1.18698419e-03] [ 9.06716519e-10 -7.86990189e-03 6.83446191e-04] [-2.04245010e-10 -6.38016757e-05 -3.86649562e-03] [-1.76240456e-10 6.38020723e-05 3.86649556e-03] [-9.78724048e-11 -6.38013667e-05 -3.86649563e-03] [ 2.00759815e-10 6.38015182e-05 3.86649558e-03] [ 6.94240650e-11 2.50834733e-04 4.65493881e-03] [-1.70786241e-10 -2.50835053e-04 -4.65493885e-03] [ 1.73816946e-10 2.50834489e-04 4.65493881e-03] [ 1.74439756e-10 -2.50834549e-04 -4.65493886e-03]] Final stress: [ 8.83201358e-05 -7.43517992e-05 -4.11602241e-05 1.25912372e-03 -7.89335051e-12 1.53566255e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.95267838e-03 -2.28351078e-03 1.74032516e-04] [ 5.95573653e-03 -6.74864684e-03 -1.00105283e-04] [-5.95573657e-03 6.74864689e-03 1.00106561e-04] [-5.95267840e-03 2.28351083e-03 -1.74033573e-04] [ 5.95267840e-03 -2.28351087e-03 1.74033362e-04] [ 5.95573657e-03 -6.74864691e-03 -1.00106769e-04] [-5.95573653e-03 6.74864686e-03 1.00105714e-04] [-5.95267838e-03 2.28351081e-03 -1.74032109e-04] [-2.75978381e-06 4.80958807e-04 4.20548362e-03] [ 2.75977807e-06 -4.80958854e-04 -4.20548374e-03] [-2.75975901e-06 4.80958603e-04 4.20548360e-03] [ 2.75981659e-06 -4.80958773e-04 -4.20548370e-03] [ 8.99388740e-07 4.77780779e-04 -4.28815168e-03] [-8.99440177e-07 -4.77780687e-04 4.28815159e-03] [ 8.99411508e-07 4.77780881e-04 -4.28815167e-03] [-8.99408055e-07 -4.77780746e-04 4.28815156e-03]] Final stress: [ 1.20047223e-04 -3.33738318e-05 -2.93132437e-06 -1.27219434e-03 1.06071384e-04 5.22346784e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.95682891e-03 -2.28506372e-03 1.73718005e-04] [-5.95988948e-03 -6.74732214e-03 -1.00636850e-04] [ 5.95988946e-03 6.74732208e-03 1.00636217e-04] [ 5.95682901e-03 2.28506366e-03 -1.73717180e-04] [-5.95682901e-03 -2.28506366e-03 1.73716986e-04] [-5.95988947e-03 -6.74732207e-03 -1.00636265e-04] [ 5.95988948e-03 6.74732214e-03 1.00637134e-04] [ 5.95682891e-03 2.28506374e-03 -1.73717836e-04] [ 2.76182470e-06 4.86284715e-04 4.20575973e-03] [-2.76177429e-06 -4.86284601e-04 -4.20575981e-03] [ 2.76176003e-06 4.86284439e-04 4.20575975e-03] [-2.76176261e-06 -4.86284543e-04 -4.20575980e-03] [-9.00033337e-07 4.81015674e-04 -4.28828959e-03] [ 9.00036125e-07 -4.81015731e-04 4.28828951e-03] [-9.00087339e-07 4.81015851e-04 -4.28828955e-03] [ 9.00046735e-07 -4.81015827e-04 4.28828954e-03]] Final stress: [ 1.20171356e-04 -3.32569930e-05 -2.80524653e-06 -1.27223582e-03 -1.06145232e-04 -5.22719509e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 5.95470974e-03 6.75225256e-03 -9.89967133e-05] [ 5.95165226e-03 2.27945707e-03 1.74978045e-04] [-5.95165222e-03 -2.27945704e-03 -1.74976722e-04] [-5.95470978e-03 -6.75225251e-03 9.89954398e-05] [ 5.95470978e-03 6.75225247e-03 -9.89950020e-05] [ 5.95165222e-03 2.27945700e-03 1.74977318e-04] [-5.95165226e-03 -2.27945715e-03 -1.74978558e-04] [-5.95470974e-03 -6.75225259e-03 9.89961777e-05] [ 2.75913073e-06 4.86456589e-04 -4.20570197e-03] [-2.75924721e-06 -4.86456482e-04 4.20570195e-03] [ 2.75930733e-06 4.86456979e-04 -4.20570191e-03] [-2.75918333e-06 -4.86456762e-04 4.20570194e-03] [-8.99269275e-07 4.81191071e-04 4.28826452e-03] [ 8.99159578e-07 -4.81191133e-04 -4.28826452e-03] [-8.99107443e-07 4.81190773e-04 4.28826455e-03] [ 8.99216062e-07 -4.81190855e-04 -4.28826453e-03]] Final stress: [ 1.20053426e-04 -3.34314186e-05 -2.96294996e-06 1.27218672e-03 1.06053136e-04 -5.22251794e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-5.94562354e-03 6.76151604e-03 -9.58187741e-05] [-5.94257106e-03 2.26899030e-03 1.77571226e-04] [ 5.94257113e-03 -2.26899031e-03 -1.77570640e-04] [ 5.94562351e-03 -6.76151604e-03 9.58182555e-05] [-5.94562351e-03 6.76151603e-03 -9.58178992e-05] [-5.94257114e-03 2.26899031e-03 1.77571011e-04] [ 5.94257107e-03 -2.26899031e-03 -1.77571517e-04] [ 5.94562353e-03 -6.76151603e-03 9.58184618e-05] [-2.75481047e-06 4.95480818e-04 -4.20608785e-03] [ 2.75480082e-06 -4.95480606e-04 4.20608780e-03] [-2.75486593e-06 4.95480911e-04 -4.20608784e-03] [ 2.75497405e-06 -4.95481084e-04 4.20608781e-03] [ 8.97762646e-07 4.88474631e-04 4.28845217e-03] [-8.97857876e-07 -4.88474734e-04 -4.28845219e-03] [ 8.97716327e-07 4.88474494e-04 4.28845216e-03] [-8.97702357e-07 -4.88474422e-04 -4.28845218e-03]] Final stress: [ 1.20024680e-04 -3.36480791e-05 -3.12483657e-06 1.27214694e-03 -1.05891579e-04 5.21472989e-08] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.01134138 -0.00236165 0.00034095] [ 0.01135283 -0.00672583 -0.00028367] [-0.01135283 0.00672583 0.00028367] [ 0.01134137 0.00236165 -0.00034095] [-0.01134137 -0.00236165 0.00034095] [ 0.01135283 -0.00672583 -0.00028367] [-0.01135283 0.00672583 0.00028367] [ 0.01134138 0.00236165 -0.00034095] [-0.00565755 0.00046486 0.00411877] [ 0.00565755 -0.00046486 -0.00411877] [-0.00565755 0.00046486 0.00411877] [ 0.00565755 -0.00046486 -0.00411877] [ 0.00266194 0.00046703 -0.00432179] [-0.00266194 -0.00046703 0.00432179] [ 0.00266194 0.00046703 -0.00432179] [-0.00266194 -0.00046703 0.00432179]] Final stress: [ 1.20870803e-04 -3.19422765e-05 -1.80352811e-06 -1.26724425e-03 -1.55182299e-07 7.26839838e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.01134347 -0.00236887 0.00033994] [-0.01135492 -0.00671945 -0.00028511] [ 0.01135492 0.00671945 0.00028511] [-0.01134347 0.00236887 -0.00033994] [ 0.01134347 -0.00236887 0.00033994] [-0.01135492 -0.00671945 -0.00028511] [ 0.01135492 0.00671945 0.00028511] [-0.01134347 0.00236887 -0.00033994] [ 0.00565849 0.00046204 0.00411869] [-0.00565849 -0.00046204 -0.00411869] [ 0.00565849 0.00046204 0.00411869] [-0.00565849 -0.00046204 -0.00411869] [-0.00266258 0.00046429 -0.00432175] [ 0.00266257 -0.00046429 0.00432175] [-0.00266258 0.00046429 -0.00432175] [ 0.00266258 -0.00046429 0.00432175]] Final stress: [ 1.20966262e-04 -3.17547789e-05 -1.65330978e-06 -1.26729066e-03 1.55195220e-07 -7.27065178e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-0.01135997 0.00671413 -0.00028774] [ 0.01134851 0.0023749 0.00033774] [-0.01134851 -0.0023749 -0.00033774] [ 0.01135997 -0.00671413 0.00028774] [-0.01135997 0.00671413 -0.00028774] [ 0.01134851 0.0023749 0.00033774] [-0.01134851 -0.0023749 -0.00033774] [ 0.01135997 -0.00671413 0.00028774] [-0.00566056 0.00045683 -0.00411846] [ 0.00566056 -0.00045683 0.00411846] [-0.00566056 0.00045683 -0.00411846] [ 0.00566056 -0.00045683 0.00411846] [ 0.00266376 0.00046072 0.00432165] [-0.00266376 -0.00046072 -0.00432165] [ 0.00266376 0.00046072 0.00432165] [-0.00266376 -0.00046072 -0.00432165]] Final stress: [ 1.20985563e-04 -3.16251690e-05 -1.54548224e-06 1.26731338e-03 1.55233551e-07 7.27502922e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 0.0113531 0.00672134 -0.0002884 ] [-0.01134165 0.00236671 0.00033642] [ 0.01134165 -0.00236671 -0.00033642] [-0.0113531 -0.00672134 0.0002884 ] [ 0.0113531 0.00672134 -0.0002884 ] [-0.01134165 0.00236671 0.00033642] [ 0.01134165 -0.00236671 -0.00033642] [-0.0113531 -0.00672134 0.0002884 ] [ 0.00565779 0.000455 -0.00411847] [-0.00565779 -0.000455 0.00411847] [ 0.00565779 0.000455 -0.00411847] [-0.00565779 -0.000455 0.00411847] [-0.00266213 0.00046457 0.00432164] [ 0.00266213 -0.00046457 -0.00432164] [-0.00266213 0.00046457 0.00432164] [ 0.00266213 -0.00046457 -0.00432164]] Final stress: [ 1.20845218e-04 -3.18864094e-05 -1.74221560e-06 1.26725175e-03 -1.55184856e-07 -7.26887249e-05] 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. Minimization converged after 5 steps. Minimization converged after 5 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]: [[ 14.68116 2.8453 3.82934 -0.00029 -0. 0. ] [ 2.8453 11.19062 2.68317 0.0027 0.00001 0.00001] [ 3.82934 2.68317 14.5378 -0. -0. 0. ] [ -0.00029 0.0027 -0. 384772.01238 0.00367 -0. ] [ -0. 0.00001 -0. 0.00367 0.3436 -0.00002] [ 0. 0.00001 0. -0. -0.00002 -0.66698]] 95%% Error estimate [ASE units]: [[ 0.00028 0.00002 0.00005 0.04762 0.00004 0.00006] [ 0.00002 0.0001 0.00009 0.22357 0.00019 0.00003] [ 0.00005 0.00009 0.00018 0.00384 0.00003 0.00014] [ 0.04762 0.22357 0.00384 6865909.6658 0.30764 0.00012] [ 0.00004 0.00019 0.00003 0.30764 0.00001 0.00007] [ 0.00006 0.00003 0.00014 0.00012 0.00007 0.00003]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 3432954.832900 is too big compared to maximum elastic constant component 384772.012378 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.003672 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 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. 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 7 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.83246983e-12 -5.74921141e+00 -5.99191131e+00] [-8.15055900e-12 -2.10838612e+00 -1.26791453e+00] [-1.84742228e-12 2.10838612e+00 1.26791453e+00] [-6.93795629e-12 5.74921141e+00 5.99191131e+00] [ 6.77865966e-12 -5.74921141e+00 -5.99191131e+00] [ 3.06058217e-12 -2.10838612e+00 -1.26791453e+00] [ 6.67467058e-12 2.10838612e+00 1.26791453e+00] [-1.79659000e-12 5.74921141e+00 5.99191131e+00] [-2.83730136e-12 -3.64333116e+00 -2.89892840e+00] [-1.84441438e-12 3.64333116e+00 2.89892840e+00] [ 2.08166286e-12 -3.64333116e+00 -2.89892840e+00] [-1.01023313e-12 3.64333116e+00 2.89892840e+00] [ 7.80353213e-13 -2.26290741e+00 1.15427633e+00] [ 1.03745446e-12 2.26290741e+00 -1.15427633e+00] [ 1.72158116e-12 -2.26290741e+00 1.15427633e+00] [ 4.58701274e-13 2.26290741e+00 -1.15427633e+00]] Final stress: [ 9.36114141e-04 9.32979785e-02 3.32566444e-02 -5.38201633e-01 3.48496283e-14 -1.24278166e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.32461142e-14 2.10838612e+00 -1.26791453e+00] [-6.70420316e-12 5.74921141e+00 -5.99191131e+00] [-2.50857711e-12 -5.74921141e+00 5.99191131e+00] [-7.05643616e-12 -2.10838612e+00 1.26791453e+00] [ 6.37805227e-12 2.10838612e+00 -1.26791453e+00] [ 2.61392470e-12 5.74921141e+00 -5.99191131e+00] [ 6.46074221e-12 -5.74921141e+00 5.99191131e+00] [ 1.71158985e-12 -2.10838612e+00 1.26791453e+00] [-1.50579939e-12 -3.64333116e+00 2.89892840e+00] [-4.68760447e-13 3.64333116e+00 -2.89892840e+00] [ 6.05919937e-13 -3.64333116e+00 2.89892840e+00] [-3.16715664e-12 3.64333116e+00 -2.89892840e+00] [ 9.22906716e-13 -2.26290741e+00 -1.15427633e+00] [ 2.16069743e-12 2.26290741e+00 1.15427633e+00] [ 7.48061349e-13 -2.26290741e+00 -1.15427633e+00] [-1.49087936e-13 2.26290741e+00 1.15427633e+00]] Final stress: [ 9.36114141e-04 9.32979785e-02 3.32566444e-02 5.38201633e-01 -6.38387117e-15 -1.60494585e-14] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 21 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 8 steps. Minimization converged after 8 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.14104292 -1.26718439 -0.21304979] [-0.27754915 -1.46504656 -0.36259509] [ 0.27754915 1.46504656 0.36259509] [ 0.14104292 1.26718439 0.21304979] [-0.14104292 -1.26718439 -0.21304979] [-0.27754915 -1.46504656 -0.36259509] [ 0.27754915 1.46504656 0.36259509] [ 0.14104292 1.26718439 0.21304979] [ 0.0736064 -0.4720262 -0.64669385] [-0.0736064 0.4720262 0.64669385] [ 0.0736064 -0.4720262 -0.64669385] [-0.0736064 0.4720262 0.64669385] [-0.02727699 0.14602384 -0.10326659] [ 0.02727699 -0.14602384 0.10326659] [-0.02727699 0.14602384 -0.10326659] [ 0.02727699 -0.14602384 0.10326659]] Final stress: [ 0.00953998 0.00636196 -0.00328119 -0.15140565 -0.00275026 0.00041404] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.14104292 -1.26718439 -0.21304979] [ 0.27754915 -1.46504656 -0.36259509] [-0.27754915 1.46504656 0.36259509] [-0.14104292 1.26718439 0.21304979] [ 0.14104292 -1.26718439 -0.21304979] [ 0.27754915 -1.46504656 -0.36259509] [-0.27754915 1.46504656 0.36259509] [-0.14104292 1.26718439 0.21304979] [-0.0736064 -0.4720262 -0.64669385] [ 0.0736064 0.4720262 0.64669385] [-0.0736064 -0.4720262 -0.64669385] [ 0.0736064 0.4720262 0.64669385] [ 0.02727699 0.14602384 -0.10326659] [-0.02727699 -0.14602384 0.10326659] [ 0.02727699 0.14602384 -0.10326659] [-0.02727699 -0.14602384 0.10326659]] Final stress: [ 0.00953998 0.00636196 -0.00328119 -0.15140565 0.00275026 -0.00041404] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.27754915 1.46504656 -0.36259509] [-0.14104292 1.26718439 -0.21304979] [ 0.14104292 -1.26718439 0.21304979] [ 0.27754915 -1.46504656 0.36259509] [-0.27754915 1.46504656 -0.36259509] [-0.14104292 1.26718439 -0.21304979] [ 0.14104292 -1.26718439 0.21304979] [ 0.27754915 -1.46504656 0.36259509] [-0.0736064 -0.4720262 0.64669385] [ 0.0736064 0.4720262 -0.64669385] [-0.0736064 -0.4720262 0.64669385] [ 0.0736064 0.4720262 -0.64669385] [ 0.02727699 0.14602384 0.10326659] [-0.02727699 -0.14602384 -0.10326659] [ 0.02727699 0.14602384 0.10326659] [-0.02727699 -0.14602384 -0.10326659]] Final stress: [ 0.00953998 0.00636196 -0.00328119 0.15140565 -0.00275026 -0.00041404] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.27754915 1.46504656 -0.36259509] [ 0.14104292 1.26718439 -0.21304979] [-0.14104292 -1.26718439 0.21304979] [-0.27754915 -1.46504656 0.36259509] [ 0.27754915 1.46504656 -0.36259509] [ 0.14104292 1.26718439 -0.21304979] [-0.14104292 -1.26718439 0.21304979] [-0.27754915 -1.46504656 0.36259509] [ 0.0736064 -0.4720262 0.64669385] [-0.0736064 0.4720262 -0.64669385] [ 0.0736064 -0.4720262 0.64669385] [-0.0736064 0.4720262 -0.64669385] [-0.02727699 0.14602384 0.10326659] [ 0.02727699 -0.14602384 -0.10326659] [-0.02727699 0.14602384 0.10326659] [ 0.02727699 -0.14602384 -0.10326659]] Final stress: [ 0.00953998 0.00636196 -0.00328119 0.15140565 0.00275026 0.00041404] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.03235631 -1.5918907 -0.35435615] [ 3.3991295 -1.95843149 -0.44711597] [-3.3991295 1.95843149 0.44711597] [ 3.03235631 1.5918907 0.35435615] [-3.03235631 -1.5918907 -0.35435615] [ 3.3991295 -1.95843149 -0.44711597] [-3.3991295 1.95843149 0.44711597] [ 3.03235631 1.5918907 0.35435615] [ 0.29837085 -0.8947502 -0.91948971] [-0.29837085 0.8947502 0.91948971] [ 0.29837085 -0.8947502 -0.91948971] [-0.29837085 0.8947502 0.91948971] [-1.37064299 0.26543675 -0.10025528] [ 1.37064299 -0.26543675 0.10025528] [-1.37064299 0.26543675 -0.10025528] [ 1.37064299 -0.26543675 0.10025528]] Final stress: [ 0.00045646 0.01002454 -0.01195893 -0.21497651 -0.01417251 -0.02911183] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.03235631 -1.5918907 -0.35435615] [-3.3991295 -1.95843149 -0.44711597] [ 3.3991295 1.95843149 0.44711597] [-3.03235631 1.5918907 0.35435615] [ 3.03235631 -1.5918907 -0.35435615] [-3.3991295 -1.95843149 -0.44711597] [ 3.3991295 1.95843149 0.44711597] [-3.03235631 1.5918907 0.35435615] [-0.29837085 -0.8947502 -0.91948971] [ 0.29837085 0.8947502 0.91948971] [-0.29837085 -0.8947502 -0.91948971] [ 0.29837085 0.8947502 0.91948971] [ 1.37064299 0.26543675 -0.10025528] [-1.37064299 -0.26543675 0.10025528] [ 1.37064299 0.26543675 -0.10025528] [-1.37064299 -0.26543675 0.10025528]] Final stress: [ 0.00045646 0.01002454 -0.01195893 -0.21497651 0.01417251 0.02911183] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.3991295 1.95843149 -0.44711597] [ 3.03235631 1.5918907 -0.35435615] [-3.03235631 -1.5918907 0.35435615] [ 3.3991295 -1.95843149 0.44711597] [-3.3991295 1.95843149 -0.44711597] [ 3.03235631 1.5918907 -0.35435615] [-3.03235631 -1.5918907 0.35435615] [ 3.3991295 -1.95843149 0.44711597] [ 0.29837085 -0.8947502 0.91948971] [-0.29837085 0.8947502 -0.91948971] [ 0.29837085 -0.8947502 0.91948971] [-0.29837085 0.8947502 -0.91948971] [-1.37064299 0.26543675 0.10025528] [ 1.37064299 -0.26543675 -0.10025528] [-1.37064299 0.26543675 0.10025528] [ 1.37064299 -0.26543675 -0.10025528]] Final stress: [ 0.00045646 0.01002454 -0.01195893 0.21497651 0.01417251 -0.02911183] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.3991295 1.95843149 -0.44711597] [-3.03235631 1.5918907 -0.35435615] [ 3.03235631 -1.5918907 0.35435615] [-3.3991295 -1.95843149 0.44711597] [ 3.3991295 1.95843149 -0.44711597] [-3.03235631 1.5918907 -0.35435615] [ 3.03235631 -1.5918907 0.35435615] [-3.3991295 -1.95843149 0.44711597] [-0.29837085 -0.8947502 0.91948971] [ 0.29837085 0.8947502 -0.91948971] [-0.29837085 -0.8947502 0.91948971] [ 0.29837085 0.8947502 -0.91948971] [ 1.37064299 0.26543675 0.10025528] [-1.37064299 -0.26543675 -0.10025528] [ 1.37064299 0.26543675 0.10025528] [-1.37064299 -0.26543675 -0.10025528]] Final stress: [ 0.00045646 0.01002454 -0.01195893 0.21497651 -0.01417251 0.02911183] Minimization converged after 6 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.34030763 0.64609096 0.44409279] [ 1.28162488 0.06695233 -2.47387646] [-1.28162488 -0.06695233 2.47387646] [ 0.34030763 -0.64609096 -0.44409279] [-0.34030763 0.64609096 0.44409279] [ 1.28162488 0.06695233 -2.47387646] [-1.28162488 -0.06695233 2.47387646] [ 0.34030763 -0.64609096 -0.44409279] [ 0.64740668 1.03869861 -3.06236696] [-0.64740668 -1.03869861 3.06236696] [ 0.64740668 1.03869861 -3.06236696] [-0.64740668 -1.03869861 3.06236696] [-0.85422542 1.44150075 -1.59366369] [ 0.85422542 -1.44150075 1.59366369] [-0.85422542 1.44150075 -1.59366369] [ 0.85422542 -1.44150075 1.59366369]] Final stress: [ 0.03628824 -0.0061475 0.03076538 0.2432999 0.01164175 -0.0184966 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 1.28162784 -0.06695202 -2.4738719 ] [-0.34031022 -0.64609041 0.4440973 ] [ 0.34031022 0.64609041 -0.4440973 ] [-1.28162784 0.06695202 2.4738719 ] [ 1.28162784 -0.06695202 -2.4738719 ] [-0.34031022 -0.64609041 0.4440973 ] [ 0.34031022 0.64609041 -0.4440973 ] [-1.28162784 0.06695202 2.4738719 ] [-0.64740726 1.03870051 3.06236638] [ 0.64740726 -1.03870051 -3.06236638] [-0.64740726 1.03870051 3.06236638] [ 0.64740726 -1.03870051 -3.06236638] [ 0.85422644 1.44149861 1.5936629 ] [-0.85422644 -1.44149861 -1.5936629 ] [ 0.85422644 1.44149861 1.5936629 ] [-0.85422644 -1.44149861 -1.5936629 ]] Final stress: [ 0.03628825 -0.00614749 0.03076533 -0.24329985 0.01164176 0.0184966 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.28162458 -0.06695236 -2.47387693] [ 0.34030736 -0.64609101 0.44409231] [-0.34030736 0.64609101 -0.44409231] [ 1.28162457 0.06695236 2.47387693] [-1.28162457 -0.06695236 -2.47387693] [ 0.34030736 -0.64609101 0.44409231] [-0.34030736 0.64609101 -0.44409231] [ 1.28162458 0.06695236 2.47387693] [ 0.6474066 1.0386984 3.062367 ] [-0.6474066 -1.0386984 -3.062367 ] [ 0.6474066 1.0386984 3.062367 ] [-0.6474066 -1.0386984 -3.062367 ] [-0.8542253 1.44150097 1.59366376] [ 0.8542253 -1.44150097 -1.59366376] [-0.8542253 1.44150097 1.59366376] [ 0.8542253 -1.44150097 -1.59366376]] Final stress: [ 0.03628824 -0.0061475 0.03076539 -0.2432999 -0.01164175 -0.01849659] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.34030831 0.64609082 0.44409398] [-1.28162567 0.06695224 -2.47387528] [ 1.28162567 -0.06695224 2.47387528] [-0.34030832 -0.64609082 -0.44409398] [ 0.34030831 0.64609082 0.44409398] [-1.28162567 0.06695224 -2.47387528] [ 1.28162567 -0.06695224 2.47387528] [-0.34030831 -0.64609082 -0.44409398] [-0.64740683 1.03869912 -3.06236683] [ 0.64740683 -1.03869912 3.06236683] [-0.64740683 1.03869912 -3.06236683] [ 0.64740683 -1.03869912 3.06236683] [ 0.85422569 1.44150021 -1.59366349] [-0.85422569 -1.44150021 1.59366349] [ 0.85422569 1.44150021 -1.59366349] [-0.85422569 -1.44150021 1.59366349]] Final stress: [ 0.03628824 -0.0061475 0.03076537 0.24329989 -0.01164175 0.0184966 ] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.33115154e-12 -3.55952755e+00 -2.99781736e+00] [-7.66745847e-12 -1.43389130e+00 -1.31457352e+00] [-6.84127657e-12 1.43389130e+00 1.31457352e+00] [-3.47127882e-12 3.55952755e+00 2.99781736e+00] [ 3.28720406e-12 -3.55952755e+00 -2.99781736e+00] [ 7.52586708e-12 -1.43389130e+00 -1.31457352e+00] [ 7.37883637e-12 1.43389130e+00 1.31457352e+00] [ 5.48575942e-12 3.55952755e+00 2.99781736e+00] [-8.73810464e-12 -9.78871365e-01 -1.26505221e+00] [-3.15406468e-12 9.78871365e-01 1.26505221e+00] [ 3.69486278e-12 -9.78871365e-01 -1.26505221e+00] [ 2.58237745e-12 9.78871365e-01 1.26505221e+00] [-2.56317146e-12 -2.13864492e+00 1.38494027e-01] [-1.62411886e-12 2.13864492e+00 -1.38494027e-01] [ 7.06304332e-12 -2.13864492e+00 1.38494027e-01] [ 2.36283370e-12 2.13864492e+00 -1.38494027e-01]] Final stress: [-1.85050403e-02 6.17067526e-02 3.91779088e-02 -3.20736592e-01 -9.15978564e-15 1.88489004e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.15020382e-12 1.43389130e+00 -1.31457352e+00] [-8.75507284e-12 3.55952755e+00 -2.99781736e+00] [-3.00864986e-12 -3.55952755e+00 2.99781736e+00] [-7.14966454e-12 -1.43389130e+00 1.31457352e+00] [ 7.51479684e-12 1.43389130e+00 -1.31457352e+00] [ 2.99510460e-12 3.55952755e+00 -2.99781736e+00] [ 8.74080647e-12 -3.55952755e+00 2.99781736e+00] [ 8.60879814e-12 -1.43389130e+00 1.31457352e+00] [-6.19247514e-12 -9.78871365e-01 1.26505221e+00] [-5.31018285e-12 9.78871365e-01 -1.26505221e+00] [ 3.57894064e-12 -9.78871365e-01 1.26505221e+00] [ 2.93727369e-12 9.78871365e-01 -1.26505221e+00] [-2.57416354e-12 -2.13864492e+00 -1.38494027e-01] [-2.13183721e-12 2.13864492e+00 1.38494027e-01] [ 4.91117062e-12 -2.13864492e+00 -1.38494027e-01] [ 3.98456813e-12 2.13864492e+00 1.38494027e-01]] Final stress: [-1.85050403e-02 6.17067526e-02 3.91779088e-02 3.20736592e-01 -3.07965945e-14 -4.03299808e-15] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 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 9 steps. Minimization converged after 9 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.10136118 -0.81505091 -0.05281327] [-0.15447235 -0.89141308 -0.13897588] [ 0.15447235 0.89141308 0.13897588] [ 0.10136118 0.81505091 0.05281327] [-0.10136118 -0.81505091 -0.05281327] [-0.15447235 -0.89141308 -0.13897588] [ 0.15447235 0.89141308 0.13897588] [ 0.10136118 0.81505091 0.05281327] [ 0.02719634 -0.1569118 -0.37728388] [-0.02719634 0.1569118 0.37728388] [ 0.02719634 -0.1569118 -0.37728388] [-0.02719634 0.1569118 0.37728388] [-0.01223947 0.02673331 -0.07857235] [ 0.01223947 -0.02673331 0.07857235] [-0.01223947 0.02673331 -0.07857235] [ 0.01223947 -0.02673331 0.07857235]] Final stress: [ 3.55230727e-03 2.91853129e-03 -1.08017958e-03 -9.43385801e-02 -1.79861104e-03 8.36940883e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.10136118 -0.81505091 -0.05281327] [ 0.15447234 -0.89141308 -0.13897588] [-0.15447234 0.89141308 0.13897588] [-0.10136118 0.81505091 0.05281327] [ 0.10136118 -0.81505091 -0.05281327] [ 0.15447234 -0.89141308 -0.13897588] [-0.15447234 0.89141308 0.13897588] [-0.10136118 0.81505091 0.05281327] [-0.02719634 -0.1569118 -0.37728388] [ 0.02719634 0.1569118 0.37728388] [-0.02719634 -0.1569118 -0.37728388] [ 0.02719634 0.1569118 0.37728388] [ 0.01223947 0.02673331 -0.07857235] [-0.01223947 -0.02673331 0.07857235] [ 0.01223947 0.02673331 -0.07857235] [-0.01223947 -0.02673331 0.07857235]] Final stress: [ 3.55230727e-03 2.91853128e-03 -1.08017958e-03 -9.43385801e-02 1.79861103e-03 -8.36940884e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.15447234 0.89141308 -0.13897588] [-0.10136118 0.81505091 -0.05281327] [ 0.10136118 -0.81505091 0.05281327] [ 0.15447234 -0.89141308 0.13897588] [-0.15447234 0.89141308 -0.13897588] [-0.10136118 0.81505091 -0.05281327] [ 0.10136118 -0.81505091 0.05281327] [ 0.15447234 -0.89141308 0.13897588] [-0.02719634 -0.1569118 0.37728388] [ 0.02719634 0.1569118 -0.37728388] [-0.02719634 -0.1569118 0.37728388] [ 0.02719634 0.1569118 -0.37728388] [ 0.01223947 0.02673331 0.07857235] [-0.01223947 -0.02673331 -0.07857235] [ 0.01223947 0.02673331 0.07857235] [-0.01223947 -0.02673331 -0.07857235]] Final stress: [ 3.55230728e-03 2.91853128e-03 -1.08017958e-03 9.43385801e-02 -1.79861101e-03 -8.36940886e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.15447235 0.89141308 -0.13897588] [ 0.10136118 0.81505091 -0.05281327] [-0.10136118 -0.81505091 0.05281327] [-0.15447235 -0.89141308 0.13897588] [ 0.15447235 0.89141308 -0.13897588] [ 0.10136118 0.81505091 -0.05281327] [-0.10136118 -0.81505091 0.05281327] [-0.15447235 -0.89141308 0.13897588] [ 0.02719634 -0.1569118 0.37728388] [-0.02719634 0.1569118 -0.37728388] [ 0.02719634 -0.1569118 0.37728388] [-0.02719634 0.1569118 -0.37728388] [-0.01223947 0.02673331 0.07857235] [ 0.01223947 -0.02673331 -0.07857235] [-0.01223947 0.02673331 0.07857235] [ 0.01223947 -0.02673331 -0.07857235]] Final stress: [ 3.55230727e-03 2.91853129e-03 -1.08017958e-03 9.43385801e-02 1.79861104e-03 8.36940884e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.17879905 -1.14376862 -0.11348558] [ 2.36194373 -1.3120305 -0.1850287 ] [-2.36194373 1.3120305 0.1850287 ] [ 2.17879905 1.14376862 0.11348558] [-2.17879905 -1.14376862 -0.11348558] [ 2.36194373 -1.3120305 -0.1850287 ] [-2.36194373 1.3120305 0.1850287 ] [ 2.17879905 1.14376862 0.11348558] [ 0.28086421 -0.39120889 -0.57433613] [-0.28086421 0.39120889 0.57433613] [ 0.28086421 -0.39120889 -0.57433613] [-0.28086421 0.39120889 0.57433613] [-0.95487928 0.08842922 -0.09830557] [ 0.95487928 -0.08842922 0.09830557] [-0.95487928 0.08842922 -0.09830557] [ 0.95487928 -0.08842922 0.09830557]] Final stress: [ 0.00041224 0.00476588 -0.00673517 -0.14580736 -0.00678169 -0.02006767] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.17879905 -1.14376862 -0.11348558] [-2.36194373 -1.3120305 -0.1850287 ] [ 2.36194373 1.3120305 0.1850287 ] [-2.17879905 1.14376862 0.11348558] [ 2.17879905 -1.14376862 -0.11348558] [-2.36194373 -1.3120305 -0.1850287 ] [ 2.36194373 1.3120305 0.1850287 ] [-2.17879905 1.14376862 0.11348558] [-0.28086421 -0.39120889 -0.57433613] [ 0.28086421 0.39120889 0.57433613] [-0.28086421 -0.39120889 -0.57433613] [ 0.28086421 0.39120889 0.57433613] [ 0.95487928 0.08842922 -0.09830557] [-0.95487928 -0.08842922 0.09830557] [ 0.95487928 0.08842922 -0.09830557] [-0.95487928 -0.08842922 0.09830557]] Final stress: [ 0.00041224 0.00476588 -0.00673517 -0.14580736 0.00678169 0.02006767] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.36194373 1.3120305 -0.1850287 ] [ 2.17879905 1.14376862 -0.11348558] [-2.17879905 -1.14376862 0.11348558] [ 2.36194373 -1.3120305 0.1850287 ] [-2.36194373 1.3120305 -0.1850287 ] [ 2.17879905 1.14376862 -0.11348558] [-2.17879905 -1.14376862 0.11348558] [ 2.36194373 -1.3120305 0.1850287 ] [ 0.28086421 -0.39120889 0.57433613] [-0.28086421 0.39120889 -0.57433613] [ 0.28086421 -0.39120889 0.57433613] [-0.28086421 0.39120889 -0.57433613] [-0.95487928 0.08842922 0.09830557] [ 0.95487928 -0.08842922 -0.09830557] [-0.95487928 0.08842922 0.09830557] [ 0.95487928 -0.08842922 -0.09830557]] Final stress: [ 0.00041224 0.00476588 -0.00673517 0.14580736 0.00678169 -0.02006767] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.36194373 1.3120305 -0.1850287 ] [-2.17879905 1.14376862 -0.11348558] [ 2.17879905 -1.14376862 0.11348558] [-2.36194373 -1.3120305 0.1850287 ] [ 2.36194373 1.3120305 -0.1850287 ] [-2.17879905 1.14376862 -0.11348558] [ 2.17879905 -1.14376862 0.11348558] [-2.36194373 -1.3120305 0.1850287 ] [-0.28086421 -0.39120889 0.57433613] [ 0.28086421 0.39120889 -0.57433613] [-0.28086421 -0.39120889 0.57433613] [ 0.28086421 0.39120889 -0.57433613] [ 0.95487928 0.08842922 0.09830557] [-0.95487928 -0.08842922 -0.09830557] [ 0.95487928 0.08842922 0.09830557] [-0.95487928 -0.08842922 -0.09830557]] Final stress: [ 0.00041224 0.00476588 -0.00673517 0.14580736 -0.00678169 0.02006767] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00474184 0.0024434 0.02743479] [-0.00282546 0.01242837 -0.03771116] [ 0.00282546 -0.01242837 0.03771116] [ 0.00474184 -0.0024434 -0.02743479] [-0.00474184 0.0024434 0.02743479] [-0.00282546 0.01242837 -0.03771116] [ 0.00282546 -0.01242837 0.03771116] [ 0.00474184 -0.0024434 -0.02743479] [-0.0040727 0.01822993 -0.0562996 ] [ 0.0040727 -0.01822993 0.0562996 ] [-0.0040727 0.01822993 -0.0562996 ] [ 0.0040727 -0.01822993 0.0562996 ] [ 0.00267388 0.00032566 -0.02741839] [-0.00267388 -0.00032566 0.02741839] [ 0.00267388 0.00032566 -0.02741839] [-0.00267388 -0.00032566 0.02741839]] Final stress: [ 0.00032457 0.0004769 0.00054943 0.00383365 0.00032423 -0.00081378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00282518 -0.0124283 -0.03771184] [-0.00474201 -0.00244343 0.02743406] [ 0.00474201 0.00244343 -0.02743406] [ 0.00282518 0.0124283 0.03771184] [-0.00282518 -0.0124283 -0.03771184] [-0.00474201 -0.00244343 0.02743406] [ 0.00474201 0.00244343 -0.02743406] [ 0.00282518 0.0124283 0.03771184] [ 0.0040726 0.01822955 0.0562995 ] [-0.0040726 -0.01822955 -0.0562995 ] [ 0.0040726 0.01822955 0.0562995 ] [-0.0040726 -0.01822955 -0.0562995 ] [-0.00267376 0.00032599 0.02741834] [ 0.00267376 -0.00032599 -0.02741834] [-0.00267376 0.00032599 0.02741834] [ 0.00267376 -0.00032599 -0.02741834]] Final stress: [ 0.00032457 0.0004769 0.00054944 -0.00383365 0.00032423 0.00081378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00282548 -0.01242837 -0.03771113] [ 0.00474181 -0.0024434 0.02743482] [-0.00474181 0.0024434 -0.02743482] [-0.00282548 0.01242837 0.03771113] [ 0.00282548 -0.01242837 -0.03771113] [ 0.00474181 -0.0024434 0.02743482] [-0.00474181 0.0024434 -0.02743482] [-0.00282548 0.01242837 0.03771113] [-0.0040727 0.01822995 0.05629961] [ 0.0040727 -0.01822995 -0.05629961] [-0.0040727 0.01822995 0.05629961] [ 0.0040727 -0.01822995 -0.05629961] [ 0.00267388 0.00032564 0.02741839] [-0.00267388 -0.00032564 -0.02741839] [ 0.00267388 0.00032564 0.02741839] [-0.00267388 -0.00032564 -0.02741839]] Final stress: [ 0.00032457 0.0004769 0.00054943 -0.00383365 -0.00032423 -0.00081378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00474196 0.00244342 0.02743424] [ 0.00282525 0.01242832 -0.03771167] [-0.00282525 -0.01242832 0.03771167] [-0.00474196 -0.00244342 -0.02743424] [ 0.00474196 0.00244342 0.02743424] [ 0.00282525 0.01242832 -0.03771167] [-0.00282525 -0.01242832 0.03771167] [-0.00474196 -0.00244342 -0.02743424] [ 0.00407262 0.01822964 -0.05629953] [-0.00407262 -0.01822964 0.05629953] [ 0.00407262 0.01822964 -0.05629953] [-0.00407262 -0.01822964 0.05629953] [-0.00267379 0.00032591 -0.02741835] [ 0.00267379 -0.00032591 0.02741835] [-0.00267379 0.00032591 -0.02741835] [ 0.00267379 -0.00032591 0.02741835]] Final stress: [ 0.00032457 0.0004769 0.00054943 0.00383365 -0.00032423 0.00081378] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.65150151e-12 -2.20262588e+00 -1.48683449e+00] [-9.42114464e-12 -8.64943732e-01 -9.19947650e-01] [-7.27258770e-12 8.64943732e-01 9.19947650e-01] [-2.86025890e-12 2.20262588e+00 1.48683449e+00] [ 2.87138737e-12 -2.20262588e+00 -1.48683449e+00] [ 6.79293254e-12 -8.64943732e-01 -9.19947650e-01] [ 9.21509017e-12 8.64943732e-01 9.19947650e-01] [ 6.52180913e-12 2.20262588e+00 1.48683449e+00] [-1.35372876e-12 -1.49593097e-01 -6.83252888e-01] [-3.26730309e-12 1.49593097e-01 6.83252888e-01] [ 2.87680654e-12 -1.49593097e-01 -6.83252888e-01] [ 4.75246925e-12 1.49593097e-01 6.83252888e-01] [-1.92981091e-12 -1.50420073e+00 -5.29641291e-02] [-3.79058639e-12 1.50420073e+00 5.29641291e-02] [ 9.00675408e-13 -1.50420073e+00 -5.29641291e-02] [ 2.60941106e-12 1.50420073e+00 5.29641291e-02]] Final stress: [-2.07029129e-02 3.64011472e-02 2.97902598e-02 -1.90380817e-01 -2.52604589e-14 3.59021116e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.96862640e-13 8.64943732e-01 -9.19947650e-01] [-1.36509120e-12 2.20262588e+00 -1.48683449e+00] [-5.69216831e-12 -2.20262588e+00 1.48683449e+00] [-5.52834081e-12 -8.64943732e-01 9.19947650e-01] [ 5.82522030e-12 8.64943732e-01 -9.19947650e-01] [ 5.55889406e-12 2.20262588e+00 -1.48683449e+00] [ 1.54756524e-12 -2.20262588e+00 1.48683449e+00] [ 8.19632123e-13 -8.64943732e-01 9.19947650e-01] [-2.02297250e-12 -1.49593097e-01 6.83252888e-01] [-4.43274410e-12 1.49593097e-01 -6.83252888e-01] [ 3.71047366e-12 -1.49593097e-01 6.83252888e-01] [ 3.26567072e-12 1.49593097e-01 -6.83252888e-01] [-3.19159326e-12 -1.50420073e+00 5.29641291e-02] [-2.89511026e-12 1.50420073e+00 -5.29641291e-02] [ 1.82736388e-12 -1.50420073e+00 5.29641291e-02] [ 3.55766759e-12 1.50420073e+00 -5.29641291e-02]] Final stress: [-2.07029129e-02 3.64011472e-02 2.97902598e-02 1.90380817e-01 3.75050742e-14 -9.53513333e-15] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 21 steps. Minimization converged after 21 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 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.50590825e-11 -4.76979899e+00 2.96893967e-04] [ 4.57378193e-11 -5.93000965e+00 -2.05779855e+00] [ 4.56678495e-11 5.93000965e+00 2.05779855e+00] [ 3.20692127e-11 4.76979899e+00 -2.96893904e-04] [-3.53593711e-11 -4.76979899e+00 2.96893984e-04] [-5.17027137e-11 -5.93000965e+00 -2.05779855e+00] [-4.09528529e-11 5.93000965e+00 2.05779855e+00] [-3.02712193e-11 4.76979899e+00 -2.96893994e-04] [ 2.53511366e-11 -9.69220142e-01 -3.96520568e+00] [ 3.27193559e-11 9.69220142e-01 3.96520568e+00] [-2.99737289e-11 -9.69220142e-01 -3.96520568e+00] [-2.75252958e-11 9.69220142e-01 3.96520568e+00] [ 3.81580454e-11 -3.55417038e-01 8.01098046e-01] [ 2.52800358e-11 3.55417039e-01 -8.01098046e-01] [-3.29996141e-11 -3.55417039e-01 8.01098046e-01] [-3.12724601e-11 3.55417039e-01 -8.01098046e-01]] Final stress: [ 3.45614944e-01 9.32214294e-02 -3.61614687e-01 -4.12241920e-01 1.97544380e-14 5.54029027e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 3.94437031e-11 5.93000963e+00 -2.05779854e+00] [ 3.18903380e-11 4.76979900e+00 2.96876311e-04] [ 2.95004944e-11 -4.76979900e+00 -2.96876398e-04] [ 3.80989173e-11 -5.93000963e+00 2.05779854e+00] [-4.09082914e-11 5.93000963e+00 -2.05779854e+00] [-3.15912739e-11 4.76979900e+00 2.96876383e-04] [-2.64166380e-11 -4.76979900e+00 -2.96876400e-04] [-3.89870048e-11 -5.93000963e+00 2.05779854e+00] [ 3.53795641e-11 -9.69220137e-01 3.96520568e+00] [ 2.84259508e-11 9.69220137e-01 -3.96520568e+00] [-3.56688539e-11 -9.69220137e-01 3.96520568e+00] [-2.69262817e-11 9.69220137e-01 -3.96520568e+00] [ 3.52061936e-11 -3.55417052e-01 -8.01098051e-01] [ 3.06861671e-11 3.55417053e-01 8.01098051e-01] [-3.49238342e-11 -3.55417053e-01 -8.01098051e-01] [-3.32119132e-11 3.55417053e-01 8.01098051e-01]] Final stress: [ 3.45614943e-01 9.32214298e-02 -3.61614686e-01 4.12241920e-01 -8.12387760e-15 -6.25637509e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.06866044 -0.51950148 0.00581112] [-0.08969727 -0.54706485 -0.04638461] [ 0.08969727 0.54706485 0.04638461] [ 0.06866044 0.51950148 -0.00581112] [-0.06866044 -0.51950148 0.00581112] [-0.08969727 -0.54706485 -0.04638461] [ 0.08969727 0.54706485 0.04638461] [ 0.06866044 0.51950148 -0.00581112] [ 0.00939197 -0.03465513 -0.228505 ] [-0.00939197 0.03465513 0.228505 ] [ 0.00939197 -0.03465513 -0.228505 ] [-0.00939197 0.03465513 0.228505 ] [-0.00589071 -0.02149505 -0.05231429] [ 0.00589071 0.02149505 0.05231429] [-0.00589071 -0.02149505 -0.05231429] [ 0.00589071 0.02149505 0.05231429]] Final stress: [ 1.10870557e-03 1.43944178e-03 -3.57120464e-04 -5.88678089e-02 -1.14673063e-03 -5.07993652e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.06866044 -0.51950148 0.00581112] [ 0.08969727 -0.54706485 -0.04638461] [-0.08969727 0.54706485 0.04638461] [-0.06866044 0.51950148 -0.00581112] [ 0.06866044 -0.51950148 0.00581112] [ 0.08969727 -0.54706485 -0.04638461] [-0.08969727 0.54706485 0.04638461] [-0.06866044 0.51950148 -0.00581112] [-0.00939197 -0.03465513 -0.228505 ] [ 0.00939197 0.03465513 0.228505 ] [-0.00939197 -0.03465513 -0.228505 ] [ 0.00939197 0.03465513 0.228505 ] [ 0.00589071 -0.02149505 -0.05231429] [-0.00589071 0.02149505 0.05231429] [ 0.00589071 -0.02149505 -0.05231429] [-0.00589071 0.02149505 0.05231429]] Final stress: [ 1.10870557e-03 1.43944178e-03 -3.57120464e-04 -5.88678089e-02 1.14673059e-03 5.07993650e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.08969727 0.54706485 -0.04638461] [-0.06866044 0.51950148 0.00581112] [ 0.06866044 -0.51950148 -0.00581112] [ 0.08969727 -0.54706485 0.04638461] [-0.08969727 0.54706485 -0.04638461] [-0.06866044 0.51950148 0.00581112] [ 0.06866044 -0.51950148 -0.00581112] [ 0.08969727 -0.54706485 0.04638461] [-0.00939197 -0.03465513 0.228505 ] [ 0.00939197 0.03465513 -0.228505 ] [-0.00939197 -0.03465513 0.228505 ] [ 0.00939197 0.03465513 -0.228505 ] [ 0.00589071 -0.02149505 0.05231429] [-0.00589071 0.02149505 -0.05231429] [ 0.00589071 -0.02149505 0.05231429] [-0.00589071 0.02149505 -0.05231429]] Final stress: [ 1.10870557e-03 1.43944178e-03 -3.57120464e-04 5.88678089e-02 -1.14673061e-03 5.07993651e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.08969727 0.54706485 -0.04638461] [ 0.06866044 0.51950148 0.00581112] [-0.06866044 -0.51950148 -0.00581112] [-0.08969727 -0.54706485 0.04638461] [ 0.08969727 0.54706485 -0.04638461] [ 0.06866044 0.51950148 0.00581112] [-0.06866044 -0.51950148 -0.00581112] [-0.08969727 -0.54706485 0.04638461] [ 0.00939197 -0.03465513 0.228505 ] [-0.00939197 0.03465513 -0.228505 ] [ 0.00939197 -0.03465513 0.228505 ] [-0.00939197 0.03465513 -0.228505 ] [-0.00589071 -0.02149505 0.05231429] [ 0.00589071 0.02149505 -0.05231429] [-0.00589071 -0.02149505 0.05231429] [ 0.00589071 0.02149505 -0.05231429]] Final stress: [ 1.10870557e-03 1.43944178e-03 -3.57120463e-04 5.88678089e-02 1.14673064e-03 -5.07993652e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.32155576 -0.7072537 0.02045006] [ 1.38524933 -0.76016179 -0.02082264] [-1.38524933 0.76016179 0.02082264] [ 1.32155576 0.7072537 -0.02045006] [-1.32155576 -0.7072537 0.02045006] [ 1.38524933 -0.76016179 -0.02082264] [-1.38524933 0.76016179 0.02082264] [ 1.32155576 0.7072537 -0.02045006] [ 0.19690844 -0.10413355 -0.31831522] [-0.19690844 0.10413355 0.31831522] [ 0.19690844 -0.10413355 -0.31831522] [-0.19690844 0.10413355 0.31831522] [-0.57012291 -0.0124395 -0.07243567] [ 0.57012291 0.0124395 0.07243567] [-0.57012291 -0.0124395 -0.07243567] [ 0.57012291 0.0124395 0.07243567]] Final stress: [ 0.00028277 0.0019701 -0.00275923 -0.08619737 -0.00238945 -0.01187582] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.32155576 -0.7072537 0.02045006] [-1.38524933 -0.76016179 -0.02082264] [ 1.38524933 0.76016179 0.02082264] [-1.32155576 0.7072537 -0.02045006] [ 1.32155576 -0.7072537 0.02045006] [-1.38524933 -0.76016179 -0.02082264] [ 1.38524933 0.76016179 0.02082264] [-1.32155576 0.7072537 -0.02045006] [-0.19690844 -0.10413355 -0.31831522] [ 0.19690844 0.10413355 0.31831522] [-0.19690844 -0.10413355 -0.31831522] [ 0.19690844 0.10413355 0.31831522] [ 0.57012291 -0.0124395 -0.07243567] [-0.57012291 0.0124395 0.07243567] [ 0.57012291 -0.0124395 -0.07243567] [-0.57012291 0.0124395 0.07243567]] Final stress: [ 0.00028277 0.0019701 -0.00275923 -0.08619737 0.00238945 0.01187582] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.38524933 0.76016179 -0.02082264] [ 1.32155576 0.7072537 0.02045006] [-1.32155576 -0.7072537 -0.02045006] [ 1.38524933 -0.76016179 0.02082264] [-1.38524933 0.76016179 -0.02082264] [ 1.32155576 0.7072537 0.02045006] [-1.32155576 -0.7072537 -0.02045006] [ 1.38524933 -0.76016179 0.02082264] [ 0.19690844 -0.10413355 0.31831522] [-0.19690844 0.10413355 -0.31831522] [ 0.19690844 -0.10413355 0.31831522] [-0.19690844 0.10413355 -0.31831522] [-0.57012291 -0.0124395 0.07243567] [ 0.57012291 0.0124395 -0.07243567] [-0.57012291 -0.0124395 0.07243567] [ 0.57012291 0.0124395 -0.07243567]] Final stress: [ 0.00028277 0.0019701 -0.00275923 0.08619737 0.00238945 -0.01187582] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.38524933 0.76016179 -0.02082264] [-1.32155576 0.7072537 0.02045006] [ 1.32155576 -0.7072537 -0.02045006] [-1.38524933 -0.76016179 0.02082264] [ 1.38524933 0.76016179 -0.02082264] [-1.32155576 0.7072537 0.02045006] [ 1.32155576 -0.7072537 -0.02045006] [-1.38524933 -0.76016179 0.02082264] [-0.19690844 -0.10413355 0.31831522] [ 0.19690844 0.10413355 -0.31831522] [-0.19690844 -0.10413355 0.31831522] [ 0.19690844 0.10413355 -0.31831522] [ 0.57012291 -0.0124395 0.07243567] [-0.57012291 0.0124395 -0.07243567] [ 0.57012291 -0.0124395 0.07243567] [-0.57012291 0.0124395 -0.07243567]] Final stress: [ 0.00028277 0.0019701 -0.00275923 0.08619737 -0.00238945 0.01187582] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00163253 -0.01410196 0.00838519] [ 0.00734137 0.06525652 -0.00326839] [-0.00734137 -0.06525652 0.00326839] [ 0.00163253 0.01410196 -0.00838519] [-0.00163253 -0.01410196 0.00838519] [ 0.00734137 0.06525652 -0.00326839] [-0.00734137 -0.06525652 0.00326839] [ 0.00163253 0.01410196 -0.00838519] [ 0.00384507 0.01352174 -0.03824406] [-0.00384507 -0.01352174 0.03824406] [ 0.00384507 0.01352174 -0.03824406] [-0.00384507 -0.01352174 0.03824406] [-0.00483996 0.03399793 0.01703668] [ 0.00483996 -0.03399793 -0.01703668] [-0.00483996 0.03399793 0.01703668] [ 0.00483996 -0.03399793 -0.01703668]] Final stress: [ 0.00221119 0.00144294 0.00124196 0.00779446 0.00030929 -0.00064328] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00735513 -0.0652565 -0.00327331] [-0.00163928 0.0141029 0.0083832 ] [ 0.00163928 -0.0141029 -0.0083832 ] [-0.00735513 0.0652565 0.00327331] [ 0.00735513 -0.0652565 -0.00327331] [-0.00163928 0.0141029 0.0083832 ] [ 0.00163928 -0.0141029 -0.0083832 ] [-0.00735513 0.0652565 0.00327331] [-0.00385107 0.01351893 0.03824413] [ 0.00385107 -0.01351893 -0.03824413] [-0.00385107 0.01351893 0.03824413] [ 0.00385107 -0.01351893 -0.03824413] [ 0.00484583 0.03399696 -0.01703595] [-0.00484583 -0.03399696 0.01703595] [ 0.00484583 0.03399696 -0.01703595] [-0.00484583 -0.03399696 0.01703595]] Final stress: [ 0.00221111 0.00144294 0.00124199 -0.00779439 0.00030935 0.00064333] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.007361 -0.06525642 -0.00327639] [ 0.00164297 0.01410321 0.00838121] [-0.00164297 -0.01410321 -0.00838121] [ 0.007361 0.06525642 0.00327639] [-0.007361 -0.06525642 -0.00327639] [ 0.00164297 0.01410321 0.00838121] [-0.00164297 -0.01410321 -0.00838121] [ 0.007361 0.06525642 0.00327639] [ 0.00385321 0.0135172 0.03824412] [-0.00385321 -0.0135172 -0.03824412] [ 0.00385321 0.0135172 0.03824412] [-0.00385321 -0.0135172 -0.03824412] [-0.004848 0.0339971 -0.01703567] [ 0.004848 -0.0339971 0.01703567] [-0.004848 0.0339971 -0.01703567] [ 0.004848 -0.0339971 0.01703567]] Final stress: [ 0.00221107 0.00144294 0.00124202 -0.00779436 -0.00030937 -0.00064334] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00163462 -0.01410277 0.00838739] [-0.00734979 0.06525664 -0.00326831] [ 0.00734979 -0.06525664 0.00326831] [-0.00163462 0.01410277 -0.00838739] [ 0.00163462 -0.01410277 0.00838739] [-0.00734979 0.06525664 -0.00326831] [ 0.00734979 -0.06525664 0.00326831] [-0.00163462 0.01410277 -0.00838739] [-0.00384993 0.01352162 -0.03824417] [ 0.00384993 -0.01352162 0.03824417] [-0.00384993 0.01352162 -0.03824417] [ 0.00384993 -0.01352162 0.03824417] [ 0.00484424 0.03399564 0.01703612] [-0.00484424 -0.03399564 -0.01703612] [ 0.00484424 0.03399564 0.01703612] [-0.00484424 -0.03399564 -0.01703612]] Final stress: [ 0.00221116 0.00144294 0.00124195 0.00779441 -0.00030934 0.00064332] Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.41237193e-12 -6.67161226e-01 1.48603740e+00] [-8.65063208e-12 -2.20336165e+00 7.07623810e-01] [-1.25862117e-11 2.20336165e+00 -7.07623810e-01] [-1.49043885e-12 6.67161226e-01 -1.48603740e+00] [ 1.40814704e-12 -6.67161226e-01 1.48603740e+00] [ 1.19809887e-11 -2.20336165e+00 7.07623810e-01] [ 8.30015820e-12 2.20336165e+00 -7.07623810e-01] [ 8.23312902e-12 6.67161226e-01 -1.48603740e+00] [-6.06138620e-13 -1.19593481e+00 -9.00380668e-01] [-4.42525357e-13 1.19593481e+00 9.00380668e-01] [ 1.80937557e-12 -1.19593481e+00 -9.00380668e-01] [ 3.18211473e-12 1.19593481e+00 9.00380668e-01] [-1.35048483e-12 1.75914230e+00 -8.05332527e-02] [-1.70438923e-12 -1.75914230e+00 8.05332527e-02] [-9.35279144e-14 1.75914230e+00 -8.05332528e-02] [ 4.18757666e-13 -1.75914230e+00 8.05332528e-02]] Final stress: [ 5.19063330e-02 -3.46416465e-02 -5.83786804e-02 -1.64036917e-01 -1.88276812e-14 8.18169576e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-7.40538273e-12 2.20336165e+00 7.07623810e-01] [-3.29005378e-12 6.67161226e-01 1.48603740e+00] [-4.56680126e-12 -6.67161226e-01 -1.48603740e+00] [-6.44930463e-12 -2.20336165e+00 -7.07623810e-01] [ 6.92558901e-12 2.20336165e+00 7.07623810e-01] [ 4.45088020e-12 6.67161226e-01 1.48603740e+00] [ 3.61941445e-12 -6.67161226e-01 -1.48603740e+00] [ 7.42640021e-12 -2.20336165e+00 -7.07623810e-01] [-4.25187229e-13 -1.19593481e+00 9.00380668e-01] [-2.45237251e-12 1.19593481e+00 -9.00380668e-01] [ 9.04938017e-13 -1.19593481e+00 9.00380668e-01] [ 1.42404187e-12 1.19593481e+00 -9.00380668e-01] [-7.68497679e-13 1.75914230e+00 8.05332528e-02] [-1.01329245e-12 -1.75914230e+00 -8.05332528e-02] [-1.74293685e-13 1.75914230e+00 8.05332528e-02] [ 1.78867774e-12 -1.75914230e+00 -8.05332528e-02]] Final stress: [ 5.19063330e-02 -3.46416465e-02 -5.83786804e-02 1.64036917e-01 2.82727361e-15 -7.45327893e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.29047044e-12 -1.32655121e+00 -7.07162138e-01] [-9.21586895e-12 -4.95262719e-01 -5.35291081e-01] [-6.30509230e-12 4.95262719e-01 5.35291081e-01] [-9.61187553e-12 1.32655121e+00 7.07162138e-01] [ 9.53421066e-12 -1.32655121e+00 -7.07162138e-01] [ 5.88910691e-12 -4.95262719e-01 -5.35291081e-01] [ 9.15524395e-12 4.95262719e-01 5.35291081e-01] [ 3.14557039e-12 1.32655121e+00 7.07162138e-01] [-2.89640143e-12 5.18485430e-02 -3.95286668e-01] [-2.89309635e-12 -5.18485430e-02 3.95286668e-01] [ 2.99654399e-13 5.18485430e-02 -3.95286668e-01] [ 3.77441047e-12 -5.18485430e-02 3.95286668e-01] [ 7.77704290e-13 -9.42053222e-01 -6.62995605e-02] [-3.28053296e-12 9.42053222e-01 6.62995606e-02] [ 2.82793960e-12 -9.42053222e-01 -6.62995606e-02] [ 2.08711932e-12 9.42053222e-01 6.62995606e-02]] Final stress: [-1.51105522e-02 2.04845643e-02 1.93710669e-02 -1.11469717e-01 1.90701711e-14 1.65095345e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.40591087e-12 4.95262719e-01 -5.35291081e-01] [-5.58839910e-12 1.32655121e+00 -7.07162138e-01] [-7.11722803e-12 -1.32655121e+00 7.07162138e-01] [-2.88860862e-12 -4.95262719e-01 5.35291081e-01] [ 3.21532482e-12 4.95262719e-01 -5.35291081e-01] [ 7.02651088e-12 1.32655121e+00 -7.07162138e-01] [ 5.69895596e-12 -1.32655121e+00 7.07162138e-01] [ 1.28201182e-12 -4.95262719e-01 5.35291081e-01] [-1.27817895e-12 5.18485430e-02 3.95286668e-01] [-1.43740662e-12 -5.18485430e-02 -3.95286668e-01] [ 1.34545109e-12 5.18485430e-02 3.95286668e-01] [ 1.75494515e-12 -5.18485430e-02 -3.95286668e-01] [-1.20276228e-12 -9.42053222e-01 6.62995606e-02] [-1.59083104e-12 9.42053222e-01 -6.62995606e-02] [ 1.07381421e-12 -9.42053222e-01 6.62995606e-02] [ 1.11163563e-12 9.42053222e-01 -6.62995606e-02]] Final stress: [-1.51105522e-02 2.04845643e-02 1.93710669e-02 1.11469717e-01 1.33335388e-14 1.79752487e-15] 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 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.76207650e-11 -1.62740301e+00 4.72872278e-02] [ 2.32783844e-11 -2.01064423e+00 -8.22500018e-01] [ 2.09272117e-11 2.01064423e+00 8.22500018e-01] [ 1.80153765e-11 1.62740301e+00 -4.72872277e-02] [-1.79248998e-11 -1.62740301e+00 4.72872277e-02] [-2.12973346e-11 -2.01064423e+00 -8.22500018e-01] [-2.31567715e-11 2.01064423e+00 8.22500018e-01] [-1.77708397e-11 1.62740301e+00 -4.72872277e-02] [ 1.88544816e-11 -1.60660928e-01 -1.33541110e+00] [ 1.75119875e-11 1.60660928e-01 1.33541110e+00] [-1.77187014e-11 -1.60660928e-01 -1.33541110e+00] [-1.53578192e-11 1.60660928e-01 1.33541110e+00] [ 1.48958545e-11 -2.44856779e-01 2.09841351e-01] [ 1.30706446e-11 2.44856779e-01 -2.09841351e-01] [-1.61408470e-11 -2.44856778e-01 2.09841351e-01] [-1.48167907e-11 2.44856779e-01 -2.09841351e-01]] Final stress: [ 7.04672231e-04 6.81988049e-03 -1.13057014e-02 -1.49024666e-01 7.18962752e-15 4.50069795e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.45028076e-11 2.01064423e+00 -8.22500018e-01] [ 1.45677548e-11 1.62740301e+00 4.72872277e-02] [ 1.74645756e-11 -1.62740301e+00 -4.72872277e-02] [ 1.94066976e-11 -2.01064423e+00 8.22500018e-01] [-1.94545750e-11 2.01064423e+00 -8.22500018e-01] [-1.77288158e-11 1.62740301e+00 4.72872277e-02] [-1.45437859e-11 -1.62740301e+00 -4.72872277e-02] [-2.50604262e-11 -2.01064423e+00 8.22500018e-01] [ 1.97261415e-11 -1.60660928e-01 1.33541110e+00] [ 1.70663587e-11 1.60660928e-01 -1.33541110e+00] [-1.69089679e-11 -1.60660928e-01 1.33541110e+00] [-1.44559798e-11 1.60660928e-01 -1.33541110e+00] [ 1.46875372e-11 -2.44856778e-01 -2.09841351e-01] [ 1.18418443e-11 2.44856779e-01 2.09841351e-01] [-1.64173534e-11 -2.44856778e-01 -2.09841351e-01] [-1.47024769e-11 2.44856779e-01 2.09841351e-01]] Final stress: [ 7.04672231e-04 6.81988049e-03 -1.13057014e-02 1.49024666e-01 6.23305172e-15 -1.91011482e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.04499983 -0.3276975 0.02568655] [-0.0530395 -0.33871496 -0.00718215] [ 0.0530395 0.33871496 0.00718215] [ 0.04499983 0.3276975 -0.02568655] [-0.04499983 -0.3276975 0.02568655] [-0.0530395 -0.33871496 -0.00718215] [ 0.0530395 0.33871496 0.00718215] [ 0.04499983 0.3276975 -0.02568655] [ 0.00438749 0.01526465 -0.14268601] [-0.00438749 -0.01526465 0.14268601] [ 0.00438749 0.01526465 -0.14268601] [-0.00438749 -0.01526465 0.14268601] [-0.00165005 -0.0375832 -0.03538466] [ 0.00165005 0.0375832 0.03538466] [-0.00165005 -0.0375832 -0.03538466] [ 0.00165005 0.0375832 0.03538466]] Final stress: [ 1.57472400e-04 8.40333421e-04 -7.23063991e-05 -3.67776712e-02 -6.99466787e-04 2.88163250e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.04499983 -0.3276975 0.02568655] [ 0.0530395 -0.33871496 -0.00718215] [-0.0530395 0.33871496 0.00718215] [-0.04499983 0.3276975 -0.02568655] [ 0.04499983 -0.3276975 0.02568655] [ 0.0530395 -0.33871496 -0.00718215] [-0.0530395 0.33871496 0.00718215] [-0.04499983 0.3276975 -0.02568655] [-0.00438749 0.01526465 -0.14268601] [ 0.00438749 -0.01526465 0.14268601] [-0.00438749 0.01526465 -0.14268601] [ 0.00438749 -0.01526465 0.14268601] [ 0.00165005 -0.0375832 -0.03538466] [-0.00165005 0.0375832 0.03538466] [ 0.00165005 -0.0375832 -0.03538466] [-0.00165005 0.0375832 0.03538466]] Final stress: [ 1.57472400e-04 8.40333421e-04 -7.23063988e-05 -3.67776712e-02 6.99466799e-04 -2.88163250e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.0530395 0.33871496 -0.00718215] [-0.04499983 0.3276975 0.02568655] [ 0.04499983 -0.3276975 -0.02568655] [ 0.0530395 -0.33871496 0.00718215] [-0.0530395 0.33871496 -0.00718215] [-0.04499983 0.3276975 0.02568655] [ 0.04499983 -0.3276975 -0.02568655] [ 0.0530395 -0.33871496 0.00718215] [-0.00438749 0.01526465 0.14268601] [ 0.00438749 -0.01526465 -0.14268601] [-0.00438749 0.01526465 0.14268601] [ 0.00438749 -0.01526465 -0.14268601] [ 0.00165005 -0.0375832 0.03538466] [-0.00165005 0.0375832 -0.03538466] [ 0.00165005 -0.0375832 0.03538466] [-0.00165005 0.0375832 -0.03538466]] Final stress: [ 1.57472404e-04 8.40333419e-04 -7.23064012e-05 3.67776712e-02 -6.99466695e-04 -2.88163254e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.0530395 0.33871496 -0.00718215] [ 0.04499983 0.3276975 0.02568655] [-0.04499983 -0.3276975 -0.02568655] [-0.0530395 -0.33871496 0.00718215] [ 0.0530395 0.33871496 -0.00718215] [ 0.04499983 0.3276975 0.02568655] [-0.04499983 -0.3276975 -0.02568655] [-0.0530395 -0.33871496 0.00718215] [ 0.00438749 0.01526465 0.14268601] [-0.00438749 -0.01526465 -0.14268601] [ 0.00438749 0.01526465 0.14268601] [-0.00438749 -0.01526465 -0.14268601] [-0.00165005 -0.0375832 0.03538466] [ 0.00165005 0.0375832 -0.03538466] [-0.00165005 -0.0375832 0.03538466] [ 0.00165005 0.0375832 -0.03538466]] Final stress: [ 1.57472405e-04 8.40333419e-04 -7.23064014e-05 3.67776712e-02 6.99466688e-04 2.88163255e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.85947925 -0.46277789 0.06876078] [ 0.88650531 -0.4801068 0.0413598 ] [-0.88650531 0.4801068 -0.0413598 ] [ 0.85947925 0.46277789 -0.06876078] [-0.85947925 -0.46277789 0.06876078] [ 0.88650531 -0.4801068 0.0413598 ] [-0.88650531 0.4801068 -0.0413598 ] [ 0.85947925 0.46277789 -0.06876078] [ 0.12999427 -0.00622972 -0.20250297] [-0.12999427 0.00622972 0.20250297] [ 0.12999427 -0.00622972 -0.20250297] [-0.12999427 0.00622972 0.20250297] [-0.36806944 -0.04450661 -0.05101136] [ 0.36806944 0.04450661 0.05101136] [-0.36806944 -0.04450661 -0.05101136] [ 0.36806944 0.04450661 0.05101136]] Final stress: [ 0.00032388 0.00100757 -0.00162689 -0.05527861 -0.00100029 -0.00771694] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.85947925 -0.46277789 0.06876078] [-0.88650531 -0.4801068 0.0413598 ] [ 0.88650531 0.4801068 -0.0413598 ] [-0.85947925 0.46277789 -0.06876078] [ 0.85947925 -0.46277789 0.06876078] [-0.88650531 -0.4801068 0.0413598 ] [ 0.88650531 0.4801068 -0.0413598 ] [-0.85947925 0.46277789 -0.06876078] [-0.12999427 -0.00622972 -0.20250297] [ 0.12999427 0.00622972 0.20250297] [-0.12999427 -0.00622972 -0.20250297] [ 0.12999427 0.00622972 0.20250297] [ 0.36806944 -0.04450661 -0.05101136] [-0.36806944 0.04450661 0.05101136] [ 0.36806944 -0.04450661 -0.05101136] [-0.36806944 0.04450661 0.05101136]] Final stress: [ 0.00032388 0.00100757 -0.00162689 -0.05527861 0.00100029 0.00771694] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.88650531 0.4801068 0.0413598 ] [ 0.85947925 0.46277789 0.06876078] [-0.85947925 -0.46277789 -0.06876078] [ 0.88650531 -0.4801068 -0.0413598 ] [-0.88650531 0.4801068 0.0413598 ] [ 0.85947925 0.46277789 0.06876078] [-0.85947925 -0.46277789 -0.06876078] [ 0.88650531 -0.4801068 -0.0413598 ] [ 0.12999427 -0.00622972 0.20250297] [-0.12999427 0.00622972 -0.20250297] [ 0.12999427 -0.00622972 0.20250297] [-0.12999427 0.00622972 -0.20250297] [-0.36806944 -0.04450661 0.05101136] [ 0.36806944 0.04450661 -0.05101136] [-0.36806944 -0.04450661 0.05101136] [ 0.36806944 0.04450661 -0.05101136]] Final stress: [ 0.00032388 0.00100757 -0.00162689 0.05527861 0.00100029 -0.00771694] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.88650531 0.4801068 0.0413598 ] [-0.85947925 0.46277789 0.06876078] [ 0.85947925 -0.46277789 -0.06876078] [-0.88650531 -0.4801068 -0.0413598 ] [ 0.88650531 0.4801068 0.0413598 ] [-0.85947925 0.46277789 0.06876078] [ 0.85947925 -0.46277789 -0.06876078] [-0.88650531 -0.4801068 -0.0413598 ] [-0.12999427 -0.00622972 0.20250297] [ 0.12999427 0.00622972 -0.20250297] [-0.12999427 -0.00622972 0.20250297] [ 0.12999427 0.00622972 -0.20250297] [ 0.36806944 -0.04450661 0.05101136] [-0.36806944 0.04450661 -0.05101136] [ 0.36806944 -0.04450661 0.05101136] [-0.36806944 0.04450661 -0.05101136]] Final stress: [ 0.00032388 0.00100757 -0.00162689 0.05527861 -0.00100029 0.00771694] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-3.96843552e-06 2.28506116e-03 -5.95883599e-03] [ 1.15415137e-03 6.43999998e-03 -2.17076567e-03] [-1.15415167e-03 -6.43999994e-03 2.17076632e-03] [ 3.96837339e-06 -2.28506112e-03 5.95883534e-03] [-3.96838757e-06 2.28506114e-03 -5.95883583e-03] [ 1.15415168e-03 6.43999994e-03 -2.17076661e-03] [-1.15415139e-03 -6.43999996e-03 2.17076617e-03] [ 3.96843884e-06 -2.28506115e-03 5.95883627e-03] [-3.45798848e-04 1.24570460e-02 -4.83168533e-03] [ 3.45798896e-04 -1.24570461e-02 4.83168534e-03] [-3.45798692e-04 1.24570458e-02 -4.83168534e-03] [ 3.45798831e-04 -1.24570459e-02 4.83168534e-03] [-9.45342932e-04 -2.97590470e-03 4.04279604e-03] [ 9.45342815e-04 2.97590475e-03 -4.04279604e-03] [-9.45342800e-04 -2.97590453e-03 4.04279604e-03] [ 9.45342750e-04 2.97590453e-03 -4.04279605e-03]] Final stress: [ 0.00011415 0.00029128 0.00034888 0.00121124 0.00017667 -0.00037612] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.15329201e-03 -6.43985209e-03 -2.16972867e-03] [-2.07696816e-06 -2.28521325e-03 -5.95762725e-03] [ 2.07685031e-06 2.28521329e-03 5.95762774e-03] [-1.15329201e-03 6.43985213e-03 2.16972818e-03] [ 1.15329201e-03 -6.43985213e-03 -2.16972822e-03] [-2.07684665e-06 -2.28521330e-03 -5.95762825e-03] [ 2.07696697e-06 2.28521325e-03 5.95762729e-03] [-1.15329201e-03 6.43985208e-03 2.16972918e-03] [ 3.44954292e-04 1.24581214e-02 4.83166951e-03] [-3.44954300e-04 -1.24581213e-02 -4.83166951e-03] [ 3.44954312e-04 1.24581212e-02 4.83166951e-03] [-3.44954345e-04 -1.24581211e-02 -4.83166951e-03] [ 9.45207704e-04 -2.97613503e-03 -4.04283407e-03] [-9.45207672e-04 2.97613499e-03 4.04283407e-03] [ 9.45207719e-04 -2.97613489e-03 -4.04283407e-03] [-9.45207715e-04 2.97613486e-03 4.04283407e-03]] Final stress: [ 0.00011417 0.00029128 0.00034887 -0.00121124 0.00017668 0.00037611] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.15280811e-03 -6.43971903e-03 -2.16932204e-03] [ 1.12678753e-06 -2.28535087e-03 -5.95709710e-03] [-1.12649433e-06 2.28535088e-03 5.95709718e-03] [ 1.15280808e-03 6.43971903e-03 2.16932197e-03] [-1.15280809e-03 -6.43971900e-03 -2.16932271e-03] [ 1.12650657e-06 -2.28535086e-03 -5.95709699e-03] [-1.12679879e-06 2.28535090e-03 5.95709784e-03] [ 1.15280812e-03 6.43971905e-03 2.16932186e-03] [-3.44445530e-04 1.24587521e-02 4.83165365e-03] [ 3.44445596e-04 -1.24587523e-02 -4.83165365e-03] [-3.44445451e-04 1.24587520e-02 4.83165365e-03] [ 3.44445367e-04 -1.24587521e-02 -4.83165365e-03] [-9.45012086e-04 -2.97611685e-03 -4.04286758e-03] [ 9.45012156e-04 2.97611698e-03 4.04286758e-03] [-9.45012010e-04 -2.97611671e-03 -4.04286758e-03] [ 9.45011956e-04 2.97611684e-03 4.04286758e-03]] Final stress: [ 0.00011417 0.00029128 0.00034887 -0.00121125 -0.00017669 -0.00037609] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.83979740e-07 2.28540416e-03 -5.95668869e-03] [-1.15251599e-03 6.43966724e-03 -2.16897255e-03] [ 1.15251589e-03 -6.43966722e-03 2.16897269e-03] [-4.83750544e-07 -2.28540414e-03 5.95668855e-03] [ 4.83749975e-07 2.28540415e-03 -5.95668835e-03] [-1.15251590e-03 6.43966723e-03 -2.16897232e-03] [ 1.15251599e-03 -6.43966723e-03 2.16897235e-03] [-4.83987126e-07 -2.28540414e-03 5.95668832e-03] [ 3.44157368e-04 1.24591198e-02 -4.83164805e-03] [-3.44157228e-04 -1.24591199e-02 4.83164805e-03] [ 3.44157252e-04 1.24591199e-02 -4.83164805e-03] [-3.44157251e-04 -1.24591200e-02 4.83164805e-03] [ 9.44961945e-04 -2.97619139e-03 4.04288086e-03] [-9.44961948e-04 2.97619148e-03 -4.04288086e-03] [ 9.44961844e-04 -2.97619154e-03 4.04288086e-03] [-9.44961966e-04 2.97619161e-03 -4.04288086e-03]] Final stress: [ 0.00011418 0.00029128 0.00034886 0.00121125 -0.00017669 0.00037608] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.01774817e-13 -5.16196054e-01 1.12864817e+00] [-8.62269999e-12 -1.57664863e+00 6.63984111e-01] [-9.80324003e-13 1.57664863e+00 -6.63984111e-01] [ 9.96537922e-14 5.16196054e-01 -1.12864817e+00] [-1.20073222e-13 -5.16196054e-01 1.12864817e+00] [ 1.32098672e-12 -1.57664863e+00 6.63984111e-01] [ 8.50262601e-12 1.57664863e+00 -6.63984111e-01] [ 1.55864687e-13 5.16196054e-01 -1.12864817e+00] [ 1.85134351e-12 -7.92877513e-01 -6.23153109e-01] [ 2.68678482e-12 7.92877513e-01 6.23153109e-01] [-3.11708905e-12 -7.92877513e-01 -6.23153109e-01] [-5.90706867e-12 7.92877513e-01 6.23153109e-01] [ 3.49770907e-12 1.28014754e+00 -6.29177273e-02] [ 5.20389987e-12 -1.28014754e+00 6.29177273e-02] [-2.00458310e-12 1.28014754e+00 -6.29177273e-02] [-2.67006923e-12 -1.28014754e+00 6.29177273e-02]] Final stress: [ 3.74541111e-02 -2.63478078e-02 -4.14703561e-02 -1.19017166e-01 -3.25340470e-14 -1.39967818e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.99077937e-12 1.57664863e+00 6.63984111e-01] [-8.88147542e-12 5.16196054e-01 1.12864817e+00] [-7.90396047e-12 -5.16196054e-01 -1.12864817e+00] [-7.76018919e-12 -1.57664863e+00 -6.63984111e-01] [ 7.78623032e-12 1.57664863e+00 6.63984111e-01] [ 7.91747006e-12 5.16196054e-01 1.12864817e+00] [ 8.71232231e-12 -5.16196054e-01 -1.12864817e+00] [ 6.87770414e-12 -1.57664863e+00 -6.63984111e-01] [-4.00892037e-12 -7.92877513e-01 6.23153109e-01] [ 8.26295629e-13 7.92877513e-01 -6.23153109e-01] [-2.16249891e-12 -7.92877513e-01 6.23153109e-01] [-3.41029592e-12 7.92877513e-01 -6.23153109e-01] [ 2.42515036e-12 1.28014754e+00 6.29177273e-02] [ 3.82465966e-12 -1.28014754e+00 -6.29177273e-02] [ 3.44775879e-12 1.28014754e+00 6.29177273e-02] [-7.02374736e-13 -1.28014754e+00 -6.29177273e-02]] Final stress: [ 3.74541111e-02 -2.63478078e-02 -4.14703561e-02 1.19017166e-01 4.93031749e-16 8.15741229e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.27853844e-11 -7.72896032e-01 -2.99391573e-01] [-5.17724904e-12 -2.71108272e-01 -2.55028139e-01] [-1.39474905e-11 2.71108272e-01 2.55028139e-01] [-7.74920753e-12 7.72896032e-01 2.99391573e-01] [ 7.87853170e-12 -7.72896032e-01 -2.99391573e-01] [ 1.39080119e-11 -2.71108272e-01 -2.55028139e-01] [ 5.29166543e-12 2.71108272e-01 2.55028139e-01] [ 1.28283001e-11 7.72896032e-01 2.99391573e-01] [-4.44934064e-12 6.08031747e-02 -2.24288933e-01] [-2.34656999e-12 -6.08031747e-02 2.24288933e-01] [ 2.04975457e-12 6.08031748e-02 -2.24288933e-01] [ 3.84670421e-12 -6.08031748e-02 2.24288933e-01] [-2.04681628e-12 -5.45176820e-01 -4.87869763e-02] [-2.49051959e-12 5.45176820e-01 4.87869763e-02] [ 3.21395649e-12 -5.45176820e-01 -4.87869763e-02] [ 1.97573381e-12 5.45176820e-01 4.87869763e-02]] Final stress: [-8.61017852e-03 1.07631710e-02 1.07127272e-02 -6.35831133e-02 1.39692147e-14 2.30523837e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.12748594e-11 2.71108272e-01 -2.55028139e-01] [-8.23970232e-12 7.72896032e-01 -2.99391573e-01] [-6.60517279e-12 -7.72896032e-01 2.99391573e-01] [-8.95191993e-12 -2.71108272e-01 2.55028139e-01] [ 8.93962541e-12 2.71108272e-01 -2.55028139e-01] [ 6.52264570e-12 7.72896032e-01 -2.99391573e-01] [ 8.26819646e-12 -7.72896032e-01 2.99391573e-01] [ 1.10351229e-11 -2.71108272e-01 2.55028139e-01] [-1.51914939e-12 6.08031748e-02 2.24288933e-01] [-5.19312111e-12 -6.08031747e-02 -2.24288933e-01] [ 4.75881097e-12 6.08031748e-02 2.24288933e-01] [ 1.12074109e-12 -6.08031747e-02 -2.24288933e-01] [-3.75926157e-12 -5.45176820e-01 4.87869763e-02] [-4.56729760e-13 5.45176820e-01 -4.87869763e-02] [ 1.02726591e-12 -5.45176820e-01 4.87869763e-02] [ 4.32233990e-12 5.45176820e-01 -4.87869763e-02]] Final stress: [-8.61017852e-03 1.07631710e-02 1.07127272e-02 6.35831133e-02 -1.66562896e-14 -3.12559738e-14] 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 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.25570277e-12 -3.54561828e+00 -1.31112465e+00] [-1.72810442e-11 -1.71647165e+00 2.38409185e+00] [-1.01660000e-11 1.71647165e+00 -2.38409185e+00] [ 1.59812129e-11 3.54561828e+00 1.31112465e+00] [-1.45042719e-11 -3.54561828e+00 -1.31112465e+00] [ 7.36000627e-12 -1.71647165e+00 2.38409185e+00] [ 1.63974468e-11 1.71647165e+00 -2.38409185e+00] [ 6.10670780e-12 3.54561828e+00 1.31112465e+00] [ 1.80861850e-11 -3.61196796e-01 -9.97918323e-01] [-1.12513063e-11 3.61196796e-01 9.97918323e-01] [ 1.74329721e-11 -3.61196796e-01 -9.97918323e-01] [-5.65113754e-12 3.61196796e-01 9.97918323e-01] [-1.38232108e-11 -2.68154263e+00 3.23637197e-01] [ 5.53418265e-12 2.68154263e+00 -3.23637196e-01] [-1.68434440e-11 -2.68154263e+00 3.23637197e-01] [ 7.86343644e-12 2.68154263e+00 -3.23637196e-01]] Final stress: [ 3.51716110e-02 1.03442908e-01 3.15210609e-02 -5.17408696e-01 -1.32165319e-13 -1.22712068e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.18002124e-11 1.71647152e+00 2.38409324e+00] [ 1.33648999e-11 3.54561871e+00 -1.31112444e+00] [ 7.04649067e-12 -3.54561871e+00 1.31112444e+00] [ 2.08484827e-11 -1.71647152e+00 -2.38409324e+00] [-2.14287210e-11 1.71647152e+00 2.38409324e+00] [-5.79379990e-12 3.54561871e+00 -1.31112444e+00] [-1.30091244e-11 -3.54561871e+00 1.31112444e+00] [-2.10042094e-11 -1.71647152e+00 -2.38409324e+00] [ 2.65701179e-11 -3.61196422e-01 9.97918434e-01] [ 2.10006743e-11 3.61196422e-01 -9.97918434e-01] [-1.26983125e-11 -3.61196422e-01 9.97918434e-01] [-1.85505417e-11 3.61196422e-01 -9.97918434e-01] [ 6.35215752e-12 -2.68154381e+00 -3.23637380e-01] [ 1.04336379e-11 2.68154381e+00 3.23637380e-01] [-2.07155730e-11 -2.68154381e+00 -3.23637380e-01] [-1.42242625e-11 2.68154381e+00 3.23637380e-01]] Final stress: [ 3.51716078e-02 1.03442926e-01 3.15210664e-02 5.17408783e-01 3.86198653e-14 -2.68972860e-14] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.02865791 -0.20640861 0.03108808] [-0.0317943 -0.20998614 0.01063115] [ 0.0317943 0.20998614 -0.01063115] [ 0.02865791 0.20640861 -0.03108808] [-0.02865791 -0.20640861 0.03108808] [-0.0317943 -0.20998614 0.01063115] [ 0.0317943 0.20998614 -0.01063115] [ 0.02865791 0.20640861 -0.03108808] [ 0.00170915 0.03394121 -0.08877091] [-0.00170915 -0.03394121 0.08877091] [ 0.00170915 0.03394121 -0.08877091] [-0.00170915 -0.03394121 0.08877091] [-0.00064381 -0.04491331 -0.0223736 ] [ 0.00064381 0.04491331 0.0223736 ] [-0.00064381 -0.04491331 -0.0223736 ] [ 0.00064381 0.04491331 0.0223736 ]] Final stress: [-2.15225056e-04 6.10458710e-04 3.84407697e-05 -2.29749000e-02 -4.32228053e-04 1.12349863e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.02865791 -0.20640861 0.03108808] [ 0.0317943 -0.20998614 0.01063115] [-0.0317943 0.20998614 -0.01063115] [-0.02865791 0.20640861 -0.03108808] [ 0.02865791 -0.20640861 0.03108808] [ 0.0317943 -0.20998614 0.01063115] [-0.0317943 0.20998614 -0.01063115] [-0.02865791 0.20640861 -0.03108808] [-0.00170915 0.03394121 -0.08877091] [ 0.00170915 -0.03394121 0.08877091] [-0.00170915 0.03394121 -0.08877091] [ 0.00170915 -0.03394121 0.08877091] [ 0.00064381 -0.04491331 -0.0223736 ] [-0.00064381 0.04491331 0.0223736 ] [ 0.00064381 -0.04491331 -0.0223736 ] [-0.00064381 0.04491331 0.0223736 ]] Final stress: [-2.15225052e-04 6.10458708e-04 3.84407674e-05 -2.29749000e-02 4.32228003e-04 -1.12349864e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.0317943 0.20998614 0.01063115] [-0.02865792 0.20640861 0.03108808] [ 0.02865792 -0.20640861 -0.03108808] [ 0.0317943 -0.20998614 -0.01063115] [-0.0317943 0.20998614 0.01063115] [-0.02865792 0.20640861 0.03108808] [ 0.02865792 -0.20640861 -0.03108808] [ 0.0317943 -0.20998614 -0.01063115] [-0.00170915 0.03394121 0.08877091] [ 0.00170915 -0.03394121 -0.08877091] [-0.00170915 0.03394121 0.08877091] [ 0.00170915 -0.03394121 -0.08877091] [ 0.00064381 -0.04491331 0.0223736 ] [-0.00064381 0.04491331 -0.0223736 ] [ 0.00064381 -0.04491331 0.0223736 ] [-0.00064381 0.04491331 -0.0223736 ]] Final stress: [-2.15225057e-04 6.10458710e-04 3.84407706e-05 2.29749000e-02 -4.32228072e-04 -1.12349862e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.0317943 0.20998614 0.01063115] [ 0.02865792 0.20640861 0.03108808] [-0.02865792 -0.20640861 -0.03108808] [-0.0317943 -0.20998614 -0.01063115] [ 0.0317943 0.20998614 0.01063115] [ 0.02865792 0.20640861 0.03108808] [-0.02865792 -0.20640861 -0.03108808] [-0.0317943 -0.20998614 -0.01063115] [ 0.00170915 0.03394121 0.08877091] [-0.00170915 -0.03394121 -0.08877091] [ 0.00170915 0.03394121 0.08877091] [-0.00170915 -0.03394121 -0.08877091] [-0.00064381 -0.04491331 0.0223736 ] [ 0.00064381 0.04491331 -0.0223736 ] [-0.00064381 -0.04491331 0.0223736 ] [ 0.00064381 0.04491331 -0.0223736 ]] Final stress: [-2.15225058e-04 6.10458711e-04 3.84407711e-05 2.29749000e-02 4.32228082e-04 1.12349862e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.60852577 -0.32655981 0.09672204] [ 0.62207006 -0.3287645 0.07622641] [-0.62207006 0.3287645 -0.07622641] [ 0.60852577 0.32655981 -0.09672204] [-0.60852577 -0.32655981 0.09672204] [ 0.62207006 -0.3287645 0.07622641] [-0.62207006 0.3287645 -0.07622641] [ 0.60852577 0.32655981 -0.09672204] [ 0.09227074 0.03561144 -0.1420988 ] [-0.09227074 -0.03561144 0.1420988 ] [ 0.09227074 0.03561144 -0.1420988 ] [-0.09227074 -0.03561144 0.1420988 ] [-0.25824052 -0.06574891 -0.0345524 ] [ 0.25824052 0.06574891 0.0345524 ] [-0.25824052 -0.06574891 -0.0345524 ] [ 0.25824052 0.06574891 0.0345524 ]] Final stress: [ 0.00033111 0.00068755 -0.00133462 -0.03848324 -0.00048922 -0.00537331] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.60852577 -0.32655981 0.09672204] [-0.62207006 -0.3287645 0.07622641] [ 0.62207006 0.3287645 -0.07622641] [-0.60852577 0.32655981 -0.09672204] [ 0.60852577 -0.32655981 0.09672204] [-0.62207006 -0.3287645 0.07622641] [ 0.62207006 0.3287645 -0.07622641] [-0.60852577 0.32655981 -0.09672204] [-0.09227074 0.03561144 -0.1420988 ] [ 0.09227074 -0.03561144 0.1420988 ] [-0.09227074 0.03561144 -0.1420988 ] [ 0.09227074 -0.03561144 0.1420988 ] [ 0.25824052 -0.06574891 -0.0345524 ] [-0.25824052 0.06574891 0.0345524 ] [ 0.25824052 -0.06574891 -0.0345524 ] [-0.25824052 0.06574891 0.0345524 ]] Final stress: [ 0.00033111 0.00068755 -0.00133462 -0.03848324 0.00048922 0.00537331] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.62207006 0.3287645 0.07622641] [ 0.60852577 0.32655981 0.09672204] [-0.60852577 -0.32655981 -0.09672204] [ 0.62207006 -0.3287645 -0.07622641] [-0.62207006 0.3287645 0.07622641] [ 0.60852577 0.32655981 0.09672204] [-0.60852577 -0.32655981 -0.09672204] [ 0.62207006 -0.3287645 -0.07622641] [ 0.09227074 0.03561144 0.1420988 ] [-0.09227074 -0.03561144 -0.1420988 ] [ 0.09227074 0.03561144 0.1420988 ] [-0.09227074 -0.03561144 -0.1420988 ] [-0.25824052 -0.06574891 0.0345524 ] [ 0.25824052 0.06574891 -0.0345524 ] [-0.25824052 -0.06574891 0.0345524 ] [ 0.25824052 0.06574891 -0.0345524 ]] Final stress: [ 0.00033111 0.00068755 -0.00133462 0.03848324 0.00048922 -0.00537331] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.62207006 0.3287645 0.07622641] [-0.60852577 0.32655981 0.09672204] [ 0.60852577 -0.32655981 -0.09672204] [-0.62207006 -0.3287645 -0.07622641] [ 0.62207006 0.3287645 0.07622641] [-0.60852577 0.32655981 0.09672204] [ 0.60852577 -0.32655981 -0.09672204] [-0.62207006 -0.3287645 -0.07622641] [-0.09227074 0.03561144 0.1420988 ] [ 0.09227074 -0.03561144 -0.1420988 ] [-0.09227074 0.03561144 0.1420988 ] [ 0.09227074 -0.03561144 -0.1420988 ] [ 0.25824052 -0.06574891 0.0345524 ] [-0.25824052 0.06574891 -0.0345524 ] [ 0.25824052 -0.06574891 0.0345524 ] [-0.25824052 0.06574891 -0.0345524 ]] Final stress: [ 0.00033111 0.00068755 -0.00133462 0.03848324 -0.00048922 0.00537331] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.33714664 2.09520617 -0.66344682] [ 2.63330467 -1.65996184 -0.2852871 ] [-2.63330468 1.65996187 0.28528682] [ 0.3371468 -2.09520621 0.66344711] [-0.33714681 2.09520619 -0.66344707] [ 2.63330468 -1.65996188 -0.28528685] [-2.63330467 1.65996186 0.28528704] [ 0.33714665 -2.09520616 0.66344684] [ 1.42504898 4.4024772 -2.72546983] [-1.42504892 -4.40247718 2.72546981] [ 1.42504895 4.40247722 -2.72546983] [-1.42504899 -4.40247721 2.72546984] [-2.09326537 1.35423095 1.8924492 ] [ 2.09326538 -1.35423098 -1.8924492 ] [-2.09326538 1.35423095 1.89244923] [ 2.09326535 -1.35423096 -1.8924492 ]] Final stress: [ 0.05779604 0.03290662 0.03338098 0.41731294 0.03511421 -0.0407422 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 2.63703168 1.66044642 -0.28126036] [-0.3386555 -2.09855192 -0.66635528] [ 0.33865559 2.09855196 0.66635552] [-2.63703166 -1.66044645 0.28126013] [ 2.63703166 1.6604464 -0.28126031] [-0.33865558 -2.09855196 -0.66635567] [ 0.33865549 2.09855194 0.66635545] [-2.63703168 -1.66044637 0.28126051] [-1.42686121 4.4001473 2.72121974] [ 1.42686126 -4.40014731 -2.72121975] [-1.42686121 4.40014716 2.72121969] [ 1.42686121 -4.40014721 -2.7212197 ] [ 2.09563069 1.35179358 -1.89514946] [-2.09563071 -1.35179355 1.89514946] [ 2.0956307 1.35179366 -1.89514943] [-2.09563073 -1.35179364 1.89514945]] Final stress: [ 0.05765345 0.03279586 0.03340197 -0.41728072 0.03514943 0.04077744] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-2.63630852 1.65918138 -0.28678725] [ 0.34014727 -2.09476543 -0.66394138] [-0.34014732 2.09476543 0.66394148] [ 2.63630851 -1.65918142 0.28678712] [-2.63630851 1.65918128 -0.28678759] [ 0.34014731 -2.09476547 -0.66394195] [-0.34014726 2.09476545 0.66394182] [ 2.63630851 -1.65918128 0.28678768] [ 1.42520975 4.40186488 2.72479825] [-1.42520977 -4.40186476 -2.72479822] [ 1.42520974 4.40186453 2.72479812] [-1.42520974 -4.40186446 -2.72479809] [-2.09439142 1.35324236 -1.89255763] [ 2.09439143 -1.35324241 1.89255763] [-2.09439143 1.35324259 -1.89255758] [ 2.09439145 -1.35324265 1.89255759]] Final stress: [ 0.05773946 0.03293277 0.03340989 -0.41731093 -0.03513825 -0.04075566] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.34137093 2.09799021 -0.66708458] [-2.63717736 -1.65987848 -0.28381411] [ 2.63717734 1.65987855 0.28381375] [-0.34137091 -2.09799024 0.66708489] [ 0.3413709 2.09799025 -0.66708493] [-2.63717734 -1.65987855 -0.28381363] [ 2.63717735 1.6598785 0.28381412] [-0.34137093 -2.09799019 0.66708441] [-1.425236 4.40085615 -2.72151508] [ 1.42523601 -4.4008563 2.72151512] [-1.42523598 4.40085623 -2.7215151 ] [ 1.42523597 -4.40085631 2.72151514] [ 2.09448665 1.35140545 1.89451026] [-2.09448664 -1.3514054 -1.89451026] [ 2.09448666 1.35140547 1.89451025] [-2.09448668 -1.35140534 -1.89451026]] Final stress: [ 0.05762161 0.03283086 0.03343411 0.41727493 -0.03513916 0.04075325] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 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 3 steps. Final forces: [[-3.16162111e-11 -1.74987631e+00 1.83850369e+00] [-4.52995727e-11 -2.24276655e+00 8.35126147e-01] [-5.03434650e-11 2.24276655e+00 -8.35126147e-01] [-3.27775073e-11 1.74987631e+00 -1.83850369e+00] [ 3.08852668e-11 -1.74987631e+00 1.83850369e+00] [ 5.11388137e-11 -2.24276655e+00 8.35126147e-01] [ 3.61548194e-11 2.24276655e+00 -8.35126147e-01] [ 3.25572802e-11 1.74987631e+00 -1.83850369e+00] [-7.67478485e-12 1.75968609e-01 -1.37638654e+00] [ 2.64862897e-11 -1.75968609e-01 1.37638654e+00] [ 2.53092527e-11 1.75968610e-01 -1.37638654e+00] [-3.48928351e-13 -1.75968609e-01 1.37638654e+00] [-1.87765220e-11 -2.64364675e+00 -8.25959640e-01] [ 4.52380857e-12 2.64364675e+00 8.25959640e-01] [ 3.68973824e-12 -2.64364675e+00 -8.25959640e-01] [-2.39172002e-11 2.64364675e+00 8.25959640e-01]] Final stress: [-2.56338287e-03 2.17405675e-02 -2.51725870e-02 -3.14335853e-01 2.91443684e-14 2.10929006e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.70433470e-11 2.24276845e+00 8.35130885e-01] [-3.71031910e-11 1.74987734e+00 1.83851037e+00] [-3.10230916e-11 -1.74987734e+00 -1.83851037e+00] [-4.72893226e-11 -2.24276845e+00 -8.35130885e-01] [ 4.07374644e-11 2.24276845e+00 8.35130885e-01] [ 2.96911545e-11 1.74987734e+00 1.83851037e+00] [ 3.64004783e-11 -1.74987734e+00 -1.83851037e+00] [ 2.75822360e-11 -2.24276845e+00 -8.35130885e-01] [ 2.47293687e-11 1.75971750e-01 1.37638797e+00] [ 2.60372869e-11 -1.75971750e-01 -1.37638797e+00] [ 2.92673513e-12 1.75971750e-01 1.37638797e+00] [ 1.72169323e-11 -1.75971750e-01 -1.37638797e+00] [ 2.56648782e-12 -2.64365291e+00 8.25960863e-01] [-1.13911945e-11 2.64365291e+00 -8.25960863e-01] [-2.01855662e-11 -2.64365291e+00 8.25960863e-01] [-2.38621707e-11 2.64365291e+00 -8.25960863e-01]] Final stress: [-2.56338424e-03 2.17405934e-02 -2.51726645e-02 3.14336131e-01 2.55979709e-16 6.54575250e-14] Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.15377323e-12 -2.54448332e-01 6.31823187e-01] [-8.79297828e-12 -7.92884968e-01 5.08524123e-01] [-9.23805867e-12 7.92884968e-01 -5.08524123e-01] [-8.95958654e-12 2.54448332e-01 -6.31823187e-01] [ 8.84462458e-12 -2.54448332e-01 6.31823187e-01] [ 9.29034714e-12 -7.92884968e-01 5.08524123e-01] [ 8.68386699e-12 7.92884968e-01 -5.08524123e-01] [ 9.17739647e-12 2.54448332e-01 -6.31823187e-01] [-4.56344684e-12 1.14482450e-01 -2.46809722e-01] [-3.45935433e-12 -1.14482450e-01 2.46809722e-01] [ 5.20340813e-12 1.14482450e-01 -2.46809722e-01] [ 3.88355624e-12 -1.14482450e-01 2.46809722e-01] [-4.42728102e-12 2.33529994e-01 -5.85188948e-02] [-3.10418230e-12 -2.33529994e-01 5.85188948e-02] [ 3.69880896e-12 2.33529994e-01 -5.85188948e-02] [ 2.91977044e-12 -2.33529994e-01 5.85188948e-02]] Final stress: [ 1.04820735e-02 -8.27097669e-03 -1.55742242e-02 -6.41755048e-02 7.69909682e-16 -3.58860659e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.02608523e-12 7.92884968e-01 5.08524123e-01] [-9.92236501e-12 2.54448332e-01 6.31823187e-01] [-7.86819893e-12 -2.54448332e-01 -6.31823187e-01] [-1.10587390e-11 -7.92884968e-01 -5.08524123e-01] [ 1.07148713e-11 7.92884968e-01 5.08524123e-01] [ 8.17274763e-12 2.54448332e-01 6.31823187e-01] [ 9.67533486e-12 -2.54448332e-01 -6.31823187e-01] [ 7.46509430e-12 -7.92884968e-01 -5.08524123e-01] [-5.85746469e-12 1.14482450e-01 2.46809722e-01] [-1.69640690e-12 -1.14482450e-01 -2.46809722e-01] [ 3.77485532e-12 1.14482450e-01 2.46809722e-01] [ 1.49056939e-12 -1.14482450e-01 -2.46809722e-01] [-2.57960840e-12 2.33529994e-01 5.85188948e-02] [-1.37455065e-12 -2.33529994e-01 -5.85188948e-02] [ 5.18302681e-12 2.33529994e-01 5.85188948e-02] [ 8.98430635e-13 -2.33529994e-01 -5.85188948e-02]] Final stress: [ 1.04820735e-02 -8.27097669e-03 -1.55742242e-02 6.41755048e-02 6.55048506e-15 1.43229643e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.88922185e-12 -4.31156782e-01 -8.21550060e-02] [-5.22624066e-12 -1.38966439e-01 -7.22211902e-02] [-4.64524187e-12 1.38966439e-01 7.22211902e-02] [-2.76461840e-12 4.31156782e-01 8.21550060e-02] [ 2.91775675e-12 -4.31156782e-01 -8.21550060e-02] [ 4.93752955e-12 -1.38966439e-01 -7.22211902e-02] [ 5.49902344e-12 1.38966439e-01 7.22211902e-02] [ 2.06234400e-12 4.31156782e-01 8.21550060e-02] [-5.26209501e-12 2.45558990e-02 -1.19828409e-01] [-5.03964145e-12 -2.45558990e-02 1.19828409e-01] [ 1.91686716e-12 2.45558990e-02 -1.19828409e-01] [ 1.33979850e-12 -2.45558990e-02 1.19828409e-01] [-1.54278803e-12 -2.89046617e-01 -3.13701100e-02] [-1.21076483e-12 2.89046617e-01 3.13701100e-02] [ 4.63237612e-12 -2.89046617e-01 -3.13701100e-02] [ 4.27186758e-12 2.89046617e-01 3.13701100e-02]] Final stress: [-3.54689053e-03 5.02389264e-03 4.70061090e-03 -3.48464484e-02 1.59889812e-15 -2.35454785e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.15125009e-12 1.38966439e-01 -7.22211902e-02] [-3.14237503e-12 4.31156782e-01 -8.21550060e-02] [-4.44491199e-12 -4.31156782e-01 8.21550060e-02] [-5.36691438e-12 -1.38966439e-01 7.22211902e-02] [ 5.68348526e-12 1.38966439e-01 -7.22211902e-02] [ 4.80976110e-12 4.31156782e-01 -8.21550060e-02] [ 3.44707672e-12 -4.31156782e-01 8.21550060e-02] [ 5.61476516e-12 -1.38966439e-01 7.22211902e-02] [-5.31379780e-12 2.45558990e-02 1.19828409e-01] [-5.31035285e-12 -2.45558989e-02 -1.19828409e-01] [ 1.53028057e-12 2.45558990e-02 1.19828409e-01] [ 2.33948798e-12 -2.45558990e-02 -1.19828409e-01] [-1.44009717e-12 -2.89046617e-01 3.13701100e-02] [-2.04490835e-12 2.89046617e-01 -3.13701100e-02] [ 4.29216826e-12 -2.89046617e-01 3.13701100e-02] [ 4.50180586e-12 2.89046617e-01 -3.13701100e-02]] Final stress: [-3.54689053e-03 5.02389264e-03 4.70061090e-03 3.48464484e-02 6.68859960e-15 1.90810088e-15] Minimization converged after 6 steps. Minimization converged after 6 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 6 steps. Minimization converged after 5 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.91081992e-11 -2.22789128e+00 -1.30744197e-01] [-3.03973324e-11 -1.29407731e+00 1.00792796e+00] [-2.65867453e-11 1.29407731e+00 -1.00792796e+00] [-3.35526390e-11 2.22789128e+00 1.30744197e-01] [ 3.40758463e-11 -2.22789128e+00 -1.30744197e-01] [ 3.12606495e-11 -1.29407731e+00 1.00792796e+00] [ 3.32571007e-11 1.29407731e+00 -1.00792796e+00] [ 3.82889749e-11 2.22789128e+00 1.30744197e-01] [-2.39438998e-11 1.02144511e+00 -3.90413257e-01] [-2.83733774e-11 -1.02144511e+00 3.90413257e-01] [-1.17428499e-11 1.02144511e+00 -3.90413257e-01] [ 3.57200207e-12 -1.02144511e+00 3.90413257e-01] [ 1.41082484e-11 -2.27037789e+00 -2.36574500e-01] [-2.80395658e-12 2.27037789e+00 2.36574500e-01] [ 1.87760933e-11 -2.27037789e+00 -2.36574500e-01] [ 2.31646173e-11 2.27037789e+00 2.36574500e-01]] Final stress: [-5.55051465e-04 5.36959814e-02 2.02215024e-02 -2.83889061e-01 -1.66229893e-14 7.53656370e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.86163716e-11 1.29407755e+00 1.00792905e+00] [-2.78727709e-11 2.22789178e+00 -1.30743576e-01] [-3.06096798e-11 -2.22789178e+00 1.30743576e-01] [-2.13703760e-11 -1.29407755e+00 -1.00792905e+00] [ 2.19771469e-11 1.29407755e+00 1.00792905e+00] [ 3.16039820e-11 2.22789178e+00 -1.30743576e-01] [ 2.78373113e-11 -2.22789178e+00 1.30743576e-01] [-1.20599238e-11 -1.29407755e+00 -1.00792905e+00] [-1.64556433e-11 1.02144631e+00 3.90413210e-01] [-1.48734471e-11 -1.02144631e+00 -3.90413210e-01] [ 7.54243890e-12 1.02144631e+00 3.90413210e-01] [-1.27715156e-12 -1.02144631e+00 -3.90413210e-01] [-5.32464871e-12 -2.27037953e+00 2.36574550e-01] [-4.82903856e-12 2.27037953e+00 -2.36574550e-01] [ 1.45724474e-11 -2.27037953e+00 2.36574550e-01] [ 1.25223470e-11 2.27037953e+00 -2.36574550e-01]] Final stress: [-5.55059884e-04 5.36960023e-02 2.02215069e-02 2.83889131e-01 1.38780396e-13 -2.87767580e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 27 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01768637 -0.12969828 0.03178857] [-0.01890774 -0.13036416 0.01904385] [ 0.01890774 0.13036416 -0.01904385] [ 0.01768637 0.12969828 -0.03178857] [-0.01768637 -0.12969828 0.03178857] [-0.01890774 -0.13036416 0.01904385] [ 0.01890774 0.13036416 -0.01904385] [ 0.01768637 0.12969828 -0.03178857] [ 0.00066368 0.04119807 -0.05533631] [-0.00066368 -0.04119807 0.05533631] [ 0.00066368 0.04119807 -0.05533631] [-0.00066368 -0.04119807 0.05533631] [-0.00025042 -0.04773973 -0.01404641] [ 0.00025042 0.04773973 0.01404641] [-0.00025042 -0.04773973 -0.01404641] [ 0.00025042 0.04773973 0.01404641]] Final stress: [-3.59874692e-04 5.19882913e-04 8.08997620e-05 -1.43481255e-02 -2.60145776e-04 4.39676064e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01768637 -0.12969828 0.03178857] [ 0.01890774 -0.13036416 0.01904384] [-0.01890774 0.13036416 -0.01904384] [-0.01768637 0.12969828 -0.03178857] [ 0.01768637 -0.12969828 0.03178857] [ 0.01890774 -0.13036416 0.01904384] [-0.01890774 0.13036416 -0.01904384] [-0.01768637 0.12969828 -0.03178857] [-0.00066368 0.04119807 -0.05533631] [ 0.00066368 -0.04119807 0.05533631] [-0.00066368 0.04119807 -0.05533631] [ 0.00066368 -0.04119807 0.05533631] [ 0.00025042 -0.04773973 -0.01404641] [-0.00025042 0.04773973 0.01404641] [ 0.00025042 -0.04773973 -0.01404641] [-0.00025042 0.04773973 0.01404641]] Final stress: [-3.59874697e-04 5.19882915e-04 8.08997659e-05 -1.43481255e-02 2.60145823e-04 -4.39676053e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01890774 0.13036416 0.01904384] [-0.01768637 0.12969828 0.03178857] [ 0.01768637 -0.12969828 -0.03178857] [ 0.01890774 -0.13036416 -0.01904384] [-0.01890774 0.13036416 0.01904384] [-0.01768637 0.12969828 0.03178857] [ 0.01768637 -0.12969828 -0.03178857] [ 0.01890774 -0.13036416 -0.01904384] [-0.00066368 0.04119807 0.05533631] [ 0.00066368 -0.04119807 -0.05533631] [-0.00066368 0.04119807 0.05533631] [ 0.00066368 -0.04119807 -0.05533631] [ 0.00025042 -0.04773973 0.01404641] [-0.00025042 0.04773973 -0.01404641] [ 0.00025042 -0.04773973 0.01404641] [-0.00025042 0.04773973 -0.01404641]] Final stress: [-3.59874694e-04 5.19882913e-04 8.08997633e-05 1.43481255e-02 -2.60145792e-04 -4.39676062e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01890774 0.13036416 0.01904385] [ 0.01768637 0.12969828 0.03178857] [-0.01768637 -0.12969828 -0.03178857] [-0.01890774 -0.13036416 -0.01904385] [ 0.01890774 0.13036416 0.01904385] [ 0.01768637 0.12969828 0.03178857] [-0.01768637 -0.12969828 -0.03178857] [-0.01890774 -0.13036416 -0.01904385] [ 0.00066368 0.04119807 0.05533631] [-0.00066368 -0.04119807 -0.05533631] [ 0.00066368 0.04119807 0.05533631] [-0.00066368 -0.04119807 -0.05533631] [-0.00025042 -0.04773973 0.01404641] [ 0.00025042 0.04773973 -0.01404641] [-0.00025042 -0.04773973 0.01404641] [ 0.00025042 0.04773973 -0.01404641]] Final stress: [-3.59874690e-04 5.19882912e-04 8.08997607e-05 1.43481255e-02 2.60145760e-04 4.39676066e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.44440948 -0.24053997 0.12025531] [ 0.45175372 -0.23479048 0.10478306] [-0.45175372 0.23479048 -0.10478306] [ 0.44440948 0.24053997 -0.12025531] [-0.44440948 -0.24053997 0.12025531] [ 0.45175372 -0.23479048 0.10478306] [-0.45175372 0.23479048 -0.10478306] [ 0.44440948 0.24053997 -0.12025531] [ 0.06827444 0.06210196 -0.10421111] [-0.06827444 -0.06210196 0.10421111] [ 0.06827444 0.06210196 -0.10421111] [-0.06827444 -0.06210196 0.10421111] [-0.18924866 -0.0842773 -0.02451935] [ 0.18924866 0.0842773 0.02451935] [-0.18924866 -0.0842773 -0.02451935] [ 0.18924866 0.0842773 0.02451935]] Final stress: [ 0.00035434 0.00058966 -0.00130388 -0.02811217 -0.00026208 -0.0039304 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.44440948 -0.24053997 0.12025531] [-0.45175372 -0.23479048 0.10478306] [ 0.45175372 0.23479048 -0.10478306] [-0.44440948 0.24053997 -0.12025531] [ 0.44440948 -0.24053997 0.12025531] [-0.45175372 -0.23479048 0.10478306] [ 0.45175372 0.23479048 -0.10478306] [-0.44440948 0.24053997 -0.12025531] [-0.06827444 0.06210196 -0.10421111] [ 0.06827444 -0.06210196 0.10421111] [-0.06827444 0.06210196 -0.10421111] [ 0.06827444 -0.06210196 0.10421111] [ 0.18924866 -0.0842773 -0.02451935] [-0.18924866 0.0842773 0.02451935] [ 0.18924866 -0.0842773 -0.02451935] [-0.18924866 0.0842773 0.02451935]] Final stress: [ 0.00035434 0.00058966 -0.00130388 -0.02811217 0.00026208 0.0039304 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.45175372 0.23479048 0.10478306] [ 0.44440948 0.24053997 0.12025531] [-0.44440948 -0.24053997 -0.12025531] [ 0.45175372 -0.23479048 -0.10478306] [-0.45175372 0.23479048 0.10478306] [ 0.44440948 0.24053997 0.12025531] [-0.44440948 -0.24053997 -0.12025531] [ 0.45175372 -0.23479048 -0.10478306] [ 0.06827444 0.06210196 0.10421111] [-0.06827444 -0.06210196 -0.10421111] [ 0.06827444 0.06210196 0.10421111] [-0.06827444 -0.06210196 -0.10421111] [-0.18924866 -0.0842773 0.02451935] [ 0.18924866 0.0842773 -0.02451935] [-0.18924866 -0.0842773 0.02451935] [ 0.18924866 0.0842773 -0.02451935]] Final stress: [ 0.00035434 0.00058966 -0.00130388 0.02811217 0.00026208 -0.0039304 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.45175372 0.23479048 0.10478306] [-0.44440948 0.24053997 0.12025531] [ 0.44440948 -0.24053997 -0.12025531] [-0.45175372 -0.23479048 -0.10478306] [ 0.45175372 0.23479048 0.10478306] [-0.44440948 0.24053997 0.12025531] [ 0.44440948 -0.24053997 -0.12025531] [-0.45175372 -0.23479048 -0.10478306] [-0.06827444 0.06210196 0.10421111] [ 0.06827444 -0.06210196 -0.10421111] [-0.06827444 0.06210196 0.10421111] [ 0.06827444 -0.06210196 -0.10421111] [ 0.18924866 -0.0842773 0.02451935] [-0.18924866 0.0842773 -0.02451935] [ 0.18924866 -0.0842773 0.02451935] [-0.18924866 0.0842773 -0.02451935]] Final stress: [ 0.00035434 0.00058966 -0.00130388 0.02811217 -0.00026208 0.0039304 ] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.0003118 0.00638601 0.0042477 ] [ 0.00871652 0.00148883 -0.00380471] [-0.00871652 -0.00148883 0.00380472] [ 0.00031181 -0.00638601 -0.0042477 ] [-0.00031181 0.00638601 0.0042477 ] [ 0.00871652 0.00148883 -0.00380471] [-0.00871652 -0.00148883 0.00380471] [ 0.0003118 -0.00638601 -0.0042477 ] [ 0.00479382 0.00843302 -0.00142507] [-0.00479382 -0.00843302 0.00142507] [ 0.00479382 0.00843302 -0.00142507] [-0.00479382 -0.00843302 0.00142507] [-0.0060335 0.00219766 0.00589259] [ 0.0060335 -0.00219766 -0.00589259] [-0.0060335 0.00219766 0.00589259] [ 0.0060335 -0.00219766 -0.00589259]] Final stress: [ 1.76486945e-04 6.19880601e-05 1.04831090e-04 1.26944693e-03 1.39904873e-04 -2.59931853e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.0087223 -0.00149061 -0.00380582] [-0.00031608 -0.00638417 0.00424628] [ 0.00031608 0.00638417 -0.00424628] [-0.0087223 0.00149061 0.00380582] [ 0.0087223 -0.00149061 -0.00380582] [-0.00031608 -0.00638417 0.00424628] [ 0.00031608 0.00638417 -0.00424627] [-0.0087223 0.00149061 0.00380582] [-0.00479513 0.00843624 0.00142504] [ 0.00479513 -0.00843624 -0.00142504] [-0.00479513 0.00843624 0.00142504] [ 0.00479513 -0.00843624 -0.00142504] [ 0.00603538 0.00219315 -0.00589259] [-0.00603538 -0.00219315 0.00589259] [ 0.00603538 0.00219315 -0.00589259] [-0.00603538 -0.00219315 0.00589259]] Final stress: [ 1.76414904e-04 6.20980293e-05 1.04938304e-04 -1.26943527e-03 1.39918383e-04 2.59950095e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.0087203 -0.0014848 -0.0038027 ] [ 0.0003114 -0.00639067 0.004247 ] [-0.0003114 0.00639067 -0.004247 ] [ 0.0087203 0.0014848 0.0038027 ] [-0.0087203 -0.0014848 -0.0038027 ] [ 0.0003114 -0.00639067 0.004247 ] [-0.0003114 0.00639067 -0.004247 ] [ 0.0087203 0.0014848 0.0038027 ] [ 0.00479651 0.00843603 0.00142355] [-0.00479651 -0.00843603 -0.00142355] [ 0.00479651 0.00843603 0.00142355] [-0.00479651 -0.00843603 -0.00142355] [-0.00603608 0.00219819 -0.00589417] [ 0.00603608 -0.00219819 0.00589417] [-0.00603608 0.00219819 -0.00589417] [ 0.00603608 -0.00219819 0.00589417]] Final stress: [ 1.76397026e-04 6.18853598e-05 1.04752864e-04 -1.26946784e-03 -1.39942089e-04 -2.59974428e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00033461 0.00638296 0.00424688] [-0.00873703 0.00149195 -0.00380622] [ 0.00873703 -0.00149195 0.00380622] [-0.00033461 -0.00638296 -0.00424687] [ 0.00033461 0.00638296 0.00424687] [-0.00873703 0.00149195 -0.00380622] [ 0.00873703 -0.00149195 0.00380622] [-0.00033461 -0.00638296 -0.00424688] [-0.00479541 0.0084253 -0.00142472] [ 0.00479541 -0.0084253 0.00142472] [-0.00479541 0.0084253 -0.00142472] [ 0.00479541 -0.0084253 0.00142472] [ 0.00603827 0.00219197 0.00589305] [-0.00603827 -0.00219197 -0.00589305] [ 0.00603827 0.00219197 0.00589305] [-0.00603827 -0.00219197 -0.00589305]] Final stress: [ 1.76396968e-04 6.19951432e-05 1.04811022e-04 1.26947636e-03 -1.39884956e-04 2.59952784e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.92765910e-11 -1.03312118e+00 8.58245917e-01] [ 2.78268819e-11 -1.07278097e+00 6.17659564e-01] [-2.45274559e-11 1.07278097e+00 -6.17659564e-01] [-3.84631207e-11 1.03312118e+00 -8.58245917e-01] [ 3.98851240e-11 -1.03312118e+00 8.58245917e-01] [ 1.83666090e-11 -1.07278097e+00 6.17659564e-01] [-2.40102965e-11 1.07278097e+00 -6.17659564e-01] [ 1.65547472e-11 1.03312118e+00 -8.58245917e-01] [ 2.67307506e-11 4.76523032e-01 -4.94846747e-01] [-1.67592069e-11 -4.76523032e-01 4.94846747e-01] [-6.12232574e-12 4.76523032e-01 -4.94846747e-01] [ 1.15498223e-11 -4.76523032e-01 4.94846747e-01] [ 2.81915507e-12 -1.49220293e+00 -3.64969509e-01] [-7.20870594e-12 1.49220293e+00 3.64969509e-01] [-2.38083222e-11 -1.49220293e+00 -3.64969509e-01] [ 1.64376754e-11 1.49220293e+00 3.64969509e-01]] Final stress: [-1.03389992e-02 1.04491081e-02 -8.63542635e-03 -1.57574211e-01 2.85503341e-13 -1.26122362e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.39264361e-11 1.07277952e+00 6.17653995e-01] [-2.62420641e-11 1.03311965e+00 8.58239391e-01] [-4.91359543e-11 -1.03311965e+00 -8.58239391e-01] [-3.63767905e-11 -1.07277952e+00 -6.17653995e-01] [ 4.02313927e-11 1.07277952e+00 6.17653995e-01] [ 4.58866582e-11 1.03311965e+00 8.58239391e-01] [ 2.82550530e-11 -1.03311965e+00 -8.58239391e-01] [ 2.68181627e-11 -1.07277952e+00 -6.17653995e-01] [ 2.62066209e-11 4.76518430e-01 4.94845906e-01] [-3.15512495e-11 -4.76518430e-01 -4.94845906e-01] [-1.46982838e-12 4.76518430e-01 4.94845906e-01] [ 2.14148517e-11 -4.76518430e-01 -4.94845906e-01] [ 3.50141530e-12 -1.49219670e+00 3.64968736e-01] [-1.68568517e-11 1.49219670e+00 -3.64968736e-01] [-2.30885155e-11 -1.49219670e+00 3.64968736e-01] [ 2.63310901e-11 1.49219670e+00 -3.64968736e-01]] Final stress: [-1.03389846e-02 1.04490710e-02 -8.63536665e-03 1.57573988e-01 1.24959308e-13 -1.07926166e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.49820558e-11 -1.75691998e+00 -4.95019485e+00] [-8.49142850e-11 -2.74078770e+00 -3.84040460e+00] [-8.37798496e-11 2.74078770e+00 3.84040460e+00] [-1.58836260e-11 1.75691998e+00 4.95019485e+00] [ 1.65490746e-11 -1.75691998e+00 -4.95019485e+00] [ 7.91684357e-11 -2.74078770e+00 -3.84040460e+00] [ 8.60467011e-11 2.74078770e+00 3.84040460e+00] [ 5.28176912e-11 1.75691998e+00 4.95019485e+00] [-1.28454756e-11 -1.53312187e+00 -6.79000352e-01] [-4.14602779e-11 1.53312187e+00 6.79000352e-01] [ 2.46128120e-11 -1.53312187e+00 -6.79000352e-01] [ 2.31920195e-11 1.53312187e+00 6.79000352e-01] [-1.54928722e-11 1.99554200e+00 4.54899951e-01] [-1.20959596e-11 -1.99554200e+00 -4.54899951e-01] [ 6.32713290e-12 1.99554200e+00 4.54899951e-01] [ 3.27473374e-11 -1.99554200e+00 -4.54899951e-01]] Final stress: [-5.44122987e-03 3.53694176e-02 4.14067872e-02 -3.40459635e-01 -1.94698349e-13 -1.07745641e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.42843810e-11 2.74078770e+00 -3.84040460e+00] [-3.51471699e-11 1.75691998e+00 -4.95019485e+00] [-1.95372499e-11 -1.75691998e+00 4.95019485e+00] [-9.61583478e-11 -2.74078770e+00 3.84040460e+00] [ 9.37494446e-11 2.74078770e+00 -3.84040460e+00] [ 1.80348293e-11 1.75691998e+00 -4.95019485e+00] [ 3.49650356e-11 -1.75691998e+00 4.95019485e+00] [ 5.77638612e-11 -2.74078770e+00 3.84040460e+00] [-5.34949775e-12 -1.53312187e+00 6.79000352e-01] [-3.27688883e-11 1.53312187e+00 -6.79000352e-01] [ 2.59005471e-11 -1.53312187e+00 6.79000352e-01] [ 1.61893758e-11 1.53312187e+00 -6.79000352e-01] [-1.16825959e-11 1.99554200e+00 -4.54899951e-01] [-8.94054861e-12 -1.99554200e+00 4.54899951e-01] [ 4.83092289e-12 1.99554200e+00 -4.54899951e-01] [ 2.24383112e-11 -1.99554200e+00 4.54899951e-01]] Final stress: [-5.44122987e-03 3.53694176e-02 4.14067872e-02 3.40459635e-01 1.17352498e-14 -1.29932568e-13] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.80938465e-12 -2.24933445e-01 5.82180448e-01] [-6.44071385e-12 -6.57989042e-01 4.73984244e-01] [-1.84269527e-12 6.57989042e-01 -4.73984244e-01] [-7.14408220e-12 2.24933445e-01 -5.82180448e-01] [ 7.39306815e-12 -2.24933445e-01 5.82180448e-01] [ 1.75763007e-12 -6.57989042e-01 4.73984244e-01] [ 6.87796207e-12 6.57989042e-01 -4.73984244e-01] [ 6.69613345e-12 2.24933445e-01 -5.82180448e-01] [-7.07522149e-14 4.16598252e-02 -2.21208275e-01] [-2.35703210e-12 -4.16598252e-02 2.21208275e-01] [ 1.51089720e-12 4.16598251e-02 -2.21208275e-01] [ 2.37616133e-12 -4.16598251e-02 2.21208275e-01] [-1.31563163e-12 2.31039431e-01 -4.07355075e-02] [-2.13438325e-12 -2.31039431e-01 4.07355076e-02] [-1.40952476e-13 2.31039431e-01 -4.07355075e-02] [ 1.65197259e-12 -2.31039431e-01 4.07355075e-02]] Final stress: [ 1.01378813e-02 -8.22856943e-03 -1.45641045e-02 -5.28069868e-02 -1.94058838e-14 -1.29714337e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.47394583e-12 6.57989042e-01 4.73984244e-01] [-8.24999075e-12 2.24933445e-01 5.82180448e-01] [-7.22838076e-12 -2.24933445e-01 -5.82180448e-01] [-1.00332598e-11 -6.57989042e-01 -4.73984244e-01] [ 1.00605946e-11 6.57989042e-01 4.73984244e-01] [ 6.96854987e-12 2.24933445e-01 5.82180448e-01] [ 8.38490367e-12 -2.24933445e-01 -5.82180448e-01] [ 8.07563131e-12 -6.57989042e-01 -4.73984244e-01] [-1.54921497e-12 4.16598251e-02 2.21208275e-01] [-6.92287373e-13 -4.16598252e-02 -2.21208275e-01] [ 2.03225002e-12 4.16598252e-02 2.21208275e-01] [ 3.83385164e-12 -4.16598252e-02 -2.21208275e-01] [-1.45702244e-12 2.31039431e-01 4.07355075e-02] [-3.06258279e-12 -2.31039431e-01 -4.07355076e-02] [ 1.22078472e-12 2.31039431e-01 4.07355075e-02] [ 1.62390609e-13 -2.31039431e-01 -4.07355075e-02]] Final stress: [ 1.01378813e-02 -8.22856943e-03 -1.45641045e-02 5.28069868e-02 2.23203646e-15 9.52011481e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.24980920e-11 -2.28556018e-01 3.33439311e-02] [-1.02580403e-11 -6.35301029e-02 3.72441808e-02] [-9.24912892e-12 6.35301029e-02 -3.72441808e-02] [-4.70008581e-12 2.28556018e-01 -3.33439311e-02] [ 4.77463175e-12 -2.28556018e-01 3.33439311e-02] [ 8.92077081e-12 -6.35301029e-02 3.72441808e-02] [ 1.02468907e-11 6.35301029e-02 -3.72441808e-02] [ 1.21590804e-11 2.28556018e-01 -3.33439311e-02] [-5.87801184e-12 -1.01648401e-02 -5.81579793e-02] [-6.05464550e-12 1.01648401e-02 5.81579793e-02] [ 3.58574379e-12 -1.01648401e-02 -5.81579793e-02] [ 8.76973971e-12 1.01648401e-02 5.81579793e-02] [-2.95341616e-12 -1.33953074e-01 -1.90922532e-02] [-7.20714130e-12 1.33953074e-01 1.90922532e-02] [ 4.91719560e-12 -1.33953074e-01 -1.90922532e-02] [ 5.41613466e-12 1.33953074e-01 1.90922532e-02]] Final stress: [-2.26823682e-04 1.75669808e-03 9.43901038e-04 -1.80656095e-02 -3.89073337e-14 2.56506585e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.05294389e-11 6.35301029e-02 3.72441808e-02] [-4.04057690e-12 2.28556018e-01 3.33439311e-02] [-3.41976751e-12 -2.28556018e-01 -3.33439311e-02] [-4.07355139e-12 -6.35301029e-02 -3.72441808e-02] [ 4.24177024e-12 6.35301029e-02 3.72441808e-02] [ 3.47133433e-12 2.28556018e-01 3.33439311e-02] [ 4.18447742e-12 -2.28556018e-01 -3.33439311e-02] [ 1.05350548e-11 -6.35301029e-02 -3.72441808e-02] [-5.77855190e-12 -1.01648401e-02 5.81579793e-02] [-4.89559955e-12 1.01648401e-02 -5.81579793e-02] [ 3.79475184e-12 -1.01648401e-02 5.81579793e-02] [ 3.40986961e-12 1.01648401e-02 -5.81579793e-02] [-3.55416044e-12 -1.33953074e-01 1.90922532e-02] [-2.52261477e-12 1.33953074e-01 -1.90922532e-02] [ 4.77711445e-12 -1.33953074e-01 1.90922532e-02] [ 4.39736076e-12 1.33953074e-01 -1.90922532e-02]] Final stress: [-2.26823682e-04 1.75669808e-03 9.43901038e-04 1.80656095e-02 -3.07977951e-14 5.30148777e-16] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.78003405e-11 -1.21034827e+00 1.35776639e-01] [-2.67498530e-11 -6.94246819e-01 4.41029492e-01] [-2.05869468e-11 6.94246819e-01 -4.41029492e-01] [-2.38501536e-11 1.21034827e+00 -1.35776639e-01] [ 2.38276997e-11 -1.21034827e+00 1.35776639e-01] [ 1.84773143e-11 -6.94246819e-01 4.41029492e-01] [ 2.69547099e-11 6.94246819e-01 -4.41029492e-01] [ 2.68430673e-11 1.21034827e+00 -1.35776639e-01] [-2.29110684e-11 8.06322205e-01 -2.42299353e-01] [-3.37864467e-11 -8.06322205e-01 2.42299353e-01] [ 3.22838326e-11 8.06322205e-01 -2.42299353e-01] [ 3.14794553e-11 -8.06322205e-01 2.42299353e-01] [-2.73090747e-11 -1.29762113e+00 -1.87857956e-01] [-2.69886045e-11 1.29762113e+00 1.87857956e-01] [ 2.07998732e-11 -1.29762113e+00 -1.87857956e-01] [ 2.93216855e-11 1.29762113e+00 1.87857956e-01]] Final stress: [-8.63006801e-03 2.44410245e-02 1.10867041e-02 -1.42813882e-01 -4.46204109e-14 -4.10588067e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.32776919e-11 6.94246667e-01 4.41028359e-01] [-2.30697447e-11 1.21034790e+00 1.35775635e-01] [-2.36942362e-11 -1.21034790e+00 -1.35775635e-01] [-2.27890285e-11 -6.94246667e-01 -4.41028359e-01] [ 2.28561818e-11 6.94246667e-01 4.41028359e-01] [ 2.31078264e-11 1.21034790e+00 1.35775635e-01] [ 2.31630040e-11 -1.21034790e+00 -1.35775635e-01] [ 2.22504324e-11 -6.94246667e-01 -4.41028359e-01] [-2.28872065e-11 8.06321138e-01 2.42299333e-01] [-3.56741459e-11 -8.06321138e-01 -2.42299333e-01] [ 3.34566020e-11 8.06321138e-01 2.42299333e-01] [ 3.13248511e-11 -8.06321138e-01 -2.42299333e-01] [-2.88793980e-11 -1.29761990e+00 1.87857895e-01] [-2.72672508e-11 1.29761990e+00 -1.87857895e-01] [ 2.02585422e-11 -1.29761990e+00 1.87857895e-01] [ 3.11144413e-11 1.29761990e+00 -1.87857895e-01]] Final stress: [-8.63006493e-03 2.44410121e-02 1.10867077e-02 1.42813842e-01 6.80763429e-16 -5.26508286e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 24 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.02762775e-02 -8.13663919e-02 3.12088673e-02] [-1.07497035e-02 -8.08806512e-02 2.32846499e-02] [ 1.07497035e-02 8.08806512e-02 -2.32846499e-02] [ 1.02762776e-02 8.13663919e-02 -3.12088673e-02] [-1.02762776e-02 -8.13663919e-02 3.12088673e-02] [-1.07497035e-02 -8.08806512e-02 2.32846499e-02] [ 1.07497035e-02 8.08806512e-02 -2.32846499e-02] [ 1.02762775e-02 8.13663919e-02 -3.12088674e-02] [ 2.55462113e-04 4.39358939e-02 -3.44773133e-02] [-2.55462111e-04 -4.39358939e-02 3.44773133e-02] [ 2.55462114e-04 4.39358939e-02 -3.44773133e-02] [-2.55462116e-04 -4.39358939e-02 3.44773133e-02] [-9.67102461e-05 -4.87492795e-02 -8.79409939e-03] [ 9.67102477e-05 4.87492795e-02 8.79409939e-03] [-9.67102451e-05 -4.87492795e-02 -8.79409939e-03] [ 9.67102432e-05 4.87492795e-02 8.79409939e-03]] Final stress: [-4.13346837e-04 4.83043135e-04 9.55156264e-05 -8.95150157e-03 -1.46309610e-04 1.72987257e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.02762817e-02 -8.13663921e-02 3.12088670e-02] [ 1.07497077e-02 -8.08806515e-02 2.32846494e-02] [-1.07497077e-02 8.08806515e-02 -2.32846494e-02] [-1.02762818e-02 8.13663921e-02 -3.12088670e-02] [ 1.02762818e-02 -8.13663921e-02 3.12088670e-02] [ 1.07497077e-02 -8.08806515e-02 2.32846494e-02] [-1.07497077e-02 8.08806515e-02 -2.32846494e-02] [-1.02762817e-02 8.13663921e-02 -3.12088670e-02] [-2.55462132e-04 4.39358942e-02 -3.44773135e-02] [ 2.55462131e-04 -4.39358942e-02 3.44773135e-02] [-2.55462131e-04 4.39358942e-02 -3.44773135e-02] [ 2.55462130e-04 -4.39358942e-02 3.44773135e-02] [ 9.67102521e-05 -4.87492797e-02 -8.79409936e-03] [-9.67102514e-05 4.87492797e-02 8.79409936e-03] [ 9.67102531e-05 -4.87492797e-02 -8.79409936e-03] [-9.67102519e-05 4.87492797e-02 8.79409936e-03]] Final stress: [-4.13346851e-04 4.83043140e-04 9.55156367e-05 -8.95150159e-03 1.46309685e-04 -1.72987247e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.07496824e-02 8.08806497e-02 2.32846524e-02] [-1.02762565e-02 8.13663909e-02 3.12088693e-02] [ 1.02762565e-02 -8.13663909e-02 -3.12088693e-02] [ 1.07496824e-02 -8.08806497e-02 -2.32846524e-02] [-1.07496824e-02 8.08806497e-02 2.32846524e-02] [-1.02762565e-02 8.13663909e-02 3.12088692e-02] [ 1.02762565e-02 -8.13663909e-02 -3.12088693e-02] [ 1.07496824e-02 -8.08806497e-02 -2.32846524e-02] [-2.55462037e-04 4.39358926e-02 3.44773124e-02] [ 2.55462031e-04 -4.39358926e-02 -3.44773124e-02] [-2.55462035e-04 4.39358926e-02 3.44773124e-02] [ 2.55462034e-04 -4.39358926e-02 -3.44773124e-02] [ 9.67102239e-05 -4.87492783e-02 8.79409952e-03] [-9.67102231e-05 4.87492783e-02 -8.79409952e-03] [ 9.67102259e-05 -4.87492783e-02 8.79409952e-03] [-9.67102204e-05 4.87492783e-02 -8.79409952e-03]] Final stress: [-4.13346771e-04 4.83043107e-04 9.55155751e-05 8.95150146e-03 -1.46309236e-04 -1.72987292e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.07496838e-02 8.08806498e-02 2.32846522e-02] [ 1.02762579e-02 8.13663910e-02 3.12088691e-02] [-1.02762579e-02 -8.13663910e-02 -3.12088691e-02] [-1.07496838e-02 -8.08806498e-02 -2.32846522e-02] [ 1.07496838e-02 8.08806498e-02 2.32846522e-02] [ 1.02762579e-02 8.13663910e-02 3.12088691e-02] [-1.02762579e-02 -8.13663910e-02 -3.12088691e-02] [-1.07496838e-02 -8.08806498e-02 -2.32846522e-02] [ 2.55462041e-04 4.39358927e-02 3.44773125e-02] [-2.55462040e-04 -4.39358927e-02 -3.44773125e-02] [ 2.55462040e-04 4.39358927e-02 3.44773125e-02] [-2.55462041e-04 -4.39358927e-02 -3.44773125e-02] [-9.67102243e-05 -4.87492783e-02 8.79409951e-03] [ 9.67102258e-05 4.87492784e-02 -8.79409951e-03] [-9.67102258e-05 -4.87492783e-02 8.79409951e-03] [ 9.67102249e-05 4.87492784e-02 -8.79409951e-03]] Final stress: [-4.13346775e-04 4.83043109e-04 9.55155786e-05 8.95150147e-03 1.46309261e-04 1.72987287e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.39611822 -0.22142642 0.17209805] [ 0.40241391 -0.20924067 0.15815032] [-0.40241391 0.20924067 -0.15815032] [ 0.39611822 0.22142642 -0.17209805] [-0.39611822 -0.22142642 0.17209805] [ 0.40241391 -0.20924067 0.15815032] [-0.40241391 0.20924067 -0.15815032] [ 0.39611822 0.22142642 -0.17209805] [ 0.06327978 0.09811138 -0.09561256] [-0.06327978 -0.09811138 0.09561256] [ 0.06327978 0.09811138 -0.09561256] [-0.06327978 -0.09811138 0.09561256] [-0.17403475 -0.12432282 -0.02228524] [ 0.17403475 0.12432282 0.02228524] [-0.17403475 -0.12432282 -0.02228524] [ 0.17403475 0.12432282 0.02228524]] Final stress: [ 0.00038325 0.00071943 -0.0017434 -0.02605232 -0.00022354 -0.00366077] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.39611822 -0.22142642 0.17209805] [-0.40241391 -0.20924067 0.15815032] [ 0.40241391 0.20924067 -0.15815032] [-0.39611822 0.22142642 -0.17209805] [ 0.39611822 -0.22142642 0.17209805] [-0.40241391 -0.20924067 0.15815032] [ 0.40241391 0.20924067 -0.15815032] [-0.39611822 0.22142642 -0.17209805] [-0.06327978 0.09811138 -0.09561256] [ 0.06327978 -0.09811138 0.09561256] [-0.06327978 0.09811138 -0.09561256] [ 0.06327978 -0.09811138 0.09561256] [ 0.17403475 -0.12432282 -0.02228524] [-0.17403475 0.12432282 0.02228524] [ 0.17403475 -0.12432282 -0.02228524] [-0.17403475 0.12432282 0.02228524]] Final stress: [ 0.00038325 0.00071943 -0.0017434 -0.02605232 0.00022354 0.00366077] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.40241391 0.20924067 0.15815032] [ 0.39611822 0.22142642 0.17209805] [-0.39611822 -0.22142642 -0.17209805] [ 0.40241391 -0.20924067 -0.15815032] [-0.40241391 0.20924067 0.15815032] [ 0.39611822 0.22142642 0.17209805] [-0.39611822 -0.22142642 -0.17209805] [ 0.40241391 -0.20924067 -0.15815032] [ 0.06327978 0.09811138 0.09561256] [-0.06327978 -0.09811138 -0.09561256] [ 0.06327978 0.09811138 0.09561256] [-0.06327978 -0.09811138 -0.09561256] [-0.17403475 -0.12432282 0.02228524] [ 0.17403475 0.12432282 -0.02228524] [-0.17403475 -0.12432282 0.02228524] [ 0.17403475 0.12432282 -0.02228524]] Final stress: [ 0.00038325 0.00071943 -0.0017434 0.02605232 0.00022354 -0.00366077] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.40241391 0.20924067 0.15815032] [-0.39611822 0.22142642 0.17209805] [ 0.39611822 -0.22142642 -0.17209805] [-0.40241391 -0.20924067 -0.15815032] [ 0.40241391 0.20924067 0.15815032] [-0.39611822 0.22142642 0.17209805] [ 0.39611822 -0.22142642 -0.17209805] [-0.40241391 -0.20924067 -0.15815032] [-0.06327978 0.09811138 0.09561256] [ 0.06327978 -0.09811138 -0.09561256] [-0.06327978 0.09811138 0.09561256] [ 0.06327978 -0.09811138 -0.09561256] [ 0.17403475 -0.12432282 0.02228524] [-0.17403475 0.12432282 -0.02228524] [ 0.17403475 -0.12432282 0.02228524] [-0.17403475 0.12432282 -0.02228524]] Final stress: [ 0.00038325 0.00071943 -0.0017434 0.02605232 -0.00022354 0.00366077] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00037454 0.00462503 0.00695158] [ 0.00967433 0.00287774 -0.00360737] [-0.00967434 -0.00287774 0.00360736] [ 0.00037454 -0.00462503 -0.00695157] [-0.00037454 0.00462503 0.00695158] [ 0.00967434 0.00287774 -0.00360736] [-0.00967433 -0.00287774 0.00360736] [ 0.00037454 -0.00462503 -0.00695158] [ 0.00545127 0.00491105 -0.00203526] [-0.00545127 -0.00491105 0.00203526] [ 0.00545127 0.00491105 -0.00203526] [-0.00545127 -0.00491105 0.00203526] [-0.0067731 -0.00094722 0.00522759] [ 0.0067731 0.00094722 -0.00522759] [-0.0067731 -0.00094722 0.00522759] [ 0.0067731 0.00094722 -0.00522759]] Final stress: [ 1.59141387e-04 5.62143028e-05 6.21833368e-05 1.27446716e-03 1.23562328e-04 -2.26842824e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00968347 -0.00288014 -0.00360625] [-0.00038028 -0.00462285 0.00695154] [ 0.00038028 0.00462286 -0.00695153] [-0.00968347 0.00288014 0.00360623] [ 0.00968347 -0.00288014 -0.00360623] [-0.00038028 -0.00462286 0.00695153] [ 0.00038028 0.00462285 -0.00695155] [-0.00968347 0.00288014 0.00360625] [-0.00545397 0.00490826 0.00203453] [ 0.00545397 -0.00490826 -0.00203453] [-0.00545397 0.00490826 0.00203453] [ 0.00545397 -0.00490826 -0.00203453] [ 0.00677673 -0.00095596 -0.00522837] [-0.00677672 0.00095596 0.00522836] [ 0.00677673 -0.00095596 -0.00522836] [-0.00677673 0.00095596 0.00522837]] Final stress: [ 1.58994863e-04 5.62493096e-05 6.21765213e-05 -1.27447555e-03 1.23592671e-04 2.26890689e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00965678 -0.00286394 -0.00360082] [ 0.00033119 -0.00463934 0.00695626] [-0.0003312 0.00463934 -0.00695624] [ 0.00965678 0.00286394 0.00360081] [-0.00965678 -0.00286394 -0.0036008 ] [ 0.0003312 -0.00463934 0.00695625] [-0.00033119 0.00463934 -0.00695627] [ 0.00965678 0.00286394 0.00360081] [ 0.00546299 0.00491958 0.00203433] [-0.00546299 -0.00491957 -0.00203433] [ 0.00546299 0.00491958 0.00203433] [-0.00546299 -0.00491958 -0.00203433] [-0.0067786 -0.00093531 -0.00522857] [ 0.0067786 0.00093531 0.00522857] [-0.0067786 -0.00093531 -0.00522857] [ 0.0067786 0.00093531 0.00522857]] Final stress: [ 1.59151472e-04 5.58378761e-05 6.18662510e-05 -1.27448741e-03 -1.23790986e-04 -2.27045944e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00034444 0.00462719 0.00695417] [-0.00966048 0.00287555 -0.00360453] [ 0.00966048 -0.00287555 0.00360452] [-0.00034444 -0.00462719 -0.00695416] [ 0.00034444 0.00462719 0.00695416] [-0.00966048 0.00287555 -0.00360452] [ 0.00966048 -0.00287555 0.00360453] [-0.00034444 -0.00462719 -0.00695416] [-0.00545784 0.00491755 -0.00203543] [ 0.00545784 -0.00491755 0.00203543] [-0.00545784 0.00491755 -0.00203543] [ 0.00545784 -0.00491755 0.00203543] [ 0.00677589 -0.00094195 0.00522739] [-0.00677589 0.00094195 -0.00522739] [ 0.00677589 -0.00094195 0.00522739] [-0.00677589 0.00094195 -0.00522739]] Final stress: [ 1.59267941e-04 5.62091344e-05 6.21800549e-05 1.27445659e-03 -1.23706415e-04 2.26979895e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.88829810e-11 -5.15122545e-01 3.54312154e-01] [-2.30703807e-11 -4.88127064e-01 3.18562704e-01] [-2.53373845e-11 4.88127064e-01 -3.18562704e-01] [-1.74303462e-11 5.15122545e-01 -3.54312154e-01] [ 1.72153780e-11 -5.15122545e-01 3.54312154e-01] [ 2.48821046e-11 -4.88127064e-01 3.18562704e-01] [ 2.30745692e-11 4.88127064e-01 -3.18562704e-01] [ 1.85889353e-11 5.15122545e-01 -3.54312154e-01] [-1.80640711e-11 2.59171267e-01 -1.91730621e-01] [-1.90668774e-11 -2.59171267e-01 1.91730620e-01] [ 1.98571812e-11 2.59171267e-01 -1.91730621e-01] [ 1.98624966e-11 -2.59171267e-01 1.91730621e-01] [-1.70333574e-11 -7.15880257e-01 -1.47634772e-01] [-1.66061154e-11 7.15880257e-01 1.47634772e-01] [ 1.55484319e-11 -7.15880257e-01 -1.47634772e-01] [ 1.64676892e-11 7.15880257e-01 1.47634772e-01]] Final stress: [-7.37198281e-03 4.01997218e-03 -2.99195627e-03 -7.42938896e-02 1.91467544e-15 -3.24546339e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.65236468e-11 4.88126536e-01 3.18560702e-01] [-2.49002680e-11 5.15121924e-01 3.54309941e-01] [-2.12654373e-11 -5.15121924e-01 -3.54309941e-01] [-1.75987532e-11 -4.88126536e-01 -3.18560702e-01] [ 1.79229579e-11 4.88126536e-01 3.18560702e-01] [ 2.07693537e-11 5.15121924e-01 3.54309941e-01] [ 2.49605195e-11 -5.15121924e-01 -3.54309941e-01] [ 1.61315930e-11 -4.88126536e-01 -3.18560702e-01] [-2.00646164e-11 2.59169122e-01 1.91730332e-01] [-2.76262494e-11 -2.59169122e-01 -1.91730332e-01] [ 1.70961747e-11 2.59169122e-01 1.91730332e-01] [ 2.02305872e-11 -2.59169122e-01 -1.91730332e-01] [-1.44014536e-11 -7.15877710e-01 1.47634602e-01] [-1.72432445e-11 7.15877710e-01 -1.47634602e-01] [ 1.78400190e-11 -7.15877710e-01 1.47634602e-01] [ 2.46797799e-11 7.15877710e-01 -1.47634602e-01]] Final stress: [-7.37196575e-03 4.01995418e-03 -2.99194373e-03 7.42938130e-02 -1.10074824e-14 -2.92118891e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 7.88161441e-11 -3.00754011e+00 -6.63514327e+00] [-5.26680073e-11 -4.71742238e+00 -5.32114521e+00] [-1.12841800e-10 4.71742238e+00 5.32114521e+00] [ 2.06956969e-11 3.00754011e+00 6.63514327e+00] [-4.70303988e-11 -3.00754011e+00 -6.63514327e+00] [ 2.21486765e-10 -4.71742238e+00 -5.32114521e+00] [ 2.04742615e-11 4.71742238e+00 5.32114521e+00] [-7.51221448e-11 3.00754011e+00 6.63514327e+00] [-2.15551557e-10 -6.60849507e+00 -2.75236616e+00] [ 8.97923385e-11 6.60849507e+00 2.75236616e+00] [-2.64787315e-11 -6.60849507e+00 -2.75236616e+00] [-8.73153320e-11 6.60849507e+00 2.75236616e+00] [ 5.68954825e-11 5.72753314e+00 1.82518382e+00] [ 5.94625860e-11 -5.72753314e+00 -1.82518382e+00] [ 1.40409860e-10 5.72753314e+00 1.82518382e+00] [-7.10394778e-11 -5.72753314e+00 -1.82518382e+00]] Final stress: [ 7.09355303e-02 6.76187828e-03 -2.68580558e-02 -5.21801319e-01 5.77808407e-13 1.12257812e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-9.79788029e-11 4.71742238e+00 -5.32114521e+00] [-1.37934497e-10 3.00754011e+00 -6.63514327e+00] [-2.11407182e-10 -3.00754011e+00 6.63514327e+00] [-9.61955342e-13 -4.71742238e+00 5.32114521e+00] [-6.70566683e-11 4.71742238e+00 -5.32114521e+00] [ 2.36652416e-10 3.00754011e+00 -6.63514327e+00] [ 1.33346620e-10 -3.00754011e+00 6.63514327e+00] [ 8.42006035e-11 -4.71742238e+00 5.32114521e+00] [-1.45203067e-10 -6.60849507e+00 2.75236616e+00] [ 1.19109639e-10 6.60849507e+00 -2.75236616e+00] [ 9.66349963e-11 -6.60849507e+00 2.75236616e+00] [ 7.78154104e-11 6.60849507e+00 -2.75236616e+00] [-8.61619502e-11 5.72753314e+00 -1.82518382e+00] [-5.85094458e-11 -5.72753314e+00 1.82518382e+00] [ 1.31241933e-10 5.72753314e+00 -1.82518382e+00] [-7.37830406e-11 -5.72753314e+00 1.82518382e+00]] Final stress: [ 7.09355303e-02 6.76187828e-03 -2.68580558e-02 5.21801319e-01 9.59175016e-14 1.07076752e-12] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.67262763e-12 -2.30670322e-01 4.70636632e-01] [ 1.07602902e-12 -6.69042579e-01 3.26881501e-01] [ 5.59821503e-13 6.69042579e-01 -3.26881501e-01] [ 2.70423441e-12 2.30670322e-01 -4.70636632e-01] [-2.57369863e-12 -2.30670322e-01 4.70636632e-01] [-6.33878800e-13 -6.69042579e-01 3.26881501e-01] [-9.68190046e-13 6.69042579e-01 -3.26881501e-01] [-4.74294237e-12 2.30670322e-01 -4.70636632e-01] [ 6.13757222e-12 -8.11194490e-02 -2.55015524e-01] [ 4.38313882e-12 8.11194490e-02 2.55015524e-01] [-1.01719815e-11 -8.11194490e-02 -2.55015524e-01] [-7.11264164e-12 8.11194489e-02 2.55015524e-01] [ 9.44301972e-12 3.19311841e-01 -2.40458740e-02] [ 6.55694206e-12 -3.19311841e-01 2.40458740e-02] [-5.42756421e-12 3.19311841e-01 -2.40458740e-02] [-3.89585632e-12 -3.19311841e-01 2.40458740e-02]] Final stress: [ 9.73693415e-03 -9.39061756e-03 -1.40265166e-02 -5.08528364e-02 1.13886133e-14 4.93837339e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.97404484e-12 6.69042579e-01 3.26881501e-01] [ 4.09208821e-12 2.30670322e-01 4.70636632e-01] [ 3.78485784e-12 -2.30670322e-01 -4.70636632e-01] [ 1.58659717e-12 -6.69042579e-01 -3.26881501e-01] [-1.37130888e-12 6.69042579e-01 3.26881501e-01] [-3.73669151e-12 2.30670322e-01 4.70636632e-01] [-4.07343018e-12 -2.30670322e-01 -4.70636632e-01] [-1.94724445e-12 -6.69042579e-01 -3.26881501e-01] [ 3.29333848e-12 -8.11194490e-02 2.55015524e-01] [ 9.49352662e-12 8.11194490e-02 -2.55015524e-01] [-7.61336849e-12 -8.11194490e-02 2.55015524e-01] [-5.13481575e-12 8.11194489e-02 -2.55015524e-01] [ 6.58787564e-12 3.19311841e-01 2.40458740e-02] [ 4.69995185e-12 -3.19311841e-01 -2.40458740e-02] [-2.93161068e-12 3.19311841e-01 2.40458740e-02] [-8.70295746e-12 -3.19311841e-01 -2.40458740e-02]] Final stress: [ 9.73693415e-03 -9.39061756e-03 -1.40265166e-02 5.08528364e-02 3.15664382e-15 3.67821113e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.11631017e-11 -1.15601428e-01 9.19901011e-02] [-1.24643549e-11 -2.28035974e-02 9.61030532e-02] [-7.34008221e-12 2.28035974e-02 -9.61030532e-02] [-1.10531775e-11 1.15601428e-01 -9.19901012e-02] [ 1.10005074e-11 -1.15601428e-01 9.19901012e-02] [ 7.37770782e-12 -2.28035974e-02 9.61030532e-02] [ 1.24179740e-11 2.28035974e-02 -9.61030532e-02] [ 1.11537153e-11 1.15601428e-01 -9.19901012e-02] [-4.84546778e-12 -3.25689148e-02 -2.45284200e-02] [-5.83025295e-12 3.25689148e-02 2.45284200e-02] [ 5.40189432e-12 -3.25689148e-02 -2.45284200e-02] [ 4.57933344e-12 3.25689148e-02 2.45284200e-02] [-4.20346223e-12 -4.63806349e-02 -1.12982842e-02] [-3.87238643e-12 4.63806349e-02 1.12982842e-02] [ 4.11760093e-12 -4.63806349e-02 -1.12982842e-02] [ 4.71019399e-12 4.63806349e-02 1.12982842e-02]] Final stress: [ 1.69867075e-03 2.32804628e-05 -1.15686086e-03 -8.75714491e-03 -2.28751688e-14 -9.06060236e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.32899808e-11 2.28035974e-02 9.61030532e-02] [-8.12837818e-12 1.15601428e-01 9.19901012e-02] [-7.04008856e-12 -1.15601428e-01 -9.19901011e-02] [-1.12869124e-11 -2.28035974e-02 -9.61030532e-02] [ 1.12699911e-11 2.28035974e-02 9.61030532e-02] [ 7.03326199e-12 1.15601428e-01 9.19901012e-02] [ 8.12667240e-12 -1.15601428e-01 -9.19901012e-02] [ 1.32511161e-11 -2.28035974e-02 -9.61030532e-02] [-4.34591425e-12 -3.25689148e-02 2.45284200e-02] [-6.11969503e-12 3.25689148e-02 -2.45284200e-02] [ 5.21645856e-12 -3.25689148e-02 2.45284200e-02] [ 4.49379379e-12 3.25689148e-02 -2.45284200e-02] [-4.24755066e-12 -4.63806349e-02 1.12982842e-02] [-3.61493517e-12 4.63806349e-02 -1.12982842e-02] [ 3.48170206e-12 -4.63806349e-02 1.12982842e-02] [ 5.19433937e-12 4.63806349e-02 -1.12982842e-02]] Final stress: [ 1.69867075e-03 2.32804628e-05 -1.15686086e-03 8.75714491e-03 -1.34929747e-14 -1.05793607e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.58778470e-11 -5.85573245e-01 1.12251995e-01] [-2.37307700e-11 -3.20784110e-01 1.93101297e-01] [-1.93182936e-11 3.20784110e-01 -1.93101297e-01] [-2.45648640e-11 5.85573245e-01 -1.12251995e-01] [ 2.40545871e-11 -5.85573245e-01 1.12251995e-01] [ 1.83857391e-11 -3.20784110e-01 1.93101297e-01] [ 2.29332024e-11 3.20784110e-01 -1.93101297e-01] [ 2.53926415e-11 5.85573245e-01 -1.12251995e-01] [-1.12574743e-11 4.02113547e-01 -1.30152866e-01] [-1.82905973e-11 -4.02113547e-01 1.30152866e-01] [ 2.55259917e-11 4.02113547e-01 -1.30152866e-01] [ 2.08430751e-11 -4.02113547e-01 1.30152866e-01] [-2.17969228e-11 -6.16260608e-01 -9.81268463e-02] [-1.79077849e-11 6.16260608e-01 9.81268463e-02] [ 9.83371991e-12 -6.16260608e-01 -9.81268463e-02] [ 1.57657564e-11 6.16260608e-01 9.81268463e-02]] Final stress: [-5.74422509e-03 1.01936475e-02 5.13686934e-03 -6.66409521e-02 -2.51479286e-14 -4.97021102e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.93843128e-11 3.20784106e-01 1.93102378e-01] [-1.80641739e-11 5.85573416e-01 1.12253045e-01] [-1.45441215e-11 -5.85573416e-01 -1.12253045e-01] [-1.98882430e-11 -3.20784106e-01 -1.93102378e-01] [ 1.97277939e-11 3.20784106e-01 1.93102378e-01] [ 1.46083007e-11 5.85573416e-01 1.12253045e-01] [ 1.80098515e-11 -5.85573416e-01 -1.12253045e-01] [ 1.89422473e-11 -3.20784106e-01 -1.93102378e-01] [-1.60368444e-11 4.02113983e-01 1.30152876e-01] [-1.19659829e-11 -4.02113982e-01 -1.30152876e-01] [ 1.75701038e-11 4.02113983e-01 1.30152876e-01] [ 1.82814063e-11 -4.02113982e-01 -1.30152876e-01] [-1.50114335e-11 -6.16261101e-01 9.81268755e-02] [-1.57796944e-11 6.16261101e-01 -9.81268755e-02] [ 1.38059433e-11 -6.16261101e-01 9.81268755e-02] [ 9.73921768e-12 6.16261101e-01 -9.81268755e-02]] Final stress: [-5.74421576e-03 1.01936487e-02 5.13685719e-03 6.66409650e-02 -1.39603129e-14 1.96720159e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 7.89330533e-11 -3.03634178e+00 -1.87521160e+00] [ 1.14058059e-10 -5.40688780e+00 -3.75644129e+00] [ 1.16582725e-10 5.40688780e+00 3.75644129e+00] [ 8.53391307e-11 3.03634178e+00 1.87521160e+00] [-8.44521393e-11 -3.03634178e+00 -1.87521160e+00] [-1.22487763e-10 -5.40688780e+00 -3.75644129e+00] [-1.11859702e-10 5.40688780e+00 3.75644129e+00] [-7.90017964e-11 3.03634178e+00 1.87521160e+00] [ 1.24520926e-10 -2.06650053e+00 -3.67758861e+00] [ 9.27786728e-11 2.06650053e+00 3.67758861e+00] [-9.03091668e-11 -2.06650053e+00 -3.67758861e+00] [-9.48158197e-11 2.06650053e+00 3.67758861e+00] [ 7.16148057e-11 -9.08778171e-01 5.40471186e-01] [ 7.45011965e-11 9.08778171e-01 -5.40471186e-01] [-9.98021962e-11 -9.08778171e-01 5.40471186e-01] [-7.55907054e-11 9.08778171e-01 -5.40471186e-01]] Final stress: [-3.74710433e-03 3.25126203e-02 -3.21131079e-02 -4.63715787e-01 -4.15011337e-14 -8.89993357e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.19375309e-10 5.40688812e+00 -3.75644169e+00] [ 7.58451767e-11 3.03634189e+00 -1.87521183e+00] [ 9.01566341e-11 -3.03634189e+00 1.87521183e+00] [ 1.01159973e-10 -5.40688812e+00 3.75644169e+00] [-9.97662449e-11 5.40688812e+00 -3.75644169e+00] [-8.85495323e-11 3.03634189e+00 -1.87521183e+00] [-7.54203086e-11 -3.03634189e+00 1.87521183e+00] [-1.17295479e-10 -5.40688812e+00 3.75644169e+00] [ 1.12777011e-10 -2.06650076e+00 3.67758889e+00] [ 1.09118666e-10 2.06650076e+00 -3.67758889e+00] [-9.46968643e-11 -2.06650076e+00 3.67758889e+00] [-1.10492096e-10 2.06650076e+00 -3.67758889e+00] [ 7.57404057e-11 -9.08778165e-01 -5.40471266e-01] [ 8.65175052e-11 9.08778165e-01 5.40471266e-01] [-9.26059361e-11 -9.08778165e-01 -5.40471266e-01] [-9.18768986e-11 9.08778165e-01 5.40471266e-01]] Final stress: [-3.74710592e-03 3.25126197e-02 -3.21131111e-02 4.63715805e-01 -9.83694618e-15 -7.65993225e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.05984291e-03 -5.09616317e-02 3.05323311e-02] [-5.24126238e-03 -4.99908910e-02 2.56378611e-02] [ 5.24126238e-03 4.99908910e-02 -2.56378611e-02] [ 5.05984291e-03 5.09616317e-02 -3.05323311e-02] [-5.05984291e-03 -5.09616317e-02 3.05323311e-02] [-5.24126238e-03 -4.99908910e-02 2.56378611e-02] [ 5.24126238e-03 4.99908910e-02 -2.56378611e-02] [ 5.05984291e-03 5.09616317e-02 -3.05323311e-02] [ 9.61730764e-05 4.47667307e-02 -2.14105438e-02] [-9.61730804e-05 -4.47667307e-02 2.14105438e-02] [ 9.61730754e-05 4.47667307e-02 -2.14105438e-02] [-9.61730768e-05 -4.47667307e-02 2.14105438e-02] [-3.67060020e-05 -4.89105086e-02 -5.49954641e-03] [ 3.67060032e-05 4.89105086e-02 5.49954641e-03] [-3.67060029e-05 -4.89105086e-02 -5.49954641e-03] [ 3.67060064e-05 4.89105086e-02 5.49954641e-03]] Final stress: [-4.26674143e-04 4.65137721e-04 9.63894988e-05 -5.57019283e-03 -6.62012440e-05 6.88272677e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.05984072e-03 -5.09616316e-02 3.05323314e-02] [ 5.24126019e-03 -4.99908909e-02 2.56378615e-02] [-5.24126019e-03 4.99908909e-02 -2.56378615e-02] [-5.05984072e-03 5.09616316e-02 -3.05323314e-02] [ 5.05984072e-03 -5.09616316e-02 3.05323314e-02] [ 5.24126019e-03 -4.99908909e-02 2.56378615e-02] [-5.24126019e-03 4.99908909e-02 -2.56378615e-02] [-5.05984072e-03 5.09616316e-02 -3.05323314e-02] [-9.61730735e-05 4.47667305e-02 -2.14105437e-02] [ 9.61730746e-05 -4.47667305e-02 2.14105437e-02] [-9.61730736e-05 4.47667305e-02 -2.14105437e-02] [ 9.61730737e-05 -4.47667305e-02 2.14105437e-02] [ 3.67060030e-05 -4.89105084e-02 -5.49954642e-03] [-3.67060032e-05 4.89105084e-02 5.49954642e-03] [ 3.67060030e-05 -4.89105084e-02 -5.49954642e-03] [-3.67060039e-05 4.89105084e-02 5.49954642e-03]] Final stress: [-4.26674132e-04 4.65137716e-04 9.63894901e-05 -5.57019282e-03 6.62012050e-05 -6.88272665e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.24123389e-03 4.99908889e-02 2.56378662e-02] [-5.05981447e-03 5.09616305e-02 3.05323354e-02] [ 5.05981448e-03 -5.09616305e-02 -3.05323354e-02] [ 5.24123388e-03 -4.99908889e-02 -2.56378662e-02] [-5.24123388e-03 4.99908889e-02 2.56378662e-02] [-5.05981448e-03 5.09616305e-02 3.05323354e-02] [ 5.05981447e-03 -5.09616305e-02 -3.05323354e-02] [ 5.24123389e-03 -4.99908889e-02 -2.56378662e-02] [-9.61730109e-05 4.47667277e-02 2.14105426e-02] [ 9.61730050e-05 -4.47667277e-02 -2.14105426e-02] [-9.61730049e-05 4.47667277e-02 2.14105426e-02] [ 9.61730056e-05 -4.47667277e-02 -2.14105426e-02] [ 3.67059789e-05 -4.89105060e-02 5.49954659e-03] [-3.67059798e-05 4.89105060e-02 -5.49954659e-03] [ 3.67059844e-05 -4.89105060e-02 5.49954659e-03] [-3.67059791e-05 4.89105060e-02 -5.49954659e-03]] Final stress: [-4.26673999e-04 4.65137661e-04 9.63893864e-05 5.57019269e-03 -6.62007374e-05 -6.88273043e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.24124484e-03 4.99908897e-02 2.56378642e-02] [ 5.05982541e-03 5.09616309e-02 3.05323338e-02] [-5.05982541e-03 -5.09616309e-02 -3.05323337e-02] [-5.24124484e-03 -4.99908897e-02 -2.56378642e-02] [ 5.24124484e-03 4.99908897e-02 2.56378642e-02] [ 5.05982541e-03 5.09616309e-02 3.05323338e-02] [-5.05982541e-03 -5.09616309e-02 -3.05323337e-02] [-5.24124484e-03 -4.99908897e-02 -2.56378642e-02] [ 9.61730379e-05 4.47667289e-02 2.14105430e-02] [-9.61730406e-05 -4.47667289e-02 -2.14105430e-02] [ 9.61730413e-05 4.47667289e-02 2.14105430e-02] [-9.61730390e-05 -4.47667289e-02 -2.14105430e-02] [-3.67059964e-05 -4.89105070e-02 5.49954652e-03] [ 3.67059941e-05 4.89105070e-02 -5.49954652e-03] [-3.67059931e-05 -4.89105070e-02 5.49954652e-03] [ 3.67059956e-05 4.89105070e-02 -5.49954652e-03]] Final stress: [-4.26674054e-04 4.65137684e-04 9.63894296e-05 5.57019275e-03 6.62009322e-05 6.88272800e-07] Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.85306084e-11 -2.31429118e-01 1.27096958e-01] [-1.75733959e-11 -2.08258365e-01 1.32132924e-01] [-1.01147870e-11 2.08258365e-01 -1.32132924e-01] [-1.37390342e-11 2.31429118e-01 -1.27096958e-01] [ 1.36543830e-11 -2.31429118e-01 1.27096958e-01] [ 9.22193528e-12 -2.08258365e-01 1.32132924e-01] [ 1.75090832e-11 2.08258365e-01 -1.32132924e-01] [ 1.78510542e-11 2.31429118e-01 -1.27096958e-01] [-1.62268289e-12 8.67386625e-02 -7.22383593e-02] [-1.55884038e-11 -8.67386625e-02 7.22383593e-02] [ 1.99711205e-11 8.67386625e-02 -7.22383593e-02] [ 1.12606144e-11 -8.67386625e-02 7.22383593e-02] [-1.70641929e-11 -3.04747482e-01 -5.91826331e-02] [-9.97215396e-12 3.04747482e-01 5.91826331e-02] [ 1.57514546e-12 -3.04747482e-01 -5.91826331e-02] [ 1.31584391e-11 3.04747482e-01 5.91826331e-02]] Final stress: [-3.65293198e-03 1.22756490e-03 -1.21273141e-03 -3.26747287e-02 -5.42622096e-14 -8.74113147e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.05222500e-11 2.08258482e-01 1.32132472e-01] [-2.16503011e-11 2.31429134e-01 1.27096537e-01] [-1.81042593e-11 -2.31429134e-01 -1.27096537e-01] [-1.06204412e-11 -2.08258482e-01 -1.32132472e-01] [ 1.00714784e-11 2.08258482e-01 1.32132472e-01] [ 1.82560499e-11 2.31429134e-01 1.27096537e-01] [ 2.10167572e-11 -2.31429134e-01 -1.27096537e-01] [ 1.07012808e-11 -2.08258482e-01 -1.32132472e-01] [-1.49238978e-11 8.67391009e-02 7.22384011e-02] [-1.03804144e-11 -8.67391010e-02 -7.22384011e-02] [ 1.76151718e-11 8.67391009e-02 7.22384011e-02] [ 8.73086716e-12 -8.67391010e-02 -7.22384011e-02] [-1.48424458e-11 -3.04747899e-01 5.91826345e-02] [-7.51987646e-12 3.04747899e-01 -5.91826345e-02] [ 1.34498131e-11 -3.04747899e-01 5.91826345e-02] [ 8.72153641e-12 3.04747899e-01 -5.91826345e-02]] Final stress: [-3.65294927e-03 1.22757240e-03 -1.21271903e-03 3.26747358e-02 -1.61127857e-14 -9.36729707e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.30985065e-12 -1.19030018e-01 -5.46013794e-02] [ 3.62845626e-12 -1.14385492e-01 -7.09330878e-02] [ 3.54141987e-12 1.14385492e-01 7.09330878e-02] [ 4.95014706e-12 1.19030018e-01 5.46013794e-02] [-5.02647143e-12 -1.19030018e-01 -5.46013794e-02] [-3.31742576e-12 -1.14385492e-01 -7.09330878e-02] [-3.93637466e-12 1.14385492e-01 7.09330878e-02] [-4.07714877e-12 1.19030018e-01 5.46013794e-02] [ 3.62299600e-13 -2.07798716e-01 -5.99461576e-02] [ 4.14209899e-12 2.07798716e-01 5.99461577e-02] [-4.69424564e-12 -2.07798716e-01 -5.99461577e-02] [-4.66996147e-12 2.07798716e-01 5.99461577e-02] [ 4.35081702e-12 2.13437414e-01 -5.12555351e-03] [ 4.02102716e-12 -2.13437414e-01 5.12555352e-03] [-1.68979563e-13 2.13437414e-01 -5.12555352e-03] [-3.40086550e-12 -2.13437414e-01 5.12555352e-03]] Final stress: [ 3.63328887e-03 -2.25096456e-03 -1.44481418e-03 -1.32350561e-02 -2.12653013e-15 2.06187097e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.97589394e-12 1.14385492e-01 -7.09330879e-02] [ 3.71444021e-12 1.19030018e-01 -5.46013794e-02] [-5.53127292e-12 -1.19030018e-01 5.46013794e-02] [ 4.24950006e-12 -1.14385492e-01 7.09330879e-02] [-3.78507826e-12 1.14385492e-01 -7.09330879e-02] [ 5.71580153e-12 1.19030018e-01 -5.46013794e-02] [-3.29968995e-12 -1.19030018e-01 5.46013794e-02] [-3.78941843e-12 -1.14385492e-01 7.09330879e-02] [ 7.72741029e-13 -2.07798716e-01 5.99461577e-02] [ 3.73329145e-12 2.07798716e-01 -5.99461577e-02] [-4.77076397e-12 -2.07798716e-01 5.99461577e-02] [-3.68514377e-12 2.07798716e-01 -5.99461577e-02] [ 3.61184433e-12 2.13437414e-01 5.12555352e-03] [ 3.41467721e-12 -2.13437414e-01 -5.12555352e-03] [-1.15710189e-12 2.13437414e-01 5.12555352e-03] [-3.17615129e-12 -2.13437414e-01 -5.12555353e-03]] Final stress: [ 3.63328887e-03 -2.25096456e-03 -1.44481418e-03 1.32350561e-02 4.04274500e-14 1.90294887e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.44065015e-11 -1.53703413e-01 7.57023100e-02] [ 1.68176174e-11 -5.05326106e-01 -3.85852583e-02] [ 1.40466076e-11 5.05326106e-01 3.85852582e-02] [ 1.30103081e-11 1.53703413e-01 -7.57023100e-02] [-1.32263936e-11 -1.53703413e-01 7.57023100e-02] [-1.47029841e-11 -5.05326106e-01 -3.85852583e-02] [-1.72982583e-11 5.05326106e-01 3.85852582e-02] [-1.49270199e-11 1.53703413e-01 -7.57023100e-02] [ 1.56278163e-11 2.28831744e-02 -1.99091520e-01] [ 2.35335544e-11 -2.28831744e-02 1.99091520e-01] [-1.81115448e-11 2.28831744e-02 -1.99091520e-01] [-1.34139492e-11 -2.28831744e-02 1.99091520e-01] [ 1.56583362e-11 1.48649795e-01 -6.25781451e-03] [ 1.24645811e-11 -1.48649795e-01 6.25781452e-03] [-1.34717935e-11 1.48649795e-01 -6.25781451e-03] [-2.04163616e-11 -1.48649795e-01 6.25781452e-03]] Final stress: [ 1.88736433e-04 -4.61865161e-03 -4.48277726e-03 -3.53864456e-02 1.85489585e-14 4.45598208e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.05500613e-11 5.05320355e-01 -3.85735228e-02] [ 1.66200712e-11 1.53702215e-01 7.57117405e-02] [ 1.71014731e-11 -1.53702215e-01 -7.57117405e-02] [ 2.09265053e-11 -5.05320355e-01 3.85735228e-02] [-2.05940571e-11 5.05320355e-01 -3.85735228e-02] [-1.70050207e-11 1.53702215e-01 7.57117405e-02] [-1.64095125e-11 -1.53702215e-01 -7.57117405e-02] [-2.03878837e-11 -5.05320355e-01 3.85735228e-02] [ 2.29628233e-11 2.28886737e-02 1.99088647e-01] [ 2.22178543e-11 -2.28886737e-02 -1.99088647e-01] [-2.00503420e-11 2.28886737e-02 1.99088647e-01] [-2.04630722e-11 -2.28886737e-02 -1.99088647e-01] [ 1.71028534e-11 1.48642976e-01 6.25820034e-03] [ 1.75956250e-11 -1.48642976e-01 -6.25820036e-03] [-2.04911527e-11 1.48642976e-01 6.25820034e-03] [-1.96718989e-11 -1.48642976e-01 -6.25820037e-03]] Final stress: [ 1.88801825e-04 -4.61858862e-03 -4.48283806e-03 3.53861498e-02 -3.58649291e-15 -8.73589495e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.61204053e-10 -1.28924850e+00 1.10391138e+00] [-1.13197175e-10 -2.05528423e-01 1.57696597e+00] [-1.01621932e-10 2.05528423e-01 -1.57696597e+00] [-9.04988419e-11 1.28924850e+00 -1.10391138e+00] [ 9.00560918e-11 -1.28924850e+00 1.10391138e+00] [ 9.08156566e-11 -2.05528423e-01 1.57696597e+00] [ 1.08490470e-10 2.05528423e-01 -1.57696597e+00] [ 1.56041243e-10 1.28924850e+00 -1.10391138e+00] [-6.37670719e-11 -2.11652318e+00 -2.20969619e-01] [-6.20087801e-11 2.11652318e+00 2.20969619e-01] [ 1.00118723e-10 -2.11652318e+00 -2.20969619e-01] [ 1.54999487e-10 2.11652318e+00 2.20969619e-01] [-8.35968998e-11 9.33729823e-01 -2.60759121e-01] [-1.27433910e-10 -9.33729823e-01 2.60759121e-01] [ 5.05011607e-11 9.33729823e-01 -2.60759120e-01] [ 5.23022780e-11 -9.33729823e-01 2.60759121e-01]] Final stress: [ 5.75218360e-02 -1.62826377e-02 -3.72986221e-02 -1.25830226e-01 -3.88104327e-13 2.51850734e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.41193990e-11 2.05528423e-01 1.57696597e+00] [-1.18136354e-10 1.28924850e+00 1.10391138e+00] [-1.20015038e-10 -1.28924850e+00 -1.10391138e+00] [-9.38690037e-11 -2.05528423e-01 -1.57696597e+00] [ 9.05707874e-11 2.05528423e-01 1.57696597e+00] [ 1.16132687e-10 1.28924850e+00 1.10391138e+00] [ 1.17967293e-10 -1.28924850e+00 -1.10391138e+00] [ 8.59850665e-11 -2.05528423e-01 -1.57696597e+00] [-6.57615678e-11 -2.11652318e+00 2.20969619e-01] [-6.47795480e-11 2.11652318e+00 -2.20969619e-01] [ 7.89565124e-11 -2.11652318e+00 2.20969619e-01] [ 1.46639714e-10 2.11652318e+00 -2.20969619e-01] [-6.37167775e-11 9.33729823e-01 2.60759121e-01] [-1.23552865e-10 -9.33729823e-01 -2.60759121e-01] [ 5.41558252e-11 9.33729823e-01 2.60759121e-01] [ 5.35314925e-11 -9.33729823e-01 -2.60759121e-01]] Final stress: [ 5.75218360e-02 -1.62826377e-02 -3.72986221e-02 1.25830226e-01 9.13734633e-15 2.96376826e-13] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.74017018e-12 -1.03682331e-01 8.67749086e-02] [ 7.40724582e-12 -1.57982640e-01 5.09281230e-02] [ 4.20849434e-12 1.57982640e-01 -5.09281230e-02] [ 4.49172904e-12 1.03682331e-01 -8.67749085e-02] [-4.13738705e-12 -1.03682331e-01 8.67749086e-02] [-4.88359179e-12 -1.57982640e-01 5.09281230e-02] [-7.18093879e-12 1.57982640e-01 -5.09281230e-02] [-2.44306680e-12 1.03682331e-01 -8.67749085e-02] [ 1.06722710e-11 -1.12460915e-01 -7.63771589e-02] [ 3.16078153e-12 1.12460915e-01 7.63771589e-02] [-7.35660307e-12 -1.12460915e-01 -7.63771589e-02] [-4.76625857e-12 1.12460915e-01 7.63771589e-02] [ 6.11780852e-12 9.70156325e-02 -2.44560856e-03] [ 4.82537307e-12 -9.70156324e-02 2.44560856e-03] [-9.54425131e-12 9.70156325e-02 -2.44560856e-03] [-2.30652427e-12 -9.70156324e-02 2.44560856e-03]] Final stress: [ 2.81207894e-03 -2.66640178e-03 -3.06181959e-03 -1.38196530e-02 1.62728178e-15 -3.06035839e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.60423139e-12 1.57982640e-01 5.09281230e-02] [ 1.59246010e-12 1.03682331e-01 8.67749086e-02] [ 5.28513323e-12 -1.03682331e-01 -8.67749086e-02] [ 3.76986983e-12 -1.57982640e-01 -5.09281230e-02] [-3.68275571e-12 1.57982640e-01 5.09281230e-02] [-5.35166356e-12 1.03682331e-01 8.67749086e-02] [-1.43602773e-12 -1.03682331e-01 -8.67749086e-02] [-3.65286230e-12 -1.57982640e-01 -5.09281230e-02] [ 1.09816067e-11 -1.12460915e-01 7.63771589e-02] [ 7.18438850e-12 1.12460915e-01 -7.63771589e-02] [-6.50863207e-12 -1.12460915e-01 7.63771589e-02] [-5.27654222e-12 1.12460915e-01 -7.63771589e-02] [ 5.87131298e-12 9.70156325e-02 2.44560856e-03] [ 4.24178645e-12 -9.70156324e-02 -2.44560857e-03] [-1.01121277e-11 9.70156325e-02 2.44560856e-03] [-6.52062134e-12 -9.70156324e-02 -2.44560857e-03]] Final stress: [ 2.81207894e-03 -2.66640178e-03 -3.06181959e-03 1.38196530e-02 -1.70988470e-14 -1.41732256e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.02723298e-12 -2.58387581e-01 5.57895339e-02] [-2.51903207e-12 -1.34596227e-01 8.07369000e-02] [-2.85109089e-12 1.34596227e-01 -8.07369000e-02] [-4.84856079e-13 2.58387581e-01 -5.57895339e-02] [ 5.38148736e-13 -2.58387581e-01 5.57895339e-02] [ 2.47012567e-12 -1.34596227e-01 8.07369000e-02] [ 2.50236268e-12 1.34596227e-01 -8.07369000e-02] [-2.30610192e-12 2.58387581e-01 -5.57895339e-02] [ 2.38252668e-12 1.51249069e-01 -5.73393961e-02] [-4.35614479e-12 -1.51249069e-01 5.73393961e-02] [-1.32441486e-12 1.51249069e-01 -5.73393961e-02] [-1.25221535e-12 -1.51249069e-01 5.73393961e-02] [ 1.80341939e-12 -2.59863614e-01 -4.53692295e-02] [ 1.22488077e-12 2.59863614e-01 4.53692295e-02] [-1.78394585e-12 -2.59863614e-01 -4.53692295e-02] [ 3.93573648e-12 2.59863614e-01 4.53692295e-02]] Final stress: [-2.64510147e-03 3.83037171e-03 1.82323723e-03 -2.89371219e-02 1.28382895e-14 -2.45522394e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.01643130e-12 1.34596322e-01 8.07358878e-02] [-8.73627689e-12 2.58387534e-01 5.57885466e-02] [-4.62411457e-12 -2.58387534e-01 -5.57885466e-02] [ 1.08984002e-12 -1.34596322e-01 -8.07358878e-02] [-4.51286252e-13 1.34596322e-01 8.07358878e-02] [ 4.35527959e-12 2.58387533e-01 5.57885466e-02] [ 9.15458844e-12 -2.58387534e-01 -5.57885466e-02] [ 9.63251831e-13 -1.34596322e-01 -8.07358878e-02] [ 1.15776572e-12 1.51249150e-01 5.73394225e-02] [-5.46941919e-12 -1.51249150e-01 -5.73394225e-02] [-2.13032304e-12 1.51249150e-01 5.73394225e-02] [-2.44089427e-12 -1.51249150e-01 -5.73394225e-02] [ 2.47505749e-12 -2.59863653e-01 4.53692172e-02] [ 2.07229589e-12 2.59863653e-01 -4.53692173e-02] [-8.55199266e-13 -2.59863653e-01 4.53692173e-02] [ 4.44640819e-12 2.59863653e-01 -4.53692172e-02]] Final stress: [-2.64512027e-03 3.83037773e-03 1.82325498e-03 2.89371227e-02 -2.83505528e-14 -1.95751079e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.99078655e-12 -6.75577252e-01 1.83777270e-02] [ 8.37214586e-12 -7.81162523e-01 -1.35850241e-01] [ 5.55558778e-12 7.81162523e-01 1.35850241e-01] [ 4.04399778e-12 6.75577252e-01 -1.83777269e-02] [-4.30010617e-12 -6.75577252e-01 1.83777270e-02] [-6.17191151e-12 -7.81162523e-01 -1.35850241e-01] [-8.97506602e-12 7.81162523e-01 1.35850241e-01] [-2.00768807e-12 6.75577252e-01 -1.83777269e-02] [ 2.21122914e-11 4.83124863e-01 -3.90890746e-01] [ 2.07426827e-11 -4.83124863e-01 3.90890746e-01] [-8.71822363e-12 4.83124863e-01 -3.90890746e-01] [-1.02036652e-11 -4.83124863e-01 3.90890746e-01] [ 7.17038104e-12 -6.00381828e-01 -3.63015922e-02] [ 9.18833014e-12 6.00381828e-01 3.63015921e-02] [-2.01777066e-11 -6.00381828e-01 -3.63015922e-02] [-1.86275285e-11 6.00381828e-01 3.63015921e-02]] Final stress: [-1.17288519e-02 8.58946959e-03 4.94844350e-03 -8.35586270e-02 7.82179810e-16 -1.46255427e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.68952807e-12 7.81166379e-01 -1.35857863e-01] [ 5.03080390e-12 6.75579358e-01 1.83717243e-02] [ 7.75369688e-12 -6.75579358e-01 -1.83717244e-02] [-3.05263714e-12 -7.81166379e-01 1.35857863e-01] [ 2.48138619e-12 7.81166379e-01 -1.35857863e-01] [-7.81763022e-12 6.75579358e-01 1.83717243e-02] [-5.32416082e-12 -6.75579358e-01 -1.83717243e-02] [-1.77872691e-12 -7.81166379e-01 1.35857863e-01] [ 8.91362244e-12 4.83127836e-01 3.90892953e-01] [ 2.26930939e-11 -4.83127836e-01 -3.90892953e-01] [-4.93038813e-12 4.83127836e-01 3.90892953e-01] [-9.60171526e-12 -4.83127836e-01 -3.90892953e-01] [ 4.30022164e-12 -6.00385039e-01 3.63012691e-02] [ 8.82029923e-12 6.00385039e-01 -3.63012691e-02] [-7.88823749e-12 -6.00385039e-01 3.63012691e-02] [-2.13015601e-11 6.00385039e-01 -3.63012691e-02]] Final stress: [-1.17290338e-02 8.58954897e-03 4.94857318e-03 8.35588902e-02 6.31221476e-15 3.47441394e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.06256215e-03 -3.40287993e-02 3.37261357e-02] [-1.13681123e-03 -3.26403090e-02 3.02990725e-02] [ 1.13681124e-03 3.26403090e-02 -3.02990725e-02] [ 1.06256215e-03 3.40287993e-02 -3.37261357e-02] [-1.06256215e-03 -3.40287993e-02 3.37261357e-02] [-1.13681124e-03 -3.26403090e-02 3.02990725e-02] [ 1.13681123e-03 3.26403090e-02 -3.02990725e-02] [ 1.06256215e-03 3.40287993e-02 -3.37261357e-02] [ 3.72300356e-05 4.89368571e-02 -1.44328967e-02] [-3.72300379e-05 -4.89368571e-02 1.44328967e-02] [ 3.72300350e-05 4.89368571e-02 -1.44328967e-02] [-3.72300392e-05 -4.89368571e-02 1.44328967e-02] [-1.47522682e-05 -5.29947950e-02 -3.41893189e-03] [ 1.47522718e-05 5.29947950e-02 3.41893190e-03] [-1.47522687e-05 -5.29947950e-02 -3.41893190e-03] [ 1.47522708e-05 5.29947950e-02 3.41893190e-03]] Final stress: [-4.58268739e-04 4.88267963e-04 8.10227091e-05 -3.67337507e-03 -3.66905730e-06 2.83403961e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.06251962e-03 -3.40287981e-02 3.37261466e-02] [ 1.13676863e-03 -3.26403055e-02 3.02990845e-02] [-1.13676863e-03 3.26403055e-02 -3.02990845e-02] [-1.06251961e-03 3.40287981e-02 -3.37261466e-02] [ 1.06251961e-03 -3.40287981e-02 3.37261466e-02] [ 1.13676863e-03 -3.26403055e-02 3.02990845e-02] [-1.13676863e-03 3.26403055e-02 -3.02990845e-02] [-1.06251962e-03 3.40287981e-02 -3.37261466e-02] [-3.72299662e-05 4.89368502e-02 -1.44328949e-02] [ 3.72299693e-05 -4.89368502e-02 1.44328949e-02] [-3.72299723e-05 4.89368502e-02 -1.44328949e-02] [ 3.72299652e-05 -4.89368502e-02 1.44328949e-02] [ 1.47522520e-05 -5.29947889e-02 -3.41893216e-03] [-1.47522456e-05 5.29947889e-02 3.41893216e-03] [ 1.47522465e-05 -5.29947889e-02 -3.41893216e-03] [-1.47522493e-05 5.29947889e-02 3.41893216e-03]] Final stress: [-4.58268395e-04 4.88267823e-04 8.10224385e-05 -3.67337487e-03 3.66829955e-06 -2.83404305e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.13671184e-03 3.26403008e-02 3.02991004e-02] [-1.06246290e-03 3.40287964e-02 3.37261609e-02] [ 1.06246289e-03 -3.40287964e-02 -3.37261609e-02] [ 1.13671183e-03 -3.26403008e-02 -3.02991005e-02] [-1.13671183e-03 3.26403008e-02 3.02991005e-02] [-1.06246289e-03 3.40287964e-02 3.37261609e-02] [ 1.06246290e-03 -3.40287964e-02 -3.37261609e-02] [ 1.13671184e-03 -3.26403008e-02 -3.02991005e-02] [-3.72298799e-05 4.89368409e-02 1.44328925e-02] [ 3.72298775e-05 -4.89368409e-02 -1.44328925e-02] [-3.72298829e-05 4.89368409e-02 1.44328925e-02] [ 3.72298803e-05 -4.89368409e-02 -1.44328925e-02] [ 1.47522252e-05 -5.29947808e-02 3.41893252e-03] [-1.47522225e-05 5.29947808e-02 -3.41893252e-03] [ 1.47522223e-05 -5.29947808e-02 3.41893252e-03] [-1.47522204e-05 5.29947808e-02 -3.41893252e-03]] Final stress: [-4.58267936e-04 4.88267636e-04 8.10220782e-05 3.67337459e-03 -3.66728923e-06 -2.83404702e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.13673668e-03 3.26403029e-02 3.02990935e-02] [ 1.06248771e-03 3.40287971e-02 3.37261546e-02] [-1.06248772e-03 -3.40287971e-02 -3.37261546e-02] [-1.13673668e-03 -3.26403029e-02 -3.02990935e-02] [ 1.13673668e-03 3.26403029e-02 3.02990935e-02] [ 1.06248771e-03 3.40287971e-02 3.37261546e-02] [-1.06248771e-03 -3.40287971e-02 -3.37261547e-02] [-1.13673668e-03 -3.26403029e-02 -3.02990935e-02] [ 3.72299182e-05 4.89368450e-02 1.44328936e-02] [-3.72299197e-05 -4.89368449e-02 -1.44328936e-02] [ 3.72299204e-05 4.89368450e-02 1.44328936e-02] [-3.72299168e-05 -4.89368449e-02 -1.44328936e-02] [-1.47522356e-05 -5.29947844e-02 3.41893236e-03] [ 1.47522324e-05 5.29947844e-02 -3.41893236e-03] [-1.47522336e-05 -5.29947844e-02 3.41893236e-03] [ 1.47522350e-05 5.29947844e-02 -3.41893237e-03]] Final stress: [-4.58268137e-04 4.88267718e-04 8.10222359e-05 3.67337471e-03 3.66773126e-06 2.83404531e-07] Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 5 steps. Minimization converged after 5 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 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.77956290e-12 -1.08220202e-01 8.59524773e-02] [-1.51347394e-11 -9.15577188e-02 9.18089586e-02] [-1.60340540e-11 9.15577188e-02 -9.18089586e-02] [-1.00824401e-11 1.08220202e-01 -8.59524773e-02] [ 1.01920681e-11 -1.08220202e-01 8.59524773e-02] [ 1.55526117e-11 -9.15577188e-02 9.18089586e-02] [ 1.54625895e-11 9.15577188e-02 -9.18089586e-02] [ 9.55981258e-12 1.08220202e-01 -8.59524773e-02] [ 1.20003183e-12 6.01607410e-02 -3.08197884e-02] [-1.39426725e-11 -6.01607410e-02 3.08197884e-02] [ 1.14087097e-11 6.01607410e-02 -3.08197884e-02] [ 1.04690943e-11 -6.01607410e-02 3.08197884e-02] [-1.00452350e-11 -1.74684087e-01 -2.53404667e-02] [-9.17641958e-12 1.74684087e-01 2.53404667e-02] [-1.89660574e-12 -1.74684087e-01 -2.53404667e-02] [ 1.22482125e-11 1.74684087e-01 2.53404667e-02]] Final stress: [-1.94004113e-03 6.30801723e-04 -7.73800431e-04 -1.47427516e-02 3.85183537e-15 -7.79747329e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.10900948e-11 9.15578262e-02 9.18082750e-02] [ 9.30129172e-12 1.08220178e-01 8.59518167e-02] [-1.52993657e-11 -1.08220178e-01 -8.59518167e-02] [-1.16017777e-11 -9.15578262e-02 -9.18082750e-02] [ 1.18991976e-11 9.15578262e-02 9.18082750e-02] [ 1.43696960e-11 1.08220178e-01 8.59518167e-02] [-8.84417344e-12 -1.08220178e-01 -8.59518167e-02] [ 9.80813477e-12 -9.15578262e-02 -9.18082750e-02] [ 7.21521367e-13 6.01611577e-02 3.08198185e-02] [-1.41514829e-11 -6.01611577e-02 -3.08198185e-02] [ 9.31198846e-12 6.01611577e-02 3.08198185e-02] [ 1.75601456e-11 -6.01611577e-02 -3.08198185e-02] [-8.92838321e-12 -1.74684454e-01 2.53404629e-02] [-1.48009304e-11 1.74684454e-01 -2.53404629e-02] [-1.67621860e-12 -1.74684454e-01 2.53404629e-02] [ 1.34157543e-11 1.74684454e-01 -2.53404629e-02]] Final stress: [-1.94006162e-03 6.30810030e-04 -7.73784323e-04 1.47427553e-02 1.13565504e-13 -2.57184332e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.54494652e-11 -2.96383255e-01 5.86183856e-02] [ 2.42940802e-11 -2.80514359e-01 3.52295665e-03] [ 2.50976276e-11 2.80514359e-01 -3.52295665e-03] [ 2.94576785e-11 2.96383255e-01 -5.86183856e-02] [-2.97041447e-11 -2.96383255e-01 5.86183856e-02] [-2.48081807e-11 -2.80514359e-01 3.52295664e-03] [-2.43613065e-11 2.80514359e-01 -3.52295666e-03] [-2.52215473e-11 2.96383255e-01 -5.86183856e-02] [ 2.28366757e-11 -2.62311411e-01 -1.61716616e-01] [ 2.69295471e-11 2.62311411e-01 1.61716616e-01] [-3.13869376e-11 -2.62311411e-01 -1.61716616e-01] [-3.44237529e-11 2.62311411e-01 1.61716616e-01] [ 2.75390713e-11 2.45287308e-01 -4.04911151e-03] [ 3.06442122e-11 -2.45287308e-01 4.04911149e-03] [-1.94763028e-11 2.45287308e-01 -4.04911151e-03] [-2.28719985e-11 -2.45287308e-01 4.04911149e-03]] Final stress: [ 6.56060529e-03 -2.99986029e-03 -3.85229768e-03 -3.20566078e-02 -2.21666941e-14 3.81049616e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.86942573e-11 2.80514359e-01 3.52295654e-03] [ 9.89455956e-12 2.96383255e-01 5.86183855e-02] [ 1.69371422e-11 -2.96383255e-01 -5.86183855e-02] [ 2.45425052e-11 -2.80514359e-01 -3.52295652e-03] [-2.42771674e-11 2.80514359e-01 3.52295655e-03] [-1.62099128e-11 2.96383255e-01 5.86183854e-02] [-9.71495356e-12 -2.96383255e-01 -5.86183855e-02] [-2.79707399e-11 -2.80514359e-01 -3.52295651e-03] [ 1.91674337e-11 -2.62311411e-01 1.61716616e-01] [ 2.15112919e-11 2.62311411e-01 -1.61716616e-01] [-3.24018492e-11 -2.62311411e-01 1.61716616e-01] [-3.65103277e-11 2.62311411e-01 -1.61716616e-01] [ 2.87872330e-11 2.45287308e-01 4.04911153e-03] [ 3.20346091e-11 -2.45287308e-01 -4.04911153e-03] [-1.60069542e-11 2.45287308e-01 4.04911152e-03] [-1.84793322e-11 -2.45287308e-01 -4.04911152e-03]] Final stress: [ 6.56060528e-03 -2.99986029e-03 -3.85229768e-03 3.20566078e-02 -1.30956714e-14 -1.87305650e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.82885340e-10 -1.55145402e+00 1.12198113e+00] [-2.28134412e-10 -3.31704689e-01 1.41255939e+00] [-2.53398967e-10 3.31704689e-01 -1.41255939e+00] [-2.56412164e-10 1.55145402e+00 -1.12198113e+00] [ 2.61003467e-10 -1.55145402e+00 1.12198113e+00] [ 2.52588183e-10 -3.31704689e-01 1.41255939e+00] [ 2.38624453e-10 3.31704689e-01 -1.41255939e+00] [ 2.82236402e-10 1.55145402e+00 -1.12198113e+00] [-2.45917549e-10 2.06197987e-01 -3.63296164e-01] [-3.31252446e-10 -2.06197987e-01 3.63296164e-01] [ 2.76376920e-10 2.06197987e-01 -3.63296164e-01] [ 2.77977532e-10 -2.06197987e-01 3.63296164e-01] [-2.39554683e-10 -1.72735062e+00 -2.69322678e-01] [-2.35154410e-10 1.72735062e+00 2.69322678e-01] [ 2.02590090e-10 -1.72735062e+00 -2.69322679e-01] [ 2.81307712e-10 1.72735062e+00 2.69322678e-01]] Final stress: [ 4.66067948e-03 1.85628549e-02 -8.02348663e-03 -1.40262975e-01 -5.48027564e-14 -3.65814936e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.71901183e-10 3.31704004e-01 1.41256347e+00] [-2.69029533e-10 1.55145378e+00 1.12198505e+00] [-2.82943126e-10 -1.55145378e+00 -1.12198505e+00] [-2.66995018e-10 -3.31704004e-01 -1.41256347e+00] [ 2.65704153e-10 3.31704004e-01 1.41256347e+00] [ 2.83977528e-10 1.55145378e+00 1.12198505e+00] [ 2.67525466e-10 -1.55145378e+00 -1.12198505e+00] [ 2.77052809e-10 -3.31704004e-01 -1.41256347e+00] [-2.98555406e-10 2.06194508e-01 3.63295978e-01] [-2.61437106e-10 -2.06194508e-01 -3.63295977e-01] [ 2.55559012e-10 2.06194508e-01 3.63295978e-01] [ 2.45483557e-10 -2.06194508e-01 -3.63295977e-01] [-2.15406255e-10 -1.72734705e+00 2.69322670e-01] [-2.02667040e-10 1.72734705e+00 -2.69322670e-01] [ 2.50913592e-10 -1.72734705e+00 2.69322670e-01] [ 2.22723619e-10 1.72734705e+00 -2.69322670e-01]] Final stress: [ 4.66081957e-03 1.85627908e-02 -8.02360434e-03 1.40262921e-01 5.56251876e-14 6.06233070e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 7.39735411e-12 -1.07987180e-01 1.33802382e-02] [ 1.31665976e-11 -1.99188799e-01 -3.15211307e-02] [ 2.13061163e-11 1.99188799e-01 3.15211306e-02] [ 6.37907435e-12 1.07987180e-01 -1.33802381e-02] [-7.12151583e-12 -1.07987180e-01 1.33802382e-02] [-2.13835742e-11 -1.99188799e-01 -3.15211307e-02] [-1.38754316e-11 1.99188799e-01 3.15211306e-02] [-7.57277834e-12 1.07987180e-01 -1.33802381e-02] [ 1.56512565e-11 5.10201847e-02 -9.11975843e-02] [ 1.97820848e-11 -5.10201847e-02 9.11975842e-02] [-1.07944065e-11 5.10201847e-02 -9.11975843e-02] [-9.85880041e-12 -5.10201847e-02 9.11975842e-02] [ 9.48581404e-12 -6.58601475e-02 -2.68928657e-03] [ 8.32239746e-12 6.58601476e-02 2.68928655e-03] [-1.35497208e-11 -6.58601476e-02 -2.68928657e-03] [-1.73253967e-11 6.58601476e-02 2.68928655e-03]] Final stress: [-2.47841367e-03 -4.73011906e-04 -1.98484672e-04 -1.63985873e-02 -3.14263962e-14 1.06843415e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 8.70601724e-12 1.99189896e-01 -3.15179349e-02] [ 2.03512684e-11 1.07987970e-01 1.33839576e-02] [ 1.21337337e-11 -1.07987970e-01 -1.33839577e-02] [ 9.67940398e-12 -1.99189896e-01 3.15179349e-02] [-1.02420403e-11 1.99189896e-01 -3.15179349e-02] [-1.21906834e-11 1.07987970e-01 1.33839576e-02] [-2.07108347e-11 -1.07987970e-01 -1.33839577e-02] [-8.93351300e-12 -1.99189896e-01 3.15179349e-02] [ 1.64231486e-11 5.10227101e-02 9.11982864e-02] [ 1.85847822e-11 -5.10227101e-02 -9.11982864e-02] [-1.05093094e-11 5.10227101e-02 9.11982864e-02] [-9.35994294e-12 -5.10227101e-02 -9.11982864e-02] [ 8.75072324e-12 -6.58624906e-02 2.68921708e-03] [ 8.22684672e-12 6.58624907e-02 -2.68921709e-03] [-1.50107088e-11 -6.58624906e-02 2.68921708e-03] [-1.58973701e-11 6.58624907e-02 -2.68921709e-03]] Final stress: [-2.47841109e-03 -4.73006545e-04 -1.98521447e-04 1.63986690e-02 3.27666576e-14 1.39692145e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.07356288e-13 -1.17280370e-01 4.98197897e-02] [-1.11383017e-12 -5.80022893e-02 5.85749412e-02] [-1.14131869e-11 5.80022893e-02 -5.85749412e-02] [-9.58011968e-12 1.17280370e-01 -4.98197897e-02] [ 1.06877857e-11 -1.17280370e-01 4.98197897e-02] [ 1.20905534e-11 -5.80022893e-02 5.85749412e-02] [ 2.48800806e-12 5.80022893e-02 -5.85749412e-02] [ 9.65872347e-14 1.17280370e-01 -4.98197897e-02] [-6.15746820e-12 8.61519145e-02 -2.58340320e-02] [-5.48497879e-12 -8.61519145e-02 2.58340320e-02] [-9.52243210e-12 8.61519145e-02 -2.58340320e-02] [-6.32854142e-12 -8.61519145e-02 2.58340320e-02] [ 8.61645434e-12 -1.47739984e-01 -2.03695892e-02] [ 5.68488954e-12 1.47739984e-01 2.03695892e-02] [ 5.17665446e-12 -1.47739984e-01 -2.03695892e-02] [ 4.15273352e-12 1.47739984e-01 2.03695892e-02]] Final stress: [-1.49445225e-03 1.77620154e-03 5.80859768e-04 -1.27978344e-02 9.07863915e-14 2.23881420e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.07338615e-14 5.80022964e-02 5.85748844e-02] [-1.55116761e-11 1.17280369e-01 4.98197344e-02] [-1.32090255e-11 -1.17280369e-01 -4.98197344e-02] [ 5.57866253e-13 -5.80022964e-02 -5.85748844e-02] [ 9.64332021e-13 5.80022964e-02 5.85748844e-02] [ 1.31986123e-11 1.17280369e-01 4.98197344e-02] [ 1.67614932e-11 -1.17280369e-01 -4.98197344e-02] [ 2.71849383e-13 -5.80022964e-02 -5.85748844e-02] [-3.19022304e-12 8.61519345e-02 2.58340343e-02] [-1.12652379e-11 -8.61519345e-02 -2.58340343e-02] [-7.78470224e-12 8.61519345e-02 2.58340343e-02] [-7.46496137e-12 -8.61519345e-02 -2.58340343e-02] [ 7.51420237e-12 -1.47740001e-01 2.03695888e-02] [ 6.86717949e-12 1.47740001e-01 -2.03695888e-02] [ 2.76674500e-12 -1.47740001e-01 2.03695888e-02] [ 9.58921731e-12 1.47740001e-01 -2.03695888e-02]] Final stress: [-1.49445363e-03 1.77620209e-03 5.80860958e-04 1.27978346e-02 -1.31676276e-14 -3.06482509e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.83712789e-12 -1.71157847e-01 1.07483682e-01] [-4.49013526e-12 -1.74462789e-01 8.36656670e-02] [-7.57637399e-12 1.74462789e-01 -8.36656670e-02] [-1.82845926e-12 1.71157847e-01 -1.07483682e-01] [ 1.85233632e-12 -1.71157847e-01 1.07483682e-01] [ 7.53883934e-12 -1.74462789e-01 8.36656670e-02] [ 4.48752819e-12 1.74462789e-01 -8.36656670e-02] [ 2.88789240e-12 1.71157847e-01 -1.07483682e-01] [ 9.86578440e-14 2.05187580e-01 -8.47004916e-02] [ 3.30424056e-13 -2.05187580e-01 8.47004916e-02] [ 1.59966300e-12 2.05187580e-01 -8.47004916e-02] [ 2.35816878e-12 -2.05187580e-01 8.47004916e-02] [-1.62975579e-12 -2.26044213e-01 -1.28059581e-02] [-1.80119263e-12 2.26044213e-01 1.28059581e-02] [-5.30024253e-13 -2.26044213e-01 -1.28059581e-02] [-4.67559585e-13 2.26044213e-01 1.28059581e-02]] Final stress: [-3.11724572e-03 2.23446075e-03 7.52004764e-04 -2.02432807e-02 8.81792855e-15 3.17941573e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.51757901e-12 1.74462658e-01 8.36660369e-02] [-8.44849039e-12 1.71157787e-01 1.07484004e-01] [-4.92779114e-12 -1.71157787e-01 -1.07484004e-01] [-6.91256254e-12 -1.74462658e-01 -8.36660369e-02] [ 6.71457106e-12 1.74462658e-01 8.36660369e-02] [ 4.94384395e-12 1.71157787e-01 1.07484004e-01] [ 8.24856633e-12 -1.71157787e-01 -1.07484004e-01] [ 6.47442776e-12 -1.74462658e-01 -8.36660369e-02] [-3.92516358e-12 2.05187371e-01 8.47004221e-02] [-5.19207073e-13 -2.05187371e-01 -8.47004221e-02] [ 2.15093611e-12 2.05187371e-01 8.47004221e-02] [ 4.15056314e-12 -2.05187371e-01 -8.47004221e-02] [-1.51861509e-12 -2.26044025e-01 1.28059679e-02] [-3.54906572e-12 2.26044025e-01 -1.28059679e-02] [ 3.35107308e-12 -2.26044025e-01 1.28059679e-02] [ 2.80054381e-13 2.26044025e-01 -1.28059679e-02]] Final stress: [-3.11723528e-03 2.23445647e-03 7.51996659e-04 2.02432724e-02 -1.40243560e-14 1.97843714e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.27557559 -1.75437346 1.87497054] [ 0.31212439 -2.31934253 1.05847717] [-0.31212439 2.31934253 -1.05847717] [-0.27557559 1.75437346 -1.87497053] [ 0.27557559 -1.75437346 1.87497053] [ 0.31212439 -2.31934253 1.05847717] [-0.31212439 2.31934253 -1.05847717] [-0.27557559 1.75437346 -1.87497053] [-0.03627337 1.54065703 -1.12974499] [ 0.03627337 -1.54065703 1.12974499] [-0.03627337 1.54065703 -1.12974499] [ 0.03627337 -1.54065703 1.12974499] [ 0.00971395 -3.33192923 -0.65290171] [-0.00971395 3.33192923 0.65290171] [ 0.00971395 -3.33192923 -0.65290171] [-0.00971395 3.33192923 0.65290171]] Final stress: [-2.22016367e-02 2.94732113e-02 -1.40004058e-02 -3.00738789e-01 5.01792086e-03 1.36365105e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.27557042 -1.75436132 1.8749311 ] [-0.31211791 -2.31931872 1.05845372] [ 0.31211791 2.31931872 -1.05845372] [ 0.27557042 1.75436132 -1.8749311 ] [-0.27557042 -1.75436132 1.8749311 ] [-0.31211791 -2.31931872 1.05845372] [ 0.31211791 2.31931872 -1.05845372] [ 0.27557042 1.75436132 -1.8749311 ] [ 0.03627218 1.54064502 -1.12973085] [-0.03627218 -1.54064502 1.12973085] [ 0.03627218 1.54064502 -1.12973085] [-0.03627218 -1.54064502 1.12973085] [-0.00971364 -3.33188914 -0.65289266] [ 0.00971364 3.33188914 0.65289266] [-0.00971364 -3.33188914 -0.65289266] [ 0.00971364 3.33188914 0.65289266]] Final stress: [-2.22017047e-02 2.94730540e-02 -1.39998474e-02 -3.00735817e-01 -5.01782687e-03 -1.36364147e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.31212795 2.31934433 1.05848075] [ 0.27557867 1.75437453 1.87497533] [-0.27557867 -1.75437453 -1.87497533] [-0.31212795 -2.31934433 -1.05848075] [ 0.31212795 2.31934433 1.05848075] [ 0.27557867 1.75437453 1.87497533] [-0.27557867 -1.75437453 -1.87497533] [-0.31212795 -2.31934433 -1.05848075] [ 0.03627383 1.54065775 1.12974613] [-0.03627383 -1.54065775 -1.12974613] [ 0.03627383 1.54065775 1.12974613] [-0.03627383 -1.54065775 -1.12974613] [-0.00971407 -3.33193246 0.65290255] [ 0.00971407 3.33193246 -0.65290255] [-0.00971407 -3.33193246 0.65290255] [ 0.00971407 3.33193246 -0.65290255]] Final stress: [-2.22016016e-02 2.94732170e-02 -1.40004854e-02 3.00739038e-01 5.01797696e-03 -1.36366197e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.31212746 2.31933224 1.05847048] [-0.27557849 1.75436851 1.87495698] [ 0.27557849 -1.75436851 -1.87495698] [ 0.31212746 -2.31933224 -1.05847049] [-0.31212746 2.31933224 1.05847049] [-0.27557849 1.75436851 1.87495698] [ 0.27557849 -1.75436851 -1.87495698] [ 0.31212746 -2.31933224 -1.05847049] [-0.03627358 1.54065147 1.12973901] [ 0.03627358 -1.54065147 -1.12973901] [-0.03627358 1.54065147 1.12973901] [ 0.03627358 -1.54065147 -1.12973901] [ 0.00971401 -3.3319123 0.6528981 ] [-0.00971401 3.3319123 -0.6528981 ] [ 0.00971401 -3.3319123 0.6528981 ] [-0.00971401 3.3319123 -0.6528981 ]] Final stress: [-2.22016089e-02 2.94731316e-02 -1.40002362e-02 3.00737553e-01 -5.01797383e-03 1.36366639e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.53538667 -0.58398582 0.55511989] [ 0.58655401 -0.54977195 0.53238864] [-0.58655401 0.54977195 -0.53238864] [ 0.53538667 0.58398582 -0.55511989] [-0.53538667 -0.58398582 0.55511989] [ 0.58655401 -0.54977195 0.53238864] [-0.58655401 0.54977195 -0.53238864] [ 0.53538667 0.58398582 -0.55511989] [ 0.10916843 0.30643062 -0.21703734] [-0.10916843 -0.30643062 0.21703734] [ 0.10916843 0.30643062 -0.21703734] [-0.10916843 -0.30643062 0.21703734] [-0.38082664 -0.64717917 -0.14294959] [ 0.38082664 0.64717917 0.14294959] [-0.38082664 -0.64717917 -0.14294959] [ 0.38082664 0.64717917 0.14294959]] Final stress: [-0.0034372 0.00378109 -0.00603822 -0.08261999 -0.00161858 -0.0106918 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.53538711 -0.58398579 0.55512079] [-0.58655453 -0.5497717 0.53238964] [ 0.58655453 0.5497717 -0.53238964] [-0.53538711 0.58398579 -0.55512079] [ 0.53538711 -0.58398579 0.55512079] [-0.58655453 -0.5497717 0.53238964] [ 0.58655453 0.5497717 -0.53238964] [-0.53538711 0.58398579 -0.55512079] [-0.10916655 0.30643005 -0.21703725] [ 0.10916655 -0.30643005 0.21703725] [-0.10916655 0.30643005 -0.21703725] [ 0.10916655 -0.30643005 0.21703725] [ 0.38082502 -0.64717866 -0.1429496 ] [-0.38082502 0.64717866 0.1429496 ] [ 0.38082502 -0.64717866 -0.1429496 ] [-0.38082502 0.64717866 0.1429496 ]] Final stress: [-0.00343717 0.00378108 -0.00603824 -0.08261997 0.00161858 0.01069177] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.58655432 0.5497718 0.53238922] [ 0.53538692 0.58398581 0.55512042] [-0.53538692 -0.58398581 -0.55512042] [ 0.58655432 -0.5497718 -0.53238922] [-0.58655432 0.5497718 0.53238922] [ 0.53538692 0.58398581 0.55512042] [-0.53538692 -0.58398581 -0.55512042] [ 0.58655432 -0.5497718 -0.53238922] [ 0.10916733 0.30643029 0.21703729] [-0.10916733 -0.30643029 -0.21703729] [ 0.10916733 0.30643029 0.21703729] [-0.10916733 -0.30643029 -0.21703729] [-0.38082569 -0.64717888 0.1429496 ] [ 0.38082569 0.64717888 -0.1429496 ] [-0.38082569 -0.64717888 0.1429496 ] [ 0.38082569 0.64717888 -0.1429496 ]] Final stress: [-0.00343719 0.00378108 -0.00603823 0.08261998 0.00161858 -0.01069178] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.58655414 0.54977189 0.53238889] [-0.53538678 0.58398581 0.55512012] [ 0.53538678 -0.58398581 -0.55512012] [-0.58655414 -0.54977189 -0.53238889] [ 0.58655414 0.54977189 0.53238889] [-0.53538678 0.58398581 0.55512012] [ 0.53538678 -0.58398581 -0.55512012] [-0.58655414 -0.54977189 -0.53238889] [-0.10916796 0.30643048 0.21703732] [ 0.10916796 -0.30643048 -0.21703732] [-0.10916796 0.30643048 0.21703732] [ 0.10916796 -0.30643048 -0.21703732] [ 0.38082624 -0.64717905 0.14294959] [-0.38082624 0.64717905 -0.14294959] [ 0.38082624 -0.64717905 0.14294959] [-0.38082624 0.64717905 -0.14294959]] Final stress: [-0.00343719 0.00378109 -0.00603823 0.08261998 -0.00161858 0.01069179] Minimization converged after 5 steps. Minimization converged after 5 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 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.46389909e-12 -4.11549070e-02 1.61114645e-02] [-4.77107676e-12 -3.35003614e-02 2.02896629e-02] [-4.73065380e-12 3.35003614e-02 -2.02896629e-02] [-7.14350194e-12 4.11549070e-02 -1.61114645e-02] [ 7.46225217e-12 -4.11549070e-02 1.61114645e-02] [ 4.79031832e-12 -3.35003614e-02 2.02896629e-02] [ 5.09786310e-12 3.35003614e-02 -2.02896629e-02] [ 2.51227424e-12 4.11549070e-02 -1.61114645e-02] [-5.08286078e-12 -2.79784952e-03 -9.83709868e-03] [-3.75344721e-12 2.79784952e-03 9.83709867e-03] [ 2.31961629e-12 -2.79784952e-03 -9.83709868e-03] [ 4.85665848e-12 2.79784952e-03 9.83709867e-03] [-2.04469514e-12 -5.41841335e-02 -1.00536696e-02] [-4.38845577e-12 5.41841335e-02 1.00536696e-02] [ 4.47868962e-12 -5.41841335e-02 -1.00536696e-02] [ 2.84932188e-12 5.41841335e-02 1.00536696e-02]] Final stress: [-6.02415361e-04 4.30895784e-05 -2.92951967e-04 -5.59571304e-03 2.09493095e-14 1.37443250e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.67111149e-12 3.35003903e-02 2.02894626e-02] [-4.09530482e-13 4.11548973e-02 1.61112692e-02] [-3.70152249e-12 -4.11548973e-02 -1.61112692e-02] [-3.10507262e-12 -3.35003903e-02 -2.02894626e-02] [ 3.68873172e-12 3.35003903e-02 2.02894626e-02] [ 4.45039188e-12 4.11548973e-02 1.61112692e-02] [ 1.02632833e-12 -4.11548973e-02 -1.61112692e-02] [ 3.38782951e-12 -3.35003903e-02 -2.02894626e-02] [-9.73883539e-12 -2.79772513e-03 9.83710567e-03] [-8.47229838e-12 2.79772514e-03 -9.83710566e-03] [ 3.63173077e-12 -2.79772513e-03 9.83710566e-03] [ 4.53039646e-12 2.79772514e-03 -9.83710566e-03] [-3.69614799e-12 -5.41842427e-02 1.00536686e-02] [-4.34554294e-12 5.41842427e-02 -1.00536686e-02] [ 8.11866435e-12 -5.41842427e-02 1.00536686e-02] [ 7.29560550e-12 5.41842427e-02 -1.00536686e-02]] Final stress: [-6.02421424e-04 4.30920560e-05 -2.92947223e-04 5.59571387e-03 1.67323296e-14 9.87974702e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.40830262e-11 -1.32834688e-01 1.11976890e-02] [ 4.97892482e-12 -1.41812275e-01 -1.31964456e-02] [-1.87892096e-12 1.41812275e-01 1.31964456e-02] [ 8.00557017e-12 1.32834688e-01 -1.11976890e-02] [-8.20046776e-12 -1.32834688e-01 1.11976890e-02] [ 2.73936950e-12 -1.41812275e-01 -1.31964456e-02] [-5.05512049e-12 1.41812275e-01 1.31964456e-02] [-1.33397583e-11 1.32834688e-01 -1.11976890e-02] [ 1.77340881e-11 1.12354042e-01 -7.29061183e-02] [ 1.78869116e-11 -1.12354042e-01 7.29061183e-02] [-1.68141242e-11 1.12354042e-01 -7.29061183e-02] [-2.19504384e-11 -1.12354042e-01 7.29061183e-02] [ 1.48833988e-11 -1.21519531e-01 -5.74947399e-03] [ 1.93648747e-11 1.21519531e-01 5.74947398e-03] [-1.63504571e-11 -1.21519531e-01 -5.74947399e-03] [-1.60848144e-11 1.21519531e-01 5.74947398e-03]] Final stress: [-2.64803150e-03 1.50198658e-03 1.28289898e-03 -1.56959093e-02 5.73541852e-14 -2.19645045e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.29737873e-12 1.41812275e-01 -1.31964456e-02] [ 5.43018104e-12 1.32834688e-01 1.11976890e-02] [ 8.42602268e-12 -1.32834688e-01 -1.11976891e-02] [ 8.37560490e-12 -1.41812275e-01 1.31964456e-02] [-8.62650565e-12 1.41812275e-01 -1.31964456e-02] [-8.10395978e-12 1.32834688e-01 1.11976890e-02] [-5.68505627e-12 -1.32834688e-01 -1.11976891e-02] [-9.01541667e-12 -1.41812275e-01 1.31964456e-02] [ 1.35217072e-11 1.12354042e-01 7.29061183e-02] [ 1.57009562e-11 -1.12354042e-01 -7.29061183e-02] [-1.62128103e-11 1.12354042e-01 7.29061183e-02] [-1.95432199e-11 -1.12354042e-01 -7.29061183e-02] [ 1.45540728e-11 -1.21519531e-01 5.74947400e-03] [ 1.77283005e-11 1.21519531e-01 -5.74947400e-03] [-1.20952206e-11 -1.21519531e-01 5.74947401e-03] [-1.37351355e-11 1.21519531e-01 -5.74947401e-03]] Final stress: [-2.64803149e-03 1.50198658e-03 1.28289898e-03 1.56959092e-02 -9.14941984e-15 -1.76463772e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.23834633e-11 -1.23807342e-01 1.26824671e-01] [-3.29781669e-11 -3.91253959e-01 9.06178526e-02] [-3.24852550e-11 3.91253959e-01 -9.06178526e-02] [-3.22877966e-11 1.23807342e-01 -1.26824671e-01] [ 3.36197509e-11 -1.23807342e-01 1.26824671e-01] [ 3.49462998e-11 -3.91253959e-01 9.06178526e-02] [ 3.46026442e-11 3.91253959e-01 -9.06178526e-02] [ 3.44058490e-11 1.23807342e-01 -1.26824671e-01] [-2.63211039e-11 2.72183834e-01 -1.01539769e-01] [-3.14203047e-11 -2.72183834e-01 1.01539768e-01] [ 2.82844515e-11 2.72183834e-01 -1.01539768e-01] [ 9.02865152e-12 -2.72183834e-01 1.01539768e-01] [-2.51938895e-11 -2.69152159e-01 -5.67322839e-02] [-8.84149020e-12 2.69152159e-01 5.67322839e-02] [ 2.20787627e-11 -2.69152159e-01 -5.67322839e-02] [ 2.49470355e-11 2.69152159e-01 5.67322839e-02]] Final stress: [-6.81063806e-03 -6.88256938e-04 -2.02799169e-03 -3.63416335e-02 -6.90795592e-16 -7.60870920e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.84591145e-11 3.91196167e-01 9.05730098e-02] [-3.47890360e-11 1.23792466e-01 1.26762953e-01] [-3.15312843e-11 -1.23792466e-01 -1.26762953e-01] [-3.26798918e-11 -3.91196167e-01 -9.05730098e-02] [ 3.31077084e-11 3.91196167e-01 9.05730098e-02] [ 3.15279196e-11 1.23792466e-01 1.26762953e-01] [ 3.50661091e-11 -1.23792466e-01 -1.26762953e-01] [ 2.88877680e-11 -3.91196167e-01 -9.05730098e-02] [-2.55433084e-11 2.72069175e-01 1.01519276e-01] [-2.88883405e-11 -2.72069175e-01 -1.01519276e-01] [ 3.09931581e-11 2.72069175e-01 1.01519276e-01] [ 3.16735891e-11 -2.72069175e-01 -1.01519276e-01] [-2.68577309e-11 -2.69052756e-01 5.67275877e-02] [-2.86039499e-11 2.69052756e-01 -5.67275877e-02] [ 2.18594588e-11 -2.69052756e-01 5.67275877e-02] [ 2.42360382e-11 2.69052756e-01 -5.67275877e-02]] Final stress: [-6.80892928e-03 -6.88814492e-04 -2.02786788e-03 3.63373086e-02 2.39027625e-15 -5.08764216e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.74722411e-13 -1.74385719e-01 6.56324212e-02] [-4.46577042e-12 -4.33888683e-02 7.98302813e-02] [-2.96464262e-11 4.33888683e-02 -7.98302813e-02] [-4.39352981e-12 1.74385719e-01 -6.56324212e-02] [ 4.78569094e-12 -1.74385719e-01 6.56324211e-02] [ 2.97151266e-11 -4.33888683e-02 7.98302813e-02] [ 4.60195662e-12 4.33888683e-02 -7.98302813e-02] [ 4.80373553e-13 1.74385719e-01 -6.56324212e-02] [ 1.73551516e-12 -8.65675986e-03 -3.20368257e-02] [-1.85903896e-12 8.65675985e-03 3.20368257e-02] [-1.10983694e-12 -8.65675986e-03 -3.20368257e-02] [ 1.16997037e-12 8.65675984e-03 3.20368257e-02] [ 1.07763841e-12 -1.65800932e-01 -2.76764579e-02] [-2.57898412e-13 1.65800932e-01 2.76764579e-02] [-3.08351372e-12 -1.65800932e-01 -2.76764579e-02] [ 1.52012590e-12 1.65800932e-01 2.76764579e-02]] Final stress: [-7.83933071e-04 1.49768993e-03 -5.00393136e-05 -1.63954509e-02 1.29718736e-13 1.03484734e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.40848768e-13 4.33880441e-02 7.98120354e-02] [-9.17278861e-12 1.74378250e-01 6.56140911e-02] [-3.25111545e-11 -1.74378250e-01 -6.56140911e-02] [-7.01986212e-13 -4.33880442e-02 -7.98120354e-02] [ 1.13482368e-12 4.33880442e-02 7.98120354e-02] [ 3.25329347e-11 1.74378250e-01 6.56140911e-02] [ 9.39144433e-12 -1.74378250e-01 -6.56140911e-02] [ 6.77493868e-13 -4.33880441e-02 -7.98120354e-02] [-5.37729757e-12 -8.66900843e-03 3.20349338e-02] [-4.31540567e-12 8.66900848e-03 -3.20349338e-02] [-5.35275058e-13 -8.66900845e-03 3.20349338e-02] [ 7.22994147e-13 8.66900848e-03 -3.20349338e-02] [ 1.86904745e-13 -1.65782412e-01 2.76758841e-02] [ 5.19224339e-13 1.65782412e-01 -2.76758841e-02] [ 3.79849127e-12 -1.65782412e-01 2.76758841e-02] [ 3.98483950e-12 1.65782412e-01 -2.76758841e-02]] Final stress: [-7.83906241e-04 1.49754708e-03 -4.99276414e-05 1.63949165e-02 1.06253038e-13 2.27146521e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.16774257e-11 -2.41253682e-02 -4.19001318e-02] [-5.48072416e-12 -4.97554075e-02 -4.64016020e-02] [-3.46546457e-12 4.97554075e-02 4.64016020e-02] [-1.11994155e-11 2.41253682e-02 4.19001318e-02] [ 1.13428979e-11 -2.41253682e-02 -4.19001318e-02] [ 3.86206778e-12 -4.97554075e-02 -4.64016020e-02] [ 5.60496614e-12 4.97554075e-02 4.64016020e-02] [ 1.19117854e-11 2.41253682e-02 4.19001318e-02] [-4.06638113e-12 1.48968249e-02 -1.77325726e-02] [-6.37028451e-12 -1.48968249e-02 1.77325726e-02] [ 3.49048243e-12 1.48968249e-02 -1.77325726e-02] [ 1.66334307e-12 -1.48968249e-02 1.77325726e-02] [-2.76465092e-12 -2.88164387e-02 -3.03701987e-03] [-1.46351396e-12 2.88164387e-02 3.03701987e-03] [ 3.23351617e-12 -2.88164387e-02 -3.03701987e-03] [ 5.37222740e-12 2.88164387e-02 3.03701987e-03]] Final stress: [-1.51563341e-03 1.83260286e-04 8.23583159e-04 -4.34097468e-03 -1.07080099e-14 -1.75004969e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.05743056e-11 4.97554075e-02 -4.64016020e-02] [-6.80272115e-12 2.41253682e-02 -4.19001318e-02] [-1.06880185e-11 -2.41253682e-02 4.19001318e-02] [-2.90047934e-12 -4.97554075e-02 4.64016020e-02] [ 2.65077457e-12 4.97554075e-02 -4.64016020e-02] [ 1.06687120e-11 2.41253682e-02 -4.19001318e-02] [ 6.45157647e-12 -2.41253682e-02 4.19001318e-02] [ 1.05447168e-11 -4.97554075e-02 4.64016020e-02] [-4.17158213e-12 1.48968249e-02 1.77325726e-02] [-7.85906930e-13 -1.48968249e-02 -1.77325726e-02] [ 5.51915501e-12 1.48968249e-02 1.77325726e-02] [ 3.72182667e-12 -1.48968249e-02 -1.77325726e-02] [-5.26117995e-12 -2.88164387e-02 3.03701988e-03] [-2.34829284e-12 2.88164387e-02 -3.03701988e-03] [ 3.03185463e-12 -2.88164387e-02 3.03701988e-03] [ 9.37302861e-13 2.88164387e-02 -3.03701988e-03]] Final stress: [-1.51563341e-03 1.83260286e-04 8.23583159e-04 4.34097468e-03 -1.63177046e-14 3.22654477e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.29982385e-12 -4.36428635e-02 6.90220550e-03] [-6.39085182e-12 -2.01459054e-02 1.11062433e-02] [-1.50273739e-12 2.01459054e-02 -1.11062433e-02] [-7.41621174e-13 4.36428635e-02 -6.90220550e-03] [ 7.16936818e-13 -4.36428635e-02 6.90220549e-03] [ 1.36316392e-12 -2.01459054e-02 1.11062433e-02] [ 6.27018543e-12 2.01459054e-02 -1.11062433e-02] [ 2.21693323e-12 4.36428635e-02 -6.90220550e-03] [-1.84969444e-12 4.92443288e-03 -8.05216881e-03] [-1.65703822e-12 -4.92443287e-03 8.05216880e-03] [ 1.05943466e-13 4.92443287e-03 -8.05216880e-03] [ 1.47538579e-12 -4.92443287e-03 8.05216881e-03] [ 2.76761253e-13 -4.00133065e-02 -8.44101374e-03] [-1.19611330e-12 4.00133065e-02 8.44101374e-03] [ 1.84147568e-12 -4.00133065e-02 -8.44101374e-03] [ 1.37299224e-12 4.00133065e-02 8.44101374e-03]] Final stress: [-3.43415419e-04 4.00175442e-04 5.01568822e-05 -4.75678984e-03 -2.85005911e-14 6.97199761e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 8.12043575e-14 2.01458978e-02 1.11063073e-02] [-6.03984310e-13 4.36428655e-02 6.90226812e-03] [-1.86376674e-12 -4.36428655e-02 -6.90226811e-03] [-1.59427072e-12 -2.01458978e-02 -1.11063073e-02] [ 1.88861687e-12 2.01458978e-02 1.11063073e-02] [ 1.80517190e-12 4.36428655e-02 6.90226812e-03] [ 9.61263512e-13 -4.36428655e-02 -6.90226811e-03] [-1.11980087e-13 -2.01458978e-02 -1.11063073e-02] [-1.70367691e-12 4.92440669e-03 8.05216672e-03] [-4.46591288e-12 -4.92440668e-03 -8.05216672e-03] [ 3.28972635e-13 4.92440669e-03 8.05216672e-03] [ 1.71814125e-12 -4.92440668e-03 -8.05216672e-03] [-1.95276087e-13 -4.00132838e-02 8.44101406e-03] [-1.67615664e-12 4.00132838e-02 -8.44101406e-03] [ 1.62710150e-12 -4.00132838e-02 8.44101406e-03] [ 3.81145986e-12 4.00132838e-02 -8.44101407e-03]] Final stress: [-3.43413781e-04 4.00174788e-04 5.01555028e-05 4.75678959e-03 1.25794629e-14 -1.49734608e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.76749233e-02 -1.46966316e-01 2.38706730e-02] [ 6.80318415e-02 -1.46873252e-01 2.63197970e-02] [-6.80318415e-02 1.46873252e-01 -2.63197970e-02] [-6.76749234e-02 1.46966316e-01 -2.38706730e-02] [ 6.76749234e-02 -1.46966316e-01 2.38706729e-02] [ 6.80318415e-02 -1.46873252e-01 2.63197970e-02] [-6.80318415e-02 1.46873252e-01 -2.63197970e-02] [-6.76749233e-02 1.46966316e-01 -2.38706730e-02] [-5.30856046e-04 1.33786994e-01 -5.07491741e-02] [ 5.30856078e-04 -1.33786994e-01 5.07491741e-02] [-5.30856082e-04 1.33786994e-01 -5.07491741e-02] [ 5.30856077e-04 -1.33786994e-01 5.07491741e-02] [ 1.60288636e-04 -2.40905257e-01 -3.29034653e-02] [-1.60288629e-04 2.40905257e-01 3.29034653e-02] [ 1.60288602e-04 -2.40905257e-01 -3.29034653e-02] [-1.60288631e-04 2.40905257e-01 3.29034653e-02]] Final stress: [-4.74090487e-03 1.86282127e-03 1.09557887e-03 -2.12161253e-02 1.21451273e-03 5.25987722e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.76704992e-02 -1.46954464e-01 2.38381304e-02] [-6.80273628e-02 -1.46862932e-01 2.62892621e-02] [ 6.80273628e-02 1.46862932e-01 -2.62892621e-02] [ 6.76704991e-02 1.46954464e-01 -2.38381304e-02] [-6.76704991e-02 -1.46954464e-01 2.38381304e-02] [-6.80273628e-02 -1.46862932e-01 2.62892621e-02] [ 6.80273628e-02 1.46862932e-01 -2.62892621e-02] [ 6.76704992e-02 1.46954464e-01 -2.38381304e-02] [ 5.30786485e-04 1.33746150e-01 -5.07436918e-02] [-5.30786467e-04 -1.33746150e-01 5.07436918e-02] [ 5.30786491e-04 1.33746150e-01 -5.07436918e-02] [-5.30786490e-04 -1.33746150e-01 5.07436918e-02] [-1.60269195e-04 -2.40859459e-01 -3.29020817e-02] [ 1.60269195e-04 2.40859459e-01 3.29020818e-02] [-1.60269191e-04 -2.40859459e-01 -3.29020818e-02] [ 1.60269174e-04 2.40859459e-01 3.29020818e-02]] Final stress: [-4.74044180e-03 1.86246089e-03 1.09563925e-03 -2.12147507e-02 -1.21443277e-03 -5.25941317e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.80261757e-02 1.46861007e-01 2.62832116e-02] [ 6.76693244e-02 1.46952202e-01 2.38317084e-02] [-6.76693244e-02 -1.46952202e-01 -2.38317084e-02] [-6.80261758e-02 -1.46861007e-01 -2.62832117e-02] [ 6.80261758e-02 1.46861007e-01 2.62832116e-02] [ 6.76693244e-02 1.46952202e-01 2.38317084e-02] [-6.76693244e-02 -1.46952202e-01 -2.38317084e-02] [-6.80261757e-02 -1.46861007e-01 -2.62832117e-02] [ 5.30770495e-04 1.33738504e-01 5.07426612e-02] [-5.30770480e-04 -1.33738504e-01 -5.07426611e-02] [ 5.30770483e-04 1.33738504e-01 5.07426611e-02] [-5.30770516e-04 -1.33738504e-01 -5.07426611e-02] [-1.60264707e-04 -2.40850852e-01 3.29018162e-02] [ 1.60264739e-04 2.40850852e-01 -3.29018162e-02] [-1.60264720e-04 -2.40850852e-01 3.29018162e-02] [ 1.60264704e-04 2.40850852e-01 -3.29018162e-02]] Final stress: [-4.74036036e-03 1.86239497e-03 1.09565614e-03 2.12144905e-02 1.21441160e-03 -5.25930640e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.80236526e-02 1.46855096e-01 2.62657661e-02] [-6.76668322e-02 1.46945420e-01 2.38131127e-02] [ 6.76668322e-02 -1.46945420e-01 -2.38131127e-02] [ 6.80236526e-02 -1.46855096e-01 -2.62657662e-02] [-6.80236526e-02 1.46855096e-01 2.62657661e-02] [-6.76668322e-02 1.46945420e-01 2.38131127e-02] [ 6.76668322e-02 -1.46945420e-01 -2.38131127e-02] [ 6.80236526e-02 -1.46855096e-01 -2.62657662e-02] [-5.30731020e-04 1.33715116e-01 5.07395223e-02] [ 5.30731025e-04 -1.33715116e-01 -5.07395222e-02] [-5.30731019e-04 1.33715116e-01 5.07395223e-02] [ 5.30731026e-04 -1.33715116e-01 -5.07395222e-02] [ 1.60253708e-04 -2.40824630e-01 3.29010248e-02] [-1.60253711e-04 2.40824630e-01 -3.29010247e-02] [ 1.60253707e-04 -2.40824630e-01 3.29010248e-02] [-1.60253713e-04 2.40824630e-01 -3.29010247e-02]] Final stress: [-4.74009456e-03 1.86218842e-03 1.09569004e-03 2.12137037e-02 -1.21436656e-03 5.25904345e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.0768695 -0.1113601 0.05023857] [ 0.07874051 -0.10002479 0.05786502] [-0.07874051 0.10002479 -0.05786502] [ 0.0768695 0.1113601 -0.05023857] [-0.0768695 -0.1113601 0.05023857] [ 0.07874051 -0.10002479 0.05786502] [-0.07874051 0.10002479 -0.05786502] [ 0.0768695 0.1113601 -0.05023857] [-0.00097794 0.03500288 -0.03237962] [ 0.00097794 -0.03500288 0.03237962] [-0.00097794 0.03500288 -0.03237962] [ 0.00097794 -0.03500288 0.03237962] [-0.04613209 -0.12263332 -0.02620239] [ 0.04613209 0.12263332 0.02620239] [-0.04613209 -0.12263332 -0.02620239] [ 0.04613209 0.12263332 0.02620239]] Final stress: [-1.53438622e-03 4.41108604e-04 -4.93898771e-04 -1.57502699e-02 -5.07229245e-05 -1.60731381e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.07686402 -0.11135587 0.05022336] [-0.07873493 -0.10002189 0.05785026] [ 0.07873493 0.10002189 -0.05785026] [-0.07686402 0.11135587 -0.05022336] [ 0.07686402 -0.11135587 0.05022336] [-0.07873493 -0.10002189 0.05785026] [ 0.07873493 0.10002189 -0.05785026] [-0.07686402 0.11135587 -0.05022336] [ 0.00098128 0.03499083 -0.03237793] [-0.00098128 -0.03499083 0.03237793] [ 0.00098128 0.03499083 -0.03237793] [-0.00098128 -0.03499083 0.03237793] [ 0.04612721 -0.12261932 -0.02620193] [-0.04612721 0.12261932 0.02620193] [ 0.04612721 -0.12261932 -0.02620193] [-0.04612721 0.12261932 0.02620193]] Final stress: [-1.53433824e-03 4.41028065e-04 -4.93785976e-04 -1.57498190e-02 5.07190297e-05 1.60720877e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.0787328 0.10002079 0.05784462] [ 0.07686192 0.11135426 0.05021755] [-0.07686192 -0.11135426 -0.05021755] [ 0.0787328 -0.10002079 -0.05784462] [-0.0787328 0.10002079 0.05784462] [ 0.07686192 0.11135426 0.05021755] [-0.07686192 -0.11135426 -0.05021755] [ 0.0787328 -0.10002079 -0.05784462] [-0.00098254 0.03498624 0.03237728] [ 0.00098254 -0.03498624 -0.03237728] [-0.00098254 0.03498624 0.03237728] [ 0.00098254 -0.03498624 -0.03237728] [-0.04612537 -0.12261398 0.02620176] [ 0.04612537 0.12261398 -0.02620176] [-0.04612537 -0.12261398 0.02620176] [ 0.04612537 0.12261398 -0.02620176]] Final stress: [-1.53432030e-03 4.40997495e-04 -4.93742664e-04 1.57496471e-02 5.07175453e-05 -1.60716899e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.07873953 0.10002419 0.05786247] [-0.07686854 0.1113593 0.05023592] [ 0.07686854 -0.1113593 -0.05023592] [-0.07873953 -0.10002419 -0.05786247] [ 0.07873953 0.10002419 0.05786247] [-0.07686854 0.1113593 0.05023592] [ 0.07686854 -0.1113593 -0.05023592] [-0.07873953 -0.10002419 -0.05786247] [ 0.00097888 0.03500044 0.03237929] [-0.00097888 -0.03500044 -0.03237929] [ 0.00097888 0.03500044 0.03237929] [-0.00097888 -0.03500044 -0.03237929] [ 0.0461309 -0.12263053 0.0262023 ] [-0.0461309 0.12263053 -0.0262023 ] [ 0.0461309 -0.12263053 0.0262023 ] [-0.0461309 0.12263053 -0.0262023 ]] Final stress: [-1.53436966e-03 4.41090271e-04 -4.93883215e-04 1.57501824e-02 -5.07221548e-05 1.60728828e-03] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.84663970e-12 -1.67484773e-02 4.02682047e-04] [-2.15614809e-12 -1.27621908e-02 2.53289052e-03] [-3.90651758e-12 1.27621908e-02 -2.53289051e-03] [-2.91345680e-12 1.67484773e-02 -4.02682050e-04] [ 2.66308752e-12 -1.67484773e-02 4.02682045e-04] [ 3.56935705e-12 -1.27621908e-02 2.53289052e-03] [ 1.90858462e-12 1.27621908e-02 -2.53289051e-03] [ 1.52645214e-12 1.67484773e-02 -4.02682056e-04] [ 2.47202237e-12 -1.26297960e-02 -3.34532100e-03] [ 2.42822169e-12 1.26297960e-02 3.34532100e-03] [ 3.58353484e-12 -1.26297960e-02 -3.34532100e-03] [ 3.60870058e-12 1.26297960e-02 3.34532100e-03] [-3.19199528e-12 -1.84239860e-02 -4.24524812e-03] [-3.13123290e-12 1.84239860e-02 4.24524812e-03] [-2.30513747e-12 -1.84239860e-02 -4.24524812e-03] [-2.30696487e-12 1.84239860e-02 4.24524812e-03]] Final stress: [-1.43600134e-04 -5.70441608e-05 -1.21914596e-04 -2.22004537e-03 1.25412626e-14 5.53465604e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.38894105e-13 1.27621793e-02 2.53261435e-03] [-9.50007000e-13 1.67484385e-02 4.02403833e-04] [-1.29987991e-12 -1.67484385e-02 -4.02403827e-04] [-2.04297690e-12 -1.27621793e-02 -2.53261436e-03] [ 2.25218791e-12 1.27621793e-02 2.53261436e-03] [ 1.40104464e-12 1.67484385e-02 4.02403827e-04] [ 1.04346826e-12 -1.67484385e-02 -4.02403828e-04] [ 2.18093339e-13 -1.27621793e-02 -2.53261435e-03] [ 1.97669572e-14 -1.26299974e-02 3.34530918e-03] [-4.09223610e-12 1.26299974e-02 -3.34530918e-03] [ 4.58629131e-12 -1.26299974e-02 3.34530918e-03] [ 4.05940169e-12 1.26299974e-02 -3.34530918e-03] [-4.25613104e-12 -1.84237529e-02 4.24524560e-03] [-3.97303311e-12 1.84237529e-02 -4.24524559e-03] [-3.03755312e-13 -1.84237529e-02 4.24524559e-03] [ 3.48384356e-12 1.84237529e-02 -4.24524559e-03]] Final stress: [-1.43599810e-04 -5.70453236e-05 -1.21912307e-04 2.22004220e-03 1.02892774e-14 -2.28027458e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.75508431e-11 -2.28716372e-01 2.13297825e-01] [-7.57911566e-11 -2.09635139e-01 2.10781422e-01] [-7.69586419e-11 2.09635139e-01 -2.10781422e-01] [-8.62455168e-11 2.28716372e-01 -2.13297825e-01] [ 9.11367585e-11 -2.28716372e-01 2.13297825e-01] [ 6.98403470e-11 -2.09635139e-01 2.10781422e-01] [ 8.26281848e-11 2.09635139e-01 -2.10781422e-01] [ 3.33682734e-11 2.28716372e-01 -2.13297825e-01] [ 6.30119108e-11 2.34548254e-01 -8.13636805e-02] [-7.82013352e-11 -2.34548254e-01 8.13636805e-02] [-4.96612213e-12 2.34548254e-01 -8.13636805e-02] [-4.15359925e-11 -2.34548254e-01 8.13636805e-02] [ 1.14400616e-11 -3.66269147e-01 -4.58136233e-02] [ 3.99494585e-11 3.66269147e-01 4.58136233e-02] [-5.60127574e-11 -3.66269147e-01 -4.58136233e-02] [ 6.58826602e-11 3.66269147e-01 4.58136233e-02]] Final stress: [-4.11547087e-03 2.35408526e-03 -9.20277946e-04 -3.10396497e-02 2.14678819e-13 -7.83798274e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.08919238e-11 2.09655523e-01 2.10846078e-01] [-7.30978225e-11 2.28741554e-01 2.13366279e-01] [-7.02342173e-11 -2.28741554e-01 -2.13366279e-01] [ 5.32385516e-11 -2.09655523e-01 -2.10846078e-01] [-4.67883839e-11 2.09655523e-01 2.10846078e-01] [ 6.61458566e-11 2.28741554e-01 2.13366279e-01] [ 7.74367528e-11 -2.28741554e-01 -2.13366279e-01] [-5.40900486e-11 -2.09655523e-01 -2.10846078e-01] [ 6.86017662e-11 2.34609382e-01 8.13745037e-02] [-2.65777738e-11 -2.34609381e-01 -8.13745037e-02] [-1.08219822e-11 2.34609382e-01 8.13745037e-02] [-4.27058501e-11 -2.34609381e-01 -8.13745037e-02] [ 8.65416506e-12 -3.66341340e-01 4.58171505e-02] [ 3.83896307e-11 3.66341340e-01 -4.58171505e-02] [-6.15130850e-11 -3.66341340e-01 4.58171505e-02] [ 2.24710537e-11 3.66341340e-01 -4.58171506e-02]] Final stress: [-4.11586929e-03 2.35455547e-03 -9.20717958e-04 3.10425436e-02 -1.82017222e-14 -5.72993278e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.02111504e-12 -2.11251743e-02 2.06370156e-02] [-1.07692932e-11 -5.41608638e-02 2.33200366e-02] [-1.24219119e-11 5.41608638e-02 -2.33200366e-02] [ 2.79878551e-13 2.11251743e-02 -2.06370156e-02] [ 5.43299889e-13 -2.11251743e-02 2.06370156e-02] [ 1.33685411e-11 -5.41608638e-02 2.33200366e-02] [ 1.15769186e-11 5.41608638e-02 -2.33200366e-02] [ 4.07052083e-12 2.11251743e-02 -2.06370156e-02] [-1.15096047e-11 2.42953970e-02 -1.10660956e-02] [-1.38404349e-11 -2.42953970e-02 1.10660956e-02] [-3.38690707e-12 2.42953970e-02 -1.10660956e-02] [-7.20057087e-12 -2.42953970e-02 1.10660956e-02] [ 3.28921959e-12 -4.60313552e-02 -9.26202101e-03] [ 6.82750430e-12 4.60313552e-02 9.26202101e-03] [ 1.00015024e-11 -4.60313552e-02 -9.26202101e-03] [ 1.21890951e-11 4.60313552e-02 9.26202101e-03]] Final stress: [-9.58821028e-04 -2.36117085e-04 -5.00751145e-04 -5.57211280e-03 -7.53034693e-15 -1.99031621e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.10299984e-12 5.41609081e-02 2.33198131e-02] [-1.02269987e-11 2.11251621e-02 2.06367998e-02] [-1.35675629e-11 -2.11251621e-02 -2.06367998e-02] [-9.75368224e-13 -5.41609081e-02 -2.33198131e-02] [ 1.30487244e-12 5.41609081e-02 2.33198131e-02] [ 1.41285061e-11 2.11251621e-02 2.06367998e-02] [ 1.03791089e-11 -2.11251621e-02 -2.06367998e-02] [ 4.84966125e-12 -5.41609081e-02 -2.33198131e-02] [-1.45599010e-11 2.42955103e-02 1.10661070e-02] [-1.39126037e-11 -2.42955103e-02 -1.10661070e-02] [ 9.22958075e-12 2.42955103e-02 1.10661070e-02] [ 9.51387406e-13 -2.42955103e-02 -1.10661070e-02] [-8.58487543e-12 -4.60314461e-02 9.26201980e-03] [-2.03698142e-13 4.60314462e-02 -9.26201979e-03] [ 1.24778578e-11 -4.60314462e-02 9.26201979e-03] [ 1.28099643e-11 4.60314462e-02 -9.26201979e-03]] Final stress: [-9.58827273e-04 -2.36114884e-04 -5.00746354e-04 5.57211428e-03 1.28281844e-15 -4.26774706e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.38575804e-12 -3.75828771e-02 -3.91196826e-03] [-1.02335336e-11 -9.42457465e-03 -2.22079682e-04] [-1.04145588e-11 9.42457464e-03 2.22079690e-04] [-1.95756866e-12 3.75828771e-02 3.91196824e-03] [ 2.39982134e-12 -3.75828771e-02 -3.91196825e-03] [ 1.12637360e-11 -9.42457465e-03 -2.22079674e-04] [ 1.06420291e-11 9.42457464e-03 2.22079688e-04] [-2.50433897e-12 3.75828771e-02 3.91196824e-03] [-8.99602485e-12 -2.40756601e-02 -5.51111702e-03] [-3.05887520e-12 2.40756601e-02 5.51111703e-03] [-3.59751042e-12 -2.40756601e-02 -5.51111702e-03] [-3.95860818e-12 2.40756601e-02 5.51111703e-03] [ 3.44089384e-12 -2.63599621e-02 -6.68831359e-03] [ 3.53987659e-12 2.63599621e-02 6.68831359e-03] [ 7.79736964e-12 -2.63599621e-02 -6.68831359e-03] [ 2.24737815e-12 2.63599621e-02 6.68831359e-03]] Final stress: [-1.81215307e-04 1.24467430e-04 3.70746345e-05 -3.60805951e-03 2.47435484e-14 2.12165721e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.29452915e-12 9.42458279e-03 -2.22136556e-04] [-1.06066156e-11 3.75828768e-02 -3.91202354e-03] [-1.08907065e-11 -3.75828768e-02 3.91202355e-03] [ 8.81192688e-13 -9.42458280e-03 2.22136570e-04] [-2.47505900e-13 9.42458279e-03 -2.22136559e-04] [ 1.09259446e-11 3.75828768e-02 -3.91202355e-03] [ 1.11887168e-11 -3.75828768e-02 3.91202355e-03] [ 2.40120358e-12 -9.42458279e-03 2.22136566e-04] [-2.33129076e-12 -2.40756053e-02 5.51111969e-03] [-2.08234211e-12 2.40756053e-02 -5.51111970e-03] [-4.71875382e-12 -2.40756053e-02 5.51111969e-03] [-4.73673618e-13 2.40756053e-02 -5.51111970e-03] [ 4.22602058e-12 -2.63600144e-02 6.68831336e-03] [ 7.79100498e-13 2.63600144e-02 -6.68831336e-03] [ 1.69082277e-12 -2.63600144e-02 6.68831336e-03] [ 1.56532472e-12 2.63600144e-02 -6.68831336e-03]] Final stress: [-1.81217462e-04 1.24468437e-04 3.70762521e-05 3.60805989e-03 -1.31556385e-14 2.00756668e-14] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.67494795e-10 -8.74469923e-01 1.67621186e+00] [-6.71520298e-10 -1.47368154e+00 9.04722834e-01] [-9.45444674e-10 1.47368154e+00 -9.04722837e-01] [-5.64838482e-10 8.74469923e-01 -1.67621186e+00] [ 5.81730757e-10 -8.74469923e-01 1.67621186e+00] [ 9.27796966e-10 -1.47368154e+00 9.04722836e-01] [ 7.08178072e-10 1.47368154e+00 -9.04722835e-01] [ 4.42763148e-10 8.74469923e-01 -1.67621186e+00] [-4.81148790e-10 -3.45917646e-02 -8.36466030e-01] [-5.28132077e-10 3.45917651e-02 8.36466031e-01] [-9.73279951e-11 -3.45917645e-02 -8.36466030e-01] [ 4.74309131e-10 3.45917653e-02 8.36466030e-01] [ 1.44553441e-10 -1.50187959e+00 -4.51673999e-01] [-3.52736770e-10 1.50187959e+00 4.51673999e-01] [ 3.85786082e-10 -1.50187959e+00 -4.51673999e-01] [ 4.43527957e-10 1.50187959e+00 4.51673999e-01]] Final stress: [-7.14180794e-03 -7.28436666e-03 -4.26734810e-02 -1.68466001e-01 1.62646876e-12 2.14955197e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-7.33567026e-10 1.47368447e+00 9.04708129e-01] [-9.39103417e-10 8.74469118e-01 1.67619962e+00] [-5.10978494e-10 -8.74469118e-01 -1.67619962e+00] [-5.45866970e-10 -1.47368447e+00 -9.04708128e-01] [ 6.18867986e-10 1.47368447e+00 9.04708129e-01] [ 5.28976862e-10 8.74469118e-01 1.67619962e+00] [ 9.54945300e-10 -8.74469118e-01 -1.67619962e+00] [ 7.86469885e-10 -1.47368447e+00 -9.04708128e-01] [-8.25663185e-10 -3.45790732e-02 8.36466963e-01] [-3.81509025e-10 3.45790735e-02 -8.36466963e-01] [-9.09838570e-11 -3.45790735e-02 8.36466963e-01] [ 1.88829212e-10 3.45790732e-02 -8.36466963e-01] [ 9.87595999e-11 -1.50189064e+00 4.51673964e-01] [-1.49466824e-10 1.50189064e+00 -4.51673964e-01] [ 7.06057215e-10 -1.50189064e+00 4.51673964e-01] [ 2.94232658e-10 1.50189064e+00 -4.51673963e-01]] Final stress: [-7.14228823e-03 -7.28418345e-03 -4.26730999e-02 1.68466070e-01 -2.89421376e-12 2.90491970e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.75906327e-12 -1.83102006e-02 1.22538981e-03] [-5.21086733e-12 -7.71338279e-03 3.14310830e-03] [-5.39523818e-12 7.71338278e-03 -3.14310830e-03] [-3.22935255e-12 1.83102006e-02 -1.22538980e-03] [ 3.14103377e-12 -1.83102006e-02 1.22538981e-03] [ 5.12121855e-12 -7.71338279e-03 3.14310830e-03] [ 5.21631664e-12 7.71338279e-03 -3.14310830e-03] [ 2.57107465e-12 1.83102006e-02 -1.22538980e-03] [ 1.15671253e-12 -5.09531254e-03 -2.91881934e-03] [-1.03502710e-12 5.09531254e-03 2.91881934e-03] [ 2.46121320e-12 -5.09531254e-03 -2.91881935e-03] [ 3.02719004e-12 5.09531254e-03 2.91881935e-03] [-2.07400503e-12 -1.64005690e-02 -3.68260179e-03] [-2.62225994e-12 1.64005690e-02 3.68260179e-03] [-1.18947284e-12 -1.64005690e-02 -3.68260179e-03] [ 8.23377878e-13 1.64005690e-02 3.68260179e-03]] Final stress: [-7.97859865e-05 1.07694174e-04 -4.32867588e-05 -1.93601503e-03 2.56715795e-15 -8.33194863e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.37718774e-12 7.71341021e-03 3.14364467e-03] [-3.12184350e-12 1.83102992e-02 1.22593318e-03] [-3.26002116e-12 -1.83102992e-02 -1.22593317e-03] [-4.05902395e-12 -7.71341021e-03 -3.14364469e-03] [ 3.88101628e-12 7.71341021e-03 3.14364468e-03] [ 2.65553551e-12 1.83102992e-02 1.22593318e-03] [ 2.86577186e-12 -1.83102992e-02 -1.22593317e-03] [ 3.86492357e-12 -7.71341021e-03 -3.14364469e-03] [ 3.06034972e-12 -5.09472068e-03 2.91885037e-03] [ 5.53591895e-13 5.09472068e-03 -2.91885036e-03] [ 1.87838785e-13 -5.09472067e-03 2.91885036e-03] [ 6.84123765e-13 5.09472068e-03 -2.91885036e-03] [ 2.58123384e-13 -1.64011979e-02 3.68260645e-03] [-1.75991058e-13 1.64011979e-02 -3.68260645e-03] [-2.59120529e-12 -1.64011979e-02 3.68260645e-03] [-4.34211857e-13 1.64011979e-02 -3.68260645e-03]] Final stress: [-7.97901324e-05 1.07699396e-04 -4.32884303e-05 1.93602270e-03 -6.04143904e-16 -7.72815105e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.33026383e-11 -4.19939924e-01 3.90214425e-01] [-6.48423001e-11 -3.98119218e-01 3.68683410e-01] [-7.86740621e-11 3.98119218e-01 -3.68683410e-01] [-7.61615875e-11 4.19939924e-01 -3.90214425e-01] [ 7.81026676e-11 -4.19939924e-01 3.90214425e-01] [ 7.71444571e-11 -3.98119218e-01 3.68683410e-01] [ 6.83603245e-11 3.98119218e-01 -3.68683410e-01] [ 8.21130566e-11 4.19939924e-01 -3.90214425e-01] [-5.05770308e-11 4.10019629e-01 -1.56342476e-01] [-7.09208465e-11 -4.10019629e-01 1.56342475e-01] [ 5.89430030e-11 4.10019629e-01 -1.56342475e-01] [ 6.78420961e-11 -4.10019629e-01 1.56342475e-01] [-5.15051357e-11 -6.70249015e-01 -9.65869982e-02] [-5.85471777e-11 6.70249015e-01 9.65869982e-02] [ 4.24684915e-11 -6.70249015e-01 -9.65869981e-02] [ 5.95499288e-11 6.70249015e-01 9.65869982e-02]] Final stress: [-7.04246699e-03 4.54181850e-03 -1.91941440e-03 -5.84205055e-02 2.57519977e-14 -1.55333083e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.14510418e-11 3.98111459e-01 3.68662810e-01] [-9.54927626e-11 4.19931321e-01 3.90191733e-01] [-8.65643563e-11 -4.19931321e-01 -3.90191733e-01] [-7.58702155e-11 -3.98111459e-01 -3.68662810e-01] [ 7.68686715e-11 3.98111459e-01 3.68662810e-01] [ 8.50058227e-11 4.19931321e-01 3.90191733e-01] [ 9.63204292e-11 -4.19931321e-01 -3.90191733e-01] [ 7.87023890e-11 -3.98111459e-01 -3.68662810e-01] [-5.71005409e-11 4.09997161e-01 1.56338532e-01] [-7.74485207e-11 -4.09997161e-01 -1.56338532e-01] [ 6.50480301e-11 4.09997161e-01 1.56338532e-01] [ 7.21334542e-11 -4.09997161e-01 -1.56338532e-01] [-5.42434795e-11 -6.70222171e-01 9.65852546e-02] [-6.20226720e-11 6.70222171e-01 -9.65852546e-02] [ 4.93645952e-11 -6.70222171e-01 9.65852546e-02] [ 6.67606332e-11 6.70222171e-01 -9.65852546e-02]] Final stress: [-7.04227734e-03 4.54162599e-03 -1.91928829e-03 5.84194474e-02 -6.46765721e-14 -4.23592238e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.58410875e-02 -2.96776665e-02 -9.94641895e-03] [ 2.58649829e-02 -2.79921290e-02 -6.98529217e-03] [-2.58649829e-02 2.79921290e-02 6.98529219e-03] [-2.58410875e-02 2.96776665e-02 9.94641894e-03] [ 2.58410875e-02 -2.96776665e-02 -9.94641894e-03] [ 2.58649829e-02 -2.79921290e-02 -6.98529218e-03] [-2.58649829e-02 2.79921290e-02 6.98529219e-03] [-2.58410875e-02 2.96776665e-02 9.94641895e-03] [-4.05567917e-05 5.49725425e-03 -7.91416568e-03] [ 4.05567808e-05 -5.49725425e-03 7.91416568e-03] [-4.05567829e-05 5.49725425e-03 -7.91416569e-03] [ 4.05567939e-05 -5.49725425e-03 7.91416569e-03] [ 1.31525177e-05 -4.27988098e-02 -7.37763354e-03] [-1.31525282e-05 4.27988099e-02 7.37763353e-03] [ 1.31525260e-05 -4.27988098e-02 -7.37763353e-03] [-1.31525166e-05 4.27988099e-02 7.37763353e-03]] Final stress: [-9.60445628e-04 2.13421221e-04 2.27088657e-04 -4.30006894e-03 4.63798246e-04 5.22793435e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.58412820e-02 -2.96776724e-02 -9.94622366e-03] [-2.58651776e-02 -2.79920944e-02 -6.98509072e-03] [ 2.58651776e-02 2.79920944e-02 6.98509073e-03] [ 2.58412820e-02 2.96776724e-02 9.94622366e-03] [-2.58412820e-02 -2.96776724e-02 -9.94622366e-03] [-2.58651776e-02 -2.79920944e-02 -6.98509071e-03] [ 2.58651776e-02 2.79920944e-02 6.98509074e-03] [ 2.58412820e-02 2.96776724e-02 9.94622365e-03] [ 4.05571089e-05 5.49710254e-03 -7.91415583e-03] [-4.05571224e-05 -5.49710253e-03 7.91415583e-03] [ 4.05571203e-05 5.49710253e-03 -7.91415583e-03] [-4.05571096e-05 -5.49710252e-03 7.91415583e-03] [-1.31526252e-05 -4.27986728e-02 -7.37763449e-03] [ 1.31526156e-05 4.27986728e-02 7.37763449e-03] [-1.31526152e-05 -4.27986728e-02 -7.37763449e-03] [ 1.31526273e-05 4.27986728e-02 7.37763449e-03]] Final stress: [-9.60438921e-04 2.13418401e-04 2.27083586e-04 -4.30006759e-03 -4.63801709e-04 -5.22795927e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.58653168e-02 2.79920697e-02 -6.98494684e-03] [ 2.58414210e-02 2.96776766e-02 -9.94608416e-03] [-2.58414210e-02 -2.96776766e-02 9.94608417e-03] [-2.58653168e-02 -2.79920697e-02 6.98494682e-03] [ 2.58653168e-02 2.79920697e-02 -6.98494684e-03] [ 2.58414210e-02 2.96776766e-02 -9.94608416e-03] [-2.58414210e-02 -2.96776767e-02 9.94608417e-03] [-2.58653168e-02 -2.79920697e-02 6.98494682e-03] [ 4.05573407e-05 5.49699414e-03 7.91414879e-03] [-4.05573503e-05 -5.49699414e-03 -7.91414878e-03] [ 4.05573410e-05 5.49699414e-03 7.91414879e-03] [-4.05573384e-05 -5.49699413e-03 -7.91414879e-03] [-1.31526832e-05 -4.27985748e-02 7.37763519e-03] [ 1.31526807e-05 4.27985748e-02 -7.37763518e-03] [-1.31526835e-05 -4.27985748e-02 7.37763518e-03] [ 1.31526914e-05 4.27985748e-02 -7.37763517e-03]] Final stress: [-9.60434129e-04 2.13416386e-04 2.27079964e-04 4.30006662e-03 4.63804183e-04 -5.22797592e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.58651220e-02 2.79921043e-02 -6.98514828e-03] [-2.58412265e-02 2.96776707e-02 -9.94627945e-03] [ 2.58412264e-02 -2.96776707e-02 9.94627945e-03] [ 2.58651220e-02 -2.79921043e-02 6.98514827e-03] [-2.58651220e-02 2.79921043e-02 -6.98514827e-03] [-2.58412264e-02 2.96776707e-02 -9.94627945e-03] [ 2.58412265e-02 -2.96776707e-02 9.94627944e-03] [ 2.58651220e-02 -2.79921043e-02 6.98514828e-03] [-4.05570238e-05 5.49714585e-03 7.91415864e-03] [ 4.05570146e-05 -5.49714584e-03 -7.91415864e-03] [-4.05570193e-05 5.49714585e-03 7.91415864e-03] [ 4.05570301e-05 -5.49714584e-03 -7.91415864e-03] [ 1.31525909e-05 -4.27987119e-02 7.37763422e-03] [-1.31526003e-05 4.27987119e-02 -7.37763422e-03] [ 1.31525944e-05 -4.27987119e-02 7.37763422e-03] [-1.31525864e-05 4.27987119e-02 -7.37763422e-03]] Final stress: [-9.60440836e-04 2.13419206e-04 2.27085035e-04 4.30006797e-03 -4.63800720e-04 5.22795230e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.01703934 -0.02848512 0.00076155] [ 0.01717289 -0.02439938 0.00407362] [-0.01717289 0.02439938 -0.00407362] [ 0.01703934 0.02848512 -0.00076155] [-0.01703934 -0.02848512 0.00076155] [ 0.01717289 -0.02439938 0.00407362] [-0.01717289 0.02439938 -0.00407362] [ 0.01703934 0.02848512 -0.00076155] [-0.00714657 -0.00677119 -0.00676319] [ 0.00714657 0.00677119 0.00676319] [-0.00714657 -0.00677119 -0.00676319] [ 0.00714657 0.00677119 0.00676319] [-0.00520884 -0.02978878 -0.00713544] [ 0.00520884 0.02978878 0.00713544] [-0.00520884 -0.02978878 -0.00713544] [ 0.00520884 0.02978878 0.00713544]] Final stress: [-4.68412526e-04 7.24381024e-06 -9.48587103e-05 -4.00120080e-03 -2.88244024e-06 -2.96523560e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.01703935 -0.02848512 0.00076158] [-0.0171729 -0.02439938 0.00407365] [ 0.0171729 0.02439938 -0.00407365] [-0.01703935 0.02848512 -0.00076158] [ 0.01703935 -0.02848512 0.00076158] [-0.0171729 -0.02439938 0.00407365] [ 0.0171729 0.02439938 -0.00407365] [-0.01703935 0.02848512 -0.00076158] [ 0.00714659 -0.00677121 -0.00676319] [-0.00714659 0.00677121 0.00676319] [ 0.00714659 -0.00677121 -0.00676319] [-0.00714659 0.00677121 0.00676319] [ 0.00520882 -0.02978876 -0.00713544] [-0.00520882 0.02978876 0.00713544] [ 0.00520882 -0.02978876 -0.00713544] [-0.00520882 0.02978876 0.00713544]] Final stress: [-4.68411547e-04 7.24339780e-06 -9.48594482e-05 -4.00120060e-03 2.88243956e-06 2.96523094e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.01717296 0.02439933 0.00407394] [ 0.01703941 0.02848513 0.00076186] [-0.01703941 -0.02848513 -0.00076186] [ 0.01717296 -0.02439933 -0.00407394] [-0.01717296 0.02439933 0.00407394] [ 0.01703941 0.02848513 0.00076186] [-0.01703941 -0.02848513 -0.00076186] [ 0.01717296 -0.02439933 -0.00407394] [-0.00714684 -0.00677143 0.00676318] [ 0.00714684 0.00677143 -0.00676318] [-0.00714684 -0.00677143 0.00676318] [ 0.00714684 0.00677143 -0.00676318] [-0.0052086 -0.02978856 0.00713544] [ 0.0052086 0.02978856 -0.00713544] [-0.0052086 -0.02978856 0.00713544] [ 0.0052086 0.02978856 -0.00713544]] Final stress: [-4.68401758e-04 7.23927272e-06 -9.48668268e-05 4.00119860e-03 2.88243234e-06 -2.96518430e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.01717293 0.02439935 0.0040738 ] [-0.01703938 0.02848513 0.00076172] [ 0.01703938 -0.02848513 -0.00076172] [-0.01717293 -0.02439935 -0.0040738 ] [ 0.01717293 0.02439935 0.0040738 ] [-0.01703938 0.02848513 0.00076172] [ 0.01703938 -0.02848513 -0.00076172] [-0.01717293 -0.02439935 -0.0040738 ] [ 0.00714672 -0.00677132 0.00676319] [-0.00714672 0.00677132 -0.00676319] [ 0.00714672 -0.00677132 0.00676319] [-0.00714672 0.00677132 -0.00676319] [ 0.00520871 -0.02978866 0.00713544] [-0.00520871 0.02978866 -0.00713544] [ 0.00520871 -0.02978866 0.00713544] [-0.00520871 0.02978866 -0.00713544]] Final stress: [-4.68406652e-04 7.24133519e-06 -9.48631376e-05 4.00119960e-03 -2.88243595e-06 2.96520762e-04] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 2.16008106e-10 -5.55375092e-01 -1.97181944e-02] [-4.30219263e-11 -6.77593979e-01 -1.94941871e-01] [ 1.42358102e-11 6.77593979e-01 1.94941870e-01] [-1.08939716e-10 5.55375092e-01 1.97181942e-02] [ 1.17429168e-10 -5.55375092e-01 -1.97181944e-02] [-6.46368076e-11 -6.77593979e-01 -1.94941870e-01] [ 4.95253428e-11 6.77593978e-01 1.94941870e-01] [-2.46086674e-10 5.55375092e-01 1.97181942e-02] [ 2.21109089e-10 -1.00366525e+00 -2.93568096e-01] [ 1.11420314e-10 1.00366525e+00 2.93568096e-01] [-1.27570333e-10 -1.00366524e+00 -2.93568096e-01] [ 1.22873139e-10 1.00366525e+00 2.93568096e-01] [ 1.43912385e-10 -7.20406216e-01 -3.76434349e-01] [-1.12217381e-10 7.20406216e-01 3.76434349e-01] [-1.67779773e-10 -7.20406216e-01 -3.76434349e-01] [-1.26267755e-10 7.20406216e-01 3.76434349e-01]] Final stress: [-1.43590391e-02 -9.78209784e-03 -1.92507396e-02 -1.11867726e-01 1.36259389e-12 9.47246105e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 4.44033534e-11 6.77595106e-01 -1.94921598e-01] [ 2.10959469e-10 5.55377943e-01 -1.96957582e-02] [-1.34423700e-10 -5.55377942e-01 1.96957578e-02] [-6.39275351e-12 -6.77595106e-01 1.94921598e-01] [ 3.48907762e-11 6.77595106e-01 -1.94921598e-01] [ 1.09969978e-10 5.55377943e-01 -1.96957581e-02] [-2.00646255e-10 -5.55377943e-01 1.96957583e-02] [-9.92585038e-11 -6.77595106e-01 1.94921598e-01] [ 1.80566842e-10 -1.00362633e+00 2.93569189e-01] [-7.76726513e-11 1.00362633e+00 -2.93569188e-01] [-1.28775656e-11 -1.00362633e+00 2.93569189e-01] [ 1.72003480e-10 1.00362633e+00 -2.93569189e-01] [ 6.36168028e-12 -7.20448727e-01 3.76435872e-01] [-1.39710649e-10 7.20448727e-01 -3.76435872e-01] [-1.55825803e-10 -7.20448727e-01 3.76435872e-01] [ 6.76521559e-11 7.20448727e-01 -3.76435872e-01]] Final stress: [-1.43595781e-02 -9.78169123e-03 -1.92506646e-02 1.11868054e-01 1.90705191e-12 -1.58890458e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.11605547e-12 -1.65949544e-02 3.86175130e-03] [-7.82967181e-12 -1.34609404e-02 5.83059219e-03] [-8.05450921e-12 1.34609404e-02 -5.83059219e-03] [-4.55671178e-12 1.65949544e-02 -3.86175131e-03] [ 5.30875680e-12 -1.65949544e-02 3.86175130e-03] [ 8.76914600e-12 -1.34609404e-02 5.83059220e-03] [ 8.59333893e-12 1.34609404e-02 -5.83059218e-03] [-4.31098538e-12 1.65949544e-02 -3.86175131e-03] [-9.47545861e-12 -3.82939008e-03 -3.77607487e-03] [-5.69162599e-12 3.82939006e-03 3.77607488e-03] [-4.39882440e-12 -3.82939007e-03 -3.77607487e-03] [-2.02383683e-12 3.82939008e-03 3.77607487e-03] [ 4.18303456e-12 -1.91853219e-02 -4.03364848e-03] [ 1.52068034e-12 1.91853219e-02 4.03364849e-03] [ 8.43606863e-12 -1.91853220e-02 -4.03364849e-03] [ 4.41191097e-12 1.91853220e-02 4.03364849e-03]] Final stress: [-2.34379442e-04 -5.55753505e-06 -1.05179615e-04 -2.26823225e-03 4.38932712e-14 2.31561425e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.34304826e-12 1.34610153e-02 5.83007667e-03] [-3.63595504e-12 1.65949299e-02 3.86124822e-03] [-3.50004823e-12 -1.65949299e-02 -3.86124822e-03] [-9.28420969e-12 -1.34610153e-02 -5.83007669e-03] [ 1.00105423e-11 1.34610153e-02 5.83007668e-03] [ 4.22796607e-12 1.65949299e-02 3.86124822e-03] [ 4.33906177e-12 -1.65949299e-02 -3.86124822e-03] [ 9.14459719e-12 -1.34610153e-02 -5.83007669e-03] [-9.80464299e-12 -3.82906125e-03 3.77609341e-03] [-9.86901533e-12 3.82906125e-03 -3.77609341e-03] [-2.53196596e-12 -3.82906125e-03 3.77609341e-03] [-3.26056326e-12 3.82906126e-03 -3.77609341e-03] [ 2.46024902e-12 -1.91856109e-02 4.03364582e-03] [ 3.05218291e-12 1.91856109e-02 -4.03364582e-03] [ 8.46560185e-12 -1.91856109e-02 4.03364582e-03] [ 8.53545907e-12 1.91856109e-02 -4.03364582e-03]] Final stress: [-2.34395231e-04 -5.55104226e-06 -1.05167304e-04 2.26823443e-03 3.15493325e-15 -4.93272834e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.13814654e-12 -6.12931319e-03 6.90908280e-05] [-3.59381318e-12 -1.30146960e-02 1.45840947e-03] [ 1.14582920e-12 1.30146960e-02 -1.45840947e-03] [-1.36850687e-12 6.12931319e-03 -6.90908266e-05] [ 1.47644548e-12 -6.12931319e-03 6.90908334e-05] [-9.22510332e-13 -1.30146960e-02 1.45840947e-03] [ 3.68876089e-12 1.30146960e-02 -1.45840947e-03] [ 2.21410021e-12 6.12931319e-03 -6.90908277e-05] [-1.89942983e-12 -6.73423421e-03 -2.15183616e-03] [-1.14453065e-12 6.73423422e-03 2.15183616e-03] [ 2.71785968e-12 -6.73423421e-03 -2.15183616e-03] [-3.12316535e-12 6.73423421e-03 2.15183616e-03] [-2.39966510e-12 -8.31989445e-03 -2.74729615e-03] [ 2.83505982e-12 8.31989445e-03 2.74729615e-03] [ 1.84070150e-12 -8.31989446e-03 -2.74729615e-03] [ 6.75699839e-13 8.31989446e-03 2.74729615e-03]] Final stress: [-1.21496384e-04 -1.27455912e-04 -1.57302555e-04 -1.44444023e-03 -2.42850195e-14 -2.42908602e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.08032485e-12 1.30149611e-02 1.45921222e-03] [-3.40828472e-12 6.12939439e-03 6.99215380e-05] [-5.26727869e-12 -6.12939439e-03 -6.99215386e-05] [-2.15153589e-12 -1.30149611e-02 -1.45921221e-03] [ 1.78174652e-12 1.30149611e-02 1.45921221e-03] [ 5.81079499e-12 6.12939439e-03 6.99215378e-05] [ 3.03479182e-12 -6.12939439e-03 -6.99215327e-05] [ 1.69890057e-12 -1.30149611e-02 -1.45921222e-03] [-2.65370798e-12 -6.73255834e-03 2.15192634e-03] [ 1.57841969e-12 6.73255833e-03 -2.15192635e-03] [ 2.74492289e-12 -6.73255834e-03 2.15192634e-03] [-5.83786621e-12 6.73255833e-03 -2.15192634e-03] [-2.45564680e-12 -8.32156290e-03 2.74730615e-03] [ 5.46222721e-12 8.32156291e-03 -2.74730615e-03] [ 2.14534426e-12 -8.32156290e-03 2.74730614e-03] [-1.40020582e-12 8.32156291e-03 -2.74730614e-03]] Final stress: [-1.21522186e-04 -1.27442122e-04 -1.57298907e-04 1.44446074e-03 1.28912131e-14 -2.17731287e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-7.78223590e-12 -1.80036629e-02 -2.19456147e-03] [-4.68225350e-12 -3.49849369e-03 -6.18083098e-04] [-7.78255661e-12 3.49849369e-03 6.18083111e-04] [-8.69538642e-12 1.80036629e-02 2.19456146e-03] [ 9.04795477e-12 -1.80036629e-02 -2.19456147e-03] [ 7.47194450e-12 -3.49849369e-03 -6.18083103e-04] [ 5.06256061e-12 3.49849369e-03 6.18083111e-04] [ 7.49377730e-12 1.80036629e-02 2.19456147e-03] [-4.24187660e-12 -1.71692203e-02 -2.58025974e-03] [-4.45250347e-12 1.71692203e-02 2.58025973e-03] [-1.18221611e-12 -1.71692203e-02 -2.58025974e-03] [ 6.43473729e-12 1.71692203e-02 2.58025974e-03] [ 1.11708039e-12 -1.55380942e-02 -2.95629665e-03] [-5.17379588e-12 1.55380942e-02 2.95629665e-03] [ 3.35536960e-12 -1.55380942e-02 -2.95629665e-03] [ 4.01638041e-12 1.55380942e-02 2.95629665e-03]] Final stress: [-8.01838157e-05 1.13989405e-05 -2.62834974e-05 -1.61229470e-03 1.77352432e-14 2.38821299e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-8.16549833e-12 3.49850251e-03 -6.17833735e-04] [-4.13437709e-12 1.80037049e-02 -2.19430424e-03] [-2.28867717e-12 -1.80037049e-02 2.19430425e-03] [-7.74100836e-12 -3.49850251e-03 6.17833728e-04] [ 7.69917810e-12 3.49850250e-03 -6.17833728e-04] [ 2.22799210e-12 1.80037049e-02 -2.19430424e-03] [ 4.11592939e-12 -1.80037049e-02 2.19430425e-03] [ 8.20045832e-12 -3.49850251e-03 6.17833727e-04] [-3.72081337e-12 -1.71687669e-02 2.58027695e-03] [-6.32287105e-12 1.71687669e-02 -2.58027695e-03] [ 4.71062425e-12 -1.71687669e-02 2.58027695e-03] [ 1.08287858e-12 1.71687669e-02 -2.58027695e-03] [-3.86652039e-12 -1.55385676e-02 2.95629471e-03] [-6.98883686e-13 1.55385676e-02 -2.95629471e-03] [ 3.47219273e-12 -1.55385676e-02 2.95629471e-03] [ 5.42968673e-12 1.55385676e-02 -2.95629471e-03]] Final stress: [-8.01896686e-05 1.14037477e-05 -2.62820859e-05 1.61229711e-03 -1.02750874e-14 -2.47600045e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.03193312e-11 -1.48365454e-02 -1.12454658e-02] [-5.54582964e-12 -2.24743645e-02 -8.39259970e-03] [-6.90493420e-12 2.24743645e-02 8.39259970e-03] [-9.87260013e-12 1.48365454e-02 1.12454658e-02] [ 9.73727999e-12 -1.48365454e-02 -1.12454658e-02] [ 6.91343944e-12 -2.24743645e-02 -8.39259970e-03] [ 5.53103407e-12 2.24743645e-02 8.39259970e-03] [ 1.02037638e-11 1.48365454e-02 1.12454658e-02] [-1.26884672e-11 -2.81769584e-02 -4.23052424e-03] [-9.09739818e-12 2.81769584e-02 4.23052424e-03] [ 1.04135714e-11 -2.81769584e-02 -4.23052423e-03] [ 1.07366325e-11 2.81769584e-02 4.23052424e-03] [-9.19786599e-12 -1.08214744e-02 -5.57342072e-03] [-9.20282516e-12 1.08214744e-02 5.57342072e-03] [ 1.11910166e-11 -1.08214745e-02 -5.57342072e-03] [ 8.10643176e-12 1.08214744e-02 5.57342073e-03]] Final stress: [-4.05895392e-04 -3.70161913e-04 -2.43540791e-04 -2.92416028e-03 3.87853396e-15 1.58607825e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.58913287e-12 2.24743067e-02 -8.39232999e-03] [-4.07623327e-12 1.48365608e-02 -1.12452048e-02] [-8.46564832e-12 -1.48365608e-02 1.12452048e-02] [-7.78841314e-12 -2.24743067e-02 8.39232999e-03] [ 7.84760928e-12 2.24743067e-02 -8.39233000e-03] [ 9.20715457e-12 1.48365608e-02 -1.12452048e-02] [ 4.11174111e-12 -1.48365608e-02 1.12452048e-02] [ 1.03122894e-11 -2.24743067e-02 8.39232999e-03] [-1.25625638e-11 -2.81772527e-02 4.23051002e-03] [-1.12444325e-11 2.81772527e-02 -4.23051002e-03] [ 1.02649523e-11 -2.81772527e-02 4.23051002e-03] [-3.02037171e-12 2.81772527e-02 -4.23051002e-03] [-9.16374832e-12 -1.08212040e-02 5.57342175e-03] [ 3.28253760e-12 1.08212040e-02 -5.57342175e-03] [ 1.08191282e-11 -1.08212040e-02 5.57342175e-03] [ 1.00695202e-11 1.08212040e-02 -5.57342175e-03]] Final stress: [-4.05884264e-04 -3.70166622e-04 -2.43548474e-04 2.92415823e-03 1.15733710e-14 -5.12338343e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.17076357e-13 -1.18338642e-02 -6.46839797e-04] [-1.06694688e-12 -4.28789160e-03 6.13741468e-04] [-4.44097645e-12 4.28789160e-03 -6.13741466e-04] [-9.75490522e-13 1.18338642e-02 6.46839799e-04] [ 1.15542927e-12 -1.18338642e-02 -6.46839786e-04] [ 4.30151271e-12 -4.28789160e-03 6.13741470e-04] [ 1.10789568e-12 4.28789160e-03 -6.13741473e-04] [ 1.12311419e-13 1.18338642e-02 6.46839795e-04] [ 2.30134336e-12 -9.36468213e-03 -1.73300012e-03] [-3.44446173e-12 9.36468213e-03 1.73300012e-03] [ 3.58188609e-12 -9.36468213e-03 -1.73300012e-03] [ 2.40474871e-12 9.36468212e-03 1.73300012e-03] [-3.24363756e-12 -1.11749255e-02 -2.34660231e-03] [-2.24889473e-12 1.11749255e-02 2.34660231e-03] [-2.26974549e-12 -1.11749255e-02 -2.34660231e-03] [ 2.93411343e-12 1.11749255e-02 2.34660231e-03]] Final stress: [-3.39911864e-05 2.23886117e-05 -6.29163996e-05 -1.21000310e-03 1.86087061e-14 -2.57465135e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.83346847e-13 4.28788212e-03 6.14877785e-04] [ 3.08905028e-12 1.18339126e-02 -6.45681191e-04] [-1.65099163e-13 -1.18339126e-02 6.45681188e-04] [ 6.17275328e-14 -4.28788212e-03 -6.14877781e-04] [-6.81863962e-13 4.28788212e-03 6.14877789e-04] [ 2.82303694e-13 1.18339126e-02 -6.45681185e-04] [-3.76482114e-12 -1.18339126e-02 6.45681186e-04] [ 7.81188482e-13 -4.28788212e-03 -6.14877785e-04] [-5.12598883e-12 -9.36331864e-03 1.73302807e-03] [ 3.43744304e-12 9.36331865e-03 -1.73302807e-03] [ 5.61014278e-12 -9.36331864e-03 1.73302806e-03] [ 4.76860001e-12 9.36331864e-03 -1.73302807e-03] [-5.25545666e-12 -1.11761765e-02 2.34658839e-03] [-4.16295408e-12 1.11761765e-02 -2.34658839e-03] [ 4.44992159e-12 -1.11761765e-02 2.34658839e-03] [-2.74363141e-12 1.11761765e-02 -2.34658839e-03]] Final stress: [-3.39989889e-05 2.23995737e-05 -6.29194788e-05 1.21000273e-03 1.15660295e-14 3.34150162e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.25972853e-12 -6.96266341e-02 6.10706203e-02] [-2.51266163e-11 -5.91372580e-02 6.52323774e-02] [-1.74810100e-11 5.91372580e-02 -6.52323774e-02] [ 8.30272309e-12 6.96266340e-02 -6.10706203e-02] [-6.86078158e-12 -6.96266341e-02 6.10706203e-02] [ 2.03495315e-11 -5.91372580e-02 6.52323774e-02] [ 2.64877381e-11 5.91372580e-02 -6.52323774e-02] [-2.63017060e-12 6.96266340e-02 -6.10706203e-02] [-2.23219629e-11 5.10234532e-02 -2.01934854e-02] [-8.62112725e-12 -5.10234532e-02 2.01934853e-02] [-1.35528908e-11 5.10234532e-02 -2.01934853e-02] [-1.45179190e-11 -5.10234532e-02 2.01934853e-02] [ 1.21056017e-11 -1.15778077e-01 -1.50639933e-02] [ 1.29408157e-11 1.15778077e-01 1.50639933e-02] [ 1.89114379e-11 -1.15778077e-01 -1.50639933e-02] [ 6.74900796e-12 1.15778077e-01 1.50639933e-02]] Final stress: [-1.31263246e-03 4.85872057e-04 -4.57245268e-04 -9.42950372e-03 -4.67164581e-14 4.90466058e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.55381339e-12 5.91372299e-02 6.52325383e-02] [-2.73648773e-11 6.96266374e-02 6.10707752e-02] [-2.92777357e-11 -6.96266375e-02 -6.10707753e-02] [ 2.39568348e-12 -5.91372299e-02 -6.52325383e-02] [-7.78799551e-13 5.91372299e-02 6.52325383e-02] [ 3.07611033e-11 6.96266375e-02 6.10707753e-02] [ 2.86049869e-11 -6.96266375e-02 -6.10707753e-02] [-7.42256083e-13 -5.91372299e-02 -6.52325383e-02] [-1.87615457e-11 5.10233446e-02 2.01934766e-02] [-1.16322646e-11 -5.10233446e-02 -2.01934766e-02] [-1.31674268e-11 5.10233446e-02 2.01934766e-02] [-7.58362644e-12 -5.10233446e-02 -2.01934766e-02] [ 1.19294995e-11 -1.15777980e-01 1.50639942e-02] [ 7.39715491e-12 1.15777980e-01 -1.50639942e-02] [ 1.57479574e-11 -1.15777980e-01 1.50639942e-02] [ 9.90661237e-12 1.15777980e-01 -1.50639942e-02]] Final stress: [-1.31262740e-03 4.85869969e-04 -4.57249172e-04 9.42950259e-03 9.70944194e-15 4.81139926e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.84675884e-02 -1.50973590e-02 -9.26115647e-03] [ 1.84761876e-02 -1.23664574e-02 -7.53415295e-03] [-1.84761876e-02 1.23664574e-02 7.53415295e-03] [-1.84675885e-02 1.50973590e-02 9.26115647e-03] [ 1.84675885e-02 -1.50973590e-02 -9.26115647e-03] [ 1.84761876e-02 -1.23664574e-02 -7.53415294e-03] [-1.84761876e-02 1.23664574e-02 7.53415295e-03] [-1.84675884e-02 1.50973590e-02 9.26115647e-03] [-1.45930758e-05 -1.11509566e-02 -3.52886212e-03] [ 1.45930641e-05 1.11509567e-02 3.52886212e-03] [-1.45930646e-05 -1.11509566e-02 -3.52886213e-03] [ 1.45930679e-05 1.11509567e-02 3.52886212e-03] [ 4.90730625e-06 -1.96320973e-02 -3.64817502e-03] [-4.90730998e-06 1.96320973e-02 3.64817501e-03] [ 4.90731635e-06 -1.96320973e-02 -3.64817501e-03] [-4.90730642e-06 1.96320973e-02 3.64817501e-03]] Final stress: [-4.29790634e-04 -2.83642351e-06 4.05980817e-05 -2.05677908e-03 3.30997391e-04 1.81589890e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.84674559e-02 -1.50972714e-02 -9.26178318e-03] [-1.84760550e-02 -1.23664312e-02 -7.53477513e-03] [ 1.84760549e-02 1.23664312e-02 7.53477513e-03] [ 1.84674559e-02 1.50972714e-02 9.26178319e-03] [-1.84674559e-02 -1.50972714e-02 -9.26178318e-03] [-1.84760549e-02 -1.23664312e-02 -7.53477513e-03] [ 1.84760550e-02 1.23664312e-02 7.53477513e-03] [ 1.84674559e-02 1.50972714e-02 9.26178318e-03] [ 1.45929116e-05 -1.11514257e-02 -3.52883553e-03] [-1.45929179e-05 1.11514257e-02 3.52883552e-03] [ 1.45929152e-05 -1.11514257e-02 -3.52883553e-03] [-1.45929199e-05 1.11514257e-02 3.52883553e-03] [-4.90726504e-06 -1.96315503e-02 -3.64816915e-03] [ 4.90726940e-06 1.96315503e-02 3.64816915e-03] [-4.90726232e-06 -1.96315503e-02 -3.64816915e-03] [ 4.90726793e-06 1.96315503e-02 3.64816915e-03]] Final stress: [-4.29789410e-04 -2.83925057e-06 4.06030511e-05 -2.05677188e-03 -3.30995029e-04 -1.81588755e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.84759437e-02 1.23665401e-02 -7.53438855e-03] [ 1.84673446e-02 1.50973676e-02 -9.26138087e-03] [-1.84673446e-02 -1.50973676e-02 9.26138088e-03] [-1.84759437e-02 -1.23665401e-02 7.53438856e-03] [ 1.84759437e-02 1.23665401e-02 -7.53438855e-03] [ 1.84673446e-02 1.50973676e-02 -9.26138087e-03] [-1.84673446e-02 -1.50973676e-02 9.26138088e-03] [-1.84759437e-02 -1.23665401e-02 7.53438855e-03] [ 1.45928972e-05 -1.11503896e-02 3.52888828e-03] [-1.45929007e-05 1.11503896e-02 -3.52888828e-03] [ 1.45929031e-05 -1.11503896e-02 3.52888827e-03] [-1.45928970e-05 1.11503896e-02 -3.52888828e-03] [-4.90726434e-06 -1.96326605e-02 3.64817596e-03] [ 4.90725894e-06 1.96326605e-02 -3.64817597e-03] [-4.90725886e-06 -1.96326605e-02 3.64817596e-03] [ 4.90726190e-06 1.96326605e-02 -3.64817597e-03]] Final stress: [-4.29807647e-04 -2.82831455e-06 4.06084972e-05 2.05678414e-03 3.30993053e-04 -1.81588642e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.84759574e-02 1.23664472e-02 -7.53498776e-03] [-1.84673584e-02 1.50972527e-02 -9.26199389e-03] [ 1.84673584e-02 -1.50972527e-02 9.26199389e-03] [ 1.84759574e-02 -1.23664472e-02 7.53498777e-03] [-1.84759574e-02 1.23664472e-02 -7.53498777e-03] [-1.84673584e-02 1.50972527e-02 -9.26199389e-03] [ 1.84673584e-02 -1.50972527e-02 9.26199390e-03] [ 1.84759574e-02 -1.23664472e-02 7.53498777e-03] [-1.45928304e-05 -1.11513854e-02 3.52883620e-03] [ 1.45928242e-05 1.11513854e-02 -3.52883621e-03] [-1.45928242e-05 -1.11513854e-02 3.52883620e-03] [ 1.45928307e-05 1.11513854e-02 -3.52883621e-03] [ 4.90723455e-06 -1.96315709e-02 3.64816800e-03] [-4.90724055e-06 1.96315709e-02 -3.64816800e-03] [ 4.90724058e-06 -1.96315709e-02 3.64816799e-03] [-4.90723474e-06 1.96315709e-02 -3.64816800e-03]] Final stress: [-4.29793700e-04 -2.83774372e-06 4.06070484e-05 2.05677152e-03 -3.30993294e-04 1.81588020e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.00545804 -0.00980215 -0.00181759] [ 0.00547335 -0.00747186 -0.00051361] [-0.00547335 0.00747186 0.00051361] [ 0.00545804 0.00980215 0.00181759] [-0.00545804 -0.00980215 -0.00181759] [ 0.00547335 -0.00747186 -0.00051361] [-0.00547335 0.00747186 0.00051361] [ 0.00545804 0.00980215 0.00181759] [-0.00383906 -0.00871172 -0.00189642] [ 0.00383906 0.00871172 0.00189642] [-0.00383906 -0.00871172 -0.00189642] [ 0.00383906 0.00871172 0.00189642] [-0.00025544 -0.01074976 -0.00249879] [ 0.00025544 0.01074976 0.00249879] [-0.00025544 -0.01074976 -0.00249879] [ 0.00025544 0.01074976 0.00249879]] Final stress: [-9.92983341e-05 -3.34101416e-05 -4.64103048e-05 -1.29899560e-03 -2.73621899e-07 -6.88822025e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.00545799 -0.00980208 -0.00181795] [-0.0054733 -0.00747182 -0.00051396] [ 0.0054733 0.00747182 0.00051396] [-0.00545799 0.00980208 0.00181795] [ 0.00545799 -0.00980208 -0.00181795] [-0.0054733 -0.00747182 -0.00051396] [ 0.0054733 0.00747182 0.00051396] [-0.00545799 0.00980208 0.00181795] [ 0.00383918 -0.00871225 -0.00189639] [-0.00383918 0.00871225 0.00189639] [ 0.00383918 -0.00871225 -0.00189639] [-0.00383918 0.00871225 0.00189639] [ 0.00025531 -0.01074917 -0.00249878] [-0.00025531 0.01074917 0.00249878] [ 0.00025531 -0.01074917 -0.00249878] [-0.00025531 0.01074917 0.00249878]] Final stress: [-9.92914314e-05 -3.34150439e-05 -4.64105605e-05 -1.29898898e-03 2.73617149e-07 6.88792833e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.00547327 0.0074718 -0.00051414] [ 0.00545796 0.00980205 -0.00181813] [-0.00545796 -0.00980205 0.00181813] [ 0.00547327 -0.0074718 0.00051414] [-0.00547327 0.0074718 -0.00051414] [ 0.00545796 0.00980205 -0.00181813] [-0.00545796 -0.00980205 0.00181813] [ 0.00547327 -0.0074718 0.00051414] [-0.00383923 -0.00871249 0.00189638] [ 0.00383923 0.00871249 -0.00189638] [-0.00383923 -0.00871249 0.00189638] [ 0.00383923 0.00871249 -0.00189638] [-0.00025525 -0.01074891 0.00249878] [ 0.00025525 0.01074891 -0.00249878] [-0.00025525 -0.01074891 0.00249878] [ 0.00025525 0.01074891 -0.00249878]] Final stress: [-9.92887299e-05 -3.34171110e-05 -4.64102924e-05 1.29898596e-03 2.73614975e-07 -6.88780764e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.00547326 0.0074718 -0.00051421] [-0.00545795 0.00980204 -0.0018182 ] [ 0.00545795 -0.00980204 0.0018182 ] [-0.00547326 -0.0074718 0.00051421] [ 0.00547326 0.0074718 -0.00051421] [-0.00545795 0.00980204 -0.0018182 ] [ 0.00545795 -0.00980204 0.0018182 ] [-0.00547326 -0.0074718 0.00051421] [ 0.00383923 -0.00871252 0.00189638] [-0.00383923 0.00871252 -0.00189638] [ 0.00383923 -0.00871252 0.00189638] [-0.00383923 0.00871252 -0.00189638] [ 0.00025525 -0.01074887 0.00249878] [-0.00025525 0.01074887 -0.00249878] [ 0.00025525 -0.01074887 0.00249878] [-0.00025525 0.01074887 -0.00249878]] Final stress: [-9.92890622e-05 -3.34171776e-05 -4.64095290e-05 1.29898541e-03 -2.73614646e-07 6.88780857e-05] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. 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 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.96454390e-11 4.16353839e-03 -4.39561866e-03] [-2.31446190e-11 -2.55262111e-02 5.23722045e-03] [-4.28807001e-12 2.55262111e-02 -5.23722047e-03] [ 4.37968732e-11 -4.16353839e-03 4.39561865e-03] [-4.67990939e-11 4.16353839e-03 -4.39561868e-03] [ 6.10674575e-12 -2.55262111e-02 5.23722040e-03] [ 2.03526633e-11 2.55262111e-02 -5.23722043e-03] [ 3.12646966e-11 -4.16353838e-03 4.39561872e-03] [-3.65850709e-12 -1.30267435e-02 9.53388455e-03] [ 3.36857851e-11 1.30267435e-02 -9.53388454e-03] [ 5.43081400e-12 -1.30267435e-02 9.53388455e-03] [-1.52091083e-11 1.30267435e-02 -9.53388455e-03] [-6.18504206e-12 -1.08403714e-02 -1.35346118e-02] [ 1.55938927e-11 1.08403714e-02 1.35346118e-02] [ 1.10546403e-12 -1.08403713e-02 -1.35346118e-02] [-2.84001554e-11 1.08403713e-02 1.35346118e-02]] Final stress: [-4.89151666e-04 -5.97239139e-04 -5.37298660e-04 -3.37804639e-03 -4.11316046e-13 9.95688245e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.73586134e-12 2.55261870e-02 5.23644750e-03] [-5.15673658e-12 -4.16361408e-03 -4.39639892e-03] [ 3.22900788e-12 4.16361409e-03 4.39639892e-03] [ 3.79519723e-11 -2.55261870e-02 -5.23644749e-03] [-3.80618080e-11 2.55261870e-02 5.23644751e-03] [-2.15138280e-12 -4.16361409e-03 -4.39639898e-03] [ 5.20281875e-12 4.16361409e-03 4.39639890e-03] [ 3.81106214e-12 -2.55261870e-02 -5.23644743e-03] [-1.46745732e-11 -1.30276538e-02 -9.53390891e-03] [ 1.47315927e-12 1.30276538e-02 9.53390891e-03] [-4.71349197e-13 -1.30276538e-02 -9.53390891e-03] [ 4.10697604e-12 1.30276538e-02 9.53390891e-03] [-1.40298320e-12 -1.08393631e-02 1.35346066e-02] [-3.23777466e-12 1.08393631e-02 -1.35346066e-02] [ 1.20408201e-11 -1.08393631e-02 1.35346066e-02] [ 8.02854690e-14 1.08393631e-02 -1.35346066e-02]] Final stress: [-4.89142642e-04 -5.97246668e-04 -5.37296238e-04 3.37804015e-03 -2.18654516e-13 9.87684650e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.75208030e-10 -5.18190657e-01 -2.58495517e-02] [-1.82773911e-10 -5.73269608e-01 -1.59632407e-01] [ 1.92600968e-10 5.73269609e-01 1.59632408e-01] [-3.63212369e-10 5.18190657e-01 2.58495520e-02] [ 3.50687848e-10 -5.18190657e-01 -2.58495512e-02] [-2.00330198e-10 -5.73269609e-01 -1.59632408e-01] [ 1.56166757e-10 5.73269609e-01 1.59632407e-01] [ 3.80854694e-10 5.18190657e-01 2.58495521e-02] [ 2.88823379e-11 -8.77381749e-01 -2.50820648e-01] [ 3.17324778e-10 8.77381749e-01 2.50820647e-01] [ 1.10307207e-10 -8.77381749e-01 -2.50820648e-01] [ 2.28926352e-10 8.77381749e-01 2.50820648e-01] [-9.86570400e-11 -6.45394267e-01 -3.08208051e-01] [-2.22556828e-10 6.45394267e-01 3.08208050e-01] [-2.50542998e-11 -6.45394267e-01 -3.08208051e-01] [-2.97966798e-10 6.45394267e-01 3.08208051e-01]] Final stress: [-1.32908994e-02 -8.29820952e-03 -1.59061025e-02 -9.60605339e-02 -1.64656651e-12 1.52118050e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[ 1.92078584e-10 5.73265305e-01 -1.59577546e-01] [-1.14265530e-10 5.18195070e-01 -2.57944823e-02] [-1.54750363e-10 -5.18195070e-01 2.57944822e-02] [-3.15616604e-11 -5.73265306e-01 1.59577546e-01] [ 6.80755929e-12 5.73265306e-01 -1.59577546e-01] [ 2.01437645e-10 5.18195070e-01 -2.57944821e-02] [ 9.89939829e-11 -5.18195070e-01 2.57944827e-02] [-1.13430667e-10 -5.73265306e-01 1.59577546e-01] [-7.31413801e-12 -8.77376151e-01 2.50820677e-01] [ 2.77587172e-10 8.77376151e-01 -2.50820677e-01] [ 2.11317102e-10 -8.77376151e-01 2.50820677e-01] [-3.31343433e-10 8.77376151e-01 -2.50820678e-01] [-1.89103210e-10 -6.45403832e-01 3.08209215e-01] [ 2.51161821e-10 6.45403832e-01 -3.08209215e-01] [-1.33136927e-11 -6.45403832e-01 3.08209215e-01] [-2.84299111e-10 6.45403832e-01 -3.08209215e-01]] Final stress: [-1.32901202e-02 -8.29839412e-03 -1.59069662e-02 9.60605849e-02 9.69915573e-13 -6.57713815e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.38494669e-11 5.40127635e-03 -7.51188705e-03] [ 4.55543645e-11 -4.58320676e-02 8.57847386e-03] [ 2.47437821e-11 4.58320676e-02 -8.57847381e-03] [ 4.42725535e-11 -5.40127634e-03 7.51188697e-03] [-4.52743713e-11 5.40127634e-03 -7.51188701e-03] [-2.37674433e-11 -4.58320676e-02 8.57847383e-03] [-4.65866909e-11 4.58320676e-02 -8.57847383e-03] [-2.26071338e-11 -5.40127634e-03 7.51188701e-03] [ 1.13554882e-11 -2.59511438e-02 1.57915911e-02] [ 4.12985618e-11 2.59511438e-02 -1.57915911e-02] [-2.81079764e-11 -2.59511438e-02 1.57915911e-02] [-2.49557697e-11 2.59511438e-02 -1.57915911e-02] [ 2.26003652e-11 -2.06077224e-02 -2.41783583e-02] [ 2.27560537e-11 2.06077224e-02 2.41783583e-02] [-1.07042689e-11 -2.06077224e-02 -2.41783583e-02] [-3.44359131e-11 2.06077224e-02 2.41783583e-02]] Final stress: [-1.05886124e-03 -1.07707157e-03 -1.02409854e-03 -6.16578183e-03 7.12487108e-16 1.56346815e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.96021112e-11 4.58321057e-02 8.57886603e-03] [ 4.93881982e-11 -5.40125000e-03 -7.51148841e-03] [ 2.36252979e-11 5.40124999e-03 7.51148836e-03] [ 2.77676692e-11 -4.58321057e-02 -8.57886597e-03] [-2.74358700e-11 4.58321057e-02 8.57886599e-03] [-2.25105425e-11 -5.40124999e-03 -7.51148838e-03] [-4.92515667e-11 5.40125000e-03 7.51148839e-03] [-3.80577891e-11 -4.58321057e-02 -8.57886602e-03] [ 9.26927610e-12 -2.59506551e-02 -1.57915753e-02] [ 1.53208904e-11 2.59506550e-02 1.57915753e-02] [-2.30305232e-11 -2.59506551e-02 -1.57915753e-02] [-3.07086943e-11 2.59506551e-02 1.57915753e-02] [ 1.88238496e-11 -2.06082359e-02 2.41783623e-02] [ 2.69609841e-11 2.06082359e-02 -2.41783623e-02] [-7.65185818e-12 -2.06082359e-02 2.41783623e-02] [-1.21085726e-11 2.06082359e-02 -2.41783623e-02]] Final stress: [-1.05886629e-03 -1.07706799e-03 -1.02409992e-03 6.16578589e-03 1.67190641e-13 -5.63687818e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.77258600e-11 -2.78470606e-02 -9.94036308e-03] [ 4.04688054e-11 -3.06772867e-02 3.69312851e-03] [ 1.11896426e-11 3.06772867e-02 -3.69312853e-03] [ 1.88256572e-11 2.78470606e-02 9.94036311e-03] [-1.76304240e-11 -2.78470606e-02 -9.94036311e-03] [-1.17465174e-11 -3.06772867e-02 3.69312854e-03] [-3.92213251e-11 3.06772867e-02 -3.69312850e-03] [-1.80340181e-11 2.78470606e-02 9.94036308e-03] [ 1.81862600e-11 -4.90523455e-02 7.18943981e-03] [ 8.56279891e-12 4.90523455e-02 -7.18943981e-03] [-2.27600369e-11 -4.90523455e-02 7.18943981e-03] [-8.86428127e-12 4.90523455e-02 -7.18943981e-03] [ 1.88513064e-11 -4.28392375e-02 -2.15436188e-02] [ 7.77264489e-12 4.28392375e-02 2.15436188e-02] [-1.68255143e-11 -4.28392375e-02 -2.15436188e-02] [-6.50402890e-12 4.28392375e-02 2.15436188e-02]] Final stress: [-1.05455860e-03 -6.27575239e-04 -7.19898396e-04 -6.72025847e-03 1.24410776e-13 3.72514842e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.02411954e-11 3.06825329e-02 3.68236981e-03] [ 3.28406336e-11 2.78795255e-02 -9.95273489e-03] [ 1.12773478e-11 -2.78795255e-02 9.95273483e-03] [ 2.11528564e-11 -3.06825329e-02 -3.68236975e-03] [-2.14492908e-11 3.06825329e-02 3.68236977e-03] [-1.26142222e-11 2.78795255e-02 -9.95273485e-03] [-3.30598667e-11 -2.78795255e-02 9.95273487e-03] [-3.14907308e-11 -3.06825329e-02 -3.68236979e-03] [ 2.93995770e-11 -4.91062442e-02 -7.18368130e-03] [ 2.50102968e-11 4.91062442e-02 7.18368131e-03] [-2.27386500e-11 -4.91062442e-02 -7.18368129e-03] [-1.50561356e-11 4.91062442e-02 7.18368131e-03] [ 2.00485587e-11 -4.28705596e-02 2.15493828e-02] [ 1.31467260e-11 4.28705596e-02 -2.15493829e-02] [-2.52255335e-11 -4.28705596e-02 2.15493829e-02] [-2.14780713e-11 4.28705596e-02 -2.15493829e-02]] Final stress: [-1.05522864e-03 -6.27745015e-04 -7.20181736e-04 6.72321766e-03 1.35855494e-13 3.78828967e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.55168635e-11 3.86669614e-03 -7.42019520e-03] [ 5.58442789e-12 -4.05964892e-02 7.02213207e-03] [ 1.63831009e-11 4.05964892e-02 -7.02213215e-03] [ 2.06409508e-11 -3.86669615e-03 7.42019526e-03] [-2.06747033e-11 3.86669615e-03 -7.42019520e-03] [-1.77164065e-11 -4.05964892e-02 7.02213221e-03] [-5.00007165e-12 4.05964892e-02 -7.02213213e-03] [-2.64315239e-11 -3.86669614e-03 7.42019513e-03] [ 3.07628528e-11 -2.42070654e-02 1.38388752e-02] [ 1.51660082e-11 2.42070654e-02 -1.38388752e-02] [-8.70873144e-12 -2.42070654e-02 1.38388752e-02] [-1.45770618e-11 2.42070654e-02 -1.38388752e-02] [ 7.46901803e-12 -1.87916530e-02 -2.14284811e-02] [ 1.22741439e-11 1.87916530e-02 2.14284811e-02] [-2.64380211e-11 -1.87916531e-02 -2.14284811e-02] [-1.42587395e-11 1.87916530e-02 2.14284811e-02]] Final stress: [-9.32618011e-04 -9.63765577e-04 -8.68251546e-04 -5.51549421e-03 -2.81249120e-14 -1.00262278e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 2.27898720e-11 4.06765179e-02 6.98711002e-03] [ 1.22793783e-11 -3.80347674e-03 -7.45947427e-03] [ 1.94550962e-11 3.80347674e-03 7.45947422e-03] [ 2.76772511e-11 -4.06765179e-02 -6.98710995e-03] [-2.82468762e-11 4.06765179e-02 6.98711002e-03] [-2.12546061e-11 -3.80347674e-03 -7.45947424e-03] [-1.29789830e-11 3.80347674e-03 7.45947421e-03] [-2.42188884e-11 -4.06765179e-02 -6.98710998e-03] [ 2.38589736e-11 -2.43808435e-02 -1.38180511e-02] [ 2.66559387e-11 2.43808435e-02 1.38180511e-02] [-1.38620801e-11 -2.43808434e-02 -1.38180511e-02] [-1.54588885e-11 2.43808435e-02 1.38180511e-02] [ 1.28106471e-11 -1.88719659e-02 2.14502901e-02] [ 1.33331953e-11 1.88719659e-02 -2.14502901e-02] [-1.92446659e-11 -1.88719659e-02 2.14502901e-02] [-2.36015928e-11 1.88719659e-02 -2.14502901e-02]] Final stress: [-9.35702254e-04 -9.65951548e-04 -8.70490055e-04 5.52678507e-03 -5.47165445e-14 3.17885537e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.45585395e-11 -4.21064238e-02 -1.19122905e-02] [ 2.44675389e-11 -4.73484111e-02 5.37480107e-03] [ 6.36934364e-12 4.73484111e-02 -5.37480091e-03] [ 2.15869987e-11 4.21064238e-02 1.19122903e-02] [-2.03590810e-11 -4.21064238e-02 -1.19122903e-02] [-7.53542801e-12 -4.73484111e-02 5.37480094e-03] [-2.27829994e-11 4.73484111e-02 -5.37480107e-03] [-1.51198585e-11 4.21064238e-02 1.19122904e-02] [ 1.81119527e-11 -7.21016440e-02 6.89985999e-03] [ 3.07879069e-12 7.21016440e-02 -6.89985999e-03] [-2.07859816e-11 -7.21016440e-02 6.89985998e-03] [-8.14407613e-12 7.21016440e-02 -6.89985998e-03] [ 1.75212457e-11 -6.56212244e-02 -3.04003774e-02] [ 7.35479215e-12 6.56212244e-02 3.04003774e-02] [-1.64256348e-11 -6.56212244e-02 -3.04003773e-02] [-1.89425957e-12 6.56212244e-02 3.04003774e-02]] Final stress: [-1.66546748e-03 -9.21475804e-04 -1.15670390e-03 -9.80461820e-03 4.62672090e-14 6.20510885e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.16725379e-11 4.73484540e-02 5.37881231e-03] [-2.60992011e-11 4.21068735e-02 -1.19082268e-02] [ 4.84023172e-11 -4.21068734e-02 1.19082268e-02] [ 3.00273513e-11 -4.73484540e-02 -5.37881231e-03] [-3.05463347e-11 4.73484540e-02 5.37881234e-03] [-4.82746521e-11 4.21068734e-02 -1.19082268e-02] [ 2.54336854e-11 -4.21068735e-02 1.19082267e-02] [-3.15460696e-11 -4.73484540e-02 -5.37881225e-03] [ 1.52249812e-11 -7.20968060e-02 -6.89974236e-03] [ 1.91001754e-11 7.20968059e-02 6.89974237e-03] [-8.71205148e-12 -7.20968060e-02 -6.89974236e-03] [-2.12392976e-11 7.20968059e-02 6.89974235e-03] [ 9.41635832e-12 -6.56264603e-02 3.04004208e-02] [ 1.64922880e-11 6.56264603e-02 -3.04004208e-02] [-1.03184421e-11 -6.56264602e-02 3.04004208e-02] [-1.90452414e-11 6.56264603e-02 -3.04004208e-02]] Final stress: [-1.66551202e-03 -9.21433139e-04 -1.15671339e-03 9.80464993e-03 -3.25519645e-13 -6.76652371e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.26492066e-13 -1.61805668e-02 2.03926222e-03] [-5.53154137e-12 -1.27770114e-02 4.05086199e-03] [-5.32789091e-12 1.27770114e-02 -4.05086199e-03] [-4.54525480e-12 1.61805668e-02 -2.03926222e-03] [ 4.54948741e-12 -1.61805668e-02 2.03926221e-03] [ 5.18813855e-12 -1.27770114e-02 4.05086200e-03] [ 5.52992201e-12 1.27770114e-02 -4.05086198e-03] [ 2.78848342e-13 1.61805668e-02 -2.03926222e-03] [-1.91080745e-12 -7.83702924e-03 -3.44994794e-03] [-8.68920387e-13 7.83702926e-03 3.44994794e-03] [ 5.02659763e-13 -7.83702925e-03 -3.44994794e-03] [ 1.86926559e-12 7.83702926e-03 3.44994794e-03] [-1.54066430e-13 -1.81046844e-02 -4.03095208e-03] [-1.53747251e-12 1.81046844e-02 4.03095208e-03] [ 1.84072335e-12 -1.81046844e-02 -4.03095208e-03] [ 5.41559880e-13 1.81046844e-02 4.03095207e-03]] Final stress: [-1.90892909e-04 -3.12274129e-05 -1.10630701e-04 -2.18467896e-03 1.73993080e-14 8.35365205e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.54594868e-13 1.27769803e-02 4.05108671e-03] [-2.05039284e-12 1.61805791e-02 2.03948229e-03] [-6.92468001e-12 -1.61805791e-02 -2.03948228e-03] [-8.93493612e-13 -1.27769803e-02 -4.05108671e-03] [ 1.15280214e-12 1.27769803e-02 4.05108671e-03] [ 7.13918898e-12 1.61805791e-02 2.03948229e-03] [ 2.36161535e-12 -1.61805791e-02 -2.03948228e-03] [ 8.50296396e-13 -1.27769803e-02 -4.05108671e-03] [-3.63763165e-12 -7.83717118e-03 3.44994102e-03] [-5.55570867e-12 7.83717119e-03 -3.44994102e-03] [ 5.60603647e-13 -7.83717118e-03 3.44994102e-03] [-5.17114997e-13 7.83717118e-03 -3.44994102e-03] [-5.59712433e-13 -1.81045598e-02 4.03095307e-03] [ 6.63027386e-13 1.81045598e-02 -4.03095307e-03] [ 3.04768355e-12 -1.81045598e-02 4.03095307e-03] [ 5.01972644e-12 1.81045598e-02 -4.03095308e-03]] Final stress: [-1.90886051e-04 -3.12302272e-05 -1.10636056e-04 2.18467814e-03 2.27337046e-14 -1.06637362e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.73081321e-02 -2.16675999e-02 6.30088902e-04] [-3.73475784e-02 -4.41333098e-02 1.44776703e-02] [ 3.73475784e-02 4.41333098e-02 -1.44776704e-02] [ 3.73081321e-02 2.16675999e-02 -6.30088853e-04] [-3.73081321e-02 -2.16675999e-02 6.30088891e-04] [-3.73475784e-02 -4.41333098e-02 1.44776704e-02] [ 3.73475784e-02 4.41333098e-02 -1.44776704e-02] [ 3.73081321e-02 2.16675999e-02 -6.30088869e-04] [ 1.12683545e-04 -5.88066645e-02 6.79128583e-03] [-1.12683503e-04 5.88066646e-02 -6.79128583e-03] [ 1.12683537e-04 -5.88066645e-02 6.79128583e-03] [-1.12683555e-04 5.88066646e-02 -6.79128583e-03] [-3.32786168e-05 -4.02641606e-02 -2.34505088e-02] [ 3.32786330e-05 4.02641606e-02 2.34505088e-02] [-3.32786229e-05 -4.02641606e-02 -2.34505088e-02] [ 3.32785867e-05 4.02641606e-02 2.34505088e-02]] Final stress: [-1.09924245e-03 -1.11235533e-03 -1.30959882e-03 -7.40831720e-03 -6.62823736e-04 -1.16084061e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.73080627e-02 -2.16676211e-02 6.30336155e-04] [ 3.73475089e-02 -4.41332911e-02 1.44779189e-02] [-3.73475089e-02 4.41332911e-02 -1.44779189e-02] [-3.73080627e-02 2.16676211e-02 -6.30336132e-04] [ 3.73080627e-02 -2.16676211e-02 6.30336129e-04] [ 3.73475089e-02 -4.41332911e-02 1.44779188e-02] [-3.73475089e-02 4.41332911e-02 -1.44779189e-02] [-3.73080627e-02 2.16676211e-02 -6.30336094e-04] [-1.12683321e-04 -5.88066998e-02 6.79128604e-03] [ 1.12683361e-04 5.88066998e-02 -6.79128604e-03] [-1.12683333e-04 -5.88066998e-02 6.79128604e-03] [ 1.12683315e-04 5.88066998e-02 -6.79128603e-03] [ 3.32785545e-05 -4.02641479e-02 -2.34505099e-02] [-3.32785395e-05 4.02641478e-02 2.34505099e-02] [ 3.32785441e-05 -4.02641478e-02 -2.34505099e-02] [-3.32785796e-05 4.02641478e-02 2.34505099e-02]] Final stress: [-1.09923768e-03 -1.11235695e-03 -1.30960337e-03 -7.40831749e-03 6.62822502e-04 1.16083810e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-3.73478801e-02 4.41333071e-02 1.44754685e-02] [-3.73084337e-02 2.16673743e-02 6.27868543e-04] [ 3.73084338e-02 -2.16673743e-02 -6.27868645e-04] [ 3.73478801e-02 -4.41333071e-02 -1.44754684e-02] [-3.73478801e-02 4.41333071e-02 1.44754685e-02] [-3.73084338e-02 2.16673743e-02 6.27868657e-04] [ 3.73084337e-02 -2.16673743e-02 -6.27868637e-04] [ 3.73478801e-02 -4.41333071e-02 -1.44754685e-02] [-1.12684151e-04 -5.88082506e-02 -6.79133973e-03] [ 1.12684185e-04 5.88082506e-02 6.79133973e-03] [-1.12684174e-04 -5.88082506e-02 -6.79133974e-03] [ 1.12684145e-04 5.88082506e-02 6.79133973e-03] [ 3.32788090e-05 -4.02623183e-02 2.34504895e-02] [-3.32787839e-05 4.02623183e-02 -2.34504895e-02] [ 3.32787878e-05 -4.02623183e-02 2.34504895e-02] [-3.32788191e-05 4.02623183e-02 -2.34504895e-02]] Final stress: [-1.09924037e-03 -1.11236446e-03 -1.30958019e-03 7.40830236e-03 -6.62829082e-04 1.16084979e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.73476243e-02 4.41336774e-02 1.44822812e-02] [ 3.73081769e-02 2.16681528e-02 6.34801721e-04] [-3.73081769e-02 -2.16681528e-02 -6.34801728e-04] [-3.73476243e-02 -4.41336774e-02 -1.44822812e-02] [ 3.73476243e-02 4.41336774e-02 1.44822812e-02] [ 3.73081769e-02 2.16681527e-02 6.34801705e-04] [-3.73081769e-02 -2.16681528e-02 -6.34801728e-04] [-3.73476243e-02 -4.41336774e-02 -1.44822812e-02] [ 1.12684607e-04 -5.87992427e-02 -6.79105275e-03] [-1.12684564e-04 5.87992427e-02 6.79105275e-03] [ 1.12684542e-04 -5.87992427e-02 -6.79105275e-03] [-1.12684605e-04 5.87992427e-02 6.79105274e-03] [-3.32788950e-05 -4.02722391e-02 2.34505698e-02] [ 3.32789484e-05 4.02722391e-02 -2.34505698e-02] [-3.32789519e-05 -4.02722391e-02 2.34505698e-02] [ 3.32789135e-05 4.02722390e-02 -2.34505698e-02]] Final stress: [-1.09934243e-03 -1.11228558e-03 -1.30959100e-03 7.40837457e-03 6.62824614e-04 -1.16084578e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 0.03001099 -0.01232498 -0.00512102] [-0.02976443 -0.04397431 0.00990031] [ 0.02976443 0.04397431 -0.00990031] [-0.03001099 0.01232498 0.00512102] [ 0.03001099 -0.01232498 -0.00512102] [-0.02976443 -0.04397431 0.00990031] [ 0.02976443 0.04397431 -0.00990031] [-0.03001099 0.01232498 0.00512102] [ 0.00335923 -0.04238408 0.01057301] [-0.00335923 0.04238408 -0.01057301] [ 0.00335923 -0.04238408 0.01057301] [-0.00335923 0.04238408 -0.01057301] [-0.01244859 -0.03354488 -0.02399854] [ 0.01244859 0.03354488 0.02399854] [-0.01244859 -0.03354488 -0.02399854] [ 0.01244859 0.03354488 0.02399854]] Final stress: [-1.04417016e-03 -9.99941375e-04 -1.06663102e-03 -6.99425866e-03 -4.17042050e-06 -7.25224027e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-0.03001073 -0.01232527 -0.00511812] [ 0.02976417 -0.04397429 0.00990319] [-0.02976417 0.04397429 -0.00990319] [ 0.03001073 0.01232527 0.00511812] [-0.03001073 -0.01232527 -0.00511812] [ 0.02976417 -0.04397429 0.00990319] [-0.02976417 0.04397429 -0.00990319] [ 0.03001073 0.01232527 0.00511812] [-0.00335926 -0.04238224 0.01057295] [ 0.00335926 0.04238224 -0.01057295] [-0.00335926 -0.04238224 0.01057295] [ 0.00335926 0.04238224 -0.01057295] [ 0.0124487 -0.03354705 -0.02399857] [-0.0124487 0.03354705 0.02399857] [ 0.0124487 -0.03354705 -0.02399857] [-0.0124487 0.03354705 0.02399857]] Final stress: [-1.04416758e-03 -9.99932298e-04 -1.06665791e-03 -6.99427656e-03 4.17047646e-06 7.25226303e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 0.02976449 0.04397443 0.00989957] [-0.03001105 0.01232493 -0.00512174] [ 0.03001105 -0.01232493 0.00512174] [-0.02976449 -0.04397443 -0.00989957] [ 0.02976449 0.04397443 0.00989957] [-0.03001105 0.01232493 -0.00512174] [ 0.03001105 -0.01232493 0.00512174] [-0.02976449 -0.04397443 -0.00989957] [ 0.00335953 -0.0423833 -0.01057299] [-0.00335953 0.0423833 0.01057299] [ 0.00335953 -0.0423833 -0.01057299] [-0.00335953 0.0423833 0.01057299] [-0.01244886 -0.03354561 0.02399854] [ 0.01244886 0.03354561 -0.02399854] [-0.01244886 -0.03354561 0.02399854] [ 0.01244886 0.03354561 -0.02399854]] Final stress: [-1.04420009e-03 -9.99928261e-04 -1.06660977e-03 6.99426217e-03 4.17043223e-06 -7.25229728e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-0.02976419 0.04397454 0.00990286] [ 0.03001075 0.01232529 -0.00511841] [-0.03001075 -0.01232529 0.00511841] [ 0.02976419 -0.04397454 -0.00990286] [-0.02976419 0.04397454 0.00990286] [ 0.03001075 0.01232529 -0.00511841] [-0.03001075 -0.01232529 0.00511841] [ 0.02976419 -0.04397454 -0.00990286] [-0.00335992 -0.04237974 -0.01057287] [ 0.00335992 0.04237974 0.01057287] [-0.00335992 -0.04237974 -0.01057287] [ 0.00335992 0.04237974 0.01057287] [ 0.01244932 -0.03354959 0.02399858] [-0.01244932 0.03354959 -0.02399858] [ 0.01244932 -0.03354959 0.02399858] [-0.01244932 0.03354959 -0.02399858]] Final stress: [-1.04423111e-03 -9.99899932e-04 -1.06662386e-03 6.99429203e-03 -4.17052692e-06 7.25239630e-04] Minimization converged after 5 steps. Minimization converged after 5 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. 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]: [[ 14.68115 2.84528 3.82935 0. 0. -0. ] [ 2.84528 11.19054 2.68318 -0. 0. 0. ] [ 3.82935 2.68318 14.53781 0.00004 -0. -0. ] [ 0. -0. 0.00004 8024.37757 -0. 0. ] [ 0. 0. -0. -0. 0.34361 -0. ] [ -0. 0. -0. 0. -0. -0.66697]] 95%% Error estimate [ASE units]: [[ 0.00001 0.00001 0.00001 0. 0. 0. ] [ 0.00001 0. 0. 0. 0. 0. ] [ 0.00001 0. 0. 0.00271 0. 0. ] [ 0. 0. 0.00271 407744.98254 0. 0. ] [ 0. 0. 0. 0. 0. 0.00002] [ 0. 0. 0. 0. 0.00002 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 203872.491271 is too big compared to maximum elastic constant component 8024.377569 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000044 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 4 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 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 7 steps. Minimization converged after 7 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 7 steps. Minimization converged after 7 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 21 steps. Minimization converged after 21 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 11 steps. Minimization converged after 11 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 20 steps. Minimization converged after 20 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 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 5 steps. Minimization converged after 6 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 19 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 34 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 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 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 18 steps. Minimization converged after 17 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 9 steps. Minimization converged after 9 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.20368137 -2.72962994 -1.50754006] [-1.02505643 -3.95262672 -2.01035335] [ 1.02505643 3.95262672 2.01035335] [ 0.20368137 2.72962994 1.50754006] [-0.20368137 -2.72962994 -1.50754006] [-1.02505643 -3.95262672 -2.01035335] [ 1.02505643 3.95262672 2.01035335] [ 0.20368137 2.72962994 1.50754006] [ 0.47757074 -3.03471846 -2.3640481 ] [-0.47757074 3.03471846 2.3640481 ] [ 0.47757074 -3.03471846 -2.3640481 ] [-0.47757074 3.03471846 2.3640481 ] [-0.15029327 1.12220972 0.26360536] [ 0.15029327 -1.12220972 -0.26360536] [-0.15029327 1.12220972 0.26360536] [ 0.15029327 -1.12220972 -0.26360536]] Final stress: [ 0.04787368 0.02843139 -0.01877846 -0.37956338 -0.00299326 0.00432378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.20368137 -2.72962994 -1.50754006] [ 1.02505643 -3.95262672 -2.01035335] [-1.02505643 3.95262672 2.01035335] [-0.20368137 2.72962994 1.50754006] [ 0.20368137 -2.72962994 -1.50754006] [ 1.02505643 -3.95262672 -2.01035335] [-1.02505643 3.95262672 2.01035335] [-0.20368137 2.72962994 1.50754006] [-0.47757074 -3.03471846 -2.3640481 ] [ 0.47757074 3.03471846 2.3640481 ] [-0.47757074 -3.03471846 -2.3640481 ] [ 0.47757074 3.03471846 2.3640481 ] [ 0.15029327 1.12220972 0.26360536] [-0.15029327 -1.12220972 -0.26360536] [ 0.15029327 1.12220972 0.26360536] [-0.15029327 -1.12220972 -0.26360536]] Final stress: [ 0.04787368 0.02843139 -0.01877846 -0.37956338 0.00299326 -0.00432378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.02505643 3.95262672 -2.01035335] [-0.20368137 2.72962994 -1.50754006] [ 0.20368137 -2.72962994 1.50754006] [ 1.02505643 -3.95262672 2.01035335] [-1.02505643 3.95262672 -2.01035335] [-0.20368137 2.72962994 -1.50754006] [ 0.20368137 -2.72962994 1.50754006] [ 1.02505643 -3.95262672 2.01035335] [-0.47757074 -3.03471846 2.3640481 ] [ 0.47757074 3.03471846 -2.3640481 ] [-0.47757074 -3.03471846 2.3640481 ] [ 0.47757074 3.03471846 -2.3640481 ] [ 0.15029327 1.12220972 -0.26360536] [-0.15029327 -1.12220972 0.26360536] [ 0.15029327 1.12220972 -0.26360536] [-0.15029327 -1.12220972 0.26360536]] Final stress: [ 0.04787368 0.02843139 -0.01877846 0.37956338 -0.00299326 -0.00432378] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.02505643 3.95262672 -2.01035335] [ 0.20368137 2.72962994 -1.50754006] [-0.20368137 -2.72962994 1.50754006] [-1.02505643 -3.95262672 2.01035335] [ 1.02505643 3.95262672 -2.01035335] [ 0.20368137 2.72962994 -1.50754006] [-0.20368137 -2.72962994 1.50754006] [-1.02505643 -3.95262672 2.01035335] [ 0.47757074 -3.03471846 2.3640481 ] [-0.47757074 3.03471846 -2.3640481 ] [ 0.47757074 -3.03471846 2.3640481 ] [-0.47757074 3.03471846 -2.3640481 ] [-0.15029327 1.12220972 -0.26360536] [ 0.15029327 -1.12220972 0.26360536] [-0.15029327 1.12220972 -0.26360536] [ 0.15029327 -1.12220972 0.26360536]] Final stress: [ 0.04787368 0.02843139 -0.01877846 0.37956338 0.00299326 0.00432378] Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 19 steps. Minimization converged after 19 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 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 19 steps. Minimization converged after 19 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 9 steps. Minimization converged after 9 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.1787229 -1.85074238 -0.57217538] [-0.49548179 -2.3201721 -0.82377257] [ 0.49548179 2.3201721 0.82377257] [ 0.1787229 1.85074238 0.57217538] [-0.1787229 -1.85074238 -0.57217538] [-0.49548179 -2.3201721 -0.82377257] [ 0.49548179 2.3201721 0.82377257] [ 0.1787229 1.85074238 0.57217538] [ 0.17722623 -1.15796753 -1.12183157] [-0.17722623 1.15796753 1.12183157] [ 0.17722623 -1.15796753 -1.12183157] [-0.17722623 1.15796753 1.12183157] [-0.06212857 0.41117298 -0.06684294] [ 0.06212857 -0.41117298 0.06684294] [-0.06212857 0.41117298 -0.06684294] [ 0.06212857 -0.41117298 0.06684294]] Final stress: [ 0.02166689 0.01385484 -0.00740954 -0.23266346 -0.00344497 0.00133842] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.1787229 -1.85074238 -0.57217538] [ 0.49548179 -2.3201721 -0.82377257] [-0.49548179 2.3201721 0.82377257] [-0.1787229 1.85074238 0.57217538] [ 0.1787229 -1.85074238 -0.57217538] [ 0.49548179 -2.3201721 -0.82377257] [-0.49548179 2.3201721 0.82377257] [-0.1787229 1.85074238 0.57217538] [-0.17722623 -1.15796753 -1.12183157] [ 0.17722623 1.15796753 1.12183157] [-0.17722623 -1.15796753 -1.12183157] [ 0.17722623 1.15796753 1.12183157] [ 0.06212857 0.41117298 -0.06684294] [-0.06212857 -0.41117298 0.06684294] [ 0.06212857 0.41117298 -0.06684294] [-0.06212857 -0.41117298 0.06684294]] Final stress: [ 0.02166689 0.01385484 -0.00740954 -0.23266346 0.00344497 -0.00133842] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.49548179 2.3201721 -0.82377257] [-0.1787229 1.85074238 -0.57217538] [ 0.1787229 -1.85074238 0.57217538] [ 0.49548179 -2.3201721 0.82377257] [-0.49548179 2.3201721 -0.82377257] [-0.1787229 1.85074238 -0.57217538] [ 0.1787229 -1.85074238 0.57217538] [ 0.49548179 -2.3201721 0.82377257] [-0.17722623 -1.15796753 1.12183157] [ 0.17722623 1.15796753 -1.12183157] [-0.17722623 -1.15796753 1.12183157] [ 0.17722623 1.15796753 -1.12183157] [ 0.06212857 0.41117298 0.06684294] [-0.06212857 -0.41117298 -0.06684294] [ 0.06212857 0.41117298 0.06684294] [-0.06212857 -0.41117298 -0.06684294]] Final stress: [ 0.02166689 0.01385484 -0.00740954 0.23266346 -0.00344497 -0.00133842] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.49548179 2.3201721 -0.82377257] [ 0.1787229 1.85074238 -0.57217538] [-0.1787229 -1.85074238 0.57217538] [-0.49548179 -2.3201721 0.82377257] [ 0.49548179 2.3201721 -0.82377257] [ 0.1787229 1.85074238 -0.57217538] [-0.1787229 -1.85074238 0.57217538] [-0.49548179 -2.3201721 0.82377257] [ 0.17722623 -1.15796753 1.12183157] [-0.17722623 1.15796753 -1.12183157] [ 0.17722623 -1.15796753 1.12183157] [-0.17722623 1.15796753 -1.12183157] [-0.06212857 0.41117298 0.06684294] [ 0.06212857 -0.41117298 -0.06684294] [-0.06212857 0.41117298 0.06684294] [ 0.06212857 -0.41117298 -0.06684294]] Final stress: [ 0.02166689 0.01385484 -0.00740954 0.23266346 0.00344497 0.00133842] Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.23439792 0.56825354 -0.21516923] [ 0.45205844 -0.03038314 -1.21498599] [-0.45205844 0.03038314 1.21498599] [-0.23439792 -0.56825354 0.21516923] [ 0.23439792 0.56825354 -0.21516924] [ 0.45205844 -0.03038314 -1.21498599] [-0.45205844 0.03038314 1.21498599] [-0.23439792 -0.56825354 0.21516923] [ 0.26090955 0.20531908 -1.38156047] [-0.26090955 -0.20531908 1.38156047] [ 0.26090955 0.20531908 -1.38156047] [-0.26090955 -0.20531908 1.38156047] [-0.66370683 0.92380094 -0.4335275 ] [ 0.66370683 -0.92380094 0.4335275 ] [-0.66370683 0.92380094 -0.4335275 ] [ 0.66370683 -0.92380094 0.4335275 ]] Final stress: [ 0.00811065 -0.00386359 0.01564716 0.13028647 0.01006523 -0.02639386] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.45205779 0.03038281 -1.2149843 ] [ 0.23439769 -0.56825299 -0.21516932] [-0.23439769 0.56825299 0.21516932] [-0.45205779 -0.03038281 1.2149843 ] [ 0.45205779 0.03038281 -1.2149843 ] [ 0.23439769 -0.56825299 -0.21516932] [-0.23439769 0.56825299 0.21516932] [-0.45205779 -0.03038281 1.2149843 ] [-0.26090909 0.20531843 1.38155873] [ 0.26090909 -0.20531843 -1.38155873] [-0.26090909 0.20531843 1.38155873] [ 0.26090909 -0.20531843 -1.38155873] [ 0.66370606 0.92379978 0.43352656] [-0.66370606 -0.92379978 -0.43352656] [ 0.66370606 0.92379978 0.43352656] [-0.66370606 -0.92379978 -0.43352656]] Final stress: [ 0.00811064 -0.00386358 0.01564714 -0.13028634 0.01006522 0.02639384] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.452058 0.03038291 -1.21498483] [-0.23439774 -0.56825316 -0.2151693 ] [ 0.23439774 0.56825316 0.2151693 ] [ 0.452058 -0.03038291 1.21498483] [-0.452058 0.03038291 -1.21498483] [-0.23439774 -0.56825316 -0.2151693 ] [ 0.23439774 0.56825316 0.2151693 ] [ 0.452058 -0.03038291 1.21498483] [ 0.26090922 0.20531862 1.38155926] [-0.26090922 -0.20531862 -1.38155926] [ 0.26090922 0.20531862 1.38155926] [-0.26090922 -0.20531862 -1.38155926] [-0.66370629 0.92380015 0.43352685] [ 0.66370629 -0.92380015 -0.43352685] [-0.66370629 0.92380015 0.43352685] [ 0.66370629 -0.92380015 -0.43352685]] Final stress: [ 0.00811064 -0.00386359 0.01564715 -0.13028638 -0.01006522 -0.02639385] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.23439791 0.56825354 -0.21516924] [-0.45205844 -0.03038313 -1.21498599] [ 0.45205844 0.03038313 1.21498599] [ 0.23439791 -0.56825354 0.21516924] [-0.23439791 0.56825354 -0.21516924] [-0.45205844 -0.03038313 -1.21498599] [ 0.45205844 0.03038313 1.21498599] [ 0.23439791 -0.56825354 0.21516924] [-0.26090955 0.20531907 -1.38156047] [ 0.26090955 -0.20531907 1.38156047] [-0.26090955 0.20531907 -1.38156047] [ 0.26090955 -0.20531907 1.38156047] [ 0.66370683 0.92380094 -0.4335275 ] [-0.66370683 -0.92380094 0.4335275 ] [ 0.66370683 0.92380094 -0.4335275 ] [-0.66370683 -0.92380094 0.4335275 ]] Final stress: [ 0.00811065 -0.00386359 0.01564716 0.13028647 -0.01006523 0.02639386] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. 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 7 steps. Minimization converged after 5 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.48147162e-13 -5.40668171e+00 -5.48821348e+00] [-5.74315704e-12 -2.03642506e+00 -1.32873234e+00] [-3.20147370e-12 2.03642506e+00 1.32873234e+00] [ 3.90096809e-13 5.40668171e+00 5.48821348e+00] [-3.68994765e-13 -5.40668171e+00 -5.48821348e+00] [ 4.59470743e-12 -2.03642506e+00 -1.32873234e+00] [ 6.61197171e-12 2.03642506e+00 1.32873234e+00] [-3.74584695e-13 5.40668171e+00 5.48821348e+00] [-4.86836168e-12 -3.12847366e+00 -2.55845192e+00] [-3.07125939e-12 3.12847366e+00 2.55845192e+00] [ 1.30345062e-12 -3.12847366e+00 -2.55845192e+00] [ 9.05874334e-13 3.12847366e+00 2.55845192e+00] [-7.58655291e-14 -2.33706909e+00 9.23748116e-01] [-1.75656121e-13 2.33706909e+00 -9.23748116e-01] [ 2.79852339e-12 -2.33706909e+00 9.23748116e-01] [ 8.39785950e-13 2.33706909e+00 -9.23748116e-01]] Final stress: [-1.79525891e-03 8.98375689e-02 3.62192680e-02 -5.05192058e-01 -1.95337500e-15 6.05370536e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.04703006e-12 2.03642506e+00 -1.32873234e+00] [-5.68848592e-12 5.40668171e+00 -5.48821348e+00] [-9.99449557e-12 -5.40668171e+00 5.48821348e+00] [-2.31520966e-12 -2.03642506e+00 1.32873234e+00] [ 2.06237642e-12 2.03642506e+00 -1.32873234e+00] [ 9.92607255e-12 5.40668171e+00 -5.48821348e+00] [ 5.59121965e-12 -5.40668171e+00 5.48821348e+00] [ 7.60659417e-12 -2.03642506e+00 1.32873234e+00] [-3.86575255e-12 -3.12847366e+00 2.55845192e+00] [ 1.43339680e-12 3.12847366e+00 -2.55845192e+00] [ 7.21007889e-13 -3.12847366e+00 2.55845192e+00] [ 1.94845182e-12 3.12847366e+00 -2.55845192e+00] [-9.89976330e-13 -2.33706909e+00 -9.23748116e-01] [ 6.07555727e-14 2.33706909e+00 9.23748116e-01] [ 2.51595463e-12 -2.33706909e+00 -9.23748116e-01] [-9.58876424e-13 2.33706909e+00 9.23748116e-01]] Final stress: [-1.79525891e-03 8.98375689e-02 3.62192680e-02 5.05192058e-01 1.42771055e-14 1.57693428e-14] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 21 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 8 steps. Minimization converged after 8 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.13676474 -1.21248782 -0.19000525] [-0.2609738 -1.39249421 -0.33027291] [ 0.2609738 1.39249421 0.33027291] [ 0.13676474 1.21248782 0.19000525] [-0.13676474 -1.21248782 -0.19000525] [-0.2609738 -1.39249421 -0.33027291] [ 0.2609738 1.39249421 0.33027291] [ 0.13676474 1.21248782 0.19000525] [ 0.06733423 -0.42564281 -0.61262637] [-0.06733423 0.42564281 0.61262637] [ 0.06733423 -0.42564281 -0.61262637] [-0.06733423 0.42564281 0.61262637] [-0.02484635 0.12785323 -0.10243519] [ 0.02484635 -0.12785323 0.10243519] [-0.02484635 0.12785323 -0.10243519] [ 0.02484635 -0.12785323 0.10243519]] Final stress: [ 0.00870024 0.00599673 -0.00276325 -0.1444021 -0.00267423 0.00031687] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.13676474 -1.21248782 -0.19000525] [ 0.2609738 -1.39249421 -0.33027291] [-0.2609738 1.39249421 0.33027291] [-0.13676474 1.21248782 0.19000525] [ 0.13676474 -1.21248782 -0.19000525] [ 0.2609738 -1.39249421 -0.33027291] [-0.2609738 1.39249421 0.33027291] [-0.13676474 1.21248782 0.19000525] [-0.06733423 -0.42564281 -0.61262637] [ 0.06733423 0.42564281 0.61262637] [-0.06733423 -0.42564281 -0.61262637] [ 0.06733423 0.42564281 0.61262637] [ 0.02484635 0.12785323 -0.10243519] [-0.02484635 -0.12785323 0.10243519] [ 0.02484635 0.12785323 -0.10243519] [-0.02484635 -0.12785323 0.10243519]] Final stress: [ 0.00870024 0.00599673 -0.00276325 -0.1444021 0.00267423 -0.00031687] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.2609738 1.39249421 -0.33027291] [-0.13676474 1.21248782 -0.19000525] [ 0.13676474 -1.21248782 0.19000525] [ 0.2609738 -1.39249421 0.33027291] [-0.2609738 1.39249421 -0.33027291] [-0.13676474 1.21248782 -0.19000525] [ 0.13676474 -1.21248782 0.19000525] [ 0.2609738 -1.39249421 0.33027291] [-0.06733423 -0.42564281 0.61262637] [ 0.06733423 0.42564281 -0.61262637] [-0.06733423 -0.42564281 0.61262637] [ 0.06733423 0.42564281 -0.61262637] [ 0.02484635 0.12785323 0.10243519] [-0.02484635 -0.12785323 -0.10243519] [ 0.02484635 0.12785323 0.10243519] [-0.02484635 -0.12785323 -0.10243519]] Final stress: [ 0.00870024 0.00599673 -0.00276325 0.1444021 -0.00267423 -0.00031687] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.2609738 1.39249421 -0.33027291] [ 0.13676474 1.21248782 -0.19000525] [-0.13676474 -1.21248782 0.19000525] [-0.2609738 -1.39249421 0.33027291] [ 0.2609738 1.39249421 -0.33027291] [ 0.13676474 1.21248782 -0.19000525] [-0.13676474 -1.21248782 0.19000525] [-0.2609738 -1.39249421 0.33027291] [ 0.06733423 -0.42564281 0.61262637] [-0.06733423 0.42564281 -0.61262637] [ 0.06733423 -0.42564281 0.61262637] [-0.06733423 0.42564281 -0.61262637] [-0.02484635 0.12785323 0.10243519] [ 0.02484635 -0.12785323 -0.10243519] [-0.02484635 0.12785323 0.10243519] [ 0.02484635 -0.12785323 -0.10243519]] Final stress: [ 0.00870024 0.00599673 -0.00276325 0.1444021 0.00267423 0.00031687] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.93280657 -1.54112897 -0.32253881] [ 3.2741766 -1.87964692 -0.41352106] [-3.2741766 1.87964692 0.41352106] [ 2.93280657 1.54112897 0.32253881] [-2.93280657 -1.54112897 -0.32253881] [ 3.2741766 -1.87964692 -0.41352106] [-3.2741766 1.87964692 0.41352106] [ 2.93280657 1.54112897 0.32253881] [ 0.302352 -0.82590934 -0.87421378] [-0.302352 0.82590934 0.87421378] [ 0.302352 -0.82590934 -0.87421378] [-0.302352 0.82590934 0.87421378] [-1.32044276 0.24067116 -0.10363475] [ 1.32044276 -0.24067116 0.10363475] [-1.32044276 0.24067116 -0.10363475] [ 1.32044276 -0.24067116 0.10363475]] Final stress: [ 0.00046013 0.00934448 -0.01126176 -0.20652924 -0.0131449 -0.0280123 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.93280657 -1.54112897 -0.32253881] [-3.2741766 -1.87964692 -0.41352106] [ 3.2741766 1.87964692 0.41352106] [-2.93280657 1.54112897 0.32253881] [ 2.93280657 -1.54112897 -0.32253881] [-3.2741766 -1.87964692 -0.41352106] [ 3.2741766 1.87964692 0.41352106] [-2.93280657 1.54112897 0.32253881] [-0.302352 -0.82590934 -0.87421378] [ 0.302352 0.82590934 0.87421378] [-0.302352 -0.82590934 -0.87421378] [ 0.302352 0.82590934 0.87421378] [ 1.32044276 0.24067116 -0.10363475] [-1.32044276 -0.24067116 0.10363475] [ 1.32044276 0.24067116 -0.10363475] [-1.32044276 -0.24067116 0.10363475]] Final stress: [ 0.00046013 0.00934448 -0.01126176 -0.20652924 0.0131449 0.0280123 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.2741766 1.87964692 -0.41352106] [ 2.93280657 1.54112897 -0.32253881] [-2.93280657 -1.54112897 0.32253881] [ 3.2741766 -1.87964692 0.41352106] [-3.2741766 1.87964692 -0.41352106] [ 2.93280657 1.54112897 -0.32253881] [-2.93280657 -1.54112897 0.32253881] [ 3.2741766 -1.87964692 0.41352106] [ 0.302352 -0.82590934 0.87421378] [-0.302352 0.82590934 -0.87421378] [ 0.302352 -0.82590934 0.87421378] [-0.302352 0.82590934 -0.87421378] [-1.32044276 0.24067116 0.10363475] [ 1.32044276 -0.24067116 -0.10363475] [-1.32044276 0.24067116 0.10363475] [ 1.32044276 -0.24067116 -0.10363475]] Final stress: [ 0.00046013 0.00934448 -0.01126176 0.20652924 0.0131449 -0.0280123 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.2741766 1.87964692 -0.41352106] [-2.93280657 1.54112897 -0.32253881] [ 2.93280657 -1.54112897 0.32253881] [-3.2741766 -1.87964692 0.41352106] [ 3.2741766 1.87964692 -0.41352106] [-2.93280657 1.54112897 -0.32253881] [ 2.93280657 -1.54112897 0.32253881] [-3.2741766 -1.87964692 0.41352106] [-0.302352 -0.82590934 0.87421378] [ 0.302352 0.82590934 -0.87421378] [-0.302352 -0.82590934 0.87421378] [ 0.302352 0.82590934 -0.87421378] [ 1.32044276 0.24067116 0.10363475] [-1.32044276 -0.24067116 -0.10363475] [ 1.32044276 0.24067116 0.10363475] [-1.32044276 -0.24067116 -0.10363475]] Final stress: [ 0.00046013 0.00934448 -0.01126176 0.20652924 -0.0131449 0.0280123 ] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 35 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. Minimization converged after 22 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.53795638e-13 -3.39465766e+00 -2.79636395e+00] [-1.33200525e-12 -1.36751825e+00 -1.28175560e+00] [-8.16239036e-12 1.36751825e+00 1.28175560e+00] [-8.64758612e-12 3.39465766e+00 2.79636395e+00] [ 8.70047708e-12 -3.39465766e+00 -2.79636395e+00] [ 7.74511011e-12 -1.36751825e+00 -1.28175560e+00] [ 3.17160892e-12 1.36751825e+00 1.28175560e+00] [ 4.81016919e-13 3.39465766e+00 2.79636395e+00] [-3.51558040e-12 -8.43571880e-01 -1.18129125e+00] [-4.89869170e-12 8.43571880e-01 1.18129125e+00] [-3.02291829e-13 -8.43571880e-01 -1.18129125e+00] [ 5.72618342e-13 8.43571880e-01 1.18129125e+00] [ 3.06265430e-15 -2.08077685e+00 1.00782365e-01] [ 2.65028451e-13 2.08077685e+00 -1.00782365e-01] [ 2.93753974e-12 -2.08077685e+00 1.00782365e-01] [ 3.43227454e-12 2.08077685e+00 -1.00782365e-01]] Final stress: [-1.94270045e-02 5.87484897e-02 3.86018143e-02 -3.04477436e-01 5.75661968e-14 -5.62170814e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.14396425e-12 1.36751825e+00 -1.28175560e+00] [-6.83959465e-12 3.39465766e+00 -2.79636395e+00] [-2.11889935e-12 -3.39465766e+00 2.79636395e+00] [-2.92546976e-12 -1.36751825e+00 1.28175560e+00] [ 3.46819914e-12 1.36751825e+00 -1.28175560e+00] [ 2.34979917e-12 3.39465766e+00 -2.79636395e+00] [ 6.75978262e-12 -3.39465766e+00 2.79636395e+00] [ 5.46411028e-12 -1.36751825e+00 1.28175560e+00] [-6.27860697e-12 -8.43571880e-01 1.18129125e+00] [-6.16919710e-13 8.43571880e-01 -1.18129125e+00] [ 1.60506265e-13 -8.43571880e-01 1.18129125e+00] [ 1.26563690e-13 8.43571880e-01 -1.18129125e+00] [-2.65573587e-13 -2.08077685e+00 -1.00782365e-01] [ 7.06604913e-14 2.08077685e+00 1.00782365e-01] [ 4.60105143e-12 -2.08077685e+00 -1.00782365e-01] [ 1.77218239e-13 2.08077685e+00 1.00782365e-01]] Final stress: [-1.94270045e-02 5.87484897e-02 3.86018143e-02 3.04477436e-01 -2.31293599e-14 8.21189178e-15] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 20 steps. Minimization converged after 20 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 9 steps. Minimization converged after 9 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.09765044 -0.77915384 -0.04376631] [-0.14599516 -0.84826508 -0.12561141] [ 0.14599516 0.84826508 0.12561141] [ 0.09765044 0.77915384 0.04376631] [-0.09765044 -0.77915384 -0.04376631] [-0.14599516 -0.84826508 -0.12561141] [ 0.14599516 0.84826508 0.12561141] [ 0.09765044 0.77915384 0.04376631] [ 0.0245758 -0.13873314 -0.35827275] [-0.0245758 0.13873314 0.35827275] [ 0.0245758 -0.13873314 -0.35827275] [-0.0245758 0.13873314 0.35827275] [-0.01126886 0.01959099 -0.07577998] [ 0.01126886 -0.01959099 0.07577998] [-0.01126886 0.01959099 -0.07577998] [ 0.01126886 -0.01959099 0.07577998]] Final stress: [ 3.19789506e-03 2.70196465e-03 -9.71642305e-04 -8.99491930e-02 -1.72273080e-03 6.57098232e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.09765044 -0.77915384 -0.04376631] [ 0.14599516 -0.84826508 -0.12561141] [-0.14599516 0.84826508 0.12561141] [-0.09765044 0.77915384 0.04376631] [ 0.09765044 -0.77915384 -0.04376631] [ 0.14599516 -0.84826508 -0.12561141] [-0.14599516 0.84826508 0.12561141] [-0.09765044 0.77915384 0.04376631] [-0.0245758 -0.13873314 -0.35827275] [ 0.0245758 0.13873314 0.35827275] [-0.0245758 -0.13873314 -0.35827275] [ 0.0245758 0.13873314 0.35827275] [ 0.01126886 0.01959099 -0.07577998] [-0.01126886 -0.01959099 0.07577998] [ 0.01126886 0.01959099 -0.07577998] [-0.01126886 -0.01959099 0.07577998]] Final stress: [ 3.19789506e-03 2.70196465e-03 -9.71642305e-04 -8.99491930e-02 1.72273080e-03 -6.57098231e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.14599516 0.84826508 -0.12561141] [-0.09765044 0.77915384 -0.04376631] [ 0.09765044 -0.77915384 0.04376631] [ 0.14599516 -0.84826508 0.12561141] [-0.14599516 0.84826508 -0.12561141] [-0.09765044 0.77915384 -0.04376631] [ 0.09765044 -0.77915384 0.04376631] [ 0.14599516 -0.84826508 0.12561141] [-0.0245758 -0.13873314 0.35827275] [ 0.0245758 0.13873314 -0.35827275] [-0.0245758 -0.13873314 0.35827275] [ 0.0245758 0.13873314 -0.35827275] [ 0.01126886 0.01959099 0.07577998] [-0.01126886 -0.01959099 -0.07577998] [ 0.01126886 0.01959099 0.07577998] [-0.01126886 -0.01959099 -0.07577998]] Final stress: [ 3.19789506e-03 2.70196465e-03 -9.71642305e-04 8.99491930e-02 -1.72273080e-03 -6.57098231e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.14599516 0.84826508 -0.12561141] [ 0.09765044 0.77915384 -0.04376631] [-0.09765044 -0.77915384 0.04376631] [-0.14599516 -0.84826508 0.12561141] [ 0.14599516 0.84826508 -0.12561141] [ 0.09765044 0.77915384 -0.04376631] [-0.09765044 -0.77915384 0.04376631] [-0.14599516 -0.84826508 0.12561141] [ 0.0245758 -0.13873314 0.35827275] [-0.0245758 0.13873314 -0.35827275] [ 0.0245758 -0.13873314 0.35827275] [-0.0245758 0.13873314 -0.35827275] [-0.01126886 0.01959099 0.07577998] [ 0.01126886 -0.01959099 -0.07577998] [-0.01126886 0.01959099 0.07577998] [ 0.01126886 -0.01959099 -0.07577998]] Final stress: [ 3.19789506e-03 2.70196465e-03 -9.71642305e-04 8.99491930e-02 1.72273078e-03 6.57098233e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.1058644 -1.10289367 -0.09694259] [ 2.27496716 -1.25905783 -0.16600277] [-2.27496716 1.25905783 0.16600277] [ 2.1058644 1.10289367 0.09694259] [-2.1058644 -1.10289367 -0.09694259] [ 2.27496716 -1.25905783 -0.16600277] [-2.27496716 1.25905783 0.16600277] [ 2.1058644 1.10289367 0.09694259] [ 0.27653257 -0.35740292 -0.55123691] [-0.27653257 0.35740292 0.55123691] [ 0.27653257 -0.35740292 -0.55123691] [-0.27653257 0.35740292 0.55123691] [-0.91974931 0.07576616 -0.09632468] [ 0.91974931 -0.07576616 0.09632468] [-0.91974931 0.07576616 -0.09632468] [ 0.91974931 -0.07576616 0.09632468]] Final stress: [ 0.00025627 0.00442904 -0.00621189 -0.14031961 -0.00618095 -0.01919493] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.1058644 -1.10289367 -0.09694259] [-2.27496716 -1.25905783 -0.16600277] [ 2.27496716 1.25905783 0.16600277] [-2.1058644 1.10289367 0.09694259] [ 2.1058644 -1.10289367 -0.09694259] [-2.27496716 -1.25905783 -0.16600277] [ 2.27496716 1.25905783 0.16600277] [-2.1058644 1.10289367 0.09694259] [-0.27653257 -0.35740292 -0.55123691] [ 0.27653257 0.35740292 0.55123691] [-0.27653257 -0.35740292 -0.55123691] [ 0.27653257 0.35740292 0.55123691] [ 0.91974931 0.07576616 -0.09632468] [-0.91974931 -0.07576616 0.09632468] [ 0.91974931 0.07576616 -0.09632468] [-0.91974931 -0.07576616 0.09632468]] Final stress: [ 0.00025627 0.00442904 -0.00621189 -0.14031961 0.00618095 0.01919493] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.27496716 1.25905783 -0.16600277] [ 2.1058644 1.10289367 -0.09694259] [-2.1058644 -1.10289367 0.09694259] [ 2.27496716 -1.25905783 0.16600277] [-2.27496716 1.25905783 -0.16600277] [ 2.1058644 1.10289367 -0.09694259] [-2.1058644 -1.10289367 0.09694259] [ 2.27496716 -1.25905783 0.16600277] [ 0.27653257 -0.35740292 0.55123691] [-0.27653257 0.35740292 -0.55123691] [ 0.27653257 -0.35740292 0.55123691] [-0.27653257 0.35740292 -0.55123691] [-0.91974931 0.07576616 0.09632468] [ 0.91974931 -0.07576616 -0.09632468] [-0.91974931 0.07576616 0.09632468] [ 0.91974931 -0.07576616 -0.09632468]] Final stress: [ 0.00025627 0.00442904 -0.00621189 0.14031961 0.00618095 -0.01919493] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.27496716 1.25905783 -0.16600277] [-2.1058644 1.10289367 -0.09694259] [ 2.1058644 -1.10289367 0.09694259] [-2.27496716 -1.25905783 0.16600277] [ 2.27496716 1.25905783 -0.16600277] [-2.1058644 1.10289367 -0.09694259] [ 2.1058644 -1.10289367 0.09694259] [-2.27496716 -1.25905783 0.16600277] [-0.27653257 -0.35740292 0.55123691] [ 0.27653257 0.35740292 -0.55123691] [-0.27653257 -0.35740292 0.55123691] [ 0.27653257 0.35740292 -0.55123691] [ 0.91974931 0.07576616 0.09632468] [-0.91974931 -0.07576616 -0.09632468] [ 0.91974931 0.07576616 0.09632468] [-0.91974931 -0.07576616 -0.09632468]] Final stress: [ 0.00025627 0.00442904 -0.00621189 0.14031961 -0.00618095 0.01919493] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.29704607 0.04367555 1.49485208] [ 0.89204905 0.3868235 -0.78470445] [-0.89204905 -0.3868235 0.78470445] [ 0.29704607 -0.04367555 -1.49485208] [-0.29704607 0.04367555 1.49485208] [ 0.89204905 0.3868235 -0.78470445] [-0.89204905 -0.3868235 0.78470445] [ 0.29704607 -0.04367555 -1.49485208] [ 0.44201043 0.99274337 -1.72248004] [-0.44201043 -0.99274337 1.72248004] [ 0.44201043 0.99274337 -1.72248004] [-0.44201043 -0.99274338 1.72248004] [-0.4974006 0.06325082 -0.87110469] [ 0.4974006 -0.06325082 0.87110469] [-0.4974006 0.06325082 -0.87110469] [ 0.4974006 -0.06325082 0.87110469]] Final stress: [ 0.02101519 0.0104429 0.00905138 0.13465626 0.00631884 -0.0087309 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.89205894 -0.38682297 -0.78472408] [-0.29705215 -0.04367662 1.49483573] [ 0.29705215 0.04367662 -1.49483573] [-0.89205894 0.38682297 0.78472408] [ 0.89205894 -0.38682297 -0.78472408] [-0.29705215 -0.04367662 1.49483573] [ 0.29705215 0.04367662 -1.49483573] [-0.89205894 0.38682297 0.78472408] [-0.44201332 0.99273497 1.72247977] [ 0.44201332 -0.99273497 -1.72247977] [-0.44201332 0.99273497 1.72247977] [ 0.44201332 -0.99273497 -1.72247977] [ 0.49740424 0.06325924 0.87110543] [-0.49740424 -0.06325924 -0.87110543] [ 0.49740424 0.06325924 0.87110543] [-0.49740424 -0.06325924 -0.87110543]] Final stress: [ 0.02101504 0.01044289 0.00905158 -0.13465629 0.00631888 0.00873093] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.89202997 -0.38682455 -0.78466647] [ 0.29703428 -0.04367347 1.49488382] [-0.29703428 0.04367347 -1.49488382] [ 0.89202997 0.38682455 0.78466647] [-0.89202997 -0.38682455 -0.78466647] [ 0.29703428 -0.04367347 1.49488382] [-0.29703428 0.04367347 -1.49488382] [ 0.89202997 0.38682455 0.78466647] [ 0.44200481 0.9927597 1.72248061] [-0.44200481 -0.9927597 -1.72248061] [ 0.44200481 0.9927597 1.72248061] [-0.44200481 -0.9927597 -1.72248061] [-0.49739353 0.06323454 0.87110331] [ 0.49739353 -0.06323454 -0.87110331] [-0.49739353 0.06323454 0.87110331] [ 0.49739353 -0.06323454 -0.87110331]] Final stress: [ 0.02101548 0.01044291 0.009051 -0.13465622 -0.00631876 -0.00873083] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.29704038 0.04367455 1.49486754] [-0.89203988 0.38682402 -0.78468614] [ 0.89203988 -0.38682402 0.78468614] [-0.29704038 -0.04367455 -1.49486754] [ 0.29704038 0.04367455 1.49486754] [-0.89203988 0.38682402 -0.78468614] [ 0.89203988 -0.38682402 0.78468614] [-0.29704038 -0.04367455 -1.49486754] [-0.44200773 0.99275135 -1.72248043] [ 0.44200773 -0.99275135 1.72248043] [-0.44200773 0.99275135 -1.72248042] [ 0.44200773 -0.99275135 1.72248043] [ 0.4973972 0.06324297 -0.8711041 ] [-0.4973972 -0.06324297 0.8711041 ] [ 0.4973972 0.06324297 -0.8711041 ] [-0.4973972 -0.06324297 0.8711041 ]] Final stress: [ 0.02101533 0.0104429 0.0090512 0.13465625 -0.0063188 0.00873086] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.14011792e-12 -2.09582333e+00 -1.38288942e+00] [-6.01759983e-12 -8.19240499e-01 -8.77572341e-01] [-3.97407790e-12 8.19240499e-01 8.77572341e-01] [-7.62800500e-12 2.09582333e+00 1.38288942e+00] [ 7.63190140e-12 -2.09582333e+00 -1.38288942e+00] [ 3.66120675e-12 -8.19240499e-01 -8.77572341e-01] [ 5.84407414e-12 8.19240499e-01 8.77572341e-01] [ 8.92195454e-12 2.09582333e+00 1.38288942e+00] [-1.22471499e-12 -1.13453382e-01 -6.46143721e-01] [-3.78757095e-12 1.13453382e-01 6.46143721e-01] [ 3.93248585e-12 -1.13453382e-01 -6.46143721e-01] [ 5.46610630e-12 1.13453382e-01 6.46143721e-01] [-3.16659893e-12 -1.44077549e+00 -5.82665715e-02] [-4.63164221e-12 1.44077549e+00 5.82665715e-02] [ 9.00376114e-13 -1.44077549e+00 -5.82665715e-02] [ 3.22321897e-12 1.44077549e+00 5.82665715e-02]] Final stress: [-2.02513789e-02 3.45839377e-02 2.87281842e-02 -1.80413471e-01 -1.53704238e-14 -6.31286052e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.90655043e-12 8.19240499e-01 -8.77572341e-01] [-4.90456807e-12 2.09582333e+00 -1.38288942e+00] [-6.71182727e-12 -2.09582333e+00 1.38288942e+00] [-3.98248361e-12 -8.19240499e-01 8.77572341e-01] [ 4.25578995e-12 8.19240499e-01 -8.77572341e-01] [ 6.73567885e-12 2.09582333e+00 -1.38288942e+00] [ 5.07414477e-12 -2.09582333e+00 1.38288942e+00] [ 4.25174327e-12 -8.19240499e-01 8.77572341e-01] [-1.69297128e-12 -1.13453382e-01 6.46143721e-01] [-3.71850033e-12 1.13453382e-01 -6.46143721e-01] [ 2.69148484e-12 -1.13453382e-01 6.46143721e-01] [ 4.49491572e-12 1.13453382e-01 -6.46143721e-01] [-2.39426317e-12 -1.44077549e+00 5.82665715e-02] [-4.24908356e-12 1.44077549e+00 -5.82665715e-02] [ 1.16967383e-12 -1.44077549e+00 5.82665715e-02] [ 2.87867812e-12 1.44077549e+00 -5.82665715e-02]] Final stress: [-2.02513789e-02 3.45839377e-02 2.87281842e-02 1.80413471e-01 6.46013797e-15 6.57701547e-15] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 21 steps. Minimization converged after 20 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.05662260e-11 -2.18928429e+00 1.28055127e-01] [ 1.95370668e-11 -2.80994620e+00 -1.02412477e+00] [ 1.62906050e-11 2.80994620e+00 1.02412477e+00] [ 1.11634729e-11 2.18928429e+00 -1.28055127e-01] [-1.13806524e-11 -2.18928429e+00 1.28055127e-01] [-1.65115699e-11 -2.80994620e+00 -1.02412477e+00] [-2.04626133e-11 2.80994620e+00 1.02412477e+00] [-1.04885785e-11 2.18928429e+00 -1.28055127e-01] [ 1.62608512e-11 -4.94831555e-01 -1.85199365e+00] [ 1.89511020e-11 4.94831555e-01 1.85199365e+00] [-9.10934544e-12 -4.94831555e-01 -1.85199365e+00] [-1.12362693e-11 4.94831555e-01 1.85199365e+00] [ 7.00919314e-12 -2.01797507e-01 3.38908907e-01] [ 9.29577492e-12 2.01797507e-01 -3.38908907e-01] [-1.39844270e-11 -2.01797507e-01 3.38908907e-01] [-1.58985163e-11 2.01797507e-01 -3.38908907e-01]] Final stress: [ 1.20551379e-02 9.01571429e-03 -2.67083624e-02 -2.03420775e-01 9.27146676e-15 1.15343212e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.29574087e-11 2.80994620e+00 -1.02412477e+00] [ 1.59290801e-11 2.18928429e+00 1.28055127e-01] [ 1.64611330e-11 -2.18928429e+00 -1.28055127e-01] [ 1.12326580e-11 -2.80994620e+00 1.02412477e+00] [-1.20949866e-11 2.80994620e+00 -1.02412477e+00] [-1.64914271e-11 2.18928429e+00 1.28055127e-01] [-1.61290669e-11 -2.18928429e+00 -1.28055127e-01] [-1.34875548e-11 -2.80994620e+00 1.02412477e+00] [ 1.65754190e-11 -4.94831555e-01 1.85199365e+00] [ 1.86045936e-11 4.94831555e-01 -1.85199365e+00] [-8.89768532e-12 -4.94831556e-01 1.85199365e+00] [-1.03573062e-11 4.94831555e-01 -1.85199365e+00] [ 7.62005433e-12 -2.01797507e-01 -3.38908907e-01] [ 8.79946842e-12 2.01797507e-01 3.38908907e-01] [-1.43637545e-11 -2.01797507e-01 -3.38908907e-01] [-1.63561325e-11 2.01797507e-01 3.38908907e-01]] Final stress: [ 1.20551379e-02 9.01571430e-03 -2.67083624e-02 2.03420775e-01 3.48473818e-15 1.66377473e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.06587327 -0.49621099 0.0089378 ] [-0.08505049 -0.52094505 -0.04071582] [ 0.08505049 0.52094505 0.04071582] [ 0.06587327 0.49621099 -0.0089378 ] [-0.06587327 -0.49621099 0.0089378 ] [-0.08505049 -0.52094505 -0.04071582] [ 0.08505049 0.52094505 0.04071582] [ 0.06587327 0.49621099 -0.0089378 ] [ 0.00837482 -0.02756299 -0.21744924] [-0.00837482 0.02756299 0.21744924] [ 0.00837482 -0.02756299 -0.21744924] [-0.00837482 0.02756299 0.21744924] [-0.00550841 -0.02429235 -0.05000029] [ 0.00550841 0.02429235 0.05000029] [-0.00550841 -0.02429235 -0.05000029] [ 0.00550841 0.02429235 0.05000029]] Final stress: [ 9.67712436e-04 1.35292999e-03 -3.15006330e-04 -5.61350354e-02 -1.09562515e-03 -5.75541915e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.06587327 -0.49621099 0.0089378 ] [ 0.08505049 -0.52094505 -0.04071582] [-0.08505049 0.52094505 0.04071582] [-0.06587327 0.49621099 -0.0089378 ] [ 0.06587327 -0.49621099 0.0089378 ] [ 0.08505049 -0.52094505 -0.04071582] [-0.08505049 0.52094505 0.04071582] [-0.06587327 0.49621099 -0.0089378 ] [-0.00837482 -0.02756299 -0.21744924] [ 0.00837482 0.02756299 0.21744924] [-0.00837482 -0.02756299 -0.21744924] [ 0.00837482 0.02756299 0.21744924] [ 0.00550841 -0.02429235 -0.05000029] [-0.00550841 0.02429235 0.05000029] [ 0.00550841 -0.02429235 -0.05000029] [-0.00550841 0.02429235 0.05000029]] Final stress: [ 9.67712436e-04 1.35292999e-03 -3.15006330e-04 -5.61350354e-02 1.09562514e-03 5.75541914e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.08505048 0.52094505 -0.04071582] [-0.06587327 0.49621099 0.0089378 ] [ 0.06587327 -0.49621099 -0.0089378 ] [ 0.08505048 -0.52094505 0.04071582] [-0.08505048 0.52094505 -0.04071582] [-0.06587327 0.49621099 0.0089378 ] [ 0.06587327 -0.49621099 -0.0089378 ] [ 0.08505048 -0.52094505 0.04071582] [-0.00837482 -0.02756299 0.21744924] [ 0.00837482 0.02756299 -0.21744924] [-0.00837482 -0.02756299 0.21744924] [ 0.00837482 0.02756299 -0.21744924] [ 0.00550841 -0.02429235 0.05000029] [-0.00550841 0.02429235 -0.05000029] [ 0.00550841 -0.02429235 0.05000029] [-0.00550841 0.02429235 -0.05000029]] Final stress: [ 9.67712437e-04 1.35292998e-03 -3.15006331e-04 5.61350354e-02 -1.09562508e-03 5.75541910e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.08505049 0.52094505 -0.04071582] [ 0.06587327 0.49621099 0.0089378 ] [-0.06587327 -0.49621099 -0.0089378 ] [-0.08505049 -0.52094505 0.04071582] [ 0.08505049 0.52094505 -0.04071582] [ 0.06587327 0.49621099 0.0089378 ] [-0.06587327 -0.49621099 -0.0089378 ] [-0.08505049 -0.52094505 0.04071582] [ 0.00837482 -0.02756299 0.21744924] [-0.00837482 0.02756299 -0.21744924] [ 0.00837482 -0.02756299 0.21744924] [-0.00837482 0.02756299 -0.21744924] [-0.00550841 -0.02429235 0.05000029] [ 0.00550841 0.02429235 -0.05000029] [-0.00550841 -0.02429235 0.05000029] [ 0.00550841 0.02429235 -0.05000029]] Final stress: [ 9.67712437e-04 1.35292999e-03 -3.15006331e-04 5.61350354e-02 1.09562511e-03 -5.75541912e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.26067177 -0.67558017 0.02747158] [ 1.31840546 -0.72245256 -0.01179735] [-1.31840546 0.72245256 0.01179735] [ 1.26067177 0.67558017 -0.02747158] [-1.26067177 -0.67558017 0.02747158] [ 1.31840546 -0.72245256 -0.01179735] [-1.31840546 0.72245256 0.01179735] [ 1.26067177 0.67558017 -0.02747158] [ 0.18914825 -0.08939665 -0.3019385 ] [-0.18914825 0.08939665 0.3019385 ] [ 0.18914825 -0.08939665 -0.3019385 ] [-0.18914825 0.08939665 0.3019385 ] [-0.54318046 -0.01773669 -0.06952877] [ 0.54318046 0.01773669 0.06952877] [-0.54318046 -0.01773669 -0.06952877] [ 0.54318046 0.01773669 0.06952877]] Final stress: [ 0.00028345 0.00182137 -0.00257345 -0.08206766 -0.002167 -0.01130646] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.26067177 -0.67558017 0.02747158] [-1.31840546 -0.72245256 -0.01179735] [ 1.31840546 0.72245256 0.01179735] [-1.26067177 0.67558017 -0.02747158] [ 1.26067177 -0.67558017 0.02747158] [-1.31840546 -0.72245256 -0.01179735] [ 1.31840546 0.72245256 0.01179735] [-1.26067177 0.67558017 -0.02747158] [-0.18914825 -0.08939665 -0.3019385 ] [ 0.18914825 0.08939665 0.3019385 ] [-0.18914825 -0.08939665 -0.3019385 ] [ 0.18914825 0.08939665 0.3019385 ] [ 0.54318046 -0.01773669 -0.06952877] [-0.54318046 0.01773669 0.06952877] [ 0.54318046 -0.01773669 -0.06952877] [-0.54318046 0.01773669 0.06952877]] Final stress: [ 0.00028345 0.00182137 -0.00257345 -0.08206766 0.002167 0.01130646] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.31840546 0.72245256 -0.01179735] [ 1.26067177 0.67558017 0.02747158] [-1.26067177 -0.67558017 -0.02747158] [ 1.31840546 -0.72245256 0.01179735] [-1.31840546 0.72245256 -0.01179735] [ 1.26067177 0.67558017 0.02747158] [-1.26067177 -0.67558017 -0.02747158] [ 1.31840546 -0.72245256 0.01179735] [ 0.18914825 -0.08939665 0.3019385 ] [-0.18914825 0.08939665 -0.3019385 ] [ 0.18914825 -0.08939665 0.3019385 ] [-0.18914825 0.08939665 -0.3019385 ] [-0.54318046 -0.01773669 0.06952877] [ 0.54318046 0.01773669 -0.06952877] [-0.54318046 -0.01773669 0.06952877] [ 0.54318046 0.01773669 -0.06952877]] Final stress: [ 0.00028345 0.00182137 -0.00257345 0.08206766 0.002167 -0.01130646] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.31840546 0.72245256 -0.01179735] [-1.26067177 0.67558017 0.02747158] [ 1.26067177 -0.67558017 -0.02747158] [-1.31840546 -0.72245256 0.01179735] [ 1.31840546 0.72245256 -0.01179735] [-1.26067177 0.67558017 0.02747158] [ 1.26067177 -0.67558017 -0.02747158] [-1.31840546 -0.72245256 0.01179735] [-0.18914825 -0.08939665 0.3019385 ] [ 0.18914825 0.08939665 -0.3019385 ] [-0.18914825 -0.08939665 0.3019385 ] [ 0.18914825 0.08939665 -0.3019385 ] [ 0.54318046 -0.01773669 0.06952877] [-0.54318046 0.01773669 -0.06952877] [ 0.54318046 -0.01773669 0.06952877] [-0.54318046 0.01773669 -0.06952877]] Final stress: [ 0.00028345 0.00182137 -0.00257345 0.08206766 -0.002167 0.01130646] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00105074 -0.00938978 -0.0008413 ] [ 0.00927163 0.04645097 0.008261 ] [-0.00927163 -0.04645097 -0.008261 ] [ 0.00105074 0.00938978 0.0008413 ] [-0.00105074 -0.00938978 -0.0008413 ] [ 0.00927163 0.04645097 0.008261 ] [-0.00927163 -0.04645097 -0.008261 ] [ 0.00105074 0.00938978 0.0008413 ] [ 0.00559544 0.00602947 -0.01880358] [-0.00559544 -0.00602947 0.01880358] [ 0.00559544 0.00602947 -0.01880358] [-0.00559544 -0.00602947 0.01880358] [-0.00603157 0.02615462 0.01898249] [ 0.00603157 -0.02615462 -0.01898249] [-0.00603157 0.02615462 0.01898249] [ 0.00603157 -0.02615462 -0.01898249]] Final stress: [ 0.00166766 0.00096356 0.00081215 0.00526619 0.0003225 -0.00061932] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00926408 -0.04649809 0.00818078] [-0.00105758 0.00942112 -0.00078445] [ 0.00105758 -0.00942112 0.00078445] [-0.00926408 0.04649809 -0.00818078] [ 0.00926408 -0.04649809 0.00818078] [-0.00105758 0.00942112 -0.00078445] [ 0.00105758 -0.00942112 0.00078445] [-0.00926408 0.04649809 -0.00818078] [-0.00558713 0.00606454 0.01886002] [ 0.00558713 -0.00606454 -0.01886002] [-0.00558713 0.00606454 0.01886002] [ 0.00558713 -0.00606454 -0.01886002] [ 0.00602365 0.02616108 -0.01895492] [-0.00602365 -0.02616108 0.01895492] [ 0.00602365 0.02616108 -0.01895492] [-0.00602365 -0.02616108 0.01895492]] Final stress: [ 0.00166885 0.00096534 0.00081382 -0.00527133 0.00032236 0.00061917] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[-0.00926372 -0.04649805 0.00818008] [ 0.00105798 0.00942102 -0.00078533] [-0.00105798 -0.00942102 0.00078532] [ 0.00926372 0.04649805 -0.00818008] [-0.00926372 -0.04649805 0.00818008] [ 0.00105798 0.00942102 -0.00078533] [-0.00105798 -0.00942102 0.00078533] [ 0.00926372 0.04649805 -0.00818008] [ 0.00558663 0.00606419 0.01885999] [-0.00558663 -0.00606419 -0.01885999] [ 0.00558663 0.00606419 0.01885999] [-0.00558663 -0.00606419 -0.01885999] [-0.00602331 0.02616158 -0.01895497] [ 0.00602331 -0.02616158 0.01895497] [-0.00602331 0.02616158 -0.01895497] [ 0.00602331 -0.02616158 0.01895497]] Final stress: [ 0.00166884 0.00096534 0.00081383 -0.00527134 -0.00032236 -0.00061917] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 8 steps. Final forces: [[ 0.00105767 -0.0094211 -0.00078463] [-0.00926403 0.04649809 0.00818063] [ 0.00926403 -0.04649809 -0.00818063] [-0.00105767 0.0094211 0.00078463] [ 0.00105767 -0.0094211 -0.00078463] [-0.00926403 0.04649809 0.00818063] [ 0.00926403 -0.04649809 -0.00818063] [-0.00105767 0.0094211 0.00078463] [-0.00558704 0.00606446 -0.01886001] [ 0.00558704 -0.00606446 0.01886001] [-0.00558704 0.00606446 -0.01886001] [ 0.00558704 -0.00606446 0.01886001] [ 0.00602359 0.02616118 0.01895493] [-0.00602359 -0.02616119 -0.01895493] [ 0.00602359 0.02616118 0.01895493] [-0.00602359 -0.02616118 -0.01895493]] Final stress: [ 0.00166884 0.00096534 0.00081382 0.00527133 -0.00032236 0.00061917] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 24 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.68902628e-12 -6.48988245e-01 1.44061605e+00] [-1.10857703e-11 -2.12195305e+00 7.06968207e-01] [-3.61569054e-12 2.12195305e+00 -7.06968207e-01] [-8.24089148e-12 6.48988245e-01 -1.44061605e+00] [ 7.86469902e-12 -6.48988245e-01 1.44061605e+00] [ 4.56940041e-12 -2.12195305e+00 7.06968207e-01] [ 1.05092588e-11 2.12195305e+00 -7.06968207e-01] [ 8.94148752e-12 6.48988245e-01 -1.44061605e+00] [-7.08464255e-12 -1.13884886e+00 -8.61838324e-01] [-1.84839210e-12 1.13884886e+00 8.61838324e-01] [ 1.83325002e-12 -1.13884886e+00 -8.61838324e-01] [-3.08800251e-12 1.13884886e+00 8.61838324e-01] [-6.67983897e-13 1.69727663e+00 -7.92724402e-02] [ 2.99875817e-12 -1.69727663e+00 7.92724402e-02] [ 6.50788445e-12 1.69727663e+00 -7.92724402e-02] [ 1.11295256e-12 -1.69727663e+00 7.92724402e-02]] Final stress: [ 5.00074797e-02 -3.36154756e-02 -5.61699738e-02 -1.58262979e-01 -2.98188243e-14 5.78182408e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.14348046e-12 2.12195305e+00 7.06968207e-01] [-4.25561236e-12 6.48988245e-01 1.44061605e+00] [-4.27615950e-12 -6.48988245e-01 -1.44061605e+00] [-8.80023485e-12 -2.12195305e+00 -7.06968207e-01] [ 7.94702520e-12 2.12195305e+00 7.06968207e-01] [ 4.40038370e-12 6.48988245e-01 1.44061605e+00] [ 4.09614649e-12 -6.48988245e-01 -1.44061605e+00] [ 8.20822598e-12 -2.12195305e+00 -7.06968207e-01] [-2.52587274e-12 -1.13884886e+00 8.61838324e-01] [ 2.52973770e-12 1.13884886e+00 -8.61838324e-01] [ 1.71139112e-12 -1.13884886e+00 8.61838324e-01] [ 2.77626316e-12 1.13884886e+00 -8.61838324e-01] [-9.21930934e-13 1.69727663e+00 7.92724402e-02] [-2.01364392e-12 -1.69727663e+00 -7.92724402e-02] [ 1.85635100e-12 1.69727663e+00 7.92724402e-02] [-2.58525167e-12 -1.69727663e+00 -7.92724402e-02]] Final stress: [ 5.00074797e-02 -3.36154756e-02 -5.61699738e-02 1.58262979e-01 9.68060597e-16 2.73841728e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.28043374e-12 -1.25830316e+00 -6.53219732e-01] [-6.16302213e-12 -4.67074411e-01 -5.02064659e-01] [-5.98783469e-12 4.67074411e-01 5.02064659e-01] [-1.57359976e-12 1.25830316e+00 6.53219732e-01] [ 1.76490495e-12 -1.25830316e+00 -6.53219732e-01] [ 6.19098566e-12 -4.67074411e-01 -5.02064659e-01] [ 6.44813478e-12 4.67074411e-01 5.02064659e-01] [ 7.40618569e-12 1.25830316e+00 6.53219732e-01] [-4.55508569e-12 5.77803693e-02 -3.73882103e-01] [-4.95410483e-12 -5.77803694e-02 3.73882103e-01] [ 1.68971477e-12 5.77803694e-02 -3.73882103e-01] [ 2.51419718e-12 -5.77803693e-02 3.73882103e-01] [-1.35867749e-12 -8.94535498e-01 -6.49949348e-02] [-1.92928415e-12 8.94535498e-01 6.49949348e-02] [ 3.58015809e-12 -8.94535498e-01 -6.49949348e-02] [ 4.20618951e-12 8.94535498e-01 6.49949348e-02]] Final stress: [-1.44156433e-02 1.92650276e-02 1.83826094e-02 -1.05472453e-01 -2.69044140e-14 7.03081820e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.25315600e-12 4.67074411e-01 -5.02064659e-01] [-8.18566981e-12 1.25830316e+00 -6.53219732e-01] [-8.65996803e-12 -1.25830316e+00 6.53219732e-01] [-1.08330740e-11 -4.67074411e-01 5.02064659e-01] [ 1.06818478e-11 4.67074411e-01 -5.02064659e-01] [ 9.05454531e-12 1.25830316e+00 -6.53219732e-01] [ 8.09374041e-12 -1.25830316e+00 6.53219732e-01] [ 3.08063319e-12 -4.67074411e-01 5.02064659e-01] [-7.19803774e-12 5.77803693e-02 3.73882103e-01] [-4.33140850e-12 -5.77803693e-02 -3.73882103e-01] [ 5.12515865e-12 5.77803693e-02 3.73882103e-01] [ 2.49079967e-12 -5.77803693e-02 -3.73882103e-01] [-4.09108034e-12 -8.94535498e-01 6.49949348e-02] [-2.37516200e-12 8.94535498e-01 -6.49949348e-02] [ 5.93059197e-12 -8.94535498e-01 6.49949348e-02] [ 3.47873621e-12 8.94535498e-01 -6.49949348e-02]] Final stress: [-1.44156433e-02 1.92650276e-02 1.83826094e-02 1.05472453e-01 3.72665613e-14 -9.18688264e-15] 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 11 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.20796346e-11 -1.62141665e+00 3.58839524e-02] [ 2.71560133e-11 -2.00771712e+00 -8.31575097e-01] [ 2.36635255e-11 2.00771712e+00 8.31575097e-01] [ 1.58586087e-11 1.62141665e+00 -3.58839524e-02] [-1.59849397e-11 -1.62141665e+00 3.58839524e-02] [-2.42331931e-11 -2.00771712e+00 -8.31575097e-01] [-2.76191814e-11 2.00771712e+00 8.31575097e-01] [-1.22711821e-11 1.62141665e+00 -3.58839524e-02] [ 1.84112150e-11 -1.34647700e-01 -1.33238726e+00] [ 1.76107323e-11 1.34647700e-01 1.33238726e+00] [-1.12213897e-11 -1.34647700e-01 -1.33238726e+00] [-1.13144711e-11 1.34647700e-01 1.33238726e+00] [ 8.70675624e-12 -2.64375386e-01 2.10454592e-01] [ 9.29803359e-12 2.64375386e-01 -2.10454592e-01] [-1.56932921e-11 -2.64375386e-01 2.10454592e-01] [-1.44454988e-11 2.64375386e-01 -2.10454592e-01]] Final stress: [-1.25422595e-06 7.11677239e-03 -1.08161972e-02 -1.48978625e-01 -5.05340724e-15 -1.97398242e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.59145632e-11 2.00771712e+00 -8.31575097e-01] [ 1.68902596e-11 1.62141665e+00 3.58839524e-02] [ 1.89674001e-11 -1.62141665e+00 -3.58839524e-02] [ 1.63261427e-11 -2.00771712e+00 8.31575097e-01] [-1.71837210e-11 2.00771712e+00 -8.31575097e-01] [-1.90812891e-11 1.62141665e+00 3.58839524e-02] [-1.71851848e-11 -1.62141665e+00 -3.58839524e-02] [-1.63790012e-11 -2.00771712e+00 8.31575097e-01] [ 1.76844049e-11 -1.34647700e-01 1.33238726e+00] [ 1.79021546e-11 1.34647700e-01 -1.33238726e+00] [-9.39865373e-12 -1.34647700e-01 1.33238726e+00] [-1.13125906e-11 1.34647700e-01 -1.33238726e+00] [ 7.98333838e-12 -2.64375386e-01 -2.10454592e-01] [ 9.55302173e-12 2.64375386e-01 2.10454592e-01] [-1.52421485e-11 -2.64375386e-01 -2.10454592e-01] [-1.54325755e-11 2.64375386e-01 2.10454592e-01]] Final stress: [-1.25422548e-06 7.11677239e-03 -1.08161972e-02 1.48978625e-01 -1.16655826e-14 -8.58898021e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.04304726 -0.3128086 0.02663902] [-0.05035861 -0.32272124 -0.00468943] [ 0.05035861 0.32272124 0.00468943] [ 0.04304726 0.3128086 -0.02663902] [-0.04304726 -0.3128086 0.02663902] [-0.05035861 -0.32272124 -0.00468943] [ 0.05035861 0.32272124 0.00468943] [ 0.04304726 0.3128086 -0.02663902] [ 0.00398953 0.01804009 -0.13598797] [-0.00398953 -0.01804009 0.13598797] [ 0.00398953 0.01804009 -0.13598797] [-0.00398953 -0.01804009 0.13598797] [-0.00150069 -0.03867321 -0.03380394] [ 0.00150069 0.03867321 0.03380394] [-0.00150069 -0.03867321 -0.03380394] [ 0.00150069 0.03867321 0.03380394]] Final stress: [ 1.02137230e-04 8.06264395e-04 -5.58225145e-05 -3.50722065e-02 -6.66786656e-04 2.61982410e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.04304726 -0.3128086 0.02663902] [ 0.05035861 -0.32272124 -0.00468943] [-0.05035861 0.32272124 0.00468943] [-0.04304726 0.3128086 -0.02663902] [ 0.04304726 -0.3128086 0.02663902] [ 0.05035861 -0.32272124 -0.00468943] [-0.05035861 0.32272124 0.00468943] [-0.04304726 0.3128086 -0.02663902] [-0.00398953 0.01804009 -0.13598797] [ 0.00398953 -0.01804009 0.13598797] [-0.00398953 0.01804009 -0.13598797] [ 0.00398953 -0.01804009 0.13598797] [ 0.00150069 -0.03867321 -0.03380394] [-0.00150069 0.03867321 0.03380394] [ 0.00150069 -0.03867321 -0.03380394] [-0.00150069 0.03867321 0.03380394]] Final stress: [ 1.02137230e-04 8.06264395e-04 -5.58225147e-05 -3.50722065e-02 6.66786649e-04 -2.61982411e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.05035862 0.32272124 -0.00468943] [-0.04304726 0.3128086 0.02663902] [ 0.04304726 -0.3128086 -0.02663902] [ 0.05035862 -0.32272124 0.00468943] [-0.05035862 0.32272124 -0.00468943] [-0.04304726 0.3128086 0.02663902] [ 0.04304726 -0.3128086 -0.02663902] [ 0.05035862 -0.32272124 0.00468943] [-0.00398953 0.01804009 0.13598797] [ 0.00398953 -0.01804009 -0.13598797] [-0.00398953 0.01804009 0.13598797] [ 0.00398953 -0.01804009 -0.13598797] [ 0.00150069 -0.03867321 0.03380394] [-0.00150069 0.03867321 -0.03380394] [ 0.00150069 -0.03867321 0.03380394] [-0.00150069 0.03867321 -0.03380394]] Final stress: [ 1.02137227e-04 8.06264397e-04 -5.58225128e-05 3.50722065e-02 -6.66786721e-04 -2.61982408e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.05035861 0.32272124 -0.00468943] [ 0.04304726 0.3128086 0.02663902] [-0.04304726 -0.3128086 -0.02663902] [-0.05035861 -0.32272124 0.00468943] [ 0.05035861 0.32272124 -0.00468943] [ 0.04304726 0.3128086 0.02663902] [-0.04304726 -0.3128086 -0.02663902] [-0.05035861 -0.32272124 0.00468943] [ 0.00398953 0.01804009 0.13598797] [-0.00398953 -0.01804009 -0.13598797] [ 0.00398953 0.01804009 0.13598797] [-0.00398953 -0.01804009 -0.13598797] [-0.00150069 -0.03867321 0.03380394] [ 0.00150069 0.03867321 -0.03380394] [-0.00150069 -0.03867321 0.03380394] [ 0.00150069 0.03867321 -0.03380394]] Final stress: [ 1.02137227e-04 8.06264397e-04 -5.58225131e-05 3.50722065e-02 6.66786708e-04 2.61982409e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.23572162e-01 -4.43711624e-01 7.16934105e-02] [ 8.48360667e-01 -4.58741418e-01 4.53968294e-02] [-8.48360667e-01 4.58741418e-01 -4.53968294e-02] [ 8.23572162e-01 4.43711624e-01 -7.16934105e-02] [-8.23572162e-01 -4.43711624e-01 7.16934106e-02] [ 8.48360667e-01 -4.58741418e-01 4.53968295e-02] [-8.48360667e-01 4.58741418e-01 -4.53968295e-02] [ 8.23572162e-01 4.43711624e-01 -7.16934105e-02] [ 1.24800755e-01 -4.30494014e-04 -1.93669662e-01] [-1.24800755e-01 4.30494016e-04 1.93669662e-01] [ 1.24800755e-01 -4.30494007e-04 -1.93669662e-01] [-1.24800755e-01 4.30494009e-04 1.93669662e-01] [-3.52425750e-01 -4.68055891e-02 -4.89090756e-02] [ 3.52425750e-01 4.68055891e-02 4.89090756e-02] [-3.52425750e-01 -4.68055891e-02 -4.89090756e-02] [ 3.52425750e-01 4.68055891e-02 4.89090756e-02]] Final stress: [ 0.00032433 0.0009521 -0.00156174 -0.05290307 -0.0009167 -0.00738614] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 8.23572162e-01 -4.43711624e-01 7.16934106e-02] [-8.48360667e-01 -4.58741418e-01 4.53968294e-02] [ 8.48360667e-01 4.58741418e-01 -4.53968295e-02] [-8.23572162e-01 4.43711624e-01 -7.16934105e-02] [ 8.23572162e-01 -4.43711624e-01 7.16934106e-02] [-8.48360667e-01 -4.58741418e-01 4.53968295e-02] [ 8.48360667e-01 4.58741418e-01 -4.53968295e-02] [-8.23572162e-01 4.43711624e-01 -7.16934105e-02] [-1.24800755e-01 -4.30494000e-04 -1.93669662e-01] [ 1.24800755e-01 4.30494010e-04 1.93669662e-01] [-1.24800755e-01 -4.30494006e-04 -1.93669662e-01] [ 1.24800755e-01 4.30494008e-04 1.93669662e-01] [ 3.52425750e-01 -4.68055891e-02 -4.89090756e-02] [-3.52425750e-01 4.68055891e-02 4.89090756e-02] [ 3.52425750e-01 -4.68055891e-02 -4.89090756e-02] [-3.52425750e-01 4.68055891e-02 4.89090756e-02]] Final stress: [ 0.00032433 0.0009521 -0.00156174 -0.05290307 0.0009167 0.00738614] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.48360667e-01 4.58741418e-01 4.53968294e-02] [ 8.23572162e-01 4.43711624e-01 7.16934105e-02] [-8.23572162e-01 -4.43711624e-01 -7.16934105e-02] [ 8.48360667e-01 -4.58741418e-01 -4.53968294e-02] [-8.48360667e-01 4.58741418e-01 4.53968294e-02] [ 8.23572162e-01 4.43711624e-01 7.16934105e-02] [-8.23572162e-01 -4.43711624e-01 -7.16934105e-02] [ 8.48360667e-01 -4.58741418e-01 -4.53968294e-02] [ 1.24800755e-01 -4.30494021e-04 1.93669662e-01] [-1.24800755e-01 4.30494016e-04 -1.93669662e-01] [ 1.24800755e-01 -4.30494025e-04 1.93669662e-01] [-1.24800755e-01 4.30494015e-04 -1.93669662e-01] [-3.52425750e-01 -4.68055891e-02 4.89090756e-02] [ 3.52425750e-01 4.68055891e-02 -4.89090756e-02] [-3.52425750e-01 -4.68055890e-02 4.89090756e-02] [ 3.52425750e-01 4.68055891e-02 -4.89090756e-02]] Final stress: [ 0.00032433 0.0009521 -0.00156174 0.05290307 0.0009167 -0.00738614] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 8.48360667e-01 4.58741418e-01 4.53968294e-02] [-8.23572162e-01 4.43711624e-01 7.16934105e-02] [ 8.23572162e-01 -4.43711624e-01 -7.16934105e-02] [-8.48360667e-01 -4.58741418e-01 -4.53968294e-02] [ 8.48360667e-01 4.58741418e-01 4.53968294e-02] [-8.23572162e-01 4.43711624e-01 7.16934105e-02] [ 8.23572162e-01 -4.43711624e-01 -7.16934105e-02] [-8.48360667e-01 -4.58741418e-01 -4.53968294e-02] [-1.24800755e-01 -4.30494017e-04 1.93669662e-01] [ 1.24800755e-01 4.30494013e-04 -1.93669662e-01] [-1.24800755e-01 -4.30494021e-04 1.93669662e-01] [ 1.24800755e-01 4.30494014e-04 -1.93669662e-01] [ 3.52425750e-01 -4.68055891e-02 4.89090756e-02] [-3.52425750e-01 4.68055891e-02 -4.89090756e-02] [ 3.52425750e-01 -4.68055891e-02 4.89090756e-02] [-3.52425750e-01 4.68055891e-02 -4.89090756e-02]] Final stress: [ 0.00032433 0.0009521 -0.00156174 0.05290307 -0.0009167 0.00738614] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 4.96266827e-05 -1.09445474e-03 3.92706907e-03] [ 1.69814671e-03 1.08315889e-02 -1.58122095e-03] [-1.69814677e-03 -1.08315889e-02 1.58122056e-03] [-4.96266485e-05 1.09445475e-03 -3.92706869e-03] [ 4.96266487e-05 -1.09445473e-03 3.92706865e-03] [ 1.69814677e-03 1.08315889e-02 -1.58122070e-03] [-1.69814671e-03 -1.08315889e-02 1.58122099e-03] [-4.96266828e-05 1.09445474e-03 -3.92706893e-03] [ 7.55382875e-05 -2.37960156e-04 -5.34329234e-03] [-7.55383019e-05 2.37960150e-04 5.34329235e-03] [ 7.55382966e-05 -2.37960224e-04 -5.34329233e-03] [-7.55382882e-05 2.37960258e-04 5.34329233e-03] [-6.79973697e-04 6.37475213e-03 2.90270626e-03] [ 6.79973689e-04 -6.37475218e-03 -2.90270626e-03] [-6.79973688e-04 6.37475221e-03 2.90270626e-03] [ 6.79973701e-04 -6.37475222e-03 -2.90270626e-03]] Final stress: [ 0.00050318 0.00020662 0.00018508 0.00139312 0.00017452 -0.0003366 ] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[ 1.69615429e-03 -1.08319207e-02 -1.57816659e-03] [ 5.48181329e-05 1.09465090e-03 3.93023786e-03] [-5.48181447e-05 -1.09465087e-03 -3.93023792e-03] [-1.69615432e-03 1.08319207e-02 1.57816661e-03] [ 1.69615432e-03 -1.08319207e-02 -1.57816645e-03] [ 5.48181450e-05 1.09465089e-03 3.93023806e-03] [-5.48181328e-05 -1.09465088e-03 -3.93023806e-03] [-1.69615429e-03 1.08319207e-02 1.57816643e-03] [-7.69569159e-05 -2.36885451e-04 5.34337204e-03] [ 7.69569054e-05 2.36885421e-04 -5.34337202e-03] [-7.69569036e-05 -2.36885332e-04 5.34337204e-03] [ 7.69569161e-05 2.36885342e-04 -5.34337203e-03] [ 6.80706220e-04 6.37389426e-03 -2.90273353e-03] [-6.80706231e-04 -6.37389431e-03 2.90273354e-03] [ 6.80706230e-04 6.37389419e-03 -2.90273352e-03] [-6.80706222e-04 -6.37389420e-03 2.90273354e-03]] Final stress: [ 0.00050322 0.00020662 0.00018505 -0.00139314 0.00017455 0.00033663] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-1.69743595e-03 -1.08316899e-02 -1.57940426e-03] [-5.21752970e-05 1.09453899e-03 3.92889596e-03] [ 5.21752799e-05 -1.09453901e-03 -3.92889610e-03] [ 1.69743591e-03 1.08316899e-02 1.57940434e-03] [-1.69743591e-03 -1.08316899e-02 -1.57940449e-03] [-5.21752794e-05 1.09453902e-03 3.92889605e-03] [ 5.21752979e-05 -1.09453898e-03 -3.92889584e-03] [ 1.69743595e-03 1.08316899e-02 1.57940428e-03] [ 7.64053185e-05 -2.37011993e-04 5.34330401e-03] [-7.64053395e-05 2.37012003e-04 -5.34330399e-03] [ 7.64053261e-05 -2.37012043e-04 5.34330402e-03] [-7.64053285e-05 2.37012021e-04 -5.34330401e-03] [-6.80530050e-04 6.37387767e-03 -2.90271128e-03] [ 6.80530053e-04 -6.37387763e-03 2.90271131e-03] [-6.80530044e-04 6.37387765e-03 -2.90271129e-03] [ 6.80530062e-04 -6.37387770e-03 2.90271130e-03]] Final stress: [ 0.00050319 0.00020663 0.00018506 -0.00139312 -0.00017454 -0.00033662] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 9 steps. Final forces: [[-4.82177243e-05 -1.09462033e-03 3.92695205e-03] [-1.69989806e-03 1.08318798e-02 -1.58148269e-03] [ 1.69989802e-03 -1.08318798e-02 1.58148279e-03] [ 4.82176486e-05 1.09462033e-03 -3.92695217e-03] [-4.82176486e-05 -1.09462032e-03 3.92695214e-03] [-1.69989802e-03 1.08318798e-02 -1.58148272e-03] [ 1.69989806e-03 -1.08318798e-02 1.58148271e-03] [ 4.82177248e-05 1.09462031e-03 -3.92695216e-03] [-7.59289184e-05 -2.38692341e-04 -5.34337128e-03] [ 7.59288871e-05 2.38692303e-04 5.34337129e-03] [-7.59288912e-05 -2.38692235e-04 -5.34337127e-03] [ 7.59289086e-05 2.38692238e-04 5.34337128e-03] [ 6.80639749e-04 6.37536749e-03 2.90274489e-03] [-6.80639763e-04 -6.37536746e-03 -2.90274488e-03] [ 6.80639771e-04 6.37536742e-03 2.90274488e-03] [-6.80639745e-04 -6.37536741e-03 -2.90274486e-03]] Final stress: [ 0.00050319 0.00020662 0.00018508 0.00139314 -0.00017452 0.00033661] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.84016319e-12 -3.16803697e-01 7.35426078e-01] [-1.24379578e-11 -1.05432362e+00 5.48516500e-01] [-1.28847294e-11 1.05432362e+00 -5.48516500e-01] [-1.23812098e-11 3.16803697e-01 -7.35426078e-01] [ 1.22870871e-11 -3.16803697e-01 7.35426078e-01] [ 1.29990589e-11 -1.05432362e+00 5.48516500e-01] [ 1.23934501e-11 1.05432362e+00 -5.48516500e-01] [ 9.93814493e-12 3.16803697e-01 -7.35426078e-01] [-6.40588385e-12 1.49911883e-01 -3.19020501e-01] [-7.21724677e-12 -1.49911883e-01 3.19020501e-01] [ 6.29177212e-12 1.49911883e-01 -3.19020501e-01] [ 3.29148557e-12 -1.49911883e-01 3.19020501e-01] [-5.12533765e-12 3.06611947e-01 -8.18764077e-02] [-2.40911685e-12 -3.06611947e-01 8.18764077e-02] [ 5.39188758e-12 3.06611947e-01 -8.18764077e-02] [ 6.11890427e-12 -3.06611947e-01 8.18764077e-02]] Final stress: [ 1.27219257e-02 -9.61680025e-03 -1.88638172e-02 -8.47424660e-02 1.29910279e-14 -2.03367171e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.01986983e-11 1.05432362e+00 5.48516500e-01] [-8.12930842e-12 3.16803697e-01 7.35426078e-01] [-1.19172268e-11 -3.16803697e-01 -7.35426078e-01] [-1.11685617e-11 -1.05432362e+00 -5.48516500e-01] [ 1.11665220e-11 1.05432362e+00 5.48516500e-01] [ 1.19271789e-11 3.16803697e-01 7.35426078e-01] [ 8.15495425e-12 -3.16803697e-01 -7.35426078e-01] [ 1.03271376e-11 -1.05432362e+00 -5.48516500e-01] [-4.27687876e-12 1.49911883e-01 3.19020501e-01] [-4.46942483e-12 -1.49911883e-01 -3.19020501e-01] [ 5.01548109e-12 1.49911883e-01 3.19020501e-01] [ 3.42478173e-12 -1.49911883e-01 -3.19020501e-01] [-4.40706586e-12 3.06611947e-01 8.18764078e-02] [-2.45358990e-12 -3.06611947e-01 -8.18764078e-02] [ 3.21949017e-12 3.06611947e-01 8.18764078e-02] [ 3.78488923e-12 -3.06611947e-01 -8.18764078e-02]] Final stress: [ 1.27219257e-02 -9.61680025e-03 -1.88638172e-02 8.47424660e-02 2.30794044e-14 -1.34449991e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.01122701e-12 -7.30238214e-01 -2.70818758e-01] [-6.16252275e-12 -2.54321046e-01 -2.32531155e-01] [-6.25338399e-12 2.54321046e-01 2.32531155e-01] [-1.51282632e-12 7.30238214e-01 2.70818758e-01] [ 1.39198841e-12 -7.30238214e-01 -2.70818758e-01] [ 6.38222548e-12 -2.54321046e-01 -2.32531155e-01] [ 5.90496586e-12 2.54321046e-01 2.32531155e-01] [ 2.12552523e-12 7.30238214e-01 2.70818758e-01] [-2.89770226e-12 5.79385580e-02 -2.11239350e-01] [-3.20215209e-13 -5.79385579e-02 2.11239350e-01] [ 3.14367087e-12 5.79385579e-02 -2.11239350e-01] [ 2.70347156e-12 -5.79385579e-02 2.11239350e-01] [-2.63216749e-12 -5.13607098e-01 -4.68431374e-02] [-2.23350039e-12 5.13607098e-01 4.68431374e-02] [ 2.24912539e-12 -5.13607098e-01 -4.68431374e-02] [ 1.12246340e-13 5.13607098e-01 4.68431374e-02]] Final stress: [-8.01784700e-03 1.00346202e-02 9.98875796e-03 -5.99629053e-02 -1.43434260e-15 9.09383014e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.06738279e-11 2.54321046e-01 -2.32531155e-01] [-4.35383500e-12 7.30238214e-01 -2.70818758e-01] [-4.75062535e-12 -7.30238214e-01 2.70818758e-01] [-5.32058512e-12 -2.54321046e-01 2.32531155e-01] [ 5.00216687e-12 2.54321046e-01 -2.32531155e-01] [ 4.57916170e-12 7.30238214e-01 -2.70818758e-01] [ 4.22659097e-12 -7.30238214e-01 2.70818758e-01] [ 1.03324255e-11 -2.54321046e-01 2.32531155e-01] [-3.13992582e-12 5.79385579e-02 2.11239350e-01] [-1.60763850e-12 -5.79385579e-02 -2.11239350e-01] [ 2.82121462e-12 5.79385579e-02 2.11239350e-01] [ 3.99137407e-12 -5.79385579e-02 -2.11239350e-01] [-2.23552513e-12 -5.13607098e-01 4.68431374e-02] [-2.89942273e-12 5.13607098e-01 -4.68431374e-02] [ 2.55828308e-12 -5.13607098e-01 4.68431374e-02] [ 1.45762306e-12 5.13607098e-01 -4.68431374e-02]] Final stress: [-8.01784700e-03 1.00346202e-02 9.98875796e-03 5.99629053e-02 -2.11094457e-14 1.58862179e-14] 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 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.44549946e-11 -3.40968812e+00 -1.12590311e+00] [-7.89198372e-12 -1.72132899e+00 2.18333768e+00] [-5.98020418e-12 1.72132899e+00 -2.18333768e+00] [-1.56351945e-11 3.40968812e+00 1.12590311e+00] [ 1.47065134e-11 -3.40968812e+00 -1.12590311e+00] [ 6.30584300e-12 -1.72132899e+00 2.18333768e+00] [ 1.39755631e-11 1.72132899e+00 -2.18333768e+00] [ 1.31350573e-11 3.40968812e+00 1.12590311e+00] [-1.58198172e-12 -7.73843440e-02 -8.60570384e-01] [-2.39758742e-11 7.73843440e-02 8.60570384e-01] [ 1.95148932e-12 -7.73843440e-02 -8.60570384e-01] [-1.82742189e-12 7.73843440e-02 8.60570384e-01] [-2.40967402e-13 -2.72856228e+00 1.97115928e-01] [ 2.82579399e-12 2.72856228e+00 -1.97115928e-01] [ 1.13571454e-12 -2.72856228e+00 1.97115928e-01] [ 1.75578822e-11 2.72856228e+00 -1.97115928e-01]] Final stress: [ 3.09197663e-02 9.77025359e-02 3.04936978e-02 -4.89788331e-01 -3.31082580e-15 -6.76878857e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.98132465e-11 1.72132906e+00 2.18333584e+00] [-1.11286711e-11 3.40968749e+00 -1.12590343e+00] [-6.93088349e-12 -3.40968749e+00 1.12590343e+00] [ 2.27822821e-11 -1.72132906e+00 -2.18333584e+00] [-2.81990805e-11 1.72132906e+00 2.18333584e+00] [ 7.83716711e-12 3.40968749e+00 -1.12590343e+00] [ 1.09706567e-11 -3.40968749e+00 1.12590343e+00] [-2.17821497e-11 -1.72132906e+00 -2.18333584e+00] [ 2.62359570e-11 -7.73850287e-02 8.60570316e-01] [ 3.71173448e-11 7.73850287e-02 -8.60570316e-01] [-9.18565332e-12 -7.73850287e-02 8.60570316e-01] [-1.73799542e-11 7.73850288e-02 -8.60570316e-01] [ 2.22115295e-12 -2.72856051e+00 -1.97115728e-01] [ 1.02460840e-11 2.72856051e+00 1.97115728e-01] [-1.69966098e-11 -2.72856051e+00 -1.97115728e-01] [-2.56248146e-11 2.72856051e+00 1.97115728e-01]] Final stress: [ 3.09197707e-02 9.77025094e-02 3.04936890e-02 4.89788210e-01 -2.44932319e-14 -2.45145738e-15] Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.0273404 -0.19697072 0.0312858 ] [-0.03019236 -0.20011636 0.01178278] [ 0.03019236 0.20011636 -0.01178278] [ 0.0273404 0.19697072 -0.0312858 ] [-0.0273404 -0.19697072 0.0312858 ] [-0.03019236 -0.20011636 0.01178278] [ 0.03019236 0.20011636 -0.01178278] [ 0.0273404 0.19697072 -0.0312858 ] [ 0.00155384 0.03502285 -0.08463255] [-0.00155384 -0.03502285 0.08463255] [ 0.00155384 0.03502285 -0.08463255] [-0.00155384 -0.03502285 0.08463255] [-0.0005854 -0.04533682 -0.02135141] [ 0.0005854 0.04533682 0.02135141] [-0.0005854 -0.04533682 -0.02135141] [ 0.0005854 0.04533682 0.02135141]] Final stress: [-2.36820280e-04 5.97070354e-04 4.48254788e-05 -2.19093261e-02 -4.11277698e-04 1.02183214e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.02734041 -0.19697072 0.0312858 ] [ 0.03019236 -0.20011636 0.01178278] [-0.03019236 0.20011636 -0.01178278] [-0.02734041 0.19697072 -0.0312858 ] [ 0.02734041 -0.19697072 0.0312858 ] [ 0.03019236 -0.20011636 0.01178278] [-0.03019236 0.20011636 -0.01178278] [-0.02734041 0.19697072 -0.0312858 ] [-0.00155384 0.03502285 -0.08463255] [ 0.00155384 -0.03502285 0.08463255] [-0.00155384 0.03502285 -0.08463255] [ 0.00155384 -0.03502285 0.08463255] [ 0.0005854 -0.04533682 -0.02135141] [-0.0005854 0.04533682 0.02135141] [ 0.0005854 -0.04533682 -0.02135141] [-0.0005854 0.04533682 0.02135141]] Final stress: [-2.36820286e-04 5.97070356e-04 4.48254830e-05 -2.19093261e-02 4.11277781e-04 -1.02183212e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.03019235 0.20011636 0.01178278] [-0.0273404 0.19697072 0.0312858 ] [ 0.0273404 -0.19697072 -0.0312858 ] [ 0.03019235 -0.20011636 -0.01178278] [-0.03019235 0.20011636 0.01178278] [-0.0273404 0.19697072 0.0312858 ] [ 0.0273404 -0.19697072 -0.0312858 ] [ 0.03019235 -0.20011636 -0.01178278] [-0.00155384 0.03502285 0.08463255] [ 0.00155384 -0.03502285 -0.08463255] [-0.00155384 0.03502285 0.08463255] [ 0.00155384 -0.03502285 -0.08463255] [ 0.0005854 -0.04533682 0.02135141] [-0.0005854 0.04533682 -0.02135141] [ 0.0005854 -0.04533682 0.02135141] [-0.0005854 0.04533682 -0.02135141]] Final stress: [-2.36820274e-04 5.97070351e-04 4.48254747e-05 2.19093261e-02 -4.11277615e-04 -1.02183217e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.03019235 0.20011636 0.01178278] [ 0.0273404 0.19697072 0.0312858 ] [-0.0273404 -0.19697072 -0.0312858 ] [-0.03019235 -0.20011636 -0.01178278] [ 0.03019235 0.20011636 0.01178278] [ 0.0273404 0.19697072 0.0312858 ] [-0.0273404 -0.19697072 -0.0312858 ] [-0.03019235 -0.20011636 -0.01178278] [ 0.00155384 0.03502285 0.08463255] [-0.00155384 -0.03502285 -0.08463255] [ 0.00155384 0.03502285 0.08463255] [-0.00155384 -0.03502285 -0.08463255] [-0.0005854 -0.04533682 0.02135141] [ 0.0005854 0.04533682 -0.02135141] [-0.0005854 -0.04533682 0.02135141] [ 0.0005854 0.04533682 -0.02135141]] Final stress: [-2.36820271e-04 5.97070349e-04 4.48254722e-05 2.19093260e-02 4.11277563e-04 1.02183218e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.58213738 -0.3129219 0.0980536 ] [ 0.59453218 -0.31398969 0.07846818] [-0.59453218 0.31398969 -0.07846818] [ 0.58213738 0.3129219 -0.0980536 ] [-0.58213738 -0.3129219 0.0980536 ] [ 0.59453218 -0.31398969 0.07846818] [-0.59453218 0.31398969 -0.07846818] [ 0.58213738 0.3129219 -0.0980536 ] [ 0.08848173 0.0385293 -0.13584799] [-0.08848173 -0.0385293 0.13584799] [ 0.08848173 0.0385293 -0.13584799] [-0.08848173 -0.0385293 0.13584799] [-0.24710997 -0.06695459 -0.03312155] [ 0.24710997 0.06695459 0.03312155] [-0.24710997 -0.06695459 -0.03312155] [ 0.24710997 0.06695459 0.03312155]] Final stress: [ 0.00033315 0.00066215 -0.00130019 -0.03682362 -0.00044794 -0.00514219] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.58213738 -0.3129219 0.0980536 ] [-0.59453218 -0.31398969 0.07846818] [ 0.59453218 0.31398969 -0.07846818] [-0.58213738 0.3129219 -0.0980536 ] [ 0.58213738 -0.3129219 0.0980536 ] [-0.59453218 -0.31398969 0.07846818] [ 0.59453218 0.31398969 -0.07846818] [-0.58213738 0.3129219 -0.0980536 ] [-0.08848173 0.0385293 -0.13584799] [ 0.08848173 -0.0385293 0.13584799] [-0.08848173 0.0385293 -0.13584799] [ 0.08848173 -0.0385293 0.13584799] [ 0.24710997 -0.06695459 -0.03312155] [-0.24710997 0.06695459 0.03312155] [ 0.24710997 -0.06695459 -0.03312155] [-0.24710997 0.06695459 0.03312155]] Final stress: [ 0.00033315 0.00066215 -0.00130019 -0.03682362 0.00044794 0.00514219] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.59453218 0.31398969 0.07846818] [ 0.58213738 0.3129219 0.0980536 ] [-0.58213738 -0.3129219 -0.0980536 ] [ 0.59453218 -0.31398969 -0.07846818] [-0.59453218 0.31398969 0.07846818] [ 0.58213738 0.3129219 0.0980536 ] [-0.58213738 -0.3129219 -0.0980536 ] [ 0.59453218 -0.31398969 -0.07846818] [ 0.08848173 0.0385293 0.13584799] [-0.08848173 -0.0385293 -0.13584799] [ 0.08848173 0.0385293 0.13584799] [-0.08848173 -0.0385293 -0.13584799] [-0.24710997 -0.06695459 0.03312155] [ 0.24710997 0.06695459 -0.03312155] [-0.24710997 -0.06695459 0.03312155] [ 0.24710997 0.06695459 -0.03312155]] Final stress: [ 0.00033315 0.00066215 -0.00130019 0.03682362 0.00044794 -0.00514219] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.59453218 0.31398969 0.07846818] [-0.58213738 0.3129219 0.0980536 ] [ 0.58213738 -0.3129219 -0.0980536 ] [-0.59453218 -0.31398969 -0.07846818] [ 0.59453218 0.31398969 0.07846818] [-0.58213738 0.3129219 0.0980536 ] [ 0.58213738 -0.3129219 -0.0980536 ] [-0.59453218 -0.31398969 -0.07846818] [-0.08848173 0.0385293 0.13584799] [ 0.08848173 -0.0385293 -0.13584799] [-0.08848173 0.0385293 0.13584799] [ 0.08848173 -0.0385293 -0.13584799] [ 0.24710997 -0.06695459 0.03312155] [-0.24710997 0.06695459 -0.03312155] [ 0.24710997 -0.06695459 0.03312155] [-0.24710997 0.06695459 -0.03312155]] Final stress: [ 0.00033315 0.00066215 -0.00130019 0.03682362 -0.00044794 0.00514219] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00743705 0.17110992 -0.08746023] [ 0.16250999 0.0126101 0.00484318] [-0.16250999 -0.0126101 -0.00484319] [ 0.00743705 -0.17110992 0.08746024] [-0.00743705 0.17110992 -0.08746024] [ 0.16250999 0.0126101 0.0048432 ] [-0.16250999 -0.0126101 -0.00484318] [ 0.00743705 -0.17110992 0.08746022] [ 0.08678122 0.31264272 0.03125843] [-0.08678122 -0.31264273 -0.03125844] [ 0.08678122 0.31264273 0.03125843] [-0.08678122 -0.31264273 -0.03125843] [-0.11105487 0.06399897 0.18745534] [ 0.11105487 -0.06399897 -0.18745534] [-0.11105488 0.06399897 0.18745534] [ 0.11105487 -0.06399897 -0.18745534]] Final stress: [-8.78229347e-05 2.00534662e-03 3.42839786e-03 2.40200034e-02 1.53334317e-03 -2.67602069e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.16165339 -0.01255416 0.00497005] [-0.006841 -0.17105606 -0.08728535] [ 0.006841 0.17105606 0.08728537] [-0.16165339 0.01255416 -0.00497007] [ 0.16165339 -0.01255416 0.00497007] [-0.006841 -0.17105606 -0.08728536] [ 0.006841 0.17105606 0.08728535] [-0.16165339 0.01255416 -0.00497006] [-0.08656253 0.31253208 -0.03120938] [ 0.08656253 -0.31253207 0.03120938] [-0.08656253 0.31253208 -0.03120938] [ 0.08656253 -0.31253207 0.03120938] [ 0.1106971 0.06414514 -0.18731201] [-0.1106971 -0.06414514 0.18731201] [ 0.1106971 0.06414514 -0.18731201] [-0.1106971 -0.06414514 0.18731201]] Final stress: [-8.21939242e-05 2.00250678e-03 3.42410047e-03 -2.40052357e-02 1.53061767e-03 2.67006711e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.16202979 -0.01261329 0.00489652] [ 0.00705895 -0.1711194 -0.08740871] [-0.00705895 0.1711194 0.08740871] [ 0.16202979 0.01261329 -0.00489651] [-0.16202979 -0.01261329 0.0048965 ] [ 0.00705895 -0.1711194 -0.08740872] [-0.00705895 0.1711194 0.08740873] [ 0.16202979 0.01261329 -0.00489651] [ 0.08667356 0.31278126 -0.03121229] [-0.08667357 -0.31278127 0.03121229] [ 0.08667357 0.31278126 -0.03121229] [-0.08667357 -0.31278126 0.03121229] [-0.11087355 0.06410904 -0.18743911] [ 0.11087355 -0.06410904 0.18743911] [-0.11087355 0.06410905 -0.18743911] [ 0.11087355 -0.06410904 0.18743911]] Final stress: [-8.37448183e-05 2.00663889e-03 3.42934283e-03 -2.40223344e-02 -1.53224006e-03 -2.67341212e-03] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00732143 0.17102019 -0.08738673] [-0.16228398 0.01263708 0.0048822 ] [ 0.16228398 -0.01263708 -0.00488221] [-0.00732143 -0.17102019 0.08738674] [ 0.00732143 0.17102019 -0.08738675] [-0.16228398 0.01263708 0.0048822 ] [ 0.16228398 -0.01263708 -0.00488219] [-0.00732143 -0.17102019 0.08738674] [-0.0867052 0.31248558 0.03122597] [ 0.0867052 -0.31248558 -0.03122597] [-0.0867052 0.31248558 0.03122597] [ 0.0867052 -0.31248558 -0.03122597] [ 0.11094828 0.06408124 0.18737372] [-0.11094828 -0.06408124 -0.18737372] [ 0.11094828 0.06408125 0.18737372] [-0.11094828 -0.06408125 -0.18737372]] Final stress: [-8.37609508e-05 2.00466101e-03 3.42661217e-03 2.40118954e-02 -1.53225289e-03 2.67416129e-03] Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 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 3 steps. Final forces: [[-2.65186933e-11 -1.67768170e+00 1.71178122e+00] [-4.91670860e-11 -2.08476098e+00 8.33304410e-01] [-3.52613754e-11 2.08476098e+00 -8.33304410e-01] [-2.81008099e-11 1.67768170e+00 -1.71178122e+00] [ 2.76347266e-11 -1.67768170e+00 1.71178122e+00] [ 3.44053154e-11 -2.08476098e+00 8.33304410e-01] [ 4.82259556e-11 2.08476098e+00 -8.33304410e-01] [ 2.65494946e-11 1.67768170e+00 -1.71178122e+00] [-2.89221607e-11 2.71680603e-01 -1.23444926e+00] [-2.07796922e-11 -2.71680603e-01 1.23444926e+00] [ 2.96962375e-11 2.71680603e-01 -1.23444926e+00] [ 2.68513167e-11 -2.71680603e-01 1.23444926e+00] [-2.25531182e-11 -2.51929426e+00 -7.66696327e-01] [-2.11550857e-11 2.51929426e+00 7.66696327e-01] [ 2.44952701e-11 -2.51929426e+00 -7.66696327e-01] [ 1.45900215e-11 2.51929426e+00 7.66696327e-01]] Final stress: [-4.36686403e-03 2.06000945e-02 -2.25895322e-02 -2.93909895e-01 -3.63730095e-14 2.94509930e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.44314625e-11 2.08476115e+00 8.33304933e-01] [-2.98311443e-11 1.67768180e+00 1.71178191e+00] [-3.67860371e-11 -1.67768180e+00 -1.71178191e+00] [-3.68720107e-11 -2.08476115e+00 -8.33304933e-01] [ 3.50088982e-11 2.08476115e+00 8.33304933e-01] [ 3.67250557e-11 1.67768180e+00 1.71178191e+00] [ 3.00911988e-11 -1.67768180e+00 -1.71178191e+00] [ 3.52222596e-11 -2.08476115e+00 -8.33304933e-01] [-2.43402451e-11 2.71680908e-01 1.23444938e+00] [-2.49143848e-11 -2.71680908e-01 -1.23444938e+00] [ 2.85920125e-11 2.71680908e-01 1.23444938e+00] [ 3.01447461e-11 -2.71680908e-01 -1.23444938e+00] [-2.31161713e-11 -2.51929483e+00 7.66696440e-01] [-2.50425962e-11 2.51929483e+00 -7.66696440e-01] [ 1.84649394e-11 -2.51929483e+00 7.66696440e-01] [ 2.10885675e-11 2.51929483e+00 -7.66696440e-01]] Final stress: [-4.36686302e-03 2.06000968e-02 -2.25895406e-02 2.93909921e-01 4.40377857e-14 -4.67659027e-15] Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.27455907e-11 -2.49564678e-01 6.24451988e-01] [-8.43709933e-12 -7.72250798e-01 5.04996329e-01] [-8.91924165e-12 7.72250798e-01 -5.04996329e-01] [-1.30327476e-11 2.49564678e-01 -6.24451988e-01] [ 1.28356739e-11 -2.49564678e-01 6.24451988e-01] [ 8.47472656e-12 -7.72250798e-01 5.04996329e-01] [ 8.29250698e-12 7.72250798e-01 -5.04996329e-01] [ 1.24578420e-11 2.49564678e-01 -6.24451988e-01] [-2.43290739e-12 1.08981887e-01 -2.41677237e-01] [-2.24573832e-12 -1.08981887e-01 2.41677237e-01] [ 4.20021884e-12 1.08981887e-01 -2.41677237e-01] [ 3.05658103e-12 -1.08981887e-01 2.41677237e-01] [-3.27412229e-12 2.29298584e-01 -5.64122071e-02] [-2.07977824e-12 -2.29298584e-01 5.64122071e-02] [ 2.11820723e-12 2.29298584e-01 -5.64122071e-02] [ 1.73415771e-12 -2.29298584e-01 5.64122071e-02]] Final stress: [ 1.03582354e-02 -8.19320444e-03 -1.53595674e-02 -6.25176710e-02 3.02600575e-15 -3.54716570e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.21347645e-12 7.72250798e-01 5.04996329e-01] [-8.04990037e-12 2.49564678e-01 6.24451988e-01] [-1.34816490e-11 -2.49564678e-01 -6.24451988e-01] [-9.22273802e-12 -7.72250798e-01 -5.04996329e-01] [ 9.34884212e-12 7.72250798e-01 5.04996329e-01] [ 1.35121354e-11 2.49564678e-01 6.24451988e-01] [ 8.18388109e-12 -2.49564678e-01 -6.24451988e-01] [ 8.36405706e-12 -7.72250798e-01 -5.04996329e-01] [-5.15263526e-12 1.08981887e-01 2.41677237e-01] [-4.63403274e-12 -1.08981887e-01 -2.41677237e-01] [ 2.88701116e-12 1.08981887e-01 2.41677237e-01] [ 4.03156718e-12 -1.08981887e-01 -2.41677237e-01] [-2.36900994e-12 2.29298584e-01 5.64122071e-02] [-3.25865225e-12 -2.29298584e-01 -5.64122071e-02] [ 4.24232302e-12 2.29298584e-01 5.64122071e-02] [ 3.81202126e-12 -2.29298584e-01 -5.64122071e-02]] Final stress: [ 1.03582354e-02 -8.19320444e-03 -1.53595674e-02 6.25176710e-02 2.90350029e-14 1.28106418e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.93084857e-12 -4.05372135e-01 -6.68686142e-02] [-9.63306258e-12 -1.29230778e-01 -5.82558310e-02] [-5.79015958e-12 1.29230778e-01 5.82558310e-02] [-1.19414912e-11 4.05372135e-01 6.68686142e-02] [ 1.20412858e-11 -4.05372135e-01 -6.68686142e-02] [ 5.93714704e-12 -1.29230778e-01 -5.82558310e-02] [ 9.75380020e-12 1.29230778e-01 5.82558310e-02] [ 9.01350739e-12 4.05372135e-01 6.68686142e-02] [-4.31863312e-12 2.06389559e-02 -1.11953621e-01] [-7.01125789e-12 -2.06389559e-02 1.11953621e-01] [ 3.18415422e-12 2.06389559e-02 -1.11953621e-01] [ 2.07992434e-12 -2.06389559e-02 1.11953621e-01] [-2.26475262e-12 -2.69439791e-01 -2.98928022e-02] [-1.69984353e-12 2.69439791e-01 2.98928022e-02] [ 3.69856900e-12 -2.69439791e-01 -2.98928022e-02] [ 5.88714250e-12 2.69439791e-01 2.98928022e-02]] Final stress: [-3.13653151e-03 4.60108791e-03 4.22873173e-03 -3.27015621e-02 -3.15005006e-15 -2.25975810e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.70648380e-12 1.29230778e-01 -5.82558310e-02] [-7.38892020e-12 4.05372135e-01 -6.68686142e-02] [-9.17204973e-12 -4.05372135e-01 6.68686142e-02] [-2.41375930e-12 -1.29230778e-01 5.82558310e-02] [ 2.69042449e-12 1.29230778e-01 -5.82558310e-02] [ 9.38235427e-12 4.05372135e-01 -6.68686142e-02] [ 7.55074074e-12 -4.05372135e-01 6.68686142e-02] [ 4.02718549e-12 -1.29230778e-01 5.82558310e-02] [-5.37894946e-12 2.06389559e-02 1.11953621e-01] [-2.80578338e-12 -2.06389559e-02 -1.11953621e-01] [ 1.47319320e-12 2.06389559e-02 1.11953621e-01] [ 3.45392638e-12 -2.06389559e-02 -1.11953621e-01] [-1.42124854e-12 -2.69439791e-01 2.98928022e-02] [-2.95187502e-12 2.69439791e-01 -2.98928022e-02] [ 4.36292860e-12 -2.69439791e-01 2.98928022e-02] [ 2.28214238e-12 2.69439791e-01 -2.98928022e-02]] Final stress: [-3.13653151e-03 4.60108791e-03 4.22873173e-03 3.27015621e-02 2.75874363e-15 2.09363944e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 9.68136758e-12 -2.10779288e+00 -7.63127338e-02] [-1.19884042e-11 -1.22728732e+00 9.26221588e-01] [ 5.57201887e-12 1.22728732e+00 -9.26221588e-01] [ 1.19758327e-11 2.10779288e+00 7.63127338e-02] [-1.19680265e-11 -2.10779288e+00 -7.63127338e-02] [-7.54199958e-12 -1.22728732e+00 9.26221588e-01] [ 1.08234339e-11 1.22728732e+00 -9.26221588e-01] [-1.02238125e-11 2.10779288e+00 7.63127338e-02] [ 2.39619706e-11 1.03649618e+00 -3.70449762e-01] [ 9.10958808e-12 -1.03649618e+00 3.70449762e-01] [-1.60415410e-11 1.03649618e+00 -3.70449762e-01] [-1.84142909e-11 -1.03649618e+00 3.70449762e-01] [ 1.75371081e-11 -2.17153065e+00 -2.42087281e-01] [ 1.71505914e-11 2.17153065e+00 2.42087281e-01] [-2.07264081e-11 -2.17153065e+00 -2.42087281e-01] [-8.90827169e-12 2.17153065e+00 2.42087281e-01]] Final stress: [-2.42751089e-03 4.98857284e-02 1.92209512e-02 -2.65793212e-01 -7.33403722e-14 -6.64538627e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.11727718e-11 1.22728811e+00 9.26224866e-01] [ 9.55166718e-12 2.10779444e+00 -7.63107759e-02] [ 3.50798600e-12 -2.10779444e+00 7.63107759e-02] [ 1.12341178e-11 -1.22728811e+00 -9.26224866e-01] [-1.09714074e-11 1.22728811e+00 9.26224866e-01] [-3.50272545e-12 2.10779444e+00 -7.63107759e-02] [-9.45411447e-12 -2.10779444e+00 7.63107759e-02] [-1.01736143e-11 -1.22728811e+00 -9.26224866e-01] [ 1.72284376e-11 1.03650004e+00 3.70449651e-01] [ 1.25652865e-11 -1.03650004e+00 -3.70449651e-01] [-1.68988854e-11 1.03650004e+00 3.70449651e-01] [-1.76911823e-11 -1.03650004e+00 -3.70449651e-01] [ 1.48007800e-11 -2.17153581e+00 2.42087453e-01] [ 1.48492566e-11 2.17153581e+00 -2.42087453e-01] [-1.55130212e-11 -2.17153581e+00 2.42087453e-01] [-1.07074396e-11 2.17153581e+00 -2.42087453e-01]] Final stress: [-2.42754081e-03 4.98857941e-02 1.92209663e-02 2.65793425e-01 2.62998328e-14 -9.83404664e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 22 steps. Minimization converged after 21 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01680328 -0.12374498 0.03175793] [-0.01791355 -0.12424124 0.01960821] [ 0.01791355 0.12424124 -0.01960821] [ 0.01680328 0.12374498 -0.03175793] [-0.01680328 -0.12374498 0.03175793] [-0.01791355 -0.12424124 0.01960821] [ 0.01791355 0.12424124 -0.01960821] [ 0.01680328 0.12374498 -0.03175793] [ 0.00060304 0.04161434 -0.05275936] [-0.00060304 -0.04161434 0.05275936] [ 0.00060304 0.04161434 -0.05275936] [-0.00060304 -0.04161434 0.05275936] [-0.00022759 -0.04789908 -0.01339916] [ 0.00022759 0.04789908 0.01339916] [-0.00022759 -0.04789908 -0.01339916] [ 0.00022759 0.04789908 0.01339916]] Final stress: [-3.68120982e-04 5.14554494e-04 8.32663550e-05 -1.36818227e-02 -2.46506394e-04 4.00053161e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01680327 -0.12374498 0.03175793] [ 0.01791355 -0.12424124 0.01960821] [-0.01791355 0.12424124 -0.01960821] [-0.01680327 0.12374498 -0.03175793] [ 0.01680327 -0.12374498 0.03175793] [ 0.01791355 -0.12424124 0.01960821] [-0.01791355 0.12424124 -0.01960821] [-0.01680327 0.12374498 -0.03175793] [-0.00060304 0.04161434 -0.05275936] [ 0.00060304 -0.04161434 0.05275936] [-0.00060304 0.04161434 -0.05275936] [ 0.00060304 -0.04161434 0.05275936] [ 0.00022759 -0.04789908 -0.01339916] [-0.00022759 0.04789908 0.01339916] [ 0.00022759 -0.04789908 -0.01339916] [-0.00022759 0.04789908 0.01339916]] Final stress: [-3.68120976e-04 5.14554491e-04 8.32663507e-05 -1.36818227e-02 2.46506344e-04 -4.00053170e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-0.01791354 0.12424124 0.01960821] [-0.01680327 0.12374498 0.03175793] [ 0.01680327 -0.12374498 -0.03175793] [ 0.01791354 -0.12424124 -0.01960821] [-0.01791354 0.12424124 0.01960821] [-0.01680327 0.12374498 0.03175793] [ 0.01680327 -0.12374498 -0.03175793] [ 0.01791354 -0.12424124 -0.01960821] [-0.00060304 0.04161434 0.05275936] [ 0.00060304 -0.04161434 -0.05275936] [-0.00060304 0.04161434 0.05275936] [ 0.00060304 -0.04161434 -0.05275936] [ 0.00022759 -0.04789908 0.01339916] [-0.00022759 0.04789908 -0.01339916] [ 0.00022759 -0.04789908 0.01339916] [-0.00022759 0.04789908 -0.01339916]] Final stress: [-3.68120960e-04 5.14554485e-04 8.32663391e-05 1.36818226e-02 -2.46506212e-04 -4.00053188e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 0.01791355 0.12424124 0.01960821] [ 0.01680328 0.12374498 0.03175793] [-0.01680328 -0.12374498 -0.03175793] [-0.01791355 -0.12424124 -0.01960821] [ 0.01791355 0.12424124 0.01960821] [ 0.01680328 0.12374498 0.03175793] [-0.01680328 -0.12374498 -0.03175793] [-0.01791355 -0.12424124 -0.01960821] [ 0.00060304 0.04161434 0.05275936] [-0.00060304 -0.04161434 -0.05275936] [ 0.00060304 0.04161434 0.05275936] [-0.00060304 -0.04161434 -0.05275936] [-0.00022759 -0.04789908 0.01339916] [ 0.00022759 0.04789908 -0.01339916] [-0.00022759 -0.04789908 0.01339916] [ 0.00022759 0.04789908 -0.01339916]] Final stress: [-3.68120980e-04 5.14554493e-04 8.32663536e-05 1.36818227e-02 2.46506377e-04 4.00053166e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.44240033 -0.23935608 0.12587812] [ 0.44971436 -0.23297326 0.11031025] [-0.44971436 0.23297326 -0.11031025] [ 0.44240033 0.23935608 -0.12587812] [-0.44240033 -0.23935608 0.12587812] [ 0.44971436 -0.23297326 0.11031025] [-0.44971436 0.23297326 -0.11031025] [ 0.44240033 0.23935608 -0.12587812] [ 0.06793644 0.06578073 -0.10396575] [-0.06793644 -0.06578073 0.10396575] [ 0.06793644 0.06578073 -0.10396575] [-0.06793644 -0.06578073 0.10396575] [-0.1885048 -0.08835942 -0.02415151] [ 0.1885048 0.08835942 0.02415151] [-0.1885048 -0.08835942 -0.02415151] [ 0.1885048 0.08835942 0.02415151]] Final stress: [ 0.00035932 0.00060287 -0.00135519 -0.02798243 -0.00025994 -0.00391307] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.44240033 -0.23935608 0.12587812] [-0.44971436 -0.23297326 0.11031025] [ 0.44971436 0.23297326 -0.11031025] [-0.44240033 0.23935608 -0.12587812] [ 0.44240033 -0.23935608 0.12587812] [-0.44971436 -0.23297326 0.11031025] [ 0.44971436 0.23297326 -0.11031025] [-0.44240033 0.23935608 -0.12587812] [-0.06793644 0.06578073 -0.10396575] [ 0.06793644 -0.06578073 0.10396575] [-0.06793644 0.06578073 -0.10396575] [ 0.06793644 -0.06578073 0.10396575] [ 0.1885048 -0.08835942 -0.02415151] [-0.1885048 0.08835942 0.02415151] [ 0.1885048 -0.08835942 -0.02415151] [-0.1885048 0.08835942 0.02415151]] Final stress: [ 0.00035932 0.00060287 -0.00135519 -0.02798243 0.00025994 0.00391307] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.44971436 0.23297326 0.11031025] [ 0.44240033 0.23935608 0.12587812] [-0.44240033 -0.23935608 -0.12587812] [ 0.44971436 -0.23297326 -0.11031025] [-0.44971436 0.23297326 0.11031025] [ 0.44240033 0.23935608 0.12587812] [-0.44240033 -0.23935608 -0.12587812] [ 0.44971436 -0.23297326 -0.11031025] [ 0.06793644 0.06578073 0.10396575] [-0.06793644 -0.06578073 -0.10396575] [ 0.06793644 0.06578073 0.10396575] [-0.06793644 -0.06578073 -0.10396575] [-0.1885048 -0.08835942 0.02415151] [ 0.1885048 0.08835942 -0.02415151] [-0.1885048 -0.08835942 0.02415151] [ 0.1885048 0.08835942 -0.02415151]] Final stress: [ 0.00035932 0.00060287 -0.00135519 0.02798243 0.00025994 -0.00391307] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.44971436 0.23297326 0.11031025] [-0.44240033 0.23935608 0.12587812] [ 0.44240033 -0.23935608 -0.12587812] [-0.44971436 -0.23297326 -0.11031025] [ 0.44971436 0.23297326 0.11031025] [-0.44240033 0.23935608 0.12587812] [ 0.44240033 -0.23935608 -0.12587812] [-0.44971436 -0.23297326 -0.11031025] [-0.06793644 0.06578073 0.10396575] [ 0.06793644 -0.06578073 -0.10396575] [-0.06793644 0.06578073 0.10396575] [ 0.06793644 -0.06578073 -0.10396575] [ 0.1885048 -0.08835942 0.02415151] [-0.1885048 0.08835942 -0.02415151] [ 0.1885048 -0.08835942 0.02415151] [-0.1885048 0.08835942 -0.02415151]] Final stress: [ 0.00035932 0.00060287 -0.00135519 0.02798243 -0.00025994 0.00391307] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00031192 0.00612446 0.0047465 ] [ 0.00865722 0.00164362 -0.00402338] [-0.00865722 -0.00164362 0.00402338] [ 0.00031192 -0.00612446 -0.0047465 ] [-0.00031192 0.00612446 0.0047465 ] [ 0.00865722 0.00164362 -0.00402338] [-0.00865722 -0.00164362 0.00402338] [ 0.00031192 -0.00612446 -0.0047465 ] [ 0.00477082 0.00784566 -0.00163711] [-0.00477082 -0.00784566 0.00163711] [ 0.00477082 0.00784566 -0.00163711] [-0.00477082 -0.00784566 0.00163711] [-0.00599716 0.00189508 0.00566668] [ 0.00599716 -0.00189508 -0.00566668] [-0.00599716 0.00189508 0.00566668] [ 0.00599716 -0.00189508 -0.00566668]] Final stress: [ 1.75811534e-04 5.99567567e-05 9.85999234e-05 1.27055981e-03 1.36374400e-04 -2.53090017e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00866256 -0.00164311 -0.00402102] [-0.00031367 -0.00612515 0.00474997] [ 0.00031367 0.00612515 -0.00474997] [-0.00866256 0.00164311 0.00402102] [ 0.00866256 -0.00164311 -0.00402102] [-0.00031367 -0.00612515 0.00474997] [ 0.00031367 0.00612515 -0.00474997] [-0.00866256 0.00164311 0.00402102] [-0.00477373 0.00783707 0.00163676] [ 0.00477373 -0.00783707 -0.00163676] [-0.00477373 0.00783707 0.00163676] [ 0.00477373 -0.00783707 -0.00163676] [ 0.00600048 0.00189375 -0.00566715] [-0.00600048 -0.00189375 0.00566715] [ 0.00600048 0.00189375 -0.00566715] [-0.00600048 -0.00189375 0.00566715]] Final stress: [ 1.75789003e-04 5.98052038e-05 9.84065578e-05 -1.27060568e-03 1.36406421e-04 2.53147943e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00867147 -0.00163802 -0.00402042] [ 0.00031998 -0.00613082 0.00475073] [-0.00031998 0.00613082 -0.00475073] [ 0.00867146 0.00163802 0.00402042] [-0.00867146 -0.00163802 -0.00402042] [ 0.00031998 -0.00613082 0.00475073] [-0.00031998 0.00613082 -0.00475073] [ 0.00867147 0.00163802 0.00402042] [ 0.00477636 0.00783356 0.00163542] [-0.00477636 -0.00783356 -0.00163542] [ 0.00477636 0.00783356 0.00163542] [-0.00477636 -0.00783356 -0.00163542] [-0.0060038 0.00189002 -0.00566866] [ 0.0060038 -0.00189002 0.00566866] [-0.0060038 0.00189002 -0.00566866] [ 0.0060038 -0.00189002 0.00566866]] Final stress: [ 1.75551717e-04 5.95862711e-05 9.82018678e-05 -1.27067944e-03 -1.36429567e-04 -2.53181802e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00031978 0.006129 0.00474882] [-0.00866752 0.00163973 -0.00402045] [ 0.00866752 -0.00163973 0.00402045] [-0.00031978 -0.006129 -0.00474882] [ 0.00031978 0.006129 0.00474882] [-0.00866752 0.00163973 -0.00402045] [ 0.00866752 -0.00163973 0.00402045] [-0.00031978 -0.006129 -0.00474882] [-0.00477404 0.00783805 -0.0016357 ] [ 0.00477404 -0.00783805 0.0016357 ] [-0.00477404 0.00783805 -0.0016357 ] [ 0.00477404 -0.00783805 0.0016357 ] [ 0.0060011 0.00189505 0.00566828] [-0.0060011 -0.00189505 -0.00566828] [ 0.0060011 0.00189505 0.00566828] [-0.0060011 -0.00189505 -0.00566828]] Final stress: [ 1.75717995e-04 5.97055137e-05 9.83365721e-05 1.27062840e-03 -1.36396157e-04 2.53127542e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.20974476e-11 -9.69331358e-01 7.89433832e-01] [-3.58119055e-11 -9.93502987e-01 5.84741902e-01] [-2.71710783e-11 9.93502987e-01 -5.84741902e-01] [-2.48539635e-11 9.69331358e-01 -7.89433832e-01] [ 2.44676932e-11 -9.69331358e-01 7.89433832e-01] [ 2.70355149e-11 -9.93502987e-01 5.84741902e-01] [ 3.49223736e-11 9.93502987e-01 -5.84741902e-01] [ 2.21972397e-11 9.69331358e-01 -7.89433832e-01] [-2.03034135e-11 4.61364657e-01 -4.48503100e-01] [-1.66907842e-11 -4.61364657e-01 4.48503100e-01] [ 2.71303860e-11 4.61364657e-01 -4.48503100e-01] [ 2.14487824e-11 -4.61364657e-01 4.48503100e-01] [-2.23481116e-11 -1.39453878e+00 -3.33868854e-01] [-1.82292567e-11 1.39453878e+00 3.33868854e-01] [ 1.69357201e-11 -1.39453878e+00 -3.33868854e-01] [ 1.33668539e-11 1.39453878e+00 3.33868854e-01]] Final stress: [-1.02472466e-02 9.55947955e-03 -7.77102610e-03 -1.46474413e-01 -2.21808179e-14 -1.44397838e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.93778095e-11 9.93502278e-01 5.84739599e-01] [-2.20029142e-11 9.69330650e-01 7.89431093e-01] [-2.47453457e-11 -9.69330650e-01 -7.89431093e-01] [-2.96712125e-11 -9.93502278e-01 -5.84739599e-01] [ 3.00374232e-11 9.93502278e-01 5.84739599e-01] [ 2.53448200e-11 9.69330650e-01 7.89431093e-01] [ 2.20846984e-11 -9.69330650e-01 -7.89431093e-01] [ 3.02753697e-11 -9.93502278e-01 -5.84739599e-01] [-2.16279464e-11 4.61362382e-01 4.48502706e-01] [-1.92551712e-11 -4.61362382e-01 -4.48502706e-01] [ 2.52170495e-11 4.61362382e-01 4.48502706e-01] [ 2.07734875e-11 -4.61362382e-01 -4.48502706e-01] [-2.22248010e-11 -1.39453581e+00 3.33868519e-01] [-1.74348880e-11 1.39453581e+00 -3.33868519e-01] [ 1.69751815e-11 -1.39453581e+00 3.33868519e-01] [ 1.56466210e-11 1.39453581e+00 -3.33868519e-01]] Final stress: [-1.02472322e-02 9.55945975e-03 -7.77100532e-03 1.46474310e-01 1.85843859e-14 -2.19830427e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.03519959e-11 -1.92893295e+00 -5.28503124e+00] [-5.44205965e-11 -2.96340785e+00 -4.08208683e+00] [-4.77180151e-11 2.96340785e+00 4.08208683e+00] [-3.14852987e-11 1.92893295e+00 5.28503124e+00] [ 3.10793826e-11 -1.92893295e+00 -5.28503124e+00] [ 6.22901513e-11 -2.96340785e+00 -4.08208683e+00] [ 6.32708315e-11 2.96340785e+00 4.08208683e+00] [ 3.03565075e-11 1.92893295e+00 5.28503124e+00] [-8.47754195e-11 -2.04215178e+00 -8.55587627e-01] [-7.82137610e-11 2.04215178e+00 8.55587627e-01] [ 1.72332876e-11 -2.04215178e+00 -8.55587627e-01] [ 1.58111419e-11 2.04215178e+00 8.55587627e-01] [-1.11248320e-11 2.40129984e+00 6.09672836e-01] [-1.25593268e-11 -2.40129984e+00 -6.09672836e-01] [ 6.69325443e-11 2.40129984e+00 6.09672836e-01] [ 6.36734935e-11 -2.40129984e+00 -6.09672836e-01]] Final stress: [ 1.77597563e-03 3.43172283e-02 3.66558371e-02 -3.63047919e-01 -1.00785559e-14 1.13965865e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.39092116e-11 2.96340785e+00 -4.08208683e+00] [-3.21545848e-11 1.92893295e+00 -5.28503124e+00] [-1.17217946e-10 -1.92893295e+00 5.28503124e+00] [-1.56076324e-11 -2.96340785e+00 4.08208683e+00] [ 2.78748898e-11 2.96340785e+00 -4.08208683e+00] [ 1.15850197e-10 1.92893295e+00 -5.28503124e+00] [ 3.44007375e-11 -1.92893295e+00 5.28503124e+00] [ 4.72415460e-11 -2.96340785e+00 4.08208683e+00] [-9.05065038e-11 -2.04215178e+00 8.55587627e-01] [-7.20566046e-11 2.04215178e+00 -8.55587627e-01] [ 1.07055558e-11 -2.04215178e+00 8.55587627e-01] [ 5.82596614e-11 2.04215178e+00 -8.55587627e-01] [-1.57127362e-11 2.40129984e+00 -6.09672836e-01] [-5.30098576e-11 -2.40129984e+00 6.09672836e-01] [ 7.22464448e-11 2.40129984e+00 -6.09672836e-01] [ 6.36014458e-11 -2.40129984e+00 6.09672836e-01]] Final stress: [1.77597563e-03 3.43172283e-02 3.66558371e-02 3.63047919e-01 3.20071702e-13 3.24254982e-13] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.29380924e-12 -2.24304182e-01 5.78157031e-01] [-5.47228842e-12 -6.52958205e-01 4.68654168e-01] [-7.37826261e-12 6.52958205e-01 -4.68654168e-01] [-3.75070201e-12 2.24304182e-01 -5.78157031e-01] [ 3.91339706e-12 -2.24304182e-01 5.78157031e-01] [ 7.08647637e-12 -6.52958205e-01 4.68654168e-01] [ 5.63116275e-12 6.52958205e-01 -4.68654168e-01] [ 3.14482446e-12 2.24304182e-01 -5.78157031e-01] [ 1.95341746e-12 3.13375660e-02 -2.21940868e-01] [-3.00882843e-12 -3.13375660e-02 2.21940868e-01] [-2.89598857e-13 3.13375660e-02 -2.21940868e-01] [ 2.04580710e-13 -3.13375660e-02 2.21940868e-01] [ 5.17917740e-13 2.36288976e-01 -3.91844237e-02] [ 9.20612057e-14 -2.36288976e-01 3.91844237e-02] [-1.91505713e-12 2.36288976e-01 -3.91844237e-02] [ 2.56700287e-12 -2.36288976e-01 3.91844237e-02]] Final stress: [ 1.01865165e-02 -8.31867499e-03 -1.45739811e-02 -5.22591766e-02 1.01647483e-14 -1.82112032e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.06462493e-12 6.52958205e-01 4.68654168e-01] [-6.33835736e-12 2.24304182e-01 5.78157031e-01] [-4.95132949e-12 -2.24304182e-01 -5.78157031e-01] [-6.32578798e-12 -6.52958205e-01 -4.68654168e-01] [ 6.37860262e-12 6.52958205e-01 4.68654168e-01] [ 4.92490207e-12 2.24304182e-01 5.78157031e-01] [ 6.41136298e-12 -2.24304182e-01 -5.78157031e-01] [ 5.97065951e-12 -6.52958205e-01 -4.68654168e-01] [-8.83406846e-13 3.13375660e-02 2.21940868e-01] [-3.16327086e-12 -3.13375660e-02 -2.21940869e-01] [ 7.63575401e-13 3.13375660e-02 2.21940869e-01] [ 1.03190026e-13 -3.13375660e-02 -2.21940868e-01] [-3.25272795e-13 2.36288976e-01 3.91844237e-02] [ 1.43327434e-13 -2.36288976e-01 -3.91844237e-02] [ 7.04452203e-13 2.36288976e-01 3.91844237e-02] [ 2.64659285e-12 -2.36288976e-01 -3.91844237e-02]] Final stress: [ 1.01865165e-02 -8.31867499e-03 -1.45739811e-02 5.22591766e-02 -5.08286047e-15 -1.33721461e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.88117066e-12 -2.13761597e-01 4.13197202e-02] [-5.90974340e-12 -5.81284181e-02 4.51371992e-02] [-1.17590529e-11 5.81284181e-02 -4.51371992e-02] [-3.87664553e-12 2.13761597e-01 -4.13197202e-02] [ 3.78224112e-12 -2.13761597e-01 4.13197202e-02] [ 1.18811762e-11 -5.81284181e-02 4.51371992e-02] [ 5.84255018e-12 5.81284181e-02 -4.51371992e-02] [ 5.05478949e-12 2.13761597e-01 -4.13197202e-02] [-6.35617687e-12 -1.30189363e-02 -5.36945085e-02] [-2.35168655e-12 1.30189363e-02 5.36945085e-02] [ 3.39913904e-12 -1.30189363e-02 -5.36945085e-02] [ 2.79722859e-12 1.30189363e-02 5.36945085e-02] [-3.04941142e-12 -1.22530481e-01 -1.81250522e-02] [-1.90377922e-12 1.22530481e-01 1.81250522e-02] [ 5.24881382e-12 -1.22530481e-01 -1.81250522e-02] [ 2.08167446e-12 1.22530481e-01 1.81250522e-02]] Final stress: [ 2.34114050e-05 1.52438281e-03 6.66864262e-04 -1.68456322e-02 2.10968662e-14 1.65506523e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.06615494e-11 5.81284181e-02 4.51371992e-02] [-9.27500806e-12 2.13761597e-01 4.13197203e-02] [-4.31915647e-12 -2.13761597e-01 -4.13197202e-02] [-1.05041809e-11 -5.81284181e-02 -4.51371992e-02] [ 1.03914875e-11 5.81284181e-02 4.51371992e-02] [ 4.18978784e-12 2.13761597e-01 4.13197203e-02] [ 9.22553700e-12 -2.13761597e-01 -4.13197202e-02] [ 1.04479776e-11 -5.81284181e-02 -4.51371992e-02] [-2.65868642e-12 -1.30189363e-02 5.36945085e-02] [-3.74812681e-12 1.30189363e-02 -5.36945085e-02] [ 3.82648589e-12 -1.30189363e-02 5.36945085e-02] [ 3.79593188e-12 1.30189363e-02 -5.36945085e-02] [-2.79360172e-12 -1.22530481e-01 1.81250522e-02] [-3.14406018e-12 1.22530481e-01 -1.81250522e-02] [ 2.30929002e-12 -1.22530481e-01 1.81250522e-02] [ 2.91718998e-12 1.22530481e-01 -1.81250522e-02]] Final stress: [ 2.34114051e-05 1.52438281e-03 6.66864262e-04 1.68456322e-02 -2.28548440e-14 -5.33069595e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.74684043e-11 -1.12972664e+00 1.38545782e-01] [-3.03373589e-11 -6.45756975e-01 4.05985071e-01] [-3.03302787e-11 6.45756975e-01 -4.05985071e-01] [-3.15802306e-11 1.12972664e+00 -1.38545782e-01] [ 3.08590068e-11 -1.12972664e+00 1.38545782e-01] [ 2.83968153e-11 -6.45756975e-01 4.05985071e-01] [ 2.86487397e-11 6.45756975e-01 -4.05985071e-01] [ 2.70934972e-11 1.12972664e+00 -1.38545782e-01] [-2.08050441e-11 7.63809741e-01 -2.30867221e-01] [-1.16922010e-12 -7.63809741e-01 2.30867221e-01] [ 2.58089420e-11 7.63809741e-01 -2.30867221e-01] [ 3.03282161e-11 -7.63809741e-01 2.30867221e-01] [-2.21696706e-11 -1.21199381e+00 -1.77790185e-01] [-2.50845363e-11 1.21199381e+00 1.77790185e-01] [ 1.82829125e-11 -1.21199381e+00 -1.77790185e-01] [-4.77579212e-13 1.21199381e+00 1.77790185e-01]] Final stress: [-8.53596204e-03 2.25347008e-02 1.05307318e-02 -1.32802179e-01 1.98354735e-14 9.65817692e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.39564834e-11 6.45756468e-01 4.05983152e-01] [-2.05790135e-11 1.12972571e+00 1.38544118e-01] [-2.05174049e-11 -1.12972571e+00 -1.38544118e-01] [-2.36499908e-11 -6.45756468e-01 -4.05983152e-01] [ 2.35382897e-11 6.45756468e-01 4.05983152e-01] [ 2.04955805e-11 1.12972571e+00 1.38544118e-01] [ 2.07198928e-11 -1.12972571e+00 -1.38544118e-01] [ 2.31214685e-11 -6.45756468e-01 -4.05983152e-01] [-1.74434041e-11 7.63806977e-01 2.30867100e-01] [-2.54279046e-11 -7.63806977e-01 -2.30867100e-01] [ 2.80398285e-11 7.63806977e-01 2.30867100e-01] [ 2.81670603e-11 -7.63806977e-01 -2.30867100e-01] [-2.45502780e-11 -1.21199069e+00 1.77790063e-01] [-2.45320309e-11 1.21199069e+00 -1.77790063e-01] [ 1.46949686e-11 -1.21199069e+00 1.77790063e-01] [ 2.18758853e-11 1.21199069e+00 -1.77790063e-01]] Final stress: [-8.53593724e-03 2.25346645e-02 1.05307250e-02 1.32802077e-01 8.21980223e-16 -3.57551739e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 22 steps. Minimization converged after 22 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.66917542e-03 -7.76200737e-02 3.11347068e-02] [-1.00992166e-02 -7.70657710e-02 2.35835144e-02] [ 1.00992166e-02 7.70657710e-02 -2.35835144e-02] [ 9.66917542e-03 7.76200737e-02 -3.11347068e-02] [-9.66917542e-03 -7.76200737e-02 3.11347068e-02] [-1.00992166e-02 -7.70657710e-02 2.35835144e-02] [ 1.00992166e-02 7.70657710e-02 -2.35835144e-02] [ 9.66917542e-03 7.76200737e-02 -3.11347068e-02] [ 2.31788403e-04 4.40828758e-02 -3.28657130e-02] [-2.31788410e-04 -4.40828758e-02 3.28657130e-02] [ 2.31788409e-04 4.40828758e-02 -3.28657130e-02] [-2.31788410e-04 -4.40828758e-02 3.28657130e-02] [-8.77941217e-05 -4.87962703e-02 -8.38750948e-03] [ 8.77941225e-05 4.87962703e-02 8.38750948e-03] [-8.77941157e-05 -4.87962703e-02 -8.38750948e-03] [ 8.77941219e-05 4.87962703e-02 8.38750948e-03]] Final stress: [-4.16073544e-04 4.80730778e-04 9.61229470e-05 -8.53436934e-03 -1.37016034e-04 1.57520196e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.66918861e-03 -7.76200743e-02 3.11347055e-02] [ 1.00992298e-02 -7.70657719e-02 2.35835128e-02] [-1.00992298e-02 7.70657719e-02 -2.35835128e-02] [-9.66918862e-03 7.76200743e-02 -3.11347055e-02] [ 9.66918862e-03 -7.76200744e-02 3.11347055e-02] [ 1.00992298e-02 -7.70657719e-02 2.35835128e-02] [-1.00992298e-02 7.70657719e-02 -2.35835128e-02] [-9.66918861e-03 7.76200743e-02 -3.11347055e-02] [-2.31788459e-04 4.40828767e-02 -3.28657135e-02] [ 2.31788455e-04 -4.40828767e-02 3.28657135e-02] [-2.31788454e-04 4.40828767e-02 -3.28657135e-02] [ 2.31788457e-04 -4.40828767e-02 3.28657135e-02] [ 8.77941328e-05 -4.87962711e-02 -8.38750940e-03] [-8.77941355e-05 4.87962711e-02 8.38750940e-03] [ 8.77941375e-05 -4.87962711e-02 -8.38750940e-03] [-8.77941341e-05 4.87962711e-02 8.38750940e-03]] Final stress: [-4.16073588e-04 4.80730796e-04 9.61229809e-05 -8.53436941e-03 1.37016269e-04 -1.57520174e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.00992210e-02 7.70657713e-02 2.35835139e-02] [-9.66917983e-03 7.76200739e-02 3.11347064e-02] [ 9.66917983e-03 -7.76200739e-02 -3.11347064e-02] [ 1.00992210e-02 -7.70657713e-02 -2.35835139e-02] [-1.00992210e-02 7.70657713e-02 2.35835139e-02] [-9.66917983e-03 7.76200739e-02 3.11347064e-02] [ 9.66917983e-03 -7.76200739e-02 -3.11347064e-02] [ 1.00992210e-02 -7.70657713e-02 -2.35835139e-02] [-2.31788425e-04 4.40828761e-02 3.28657131e-02] [ 2.31788422e-04 -4.40828761e-02 -3.28657131e-02] [-2.31788424e-04 4.40828761e-02 3.28657131e-02] [ 2.31788423e-04 -4.40828761e-02 -3.28657131e-02] [ 8.77941255e-05 -4.87962706e-02 8.38750946e-03] [-8.77941252e-05 4.87962706e-02 -8.38750946e-03] [ 8.77941269e-05 -4.87962706e-02 8.38750946e-03] [-8.77941245e-05 4.87962706e-02 -8.38750946e-03]] Final stress: [-4.16073559e-04 4.80730784e-04 9.61229583e-05 8.53436937e-03 -1.37016112e-04 -1.57520190e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.00992225e-02 7.70657714e-02 2.35835137e-02] [ 9.66918129e-03 7.76200740e-02 3.11347062e-02] [-9.66918129e-03 -7.76200740e-02 -3.11347062e-02] [-1.00992225e-02 -7.70657714e-02 -2.35835137e-02] [ 1.00992225e-02 7.70657714e-02 2.35835137e-02] [ 9.66918129e-03 7.76200740e-02 3.11347062e-02] [-9.66918129e-03 -7.76200740e-02 -3.11347062e-02] [-1.00992225e-02 -7.70657714e-02 -2.35835137e-02] [ 2.31788427e-04 4.40828762e-02 3.28657132e-02] [-2.31788430e-04 -4.40828762e-02 -3.28657132e-02] [ 2.31788430e-04 4.40828762e-02 3.28657132e-02] [-2.31788428e-04 -4.40828762e-02 -3.28657132e-02] [-8.77941285e-05 -4.87962707e-02 8.38750945e-03] [ 8.77941266e-05 4.87962707e-02 -8.38750945e-03] [-8.77941253e-05 -4.87962707e-02 8.38750945e-03] [ 8.77941278e-05 4.87962707e-02 -8.38750945e-03]] Final stress: [-4.16073564e-04 4.80730786e-04 9.61229621e-05 8.53436937e-03 1.37016138e-04 1.57520188e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.44255736 -0.24807743 0.20107348] [ 0.45062257 -0.23429175 0.18520379] [-0.45062257 0.23429175 -0.18520379] [ 0.44255736 0.24807743 -0.20107348] [-0.44255736 -0.24807743 0.20107348] [ 0.45062257 -0.23429175 0.18520379] [-0.45062257 0.23429175 -0.18520379] [ 0.44255736 0.24807743 -0.20107348] [ 0.07068112 0.11360494 -0.1077847 ] [-0.07068112 -0.11360494 0.1077847 ] [ 0.07068112 0.11360494 -0.1077847 ] [-0.07068112 -0.11360494 0.1077847 ] [-0.19574816 -0.14552798 -0.02492498] [ 0.19574816 0.14552798 0.02492498] [-0.19574816 -0.14552798 -0.02492498] [ 0.19574816 0.14552798 0.02492498]] Final stress: [ 0.00040315 0.00084057 -0.00208508 -0.02937849 -0.00028396 -0.00413051] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.44255736 -0.24807743 0.20107348] [-0.45062257 -0.23429175 0.18520379] [ 0.45062257 0.23429175 -0.18520379] [-0.44255736 0.24807743 -0.20107348] [ 0.44255736 -0.24807743 0.20107348] [-0.45062257 -0.23429175 0.18520379] [ 0.45062257 0.23429175 -0.18520379] [-0.44255736 0.24807743 -0.20107348] [-0.07068112 0.11360494 -0.1077847 ] [ 0.07068112 -0.11360494 0.1077847 ] [-0.07068112 0.11360494 -0.1077847 ] [ 0.07068112 -0.11360494 0.1077847 ] [ 0.19574816 -0.14552798 -0.02492498] [-0.19574816 0.14552798 0.02492498] [ 0.19574816 -0.14552798 -0.02492498] [-0.19574816 0.14552798 0.02492498]] Final stress: [ 0.00040315 0.00084057 -0.00208508 -0.02937849 0.00028396 0.00413051] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-0.45062257 0.23429175 0.18520379] [ 0.44255736 0.24807743 0.20107348] [-0.44255736 -0.24807743 -0.20107348] [ 0.45062257 -0.23429175 -0.18520379] [-0.45062257 0.23429175 0.18520379] [ 0.44255736 0.24807743 0.20107348] [-0.44255736 -0.24807743 -0.20107348] [ 0.45062257 -0.23429175 -0.18520379] [ 0.07068112 0.11360494 0.1077847 ] [-0.07068112 -0.11360494 -0.1077847 ] [ 0.07068112 0.11360494 0.1077847 ] [-0.07068112 -0.11360494 -0.1077847 ] [-0.19574816 -0.14552798 0.02492498] [ 0.19574816 0.14552798 -0.02492498] [-0.19574816 -0.14552798 0.02492498] [ 0.19574816 0.14552798 -0.02492498]] Final stress: [ 0.00040315 0.00084057 -0.00208508 0.02937849 0.00028396 -0.00413051] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 0.45062257 0.23429175 0.18520379] [-0.44255736 0.24807743 0.20107348] [ 0.44255736 -0.24807743 -0.20107348] [-0.45062257 -0.23429175 -0.18520379] [ 0.45062257 0.23429175 0.18520379] [-0.44255736 0.24807743 0.20107348] [ 0.44255736 -0.24807743 -0.20107348] [-0.45062257 -0.23429175 -0.18520379] [-0.07068112 0.11360494 0.1077847 ] [ 0.07068112 -0.11360494 -0.1077847 ] [-0.07068112 0.11360494 0.1077847 ] [ 0.07068112 -0.11360494 -0.1077847 ] [ 0.19574816 -0.14552798 0.02492498] [-0.19574816 0.14552798 -0.02492498] [ 0.19574816 -0.14552798 0.02492498] [-0.19574816 0.14552798 -0.02492498]] Final stress: [ 0.00040315 0.00084057 -0.00208508 0.02937849 -0.00028396 0.00413051] Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.00037693 0.00455174 0.00695019] [ 0.01032516 0.00303366 -0.00305218] [-0.01032516 -0.00303366 0.00305217] [ 0.00037693 -0.00455174 -0.00695018] [-0.00037693 0.00455174 0.00695018] [ 0.01032516 0.00303366 -0.00305216] [-0.01032516 -0.00303366 0.00305218] [ 0.00037693 -0.00455174 -0.00695019] [ 0.00586102 0.00489462 -0.0017998 ] [-0.00586102 -0.00489462 0.0017998 ] [ 0.00586102 0.00489462 -0.0017998 ] [-0.00586102 -0.00489462 0.0017998 ] [-0.00725956 -0.00141229 0.00547096] [ 0.00725956 0.00141229 -0.00547096] [-0.00725956 -0.00141229 0.00547096] [ 0.00725956 0.00141229 -0.00547096]] Final stress: [ 1.55484754e-04 5.77979969e-05 5.89482683e-05 1.27418119e-03 1.27462077e-04 -2.33517113e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.01031837 -0.0030395 -0.00305336] [-0.00036494 -0.00454558 0.00694885] [ 0.00036494 0.00454558 -0.00694883] [-0.01031837 0.0030395 0.00305334] [ 0.01031837 -0.0030395 -0.00305333] [-0.00036494 -0.00454558 0.00694883] [ 0.00036494 0.00454558 -0.00694885] [-0.01031837 0.0030395 0.00305336] [-0.00586199 0.00490211 0.00180043] [ 0.00586199 -0.00490211 -0.00180043] [-0.00586199 0.00490212 0.00180043] [ 0.00586199 -0.00490212 -0.00180043] [ 0.00726013 -0.00140904 -0.00547021] [-0.00726013 0.00140904 0.00547021] [ 0.00726013 -0.00140904 -0.00547021] [-0.00726013 0.00140904 0.00547021]] Final stress: [ 1.55727564e-04 5.80928942e-05 5.92357614e-05 -1.27413821e-03 1.27508314e-04 2.33591692e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-0.01033052 -0.00304022 -0.00305255] [ 0.00038057 -0.00454521 0.00694718] [-0.00038057 0.00454522 -0.00694717] [ 0.01033052 0.00304022 0.00305253] [-0.01033052 -0.00304022 -0.00305254] [ 0.00038057 -0.00454522 0.00694716] [-0.00038057 0.00454521 -0.00694718] [ 0.01033052 0.00304022 0.00305256] [ 0.00586144 0.00490148 0.00179933] [-0.00586144 -0.00490148 -0.00179933] [ 0.00586144 0.00490148 0.00179933] [-0.00586144 -0.00490147 -0.00179933] [-0.00726214 -0.00141335 -0.00547133] [ 0.00726214 0.00141335 0.00547133] [-0.00726214 -0.00141334 -0.00547133] [ 0.00726214 0.00141334 0.00547133]] Final stress: [ 1.55629574e-04 5.81064198e-05 5.92409728e-05 -1.27413473e-03 -1.27477636e-04 -2.33594107e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 0.00038092 0.00454345 0.00694724] [-0.01033488 0.00304212 -0.00305204] [ 0.01033488 -0.00304212 0.00305203] [-0.00038092 -0.00454345 -0.00694723] [ 0.00038092 0.00454345 0.00694724] [-0.01033488 0.00304212 -0.00305203] [ 0.01033488 -0.00304212 0.00305203] [-0.00038092 -0.00454345 -0.00694725] [-0.00586363 0.00490103 -0.00179889] [ 0.00586363 -0.00490103 0.00179889] [-0.00586363 0.00490103 -0.00179889] [ 0.00586363 -0.00490103 0.00179889] [ 0.00726435 -0.00142314 0.0054718 ] [-0.00726435 0.00142314 -0.0054718 ] [ 0.00726435 -0.00142315 0.0054718 ] [-0.00726435 0.00142315 -0.0054718 ]] Final stress: [ 1.55446349e-04 5.81599803e-05 5.92589726e-05 1.27414421e-03 -1.27513390e-04 2.33626758e-04] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.10382308e-11 -4.77156968e-01 3.21683449e-01] [-2.89619153e-11 -4.49265011e-01 2.94114879e-01] [-3.17287010e-11 4.49265011e-01 -2.94114879e-01] [-2.32814757e-11 4.77156968e-01 -3.21683449e-01] [ 2.33218126e-11 -4.77156968e-01 3.21683449e-01] [ 3.17763775e-11 -4.49265011e-01 2.94114879e-01] [ 2.92440171e-11 4.49265011e-01 -2.94114879e-01] [ 2.09059319e-11 4.77156968e-01 -3.21683449e-01] [-2.72886212e-11 2.37163197e-01 -1.74078479e-01] [-3.12779021e-11 -2.37163197e-01 1.74078479e-01] [ 3.12091426e-11 2.37163197e-01 -1.74078479e-01] [ 3.11699412e-11 -2.37163197e-01 1.74078479e-01] [-2.67659718e-11 -6.59998287e-01 -1.34624430e-01] [-2.75225449e-11 6.59998287e-01 1.34624430e-01] [ 2.35070387e-11 -6.59998287e-01 -1.34624430e-01] [ 2.67381616e-11 6.59998288e-01 1.34624430e-01]] Final stress: [-6.93811483e-03 3.60744271e-03 -2.71295071e-03 -6.85968217e-02 2.37248208e-14 -3.71457213e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.10958756e-11 4.49265910e-01 2.94118948e-01] [-2.37413988e-11 4.77158119e-01 3.21687865e-01] [-2.18808729e-11 -4.77158119e-01 -3.21687865e-01] [-1.47160513e-11 -4.49265910e-01 -2.94118948e-01] [ 1.58789612e-11 4.49265910e-01 2.94118948e-01] [ 2.22283212e-11 4.77158119e-01 3.21687865e-01] [ 2.42327243e-11 -4.77158119e-01 -3.21687865e-01] [ 1.19201220e-11 -4.49265910e-01 -2.94118948e-01] [-2.66033042e-11 2.37167003e-01 1.74078985e-01] [-2.98166717e-11 -2.37167003e-01 -1.74078985e-01] [ 2.41150732e-11 2.37167003e-01 1.74078985e-01] [ 2.55326780e-11 -2.37167003e-01 -1.74078985e-01] [-2.13122632e-11 -6.60002831e-01 1.34624728e-01] [-2.35487009e-11 6.60002831e-01 -1.34624728e-01] [ 2.34203674e-11 -6.60002831e-01 1.34624728e-01] [ 2.53978426e-11 6.60002831e-01 -1.34624728e-01]] Final stress: [-6.93813696e-03 3.60747216e-03 -2.71298129e-03 6.85969587e-02 5.33157784e-15 2.72707944e-15] Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.50447934e-11 -2.30571057e-01 4.41314871e-01] [ 1.18209251e-11 -6.73106193e-01 2.92685939e-01] [ 1.57949826e-11 6.73106193e-01 -2.92685939e-01] [ 1.07634327e-11 2.30571057e-01 -4.41314871e-01] [-1.06802502e-11 -2.30571057e-01 4.41314871e-01] [-1.59231148e-11 -6.73106193e-01 2.92685939e-01] [-1.16167317e-11 6.73106193e-01 -2.92685939e-01] [-1.52308212e-11 2.30571057e-01 -4.41314871e-01] [ 1.36505757e-11 -9.08083061e-02 -2.59656401e-01] [ 1.75891047e-11 9.08083061e-02 2.59656401e-01] [-2.10664189e-11 -9.08083061e-02 -2.59656401e-01] [-1.94185740e-11 9.08083061e-02 2.59656401e-01] [ 1.90501647e-11 3.26371999e-01 -2.20003927e-02] [ 1.71187428e-11 -3.26371999e-01 2.20003927e-02] [-1.10058256e-11 3.26371999e-01 -2.20003927e-02] [-1.58903566e-11 -3.26371999e-01 2.20003927e-02]] Final stress: [ 9.32367831e-03 -9.39043596e-03 -1.36346637e-02 -5.07072534e-02 3.37067990e-15 2.98157618e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.23259283e-11 6.73106193e-01 2.92685939e-01] [ 9.59177009e-12 2.30571057e-01 4.41314871e-01] [ 9.03214786e-12 -2.30571057e-01 -4.41314871e-01] [ 1.78333511e-11 -6.73106193e-01 -2.92685939e-01] [-1.79157149e-11 6.73106193e-01 2.92685939e-01] [-8.79900796e-12 2.30571057e-01 4.41314871e-01] [-9.58968235e-12 -2.30571057e-01 -4.41314871e-01] [-1.17188353e-11 -6.73106193e-01 -2.92685939e-01] [ 1.43929979e-11 -9.08083061e-02 2.59656401e-01] [ 1.24853756e-11 9.08083061e-02 -2.59656401e-01] [-1.92775811e-11 -9.08083061e-02 2.59656401e-01] [-1.99192338e-11 9.08083061e-02 -2.59656401e-01] [ 1.70623628e-11 3.26371999e-01 2.20003927e-02] [ 1.76607036e-11 -3.26371999e-01 -2.20003927e-02] [-1.29693626e-11 3.26371999e-01 2.20003927e-02] [-1.02004786e-11 -3.26371999e-01 -2.20003927e-02]] Final stress: [ 9.32367831e-03 -9.39043596e-03 -1.36346637e-02 5.07072534e-02 -2.19650474e-14 -1.14699619e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.31294821e-12 -1.07738803e-01 9.58224600e-02] [-1.35589866e-11 -2.00244287e-02 9.99936268e-02] [-8.25200845e-12 2.00244287e-02 -9.99936268e-02] [-6.58690290e-12 1.07738803e-01 -9.58224600e-02] [ 6.42118813e-12 -1.07738803e-01 9.58224600e-02] [ 8.40567199e-12 -2.00244287e-02 9.99936268e-02] [ 1.33288373e-11 2.00244287e-02 -9.99936268e-02] [ 6.47762074e-12 1.07738803e-01 -9.58224600e-02] [-4.69001964e-12 -3.41360031e-02 -2.22515003e-02] [-3.47345156e-12 3.41360031e-02 2.22515003e-02] [ 5.75277098e-12 -3.41360031e-02 -2.22515003e-02] [ 2.22861096e-12 3.41360031e-02 2.22515003e-02] [-4.63041324e-12 -4.02594986e-02 -1.07065378e-02] [-1.80104767e-12 4.02594986e-02 1.07065378e-02] [ 4.03452639e-12 -4.02594986e-02 -1.07065378e-02] [ 2.65995364e-12 4.02594986e-02 1.07065378e-02]] Final stress: [ 1.83283016e-03 -9.23162339e-05 -1.29984059e-03 -8.10883212e-03 -2.22435367e-14 -1.31147853e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.17086910e-11 2.00244287e-02 9.99936268e-02] [-1.02983566e-11 1.07738803e-01 9.58224600e-02] [-1.22266977e-11 -1.07738803e-01 -9.58224600e-02] [-1.16498798e-11 -2.00244287e-02 -9.99936268e-02] [ 1.14268905e-11 2.00244287e-02 9.99936268e-02] [ 1.20369487e-11 1.07738803e-01 9.58224600e-02] [ 1.01123258e-11 -1.07738803e-01 -9.58224600e-02] [ 1.15157903e-11 -2.00244287e-02 -9.99936268e-02] [-3.63964176e-12 -3.41360031e-02 2.22515003e-02] [-4.04888883e-12 3.41360031e-02 -2.22515003e-02] [ 6.69176617e-12 -3.41360031e-02 2.22515003e-02] [ 6.03299745e-12 3.41360031e-02 -2.22515003e-02] [-5.56791765e-12 -4.02594986e-02 1.07065378e-02] [-4.86397936e-12 4.02594986e-02 -1.07065378e-02] [ 2.86540994e-12 -4.02594986e-02 1.07065378e-02] [ 3.32412640e-12 4.02594986e-02 -1.07065378e-02]] Final stress: [ 1.83283016e-03 -9.23162339e-05 -1.29984059e-03 8.10883212e-03 8.25653076e-15 -3.41378805e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.92685819e-12 -5.41203184e-01 1.06245703e-01] [ 1.42084500e-12 -2.94997489e-01 1.77320899e-01] [-1.99045316e-13 2.94997489e-01 -1.77320899e-01] [-5.52806932e-13 5.41203184e-01 -1.06245703e-01] [ 2.23819672e-12 -5.41203184e-01 1.06245703e-01] [ 7.75546728e-13 -2.94997489e-01 1.77320899e-01] [ 4.97081000e-13 2.94997489e-01 -1.77320899e-01] [ 3.45762676e-12 5.41203184e-01 -1.06245703e-01] [ 3.83947063e-12 3.68741503e-01 -1.20774817e-01] [-1.78958220e-11 -3.68741503e-01 1.20774817e-01] [-5.82683793e-12 3.68741503e-01 -1.20774817e-01] [-6.71948868e-12 -3.68741503e-01 1.20774817e-01] [ 4.76596670e-12 -5.67461285e-01 -9.11382955e-02] [ 5.63866036e-12 5.67461285e-01 9.11382955e-02] [-4.16044532e-12 -5.67461285e-01 -9.11382955e-02] [ 1.56587301e-11 5.67461285e-01 9.11382955e-02]] Final stress: [-5.37465199e-03 9.27829252e-03 4.67905889e-03 -6.14498814e-02 -5.36951277e-15 -9.86084662e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.03014385e-13 2.94998565e-01 1.77324541e-01] [-3.24711980e-12 5.41205089e-01 1.06249288e-01] [-5.52241651e-12 -5.41205089e-01 -1.06249288e-01] [-3.02851494e-13 -2.94998565e-01 -1.77324541e-01] [-2.42022873e-13 2.94998565e-01 1.77324541e-01] [ 5.52685805e-12 5.41205089e-01 1.06249288e-01] [ 2.75618081e-12 -5.41205089e-01 -1.06249288e-01] [ 1.34716240e-13 -2.94998565e-01 -1.77324541e-01] [ 3.04729072e-12 3.68747919e-01 1.20775356e-01] [ 6.72525837e-12 -3.68747919e-01 -1.20775356e-01] [-2.07839843e-12 3.68747919e-01 1.20775356e-01] [-5.05406567e-12 -3.68747919e-01 -1.20775356e-01] [ 2.26346155e-12 -5.67468035e-01 9.11384737e-02] [ 4.61514916e-12 5.67468035e-01 -9.11384737e-02] [-2.51833526e-12 -5.67468035e-01 9.11384737e-02] [-6.21626500e-12 5.67468035e-01 -9.11384737e-02]] Final stress: [-5.37472225e-03 9.27837060e-03 4.67908270e-03 6.14500711e-02 1.06197747e-14 1.63109114e-14] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 6.14405891e-11 -2.62107654e+00 -1.40524181e+00] [ 7.21447290e-11 -4.28185812e+00 -2.78820488e+00] [ 8.66854869e-11 4.28185812e+00 2.78820488e+00] [ 6.31244119e-11 2.62107654e+00 1.40524181e+00] [-6.29518436e-11 -2.62107654e+00 -1.40524181e+00] [-8.91386418e-11 -4.28185812e+00 -2.78820488e+00] [-7.21000753e-11 4.28185812e+00 2.78820488e+00] [-6.17209027e-11 2.62107654e+00 1.40524181e+00] [ 9.45534497e-11 -9.78460268e-01 -2.69150824e+00] [ 8.36244980e-11 9.78460268e-01 2.69150824e+00] [-8.78889260e-11 -9.78460268e-01 -2.69150824e+00] [-8.42864537e-11 9.78460268e-01 2.69150824e+00] [ 7.29547490e-11 -1.06218855e+00 2.82359566e-01] [ 7.03365433e-11 1.06218855e+00 -2.82359566e-01] [-7.76703948e-11 -1.06218855e+00 2.82359566e-01] [-6.91007667e-11 1.06218855e+00 -2.82359566e-01]] Final stress: [-1.19805225e-02 3.27162325e-02 -1.47649144e-02 -3.81595014e-01 -7.35289556e-14 -5.29234228e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 8.77242148e-11 4.28185800e+00 -2.78820472e+00] [ 3.96716640e-11 2.62107649e+00 -1.40524171e+00] [ 5.17813184e-11 -2.62107649e+00 1.40524171e+00] [ 9.09079496e-11 -4.28185800e+00 2.78820472e+00] [-9.25667594e-11 4.28185800e+00 -2.78820472e+00] [-5.23383047e-11 2.62107649e+00 -1.40524171e+00] [-3.93019408e-11 -2.62107649e+00 1.40524171e+00] [-8.75720278e-11 -4.28185800e+00 2.78820472e+00] [ 9.31818865e-11 -9.78460200e-01 2.69150814e+00] [ 8.85392445e-11 9.78460200e-01 -2.69150814e+00] [-8.90594927e-11 -9.78460200e-01 2.69150814e+00] [-8.22970888e-11 9.78460200e-01 -2.69150814e+00] [ 7.25791237e-11 -1.06218854e+00 -2.82359540e-01] [ 6.58817765e-11 1.06218854e+00 2.82359540e-01] [-7.64831966e-11 -1.06218854e+00 -2.82359540e-01] [-7.06545354e-11 1.06218854e+00 2.82359540e-01]] Final stress: [-1.19805215e-02 3.27162322e-02 -1.47649138e-02 3.81595006e-01 -6.84373372e-14 -1.38470186e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.61527248e-03 -4.86052396e-02 3.04778998e-02] [-4.77976926e-03 -4.76021717e-02 2.58188648e-02] [ 4.77976925e-03 4.76021717e-02 -2.58188648e-02] [ 4.61527248e-03 4.86052396e-02 -3.04778998e-02] [-4.61527248e-03 -4.86052396e-02 3.04778998e-02] [-4.77976925e-03 -4.76021717e-02 2.58188648e-02] [ 4.77976926e-03 4.76021717e-02 -2.58188648e-02] [ 4.61527248e-03 4.86052396e-02 -3.04778998e-02] [ 8.69503006e-05 4.47864136e-02 -2.03983564e-02] [-8.69502991e-05 -4.47864136e-02 2.03983564e-02] [ 8.69502990e-05 4.47864136e-02 -2.03983564e-02] [-8.69503011e-05 -4.47864136e-02 2.03983564e-02] [-3.32300243e-05 -4.88919906e-02 -5.24489956e-03] [ 3.32300264e-05 4.88919906e-02 5.24489956e-03] [-3.32300259e-05 -4.88919906e-02 -5.24489956e-03] [ 3.32300245e-05 4.88919906e-02 5.24489956e-03]] Final stress: [-4.26544334e-04 4.63679709e-04 9.58636549e-05 -5.30844715e-03 -5.93195525e-05 6.27790400e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.61526106e-03 -4.86052391e-02 3.04779017e-02] [ 4.77975781e-03 -4.76021709e-02 2.58188669e-02] [-4.77975781e-03 4.76021709e-02 -2.58188669e-02] [-4.61526107e-03 4.86052391e-02 -3.04779017e-02] [ 4.61526106e-03 -4.86052391e-02 3.04779017e-02] [ 4.77975781e-03 -4.76021709e-02 2.58188669e-02] [-4.77975781e-03 4.76021709e-02 -2.58188669e-02] [-4.61526106e-03 4.86052391e-02 -3.04779017e-02] [-8.69502787e-05 4.47864123e-02 -2.03983559e-02] [ 8.69502762e-05 -4.47864123e-02 2.03983559e-02] [-8.69502732e-05 4.47864123e-02 -2.03983559e-02] [ 8.69502748e-05 -4.47864123e-02 2.03983559e-02] [ 3.32300170e-05 -4.88919895e-02 -5.24489963e-03] [-3.32300183e-05 4.88919895e-02 5.24489963e-03] [ 3.32300218e-05 -4.88919895e-02 -5.24489963e-03] [-3.32300196e-05 4.88919895e-02 5.24489963e-03]] Final stress: [-4.26544273e-04 4.63679684e-04 9.58636074e-05 -5.30844709e-03 5.93193490e-05 -6.27790494e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.77975323e-03 4.76021705e-02 2.58188678e-02] [-4.61525650e-03 4.86052389e-02 3.04779024e-02] [ 4.61525649e-03 -4.86052389e-02 -3.04779024e-02] [ 4.77975323e-03 -4.76021705e-02 -2.58188678e-02] [-4.77975323e-03 4.76021705e-02 2.58188678e-02] [-4.61525649e-03 4.86052389e-02 3.04779024e-02] [ 4.61525650e-03 -4.86052389e-02 -3.04779024e-02] [ 4.77975323e-03 -4.76021705e-02 -2.58188678e-02] [-8.69502635e-05 4.47864118e-02 2.03983557e-02] [ 8.69502677e-05 -4.47864118e-02 -2.03983558e-02] [-8.69502643e-05 4.47864118e-02 2.03983558e-02] [ 8.69502652e-05 -4.47864118e-02 -2.03983558e-02] [ 3.32300152e-05 -4.88919891e-02 5.24489966e-03] [-3.32300159e-05 4.88919891e-02 -5.24489966e-03] [ 3.32300144e-05 -4.88919891e-02 5.24489966e-03] [-3.32300181e-05 4.88919891e-02 -5.24489966e-03]] Final stress: [-4.26544249e-04 4.63679674e-04 9.58635886e-05 5.30844707e-03 -5.93192676e-05 -6.27790544e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.77975552e-03 4.76021707e-02 2.58188674e-02] [ 4.61525878e-03 4.86052390e-02 3.04779020e-02] [-4.61525878e-03 -4.86052390e-02 -3.04779020e-02] [-4.77975552e-03 -4.76021707e-02 -2.58188674e-02] [ 4.77975552e-03 4.76021707e-02 2.58188674e-02] [ 4.61525878e-03 4.86052390e-02 3.04779020e-02] [-4.61525878e-03 -4.86052390e-02 -3.04779020e-02] [-4.77975552e-03 -4.76021707e-02 -2.58188674e-02] [ 8.69502658e-05 4.47864121e-02 2.03983558e-02] [-8.69502681e-05 -4.47864121e-02 -2.03983559e-02] [ 8.69502696e-05 4.47864121e-02 2.03983558e-02] [-8.69502715e-05 -4.47864121e-02 -2.03983559e-02] [-3.32300168e-05 -4.88919893e-02 5.24489965e-03] [ 3.32300186e-05 4.88919893e-02 -5.24489965e-03] [-3.32300135e-05 -4.88919893e-02 5.24489965e-03] [ 3.32300155e-05 4.88919893e-02 -5.24489965e-03]] Final stress: [-4.26544261e-04 4.63679679e-04 9.58635981e-05 5.30844708e-03 5.93193083e-05 6.27790547e-07] Minimization converged after 30 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 5 steps. Minimization converged after 5 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 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.92041910e-12 -2.12525811e-01 1.13585548e-01] [-1.38101776e-11 -1.90429391e-01 1.19656357e-01] [-7.49974421e-12 1.90429391e-01 -1.19656357e-01] [-1.28281778e-11 2.12525811e-01 -1.13585548e-01] [ 1.19911028e-11 -2.12525811e-01 1.13585548e-01] [ 7.25633486e-12 -1.90429391e-01 1.19656357e-01] [ 1.25357937e-11 1.90429391e-01 -1.19656357e-01] [ 6.79569465e-12 2.12525811e-01 -1.13585548e-01] [-1.46637303e-11 7.51032053e-02 -6.54653682e-02] [-8.38085244e-12 -7.51032053e-02 6.54653682e-02] [ 1.86615472e-11 7.51032053e-02 -6.54653682e-02] [ 1.75224180e-11 -7.51032053e-02 6.54653682e-02] [-1.58090633e-11 -2.78242253e-01 -5.41622130e-02] [-1.55257508e-11 2.78242253e-01 5.41622130e-02] [ 1.34309749e-11 -2.78242253e-01 -5.41622130e-02] [ 7.24079501e-12 2.78242253e-01 5.41622130e-02]] Final stress: [-3.43333878e-03 1.05991044e-03 -1.12548506e-03 -2.99800244e-02 -2.03732841e-16 1.67906072e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-8.32141344e-12 1.90429293e-01 1.19655184e-01] [-2.68659016e-11 2.12525584e-01 1.13584351e-01] [-6.43207167e-12 -2.12525584e-01 -1.13584351e-01] [-1.23724459e-11 -1.90429293e-01 -1.19655184e-01] [ 1.18630201e-11 1.90429293e-01 1.19655184e-01] [ 6.85278570e-12 2.12525584e-01 1.13584351e-01] [ 2.63717584e-11 -2.12525584e-01 -1.13584351e-01] [ 8.78630740e-12 -1.90429293e-01 -1.19655184e-01] [-1.51622374e-11 7.51025937e-02 6.54652946e-02] [-1.10763005e-11 -7.51025937e-02 -6.54652946e-02] [ 1.51499220e-11 7.51025937e-02 6.54652946e-02] [ 1.31758259e-11 -7.51025937e-02 -6.54652946e-02] [-1.24089415e-11 -2.78241499e-01 5.41621771e-02] [-1.23467234e-11 2.78241499e-01 -5.41621772e-02] [ 1.37120344e-11 -2.78241499e-01 5.41621771e-02] [ 9.07270607e-12 2.78241499e-01 -5.41621772e-02]] Final stress: [-3.43334331e-03 1.05990831e-03 -1.12547204e-03 2.99800027e-02 -7.49197916e-14 -2.41908166e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.65758812e-12 -1.13118797e-01 -3.17943925e-02] [-5.55148939e-12 -1.06298242e-01 -4.80509474e-02] [-2.88539884e-12 1.06298242e-01 4.80509474e-02] [-4.90198160e-12 1.13118797e-01 3.17943925e-02] [ 4.82882777e-12 -1.13118797e-01 -3.17943925e-02] [ 2.59437003e-12 -1.06298242e-01 -4.80509474e-02] [ 5.43630353e-12 1.06298242e-01 4.80509474e-02] [ 4.37478699e-12 1.13118797e-01 3.17943925e-02] [ 3.31910497e-13 -1.88942143e-01 -5.67291239e-02] [-6.04305668e-13 1.88942143e-01 5.67291239e-02] [ 3.01815376e-12 -1.88942143e-01 -5.67291239e-02] [ 3.63367279e-12 1.88942143e-01 5.67291239e-02] [-2.42707156e-12 1.92777428e-01 -4.65051807e-03] [-3.13783610e-12 -1.92777428e-01 4.65051806e-03] [-3.07601384e-13 1.92777428e-01 -4.65051807e-03] [ 2.57309717e-13 -1.92777428e-01 4.65051807e-03]] Final stress: [ 3.58263338e-03 -2.12791810e-03 -1.59682982e-03 -1.23715824e-02 -1.05581999e-14 -2.21300677e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.78604603e-12 1.06298242e-01 -4.80509475e-02] [-4.78214300e-12 1.13118797e-01 -3.17943926e-02] [ 1.15098870e-12 -1.13118797e-01 3.17943925e-02] [-1.80607352e-12 -1.06298242e-01 4.80509475e-02] [ 1.72001931e-12 1.06298242e-01 -4.80509475e-02] [-8.74013969e-13 1.13118797e-01 -3.17943925e-02] [ 4.70499713e-12 -1.13118797e-01 3.17943925e-02] [ 1.97294611e-12 -1.06298242e-01 4.80509475e-02] [-1.49734630e-12 -1.88942143e-01 5.67291239e-02] [-8.64776133e-13 1.88942143e-01 -5.67291239e-02] [ 3.72201412e-12 -1.88942143e-01 5.67291239e-02] [ 2.32969199e-12 1.88942143e-01 -5.67291239e-02] [-3.16726550e-12 1.92777428e-01 4.65051807e-03] [-2.44759614e-12 -1.92777428e-01 -4.65051807e-03] [ 1.21859971e-12 1.92777428e-01 4.65051807e-03] [ 4.12430669e-13 -1.92777428e-01 -4.65051807e-03]] Final stress: [ 3.58263338e-03 -2.12791810e-03 -1.59682982e-03 1.23715824e-02 -2.62860304e-14 -5.15308861e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.25912178e-11 -1.37119360e-01 5.13912984e-02] [ 1.41000341e-11 -4.57866102e-01 -4.91473939e-02] [ 2.15373099e-11 4.57866102e-01 4.91473939e-02] [ 1.98609254e-11 1.37119360e-01 -5.13912984e-02] [-1.96755329e-11 -1.37119360e-01 5.13912984e-02] [-2.16390404e-11 -4.57866102e-01 -4.91473939e-02] [-1.39809101e-11 4.57866102e-01 4.91473939e-02] [-1.27193603e-11 1.37119360e-01 -5.13912984e-02] [ 1.58180348e-11 4.97547746e-02 -1.78753833e-01] [ 1.61097177e-11 -4.97547746e-02 1.78753833e-01] [-1.89903256e-11 4.97547745e-02 -1.78753833e-01] [-1.79222774e-11 -4.97547746e-02 1.78753833e-01] [ 1.65663945e-11 1.07581202e-01 -5.46665174e-03] [ 1.57781830e-11 -1.07581202e-01 5.46665173e-03] [-1.35271576e-11 1.07581202e-01 -5.46665175e-03] [-1.39173505e-11 -1.07581202e-01 5.46665174e-03]] Final stress: [-7.57481045e-04 -3.74842442e-03 -3.39191687e-03 -3.19283734e-02 -6.52552926e-14 4.52770098e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.77964248e-11 4.57866103e-01 -4.91473939e-02] [ 1.78399496e-11 1.37119361e-01 5.13912984e-02] [ 1.80620041e-11 -1.37119361e-01 -5.13912984e-02] [ 1.33290635e-11 -4.57866103e-01 4.91473940e-02] [-1.34394310e-11 4.57866103e-01 -4.91473939e-02] [-1.78795216e-11 1.37119361e-01 5.13912984e-02] [-1.78318138e-11 -1.37119361e-01 -5.13912984e-02] [-1.75361778e-11 -4.57866103e-01 4.91473940e-02] [ 1.58176790e-11 4.97547746e-02 1.78753833e-01] [ 1.77233974e-11 -4.97547746e-02 -1.78753833e-01] [-1.92228075e-11 4.97547745e-02 1.78753833e-01] [-1.94138065e-11 -4.97547746e-02 -1.78753833e-01] [ 1.70405716e-11 1.07581202e-01 5.46665174e-03] [ 1.68297767e-11 -1.07581202e-01 -5.46665175e-03] [-1.36461363e-11 1.07581202e-01 5.46665174e-03] [-1.54721613e-11 -1.07581202e-01 -5.46665175e-03]] Final stress: [-7.57481045e-04 -3.74842442e-03 -3.39191687e-03 3.19283734e-02 1.80920777e-14 5.53056790e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-5.60016940e-10 -4.56223268e+00 4.91512060e+00] [-8.12356938e-09 -1.01927570e+00 5.18358397e+00] [ 3.49149081e-09 1.01927575e+00 -5.18358390e+00] [-6.07409903e-10 4.56223274e+00 -4.91512058e+00] [ 3.53053523e-10 -4.56223232e+00 4.91512187e+00] [-3.72241085e-09 -1.01927521e+00 5.18358548e+00] [ 8.64781395e-09 1.01927529e+00 -5.18358535e+00] [ 7.28494478e-10 4.56223240e+00 -4.91512186e+00] [ 3.50925351e-09 1.50750670e+00 -1.27507426e+00] [-7.59679271e-09 -1.50750679e+00 1.27507419e+00] [ 6.72990121e-09 1.50750767e+00 -1.27507338e+00] [-3.63393166e-09 -1.50750779e+00 1.27507328e+00] [-2.75206886e-09 -5.48012201e+00 -2.29451844e-01] [ 1.22069529e-09 5.48012199e+00 2.29451817e-01] [-1.32495343e-09 -5.48012242e+00 -2.29452093e-01] [ 3.64044894e-09 5.48012238e+00 2.29452044e-01]] Final stress: [ 2.64083065e-01 4.41013528e-02 -1.84664562e-01 -4.59656617e-01 1.12181057e-11 -5.16632700e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[-5.08240327e-09 1.01917354e+00 5.18352771e+00] [-6.94916345e-10 4.56225191e+00 4.91526088e+00] [-8.23997307e-10 -4.56225204e+00 -4.91526094e+00] [-1.47168191e-09 -1.01917367e+00 -5.18352742e+00] [ 1.37117402e-09 1.01917385e+00 5.18352670e+00] [ 6.23395414e-10 4.56225214e+00 4.91526019e+00] [ 8.13163668e-10 -4.56225223e+00 -4.91526009e+00] [ 5.06377255e-09 -1.01917392e+00 -5.18352665e+00] [-4.57007302e-09 1.50744028e+00 1.27509958e+00] [-1.14357145e-09 -1.50744009e+00 -1.27509973e+00] [ 1.18331870e-09 1.50743967e+00 1.27510014e+00] [ 4.54526557e-09 -1.50743952e+00 -1.27510024e+00] [-8.35648782e-10 -5.48010951e+00 2.29574530e-01] [-2.07139833e-09 5.48010957e+00 -2.29574604e-01] [ 2.33818880e-09 -5.48010929e+00 2.29574402e-01] [ 7.55408955e-10 5.48010931e+00 -2.29574444e-01]] Final stress: [ 2.64088283e-01 4.40996732e-02 -1.84671653e-01 4.59649618e-01 3.87298949e-12 1.08868294e-12] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 7.46438707e-12 -1.06658600e-01 1.01334358e-01] [ 2.94897201e-12 -1.62594131e-01 6.34961574e-02] [ 6.09851069e-12 1.62594131e-01 -6.34961574e-02] [ 8.43655614e-12 1.06658600e-01 -1.01334358e-01] [-8.74742802e-12 -1.06658600e-01 1.01334358e-01] [-6.67401637e-12 -1.62594131e-01 6.34961574e-02] [-3.54123024e-12 1.62594131e-01 -6.34961574e-02] [-7.71746989e-12 1.06658600e-01 -1.01334358e-01] [ 1.25731146e-11 -9.70567664e-02 -7.92256456e-02] [ 1.29077200e-11 9.70567664e-02 7.92256456e-02] [-5.58882086e-12 -9.70567664e-02 -7.92256456e-02] [-5.81218277e-12 9.70567664e-02 7.92256456e-02] [ 4.96449800e-12 8.17704648e-02 -2.16219640e-03] [ 5.18213502e-12 -8.17704647e-02 2.16219640e-03] [-1.10541119e-11 8.17704648e-02 -2.16219641e-03] [-1.14390469e-11 -8.17704647e-02 2.16219640e-03]] Final stress: [ 2.67930690e-03 -2.57753129e-03 -3.16076947e-03 -1.41761702e-02 -1.83696731e-14 -2.82602297e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.64035104e-12 1.62594131e-01 6.34961574e-02] [ 3.13194522e-12 1.06658600e-01 1.01334358e-01] [ 3.31939055e-12 -1.06658600e-01 -1.01334358e-01] [ 2.38185686e-12 -1.62594131e-01 -6.34961574e-02] [-2.81067086e-12 1.62594131e-01 6.34961574e-02] [-2.95365251e-12 1.06658600e-01 1.01334358e-01] [-3.34573916e-12 -1.06658600e-01 -1.01334358e-01] [-4.18272947e-12 -1.62594131e-01 -6.34961574e-02] [ 5.69536454e-12 -9.70567664e-02 7.92256456e-02] [ 1.36721650e-11 9.70567664e-02 -7.92256456e-02] [-9.36882505e-12 -9.70567664e-02 7.92256456e-02] [-8.26939038e-12 9.70567664e-02 -7.92256456e-02] [ 8.16944819e-12 8.17704648e-02 2.16219641e-03] [ 7.40223139e-12 -8.17704647e-02 -2.16219641e-03] [-5.24482732e-12 8.17704648e-02 2.16219641e-03] [-1.22303450e-11 -8.17704647e-02 -2.16219641e-03]] Final stress: [ 2.67930690e-03 -2.57753129e-03 -3.16076947e-03 1.41761702e-02 8.55457469e-15 3.23385859e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.01998997e-12 -2.69585162e-01 1.24210825e-01] [-9.96348989e-12 -1.40577392e-01 1.44689604e-01] [-1.49917012e-11 1.40577392e-01 -1.44689604e-01] [ 1.54663869e-12 2.69585162e-01 -1.24210825e-01] [-4.52350397e-13 -2.69585162e-01 1.24210825e-01] [ 1.54187886e-11 -1.40577392e-01 1.44689604e-01] [ 1.09608353e-11 1.40577392e-01 -1.44689604e-01] [-2.34959990e-12 2.69585162e-01 -1.24210825e-01] [-1.02287250e-11 2.60261759e-01 -6.35595883e-02] [-6.51981160e-12 -2.60261759e-01 6.35595883e-02] [-9.97511058e-12 2.60261759e-01 -6.35595883e-02] [-5.71384173e-12 -2.60261759e-01 6.35595883e-02] [ 9.01384219e-12 -3.65991704e-01 -4.41775264e-02] [ 5.86982879e-12 3.65991704e-01 4.41775264e-02] [ 8.85951538e-12 -3.65991704e-01 -4.41775264e-02] [ 5.50044659e-12 3.65991704e-01 4.41775264e-02]] Final stress: [-3.82657445e-03 4.87266521e-03 2.04137917e-03 -2.95915946e-02 2.83295495e-14 3.38283060e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.73406969e-12 1.40577322e-01 1.44690124e-01] [ 6.11224352e-12 2.69585161e-01 1.24211330e-01] [-1.88185155e-11 -2.69585161e-01 -1.24211330e-01] [ 4.55909616e-13 -1.40577322e-01 -1.44690124e-01] [-1.57743935e-13 1.40577322e-01 1.44690124e-01] [ 1.99478173e-11 2.69585161e-01 1.24211330e-01] [-5.77329395e-12 -2.69585161e-01 -1.24211330e-01] [ 7.37857041e-12 -1.40577322e-01 -1.44690124e-01] [-9.51916670e-12 2.60261603e-01 6.35595638e-02] [-4.98649125e-12 -2.60261603e-01 -6.35595638e-02] [-1.02655716e-11 2.60261603e-01 6.35595638e-02] [-9.53597964e-12 -2.60261603e-01 -6.35595638e-02] [ 8.36621050e-12 -3.65991570e-01 4.41775313e-02] [ 9.88598025e-12 3.65991570e-01 -4.41775313e-02] [ 6.88125396e-12 -3.65991570e-01 4.41775313e-02] [ 5.76322971e-12 3.65991570e-01 -4.41775313e-02]] Final stress: [-3.82656239e-03 4.87266052e-03 2.04136853e-03 2.95915915e-02 8.57187536e-14 2.35132960e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.02151490e-12 -5.83023833e-01 4.94903559e-02] [-2.34332909e-12 -6.62302418e-01 -7.56833258e-02] [ 1.47272819e-12 6.62302418e-01 7.56833258e-02] [ 2.44485855e-12 5.83023833e-01 -4.94903558e-02] [-2.57442722e-12 -5.83023833e-01 4.94903559e-02] [-2.33470058e-12 -6.62302418e-01 -7.56833258e-02] [ 1.96193409e-12 6.62302418e-01 7.56833258e-02] [-2.46657512e-12 5.83023833e-01 -4.94903558e-02] [ 9.67024269e-12 4.49915004e-01 -3.29737621e-01] [ 1.47034980e-11 -4.49915004e-01 3.29737621e-01] [-9.26960353e-12 4.49915004e-01 -3.29737621e-01] [-3.46393140e-12 -4.49915004e-01 3.29737621e-01] [ 8.59771022e-12 -5.41235989e-01 -3.33105678e-02] [ 3.40112129e-12 5.41235989e-01 3.33105677e-02] [-8.45336870e-12 -5.41235989e-01 -3.33105678e-02] [-1.33630093e-11 5.41235989e-01 3.33105678e-02]] Final stress: [-1.03003206e-02 7.35627809e-03 4.27833325e-03 -7.16639451e-02 -1.80594211e-14 4.41034950e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.28506048e-12 6.62295797e-01 -7.56697173e-02] [-1.74961825e-12 5.83020217e-01 4.95012231e-02] [ 1.56229706e-12 -5.83020217e-01 -4.95012231e-02] [ 3.83785885e-12 -6.62295797e-01 7.56697174e-02] [-4.00235075e-12 6.62295797e-01 -7.56697173e-02] [-1.45538442e-12 5.83020217e-01 4.95012231e-02] [ 1.58324547e-12 -5.83020217e-01 -4.95012231e-02] [-4.16587229e-12 -6.62295797e-01 7.56697174e-02] [ 7.11380607e-12 4.49909236e-01 3.29733860e-01] [ 1.38719418e-11 -4.49909236e-01 -3.29733860e-01] [-7.92251605e-12 4.49909236e-01 3.29733860e-01] [-4.74103526e-12 -4.49909236e-01 -3.29733860e-01] [ 7.01643821e-12 -5.41230041e-01 3.33111074e-02] [ 3.83865197e-12 5.41230041e-01 -3.33111074e-02] [-6.32276367e-12 -5.41230041e-01 3.33111074e-02] [-1.27606755e-11 5.41230041e-01 -3.33111074e-02]] Final stress: [-1.02999848e-02 7.35613361e-03 4.27808887e-03 7.16634942e-02 -1.44950437e-14 4.54142984e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.62868614e-04 -3.90499497e-02 4.30762877e-02] [-6.46389200e-04 -3.72680851e-02 3.87090574e-02] [ 6.46389206e-04 3.72680851e-02 -3.87090574e-02] [ 5.62868621e-04 3.90499497e-02 -4.30762877e-02] [-5.62868620e-04 -3.90499497e-02 4.30762877e-02] [-6.46389206e-04 -3.72680851e-02 3.87090574e-02] [ 6.46389201e-04 3.72680851e-02 -3.87090574e-02] [ 5.62868614e-04 3.90499497e-02 -4.30762877e-02] [ 4.09766883e-05 6.10667171e-02 -1.72581699e-02] [-4.09766954e-05 -6.10667171e-02 1.72581699e-02] [ 4.09766867e-05 6.10667170e-02 -1.72581699e-02] [-4.09766868e-05 -6.10667170e-02 1.72581699e-02] [-1.66413223e-05 -6.58375781e-02 -3.41927707e-03] [ 1.66413218e-05 6.58375781e-02 3.41927707e-03] [-1.66413234e-05 -6.58375781e-02 -3.41927707e-03] [ 1.66413298e-05 6.58375781e-02 3.41927707e-03]] Final stress: [-5.90440266e-04 5.95175847e-04 7.27025476e-05 -4.22549265e-03 4.38156185e-06 2.91090773e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.62891067e-04 -3.90499503e-02 4.30762817e-02] [ 6.46411693e-04 -3.72680869e-02 3.87090508e-02] [-6.46411689e-04 3.72680869e-02 -3.87090508e-02] [-5.62891067e-04 3.90499503e-02 -4.30762817e-02] [ 5.62891068e-04 -3.90499503e-02 4.30762817e-02] [ 6.46411689e-04 -3.72680869e-02 3.87090508e-02] [-6.46411692e-04 3.72680869e-02 -3.87090508e-02] [-5.62891067e-04 3.90499503e-02 -4.30762817e-02] [-4.09767372e-05 6.10667209e-02 -1.72581708e-02] [ 4.09767287e-05 -6.10667209e-02 1.72581708e-02] [-4.09767331e-05 6.10667209e-02 -1.72581708e-02] [ 4.09767357e-05 -6.10667209e-02 1.72581708e-02] [ 1.66413395e-05 -6.58375815e-02 -3.41927692e-03] [-1.66413421e-05 6.58375815e-02 3.41927692e-03] [ 1.66413434e-05 -6.58375815e-02 -3.41927692e-03] [-1.66413357e-05 6.58375815e-02 3.41927692e-03]] Final stress: [-5.90440457e-04 5.95175925e-04 7.27026973e-05 -4.22549276e-03 -4.38116183e-06 -2.91090519e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.46438677e-04 3.72680892e-02 3.87090428e-02] [-5.62918003e-04 3.90499511e-02 4.30762745e-02] [ 5.62918007e-04 -3.90499511e-02 -4.30762745e-02] [ 6.46438675e-04 -3.72680892e-02 -3.87090428e-02] [-6.46438674e-04 3.72680892e-02 3.87090428e-02] [-5.62918007e-04 3.90499511e-02 4.30762745e-02] [ 5.62918003e-04 -3.90499511e-02 -4.30762745e-02] [ 6.46438677e-04 -3.72680892e-02 -3.87090428e-02] [-4.09767813e-05 6.10667255e-02 1.72581719e-02] [ 4.09767749e-05 -6.10667255e-02 -1.72581719e-02] [-4.09767801e-05 6.10667255e-02 1.72581719e-02] [ 4.09767801e-05 -6.10667255e-02 -1.72581719e-02] [ 1.66413528e-05 -6.58375855e-02 3.41927675e-03] [-1.66413530e-05 6.58375855e-02 -3.41927676e-03] [ 1.66413539e-05 -6.58375855e-02 3.41927676e-03] [-1.66413483e-05 6.58375855e-02 -3.41927676e-03]] Final stress: [-5.90440685e-04 5.95176018e-04 7.27028768e-05 4.22549288e-03 4.38068182e-06 -2.91090350e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 6.46443174e-04 3.72680895e-02 3.87090415e-02] [ 5.62922497e-04 3.90499512e-02 4.30762733e-02] [-5.62922501e-04 -3.90499512e-02 -4.30762733e-02] [-6.46443164e-04 -3.72680895e-02 -3.87090415e-02] [ 6.46443163e-04 3.72680895e-02 3.87090415e-02] [ 5.62922501e-04 3.90499512e-02 4.30762733e-02] [-5.62922497e-04 -3.90499512e-02 -4.30762733e-02] [-6.46443174e-04 -3.72680895e-02 -3.87090415e-02] [ 4.09767896e-05 6.10667263e-02 1.72581721e-02] [-4.09767838e-05 -6.10667263e-02 -1.72581721e-02] [ 4.09767897e-05 6.10667263e-02 1.72581721e-02] [-4.09767883e-05 -6.10667263e-02 -1.72581721e-02] [-1.66413575e-05 -6.58375862e-02 3.41927672e-03] [ 1.66413561e-05 6.58375862e-02 -3.41927673e-03] [-1.66413572e-05 -6.58375862e-02 3.41927672e-03] [ 1.66413521e-05 6.58375862e-02 -3.41927673e-03]] Final stress: [-5.90440724e-04 5.95176034e-04 7.27029068e-05 4.22549291e-03 -4.38060182e-06 2.91090305e-07] Minimization converged after 29 steps. Minimization converged after 29 steps. Minimization converged after 30 steps. Minimization converged after 30 steps. Minimization converged after 5 steps. Minimization converged after 5 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. 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]: [[ 14.68116 2.84528 3.82935 0. 0. 0. ] [ 2.84528 11.19054 2.68318 -0. 0. 0. ] [ 3.82935 2.68318 14.53781 0. -0. -0. ] [ 0. -0. 0. -38.25667 -0. 0. ] [ 0. 0. -0. -0. 0.34361 0. ] [ 0. 0. -0. 0. 0. -0.66697]] 95%% Error estimate [ASE units]: [[ 0.00001 0. 0.00005 0. 0. 0. ] [ 0. 0. 0. 0. 0. 0. ] [ 0.00005 0. 0. 0. 0. 0. ] [ 0. 0. 0. 3712.70352 0. 0. ] [ 0. 0. 0. 0. 0.00001 0. ] [ 0. 0. 0. 0. 0. 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 1856.351760 is too big compared to maximum elastic constant component 38.256672 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000002 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 4 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. Minimization converged after 6 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 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 2 steps. Final forces: [[ 4.87023099e-11 -1.90127585e+00 -9.62041534e-01] [ 7.30617953e-11 -2.76905947e+00 -1.78680188e+00] [ 6.88151706e-11 2.76905947e+00 1.78680188e+00] [ 5.74116856e-11 1.90127585e+00 9.62041534e-01] [-5.75391335e-11 -1.90127585e+00 -9.62041534e-01] [-6.95754825e-11 -2.76905947e+00 -1.78680188e+00] [-7.51237109e-11 2.76905947e+00 1.78680188e+00] [-4.87904626e-11 1.90127585e+00 9.62041534e-01] [ 6.55057291e-11 2.43664369e-01 -1.55890382e+00] [ 8.34253682e-11 -2.43664369e-01 1.55890382e+00] [-6.90490972e-11 2.43664369e-01 -1.55890382e+00] [-5.34730784e-11 -2.43664369e-01 1.55890382e+00] [ 5.79222044e-11 -1.16756973e+00 6.34286977e-02] [ 4.57003485e-11 1.16756973e+00 -6.34286977e-02] [-5.64317349e-11 -1.16756973e+00 6.34286977e-02] [-7.05639929e-11 1.16756973e+00 -6.34286977e-02]] Final stress: [-2.68338442e-02 2.73845804e-02 6.30580963e-03 -2.55373198e-01 -2.39818621e-14 1.23267841e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 6.78296394e-11 2.76905947e+00 -1.78680188e+00] [ 4.90063942e-11 1.90127585e+00 -9.62041534e-01] [ 4.60147674e-11 -1.90127585e+00 9.62041534e-01] [ 6.36448646e-11 -2.76905947e+00 1.78680188e+00] [-6.56466987e-11 2.76905947e+00 -1.78680188e+00] [-4.68900682e-11 1.90127585e+00 -9.62041534e-01] [-4.91973578e-11 -1.90127585e+00 9.62041534e-01] [-7.20150133e-11 -2.76905947e+00 1.78680188e+00] [ 7.09334778e-11 2.43664369e-01 1.55890382e+00] [ 8.44194107e-11 -2.43664369e-01 -1.55890382e+00] [-7.11698030e-11 2.43664369e-01 1.55890382e+00] [-4.97192790e-11 -2.43664369e-01 -1.55890382e+00] [ 6.19268686e-11 -1.16756973e+00 -6.34286977e-02] [ 4.17895558e-11 1.16756973e+00 6.34286976e-02] [-5.85368222e-11 -1.16756973e+00 -6.34286977e-02] [-7.23899434e-11 1.16756973e+00 6.34286977e-02]] Final stress: [-2.68338442e-02 2.73845804e-02 6.30580963e-03 2.55373198e-01 1.20761827e-14 1.66623773e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.60322742e-12 -3.95031816e-01 9.59224729e-02] [-2.85959516e-12 -4.31131544e-01 2.29619610e-02] [-5.40090975e-12 4.31131544e-01 -2.29619610e-02] [-4.00867360e-12 3.95031816e-01 -9.59224729e-02] [ 3.39314774e-12 -3.95031816e-01 9.59224729e-02] [ 5.06552005e-12 -4.31131544e-01 2.29619610e-02] [ 1.96985917e-12 4.31131544e-01 -2.29619610e-02] [ 1.37287187e-12 3.95031816e-01 -9.59224729e-02] [ 2.07207645e-12 3.58781745e-01 -2.12651144e-01] [ 9.37681790e-12 -3.58781745e-01 2.12651144e-01] [-2.96819524e-12 3.58781745e-01 -2.12651144e-01] [-3.96749864e-12 -3.58781745e-01 2.12651144e-01] [ 3.06853978e-12 -4.09894094e-01 -2.53977928e-02] [ 4.38637391e-12 4.09894094e-01 2.53977928e-02] [-1.76915935e-12 -4.09894094e-01 -2.53977928e-02] [-8.12513674e-12 4.09894094e-01 2.53977928e-02]] Final stress: [-7.21260972e-03 4.93086600e-03 2.70690425e-03 -4.79141713e-02 2.21833171e-14 2.17380058e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.20009916e-12 4.31130384e-01 2.29646022e-02] [-1.83183026e-12 3.95031197e-01 9.59246515e-02] [ 2.43694496e-13 -3.95031197e-01 -9.59246515e-02] [ 3.07062709e-12 -4.31130384e-01 -2.29646022e-02] [-3.28789990e-12 4.31130384e-01 2.29646022e-02] [-6.27111210e-14 3.95031197e-01 9.59246515e-02] [ 1.61696383e-12 -3.95031197e-01 -9.59246515e-02] [-1.04119946e-12 -4.31130384e-01 -2.29646021e-02] [ 6.96860321e-12 3.58780450e-01 2.12650496e-01] [ 9.20616534e-12 -3.58780450e-01 -2.12650496e-01] [-4.79781167e-12 3.58780450e-01 2.12650496e-01] [-4.80771542e-12 -3.58780450e-01 -2.12650496e-01] [ 4.09563442e-12 -4.09892855e-01 2.53978834e-02] [ 4.24483024e-12 4.09892855e-01 -2.53978834e-02] [-6.46636890e-12 -4.09892855e-01 2.53978834e-02] [-8.36283592e-12 4.09892855e-01 -2.53978834e-02]] Final stress: [-7.21254027e-03 4.93083689e-03 2.70685191e-03 4.79140933e-02 -1.69639617e-14 7.44372546e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.86444533e-12 -1.17169671e-01 3.14768130e-02] [ 3.02821700e-12 -1.29070092e-01 1.05845109e-02] [ 2.20908090e-12 1.29070092e-01 -1.05845109e-02] [ 4.33582423e-12 1.17169671e-01 -3.14768130e-02] [-4.48894123e-12 -1.17169671e-01 3.14768130e-02] [-2.71900774e-12 -1.29070092e-01 1.05845109e-02] [-3.24903819e-12 1.29070092e-01 -1.05845109e-02] [-4.10803292e-12 1.17169671e-01 -3.14768130e-02] [ 6.85206514e-12 1.92032682e-01 -6.27755872e-02] [ 6.14415463e-12 -1.92032682e-01 6.27755872e-02] [-2.16078056e-12 1.92032682e-01 -6.27755872e-02] [-1.89533328e-12 -1.92032682e-01 6.27755872e-02] [ 1.83333166e-12 -2.02185923e-01 -7.03718911e-03] [ 1.73822545e-12 2.02185923e-01 7.03718911e-03] [-5.91457859e-12 -2.02185923e-01 -7.03718911e-03] [-5.47703487e-12 2.02185923e-01 7.03718911e-03]] Final stress: [-4.01115254e-03 2.34821897e-03 1.88517753e-03 -1.39558015e-02 1.20559163e-15 1.14649181e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.07281393e-12 1.29070092e-01 1.05845109e-02] [ 1.89171790e-12 1.17169671e-01 3.14768130e-02] [-1.52417402e-12 -1.17169671e-01 -3.14768130e-02] [ 5.60132756e-12 -1.29070092e-01 -1.05845109e-02] [-5.47896960e-12 1.29070092e-01 1.05845109e-02] [ 1.37375788e-12 1.17169671e-01 3.14768130e-02] [-1.78610880e-12 -1.17169671e-01 -3.14768130e-02] [ 1.02374337e-12 -1.29070092e-01 -1.05845109e-02] [ 5.59977498e-12 1.92032682e-01 6.27755872e-02] [ 4.76796640e-12 -1.92032682e-01 -6.27755872e-02] [-4.25192065e-12 1.92032682e-01 6.27755872e-02] [-3.70774158e-12 -1.92032682e-01 -6.27755872e-02] [ 3.41031543e-12 -2.02185923e-01 7.03718912e-03] [ 3.64527118e-12 2.02185923e-01 -7.03718912e-03] [-5.41357436e-12 -2.02185923e-01 7.03718912e-03] [-4.07458339e-12 2.02185923e-01 -7.03718913e-03]] Final stress: [-4.01115254e-03 2.34821897e-03 1.88517753e-03 1.39558015e-02 -1.42011380e-14 1.78278824e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 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 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.69739198e-10 -1.59125427e+00 3.60015843e+00] [-3.52983923e-10 -1.50057413e+00 3.29418393e+00] [-3.61645668e-10 1.50057413e+00 -3.29418393e+00] [-2.46922745e-10 1.59125427e+00 -3.60015843e+00] [ 2.36037322e-10 -1.59125427e+00 3.60015843e+00] [ 3.87991124e-10 -1.50057413e+00 3.29418393e+00] [ 3.24368007e-10 1.50057413e+00 -3.29418393e+00] [ 1.77436173e-10 1.59125427e+00 -3.60015843e+00] [-3.33649736e-10 5.42187892e-01 -7.52044736e-01] [-1.30025139e-10 -5.42187891e-01 7.52044736e-01] [ 2.52507040e-10 5.42187892e-01 -7.52044736e-01] [ 1.66626908e-10 -5.42187891e-01 7.52044736e-01] [-1.98998819e-10 -2.01117295e+00 -5.80991739e-01] [-1.15602300e-10 2.01117295e+00 5.80991739e-01] [ 2.61597811e-10 -2.01117295e+00 -5.80991739e-01] [ 1.02984547e-10 2.01117295e+00 5.80991739e-01]] Final stress: [ 3.18894757e-02 9.14081020e-03 -6.11554942e-02 -2.38130389e-01 3.78790524e-13 1.37887596e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.37146625e-10 1.50057413e+00 3.29418392e+00] [-3.17336330e-10 1.59125427e+00 3.60015843e+00] [-2.94333223e-10 -1.59125427e+00 -3.60015843e+00] [-3.94221798e-10 -1.50057413e+00 -3.29418392e+00] [ 3.95405906e-10 1.50057413e+00 3.29418392e+00] [ 2.91389228e-10 1.59125427e+00 3.60015843e+00] [ 3.16859517e-10 -1.59125427e+00 -3.60015843e+00] [ 1.46110190e-10 -1.50057413e+00 -3.29418392e+00] [-2.04599147e-10 5.42187892e-01 7.52044735e-01] [-2.95723307e-10 -5.42187891e-01 -7.52044735e-01] [ 1.66197890e-10 5.42187892e-01 7.52044735e-01] [ 1.61087076e-10 -5.42187891e-01 -7.52044735e-01] [-1.06566353e-10 -2.01117295e+00 5.80991738e-01] [-1.47452971e-10 2.01117295e+00 -5.80991738e-01] [ 1.81041194e-10 -2.01117295e+00 5.80991738e-01] [ 2.39278485e-10 2.01117295e+00 -5.80991738e-01]] Final stress: [ 3.18894757e-02 9.14081018e-03 -6.11554941e-02 2.38130389e-01 7.75291417e-13 -2.27445535e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.07360335e-11 -1.84971902e-01 1.37780477e-01] [-5.30565800e-11 -1.68195714e-01 1.41671162e-01] [-5.02365096e-11 1.68195714e-01 -1.41671162e-01] [-3.73237812e-11 1.84971902e-01 -1.37780477e-01] [ 3.62820043e-11 -1.84971903e-01 1.37780477e-01] [ 5.20496497e-11 -1.68195714e-01 1.41671162e-01] [ 5.22083273e-11 1.68195714e-01 -1.41671162e-01] [ 4.26587405e-11 1.84971902e-01 -1.37780477e-01] [-3.92871063e-11 1.39962743e-01 -6.04743829e-02] [-3.51727232e-11 -1.39962743e-01 6.04743829e-02] [ 4.03412774e-11 1.39962743e-01 -6.04743829e-02] [ 5.30472888e-12 -1.39962743e-01 6.04743830e-02] [-3.49517672e-11 -2.71864090e-01 -4.11544086e-02] [-2.12432494e-12 2.71864090e-01 4.11544086e-02] [ 3.35517180e-11 -2.71864090e-01 -4.11544086e-02] [ 3.04773555e-11 2.71864090e-01 4.11544086e-02]] Final stress: [-3.29183141e-03 1.48192333e-03 -7.70609669e-04 -2.56927228e-02 -2.97852021e-14 -1.53560756e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.19273955e-11 1.68197913e-01 1.41680334e-01] [-4.42441188e-11 1.84974824e-01 1.37790071e-01] [-2.76624113e-11 -1.84974824e-01 -1.37790071e-01] [-4.59744968e-11 -1.68197913e-01 -1.41680334e-01] [ 4.57887056e-11 1.68197913e-01 1.41680334e-01] [ 2.75463810e-11 1.84974824e-01 1.37790071e-01] [ 4.42058494e-11 -1.84974824e-01 -1.37790071e-01] [ 5.18337274e-11 -1.68197913e-01 -1.41680334e-01] [-4.32700314e-11 1.39971175e-01 6.04756066e-02] [-3.65992609e-11 -1.39971175e-01 -6.04756066e-02] [ 4.02776195e-11 1.39971175e-01 6.04756066e-02] [ 4.29560992e-11 -1.39971175e-01 -6.04756066e-02] [-3.45230476e-11 -2.71873876e-01 4.11547977e-02] [-3.73487256e-11 2.71873876e-01 -4.11547977e-02] [ 3.77307739e-11 -2.71873876e-01 4.11547977e-02] [ 3.11987526e-11 2.71873876e-01 -4.11547977e-02]] Final stress: [-3.29188123e-03 1.48198538e-03 -7.70672071e-04 2.56930477e-02 -1.01499940e-13 3.36701882e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.14163647e-12 -3.65711168e-02 1.70374715e-02] [-1.75212800e-11 -3.05592186e-02 2.06069451e-02] [-1.47156841e-11 3.05592186e-02 -2.06069451e-02] [-1.83330660e-11 3.65711168e-02 -1.70374715e-02] [ 1.92848797e-11 -3.65711168e-02 1.70374715e-02] [ 1.57816846e-11 -3.05592186e-02 2.06069451e-02] [ 1.84975050e-11 3.05592186e-02 -2.06069451e-02] [ 5.18380781e-12 3.65711168e-02 -1.70374715e-02] [-1.14850649e-11 5.58038708e-03 -9.24272015e-03] [-1.03631773e-11 -5.58038708e-03 9.24272015e-03] [-4.01249975e-12 5.58038707e-03 -9.24272015e-03] [-1.63756465e-12 -5.58038706e-03 9.24272015e-03] [ 4.46074341e-12 -4.85512572e-02 -8.61267542e-03] [ 1.26956171e-12 4.85512572e-02 8.61267541e-03] [ 9.73189453e-12 -4.85512572e-02 -8.61267541e-03] [ 7.99069006e-12 4.85512572e-02 8.61267541e-03]] Final stress: [-5.96296698e-04 9.17413376e-05 -2.29004392e-04 -5.02352111e-03 5.10266101e-14 4.72553503e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 5.96263924e-13 3.05594001e-02 2.06058880e-02] [-9.78644075e-12 3.65710871e-02 1.70364479e-02] [-5.20062726e-13 -3.65710871e-02 -1.70364479e-02] [-2.83908400e-12 -3.05594001e-02 -2.06058880e-02] [ 3.93388740e-12 3.05594001e-02 2.06058880e-02] [ 1.25087744e-12 3.65710871e-02 1.70364479e-02] [ 1.06600212e-11 -3.65710871e-02 -1.70364479e-02] [ 3.38144226e-13 -3.05594001e-02 -2.06058880e-02] [-1.25523665e-11 5.58116109e-03 9.24277262e-03] [-8.76955106e-12 -5.58116108e-03 -9.24277263e-03] [-6.92548666e-12 5.58116109e-03 9.24277262e-03] [-3.99801112e-12 -5.58116109e-03 -9.24277263e-03] [ 6.68666641e-12 -4.85519543e-02 8.61267010e-03] [ 3.27258622e-12 4.85519543e-02 -8.61267011e-03] [ 1.15031106e-11 -4.85519542e-02 8.61267011e-03] [ 7.15712705e-12 4.85519543e-02 -8.61267011e-03]] Final stress: [-5.96331384e-04 9.17558531e-05 -2.28978047e-04 5.02352820e-03 -2.61576723e-14 2.56922093e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.99490792e-13 -1.08730414e-02 1.19782501e-04] [-3.97325944e-12 -8.18248307e-03 1.54141686e-03] [-3.68794372e-12 8.18248307e-03 -1.54141685e-03] [-5.75032123e-12 1.08730414e-02 -1.19782503e-04] [ 6.04024133e-12 -1.08730414e-02 1.19782506e-04] [ 3.42648696e-12 -8.18248307e-03 1.54141685e-03] [ 4.17561157e-12 8.18248307e-03 -1.54141685e-03] [-5.69261869e-13 1.08730414e-02 -1.19782503e-04] [ 1.22006745e-12 -8.56491900e-03 -2.12532886e-03] [-6.78155102e-12 8.56491900e-03 2.12532886e-03] [ 2.51683873e-12 -8.56491900e-03 -2.12532886e-03] [ 6.24475732e-13 8.56491901e-03 2.12532886e-03] [-1.64013941e-12 -1.19463777e-02 -2.73587435e-03] [-7.91117280e-13 1.19463777e-02 2.73587434e-03] [-7.22589333e-13 -1.19463777e-02 -2.73587434e-03] [ 5.60137394e-12 1.19463777e-02 2.73587434e-03]] Final stress: [-9.03891679e-05 -3.95385395e-05 -7.85915208e-05 -1.43397730e-03 2.60593339e-14 -3.64425026e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.92921990e-12 8.18249162e-03 1.54152512e-03] [-3.69702641e-12 1.08730584e-02 1.19892089e-04] [-1.08643335e-12 -1.08730584e-02 -1.19892089e-04] [-5.41335986e-12 -8.18249162e-03 -1.54152511e-03] [ 5.76318572e-12 8.18249162e-03 1.54152510e-03] [ 8.11199632e-13 1.08730584e-02 1.19892098e-04] [ 4.06398537e-12 -1.08730584e-02 -1.19892084e-04] [ 4.80429650e-12 -8.18249162e-03 -1.54152512e-03] [-3.86089880e-12 -8.56480719e-03 2.12533510e-03] [-5.52174539e-12 8.56480719e-03 -2.12533509e-03] [ 1.50242048e-12 -8.56480719e-03 2.12533510e-03] [ 1.93529654e-12 8.56480720e-03 -2.12533510e-03] [-1.12024279e-12 -1.19465031e-02 2.73587539e-03] [-1.55087840e-12 1.19465031e-02 -2.73587539e-03] [ 3.59282393e-12 -1.19465031e-02 2.73587540e-03] [ 4.70576797e-12 1.19465031e-02 -2.73587540e-03]] Final stress: [-9.03900678e-05 -3.95376778e-05 -7.85920396e-05 1.43397888e-03 -9.87448129e-15 -7.41746617e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.56578209e-11 -3.81829299e-02 -1.46998486e-02] [ 6.03926965e-11 -7.48161808e-02 4.91825596e-03] [-2.03894560e-11 7.48161808e-02 -4.91825593e-03] [ 6.73539714e-11 3.81829299e-02 1.46998486e-02] [-6.90722149e-11 -3.81829299e-02 -1.46998486e-02] [ 2.12965401e-11 -7.48161808e-02 4.91825600e-03] [-6.14113402e-11 7.48161808e-02 -4.91825597e-03] [-5.51245330e-11 3.81829299e-02 1.46998486e-02] [ 2.83336961e-12 -8.84418934e-02 8.24386585e-03] [ 1.86803810e-11 8.84418934e-02 -8.24386584e-03] [-1.86617447e-11 -8.84418934e-02 8.24386585e-03] [-8.41879257e-12 8.84418934e-02 -8.24386585e-03] [ 1.01810860e-11 -7.37878207e-02 -3.92810262e-02] [ 1.20172617e-11 7.37878207e-02 3.92810262e-02] [-7.11002672e-12 -7.37878207e-02 -3.92810262e-02] [-8.22453320e-12 7.37878207e-02 3.92810262e-02]] Final stress: [-2.30617987e-03 -1.58596551e-03 -1.77271798e-03 -1.24416628e-02 2.99964406e-13 1.13867257e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-2.63027490e-12 7.48158648e-02 4.91482869e-03] [ 1.00191255e-11 3.81822864e-02 -1.47033565e-02] [-1.53368702e-11 -3.81822865e-02 1.47033566e-02] [-8.95418722e-12 -7.48158648e-02 -4.91482879e-03] [ 1.00267931e-11 7.48158648e-02 4.91482880e-03] [ 1.72052537e-11 3.81822865e-02 -1.47033567e-02] [-9.10570295e-12 -3.81822865e-02 1.47033565e-02] [ 3.54904561e-12 -7.48158648e-02 -4.91482863e-03] [ 9.02994866e-12 -8.84455818e-02 -8.24407791e-03] [-3.36962142e-12 8.84455818e-02 8.24407792e-03] [-1.22524994e-12 -8.84455818e-02 -8.24407791e-03] [-6.14467071e-12 8.84455818e-02 8.24407790e-03] [-1.60951244e-12 -7.37829462e-02 3.92809063e-02] [ 7.11155063e-12 7.37829461e-02 -3.92809063e-02] [-1.12574953e-11 -7.37829461e-02 3.92809063e-02] [ 2.68528505e-12 7.37829462e-02 -3.92809063e-02]] Final stress: [-2.30613193e-03 -1.58599631e-03 -1.77270141e-03 1.24415956e-02 1.45497613e-13 -1.24113331e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-3.33695180e-11 6.31428995e-02 -1.99799286e-02] [-8.93483792e-11 -3.29840309e-01 -2.47756369e-02] [-3.75266066e-11 3.29840309e-01 2.47756363e-02] [-8.53145159e-11 -6.31428995e-02 1.99799292e-02] [ 8.63775676e-11 6.31428995e-02 -1.99799288e-02] [ 4.22144815e-11 -3.29840309e-01 -2.47756365e-02] [ 8.88648902e-11 3.29840309e-01 2.47756365e-02] [ 3.70315274e-11 -6.31428995e-02 1.99799289e-02] [-5.70785923e-11 -2.16691043e-01 7.57104600e-02] [-7.58778275e-11 2.16691043e-01 -7.57104600e-02] [ 3.66527585e-11 -2.16691043e-01 7.57104600e-02] [ 3.33126890e-11 2.16691043e-01 -7.57104600e-02] [-2.62514147e-11 -9.94227627e-02 -1.69692283e-01] [-2.94357563e-11 9.94227626e-02 1.69692283e-01] [ 4.53822779e-11 -9.94227628e-02 -1.69692283e-01] [ 6.43652576e-11 9.94227627e-02 1.69692283e-01]] Final stress: [-6.98931726e-03 -8.36652973e-03 -8.48323193e-03 -3.96504908e-02 1.01004241e-14 -2.22137606e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-2.77646775e-12 3.29816673e-01 -2.47637893e-02] [ 7.61478606e-11 -6.31359017e-02 -1.99738823e-02] [-9.19308019e-11 6.31359017e-02 1.99738827e-02] [ 8.25553723e-11 -3.29816672e-01 2.47637888e-02] [-8.33495839e-11 3.29816673e-01 -2.47637893e-02] [ 8.95177105e-11 -6.31359017e-02 -1.99738832e-02] [-7.90700983e-11 6.31359017e-02 1.99738827e-02] [-4.97791478e-13 -3.29816673e-01 2.47637898e-02] [ 8.86262396e-12 -2.16671866e-01 -7.57071952e-02] [ 5.47005418e-11 2.16671866e-01 7.57071953e-02] [-2.91701730e-11 -2.16671866e-01 -7.57071952e-02] [-3.86739165e-12 2.16671866e-01 7.57071953e-02] [ 2.16239257e-11 -9.94249499e-02 1.69680113e-01] [ 1.38593454e-11 9.94249499e-02 -1.69680113e-01] [-1.67293408e-11 -9.94249496e-02 1.69680113e-01] [-3.98818883e-11 9.94249495e-02 -1.69680113e-01]] Final stress: [-6.98894487e-03 -8.36590876e-03 -8.48264765e-03 3.96479391e-02 4.05574702e-13 3.66282813e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.78743191e-11 2.33259932e-03 4.44675664e-04] [-1.48848191e-10 -9.91115897e-03 6.39418442e-04] [-1.19724141e-10 9.91115894e-03 -6.39418464e-04] [-2.90417602e-10 -2.33259934e-03 -4.44675626e-04] [ 2.85465149e-10 2.33259933e-03 4.44675311e-04] [ 1.17701463e-10 -9.91115896e-03 6.39418514e-04] [ 1.43842126e-10 9.91115896e-03 -6.39418115e-04] [-1.98737734e-11 -2.33259934e-03 -4.44675700e-04] [-2.13084901e-11 1.14360941e-04 4.22287110e-03] [-3.97228786e-11 -1.14360856e-04 -4.22287110e-03] [ 1.18738772e-10 1.14360872e-04 4.22287110e-03] [ 6.04241999e-11 -1.14360734e-04 -4.22287110e-03] [-8.95104386e-11 3.99595369e-04 -4.86811450e-03] [-6.03224947e-11 -3.99595434e-04 4.86811449e-03] [ 2.61477086e-11 3.99595426e-04 -4.86811450e-03] [ 1.95335374e-11 -3.99595540e-04 4.86811449e-03]] Final stress: [ 1.77392113e-05 -1.64526546e-04 -1.16601110e-04 -1.19842781e-03 1.24303814e-12 -4.29198906e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.20383606e-12 9.91255563e-03 6.40558456e-04] [ 1.15402132e-10 -2.33487700e-03 4.45396502e-04] [ 8.68512011e-11 2.33487702e-03 -4.45395903e-04] [ 3.48084729e-11 -9.91255560e-03 -6.40559056e-04] [-3.90988847e-11 9.91255559e-03 6.40559090e-04] [-8.91275413e-11 -2.33487702e-03 4.45396196e-04] [-1.19506472e-10 2.33487699e-03 -4.45396523e-04] [ 2.88507824e-12 -9.91255563e-03 -6.40558733e-04] [ 4.91544925e-11 1.17725443e-04 -4.22339954e-03] [ 9.34864634e-11 -1.17725375e-04 4.22339954e-03] [-2.45243524e-11 1.17725521e-04 -4.22339955e-03] [-5.75025574e-12 -1.17725469e-04 4.22339953e-03] [ 1.79568803e-11 4.01277880e-04 4.86837704e-03] [ 5.89423047e-12 -4.01277938e-04 -4.86837704e-03] [-4.42740816e-11 4.01277819e-04 4.86837703e-03] [-7.89582745e-11 -4.01277851e-04 -4.86837704e-03]] Final stress: [ 1.77520894e-05 -1.64547932e-04 -1.16613823e-04 1.19842321e-03 -5.09255006e-14 2.97457402e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-4.31239639e-10 -3.01178727e-04 1.02153471e-03] [-5.96803860e-10 -8.56117455e-03 -3.93495889e-04] [ 2.95755476e-10 8.56117450e-03 3.93494868e-04] [ 4.16296542e-10 3.01178690e-04 -1.02153380e-03] [-3.98471662e-10 -3.01178694e-04 1.02153422e-03] [-2.96487396e-10 -8.56117448e-03 -3.93494382e-04] [ 6.14660162e-10 8.56117455e-03 3.93495447e-04] [ 4.30481429e-10 3.01178756e-04 -1.02153523e-03] [-1.66392484e-10 -8.62130067e-05 3.94045105e-03] [-2.38926131e-10 8.62128932e-05 -3.94045101e-03] [-3.76828872e-11 -8.62127075e-05 3.94045102e-03] [ 1.37103564e-10 8.62126420e-05 -3.94045103e-03] [ 3.73625453e-11 3.00284423e-04 -4.70016454e-03] [-1.23815244e-10 -3.00284332e-04 4.70016458e-03] [ 1.48775870e-10 3.00284160e-04 -4.70016456e-03] [ 2.09382446e-10 -3.00284109e-04 4.70016455e-03]] Final stress: [ 6.63737874e-05 -1.02558107e-04 -6.46697217e-05 -1.24519848e-03 -7.73896086e-12 4.32125610e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.31159346e-10 8.55670504e-03 -3.95103385e-04] [ 5.64022381e-10 3.07275764e-04 1.02094447e-03] [ 4.13553439e-10 -3.07275683e-04 -1.02094377e-03] [-1.04100860e-09 -8.55670497e-03 3.95102767e-04] [ 1.03683377e-09 8.55670501e-03 -3.95102471e-04] [-4.18406048e-10 3.07275762e-04 1.02094481e-03] [-5.67883482e-10 -3.07275708e-04 -1.02094468e-03] [-2.35992304e-10 -8.55670497e-03 3.95102407e-04] [-6.62718578e-13 -9.22360974e-05 -3.93980285e-03] [-9.60618625e-11 9.22355984e-05 3.93980281e-03] [ 1.70477174e-10 -9.22356404e-05 -3.93980285e-03] [ 8.55703711e-11 9.22351525e-05 3.93980282e-03] [-1.16551936e-10 2.96537301e-04 4.69988501e-03] [-1.17912506e-10 -2.96536910e-04 -4.69988505e-03] [ 4.24341682e-11 2.96536901e-04 4.69988501e-03] [ 5.04123578e-11 -2.96536549e-04 -4.69988504e-03]] Final stress: [ 6.63972936e-05 -1.02460754e-04 -6.46078693e-05 1.24523951e-03 6.32257492e-12 -1.10670788e-12] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 9.33991921e-10 -2.07954366e-03 1.26776726e-03] [-7.25729388e-10 -7.34202877e-03 -8.62304148e-04] [ 5.51766465e-10 7.34202856e-03 8.62301652e-04] [ 3.94178406e-10 2.07954346e-03 -1.26776485e-03] [-4.74606120e-10 -2.07954351e-03 1.26776446e-03] [-5.73472021e-10 -7.34202863e-03 -8.62300775e-04] [ 6.44615492e-10 7.34202871e-03 8.62304480e-04] [-9.55291991e-10 2.07954361e-03 -1.26776819e-03] [ 4.46352364e-10 -4.59159333e-05 3.82370648e-03] [ 8.75285759e-10 4.59159785e-05 -3.82370645e-03] [ 3.95276756e-10 -4.59157830e-05 3.82370647e-03] [ 6.28090349e-11 4.59159246e-05 -3.82370645e-03] [-2.98896197e-10 2.08680831e-04 -4.62815487e-03] [-1.22559304e-10 -2.08680843e-04 4.62815492e-03] [-3.25843525e-10 2.08680791e-04 -4.62815488e-03] [-8.27881513e-10 -2.08680741e-04 4.62815490e-03]] Final stress: [ 1.03987291e-04 -5.38951039e-05 -2.40782320e-05 -1.26732432e-03 -3.27329935e-12 -9.61272203e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.73426137e-11 7.34194752e-03 -8.63297155e-04] [ 4.01694367e-10 2.07969430e-03 1.26699806e-03] [ 4.09205688e-10 -2.07969450e-03 -1.26700147e-03] [-9.25841979e-10 -7.34194774e-03 8.63300678e-04] [ 9.04681957e-10 7.34194759e-03 -8.63296589e-04] [-4.29836278e-10 2.07969441e-03 1.26699979e-03] [-4.22403596e-10 -2.07969443e-03 -1.26700202e-03] [-3.80497448e-11 -7.34194763e-03 8.63298980e-04] [-2.10739960e-10 -4.45478627e-05 -3.82395847e-03] [ 6.01708978e-11 4.45490890e-05 3.82395840e-03] [ 3.13970836e-10 -4.45471842e-05 -3.82395847e-03] [ 5.77240136e-10 4.45477537e-05 3.82395839e-03] [-2.49987398e-10 2.12862294e-04 4.62830968e-03] [-5.50776707e-10 -2.12863113e-04 -4.62830974e-03] [ 2.25740324e-10 2.12861614e-04 4.62830968e-03] [-8.24208658e-11 -2.12862107e-04 -4.62830975e-03]] Final stress: [ 1.04080937e-04 -5.38687991e-05 -2.40321507e-05 1.26735367e-03 4.15661842e-12 2.08850979e-12] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 2.37258330e-10 -3.17120015e-03 1.34612177e-03] [-1.83709821e-09 -6.47070286e-03 -1.07016021e-03] [-2.39459220e-09 6.47070298e-03 1.07016218e-03] [-8.65680255e-10 3.17120030e-03 -1.34612410e-03] [ 8.21714459e-10 -3.17120031e-03 1.34612231e-03] [ 2.33035858e-09 -6.47070302e-03 -1.07016602e-03] [ 1.79263706e-09 6.47070281e-03 1.07016194e-03] [-3.00563183e-10 3.17120005e-03 -1.34611786e-03] [ 3.80603177e-11 -3.54490496e-05 3.77409322e-03] [-3.73683986e-10 3.54494181e-05 -3.77409311e-03] [ 1.18090479e-09 -3.54506562e-05 3.77409318e-03] [ 1.03202921e-09 3.54518006e-05 -3.77409326e-03] [-9.90573822e-10 1.32519988e-04 -4.59535415e-03] [-8.96523281e-10 -1.32520271e-04 4.59535427e-03] [-5.23377679e-11 1.32521130e-04 -4.59535428e-03] [ 2.78109152e-10 -1.32522166e-04 4.59535414e-03]] Final stress: [ 1.28324541e-04 -2.23024240e-05 2.05922947e-06 -1.27656566e-03 7.38513985e-12 -2.63066946e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 1.04627791e-09 6.49708923e-03 -1.06773535e-03] [-4.58358493e-10 3.14129135e-03 1.34611827e-03] [ 1.15075064e-09 -3.14129121e-03 -1.34611612e-03] [-9.22963005e-10 -6.49708914e-03 1.06773334e-03] [ 8.92398450e-10 6.49708910e-03 -1.06773610e-03] [-1.13322432e-09 3.14129107e-03 1.34611160e-03] [ 4.27877443e-10 -3.14129139e-03 -1.34611557e-03] [-1.02891975e-09 -6.49708942e-03 1.06773990e-03] [-2.77968886e-10 -2.21135373e-05 -3.77496290e-03] [-4.83565033e-10 2.21145481e-05 3.77496284e-03] [ 9.13976075e-10 -2.21156328e-05 -3.77496282e-03] [ 8.09762990e-11 2.21171794e-05 3.77496286e-03] [-7.11411244e-10 1.52158317e-04 4.59564224e-03] [-2.08524980e-10 -1.52159262e-04 -4.59564225e-03] [ 3.85100458e-10 1.52160136e-04 4.59564228e-03] [ 3.27570360e-10 -1.52161337e-04 -4.59564222e-03]] Final stress: [ 1.28071750e-04 -2.30318947e-05 1.54712231e-06 1.27642551e-03 1.58826940e-12 -5.58282952e-12] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 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]: [[ 14.68119 2.84506 3.82905 0.00005 -0. 0. ] [ 2.84506 11.19053 2.68314 -0.00002 0.00001 -0.00001] [ 3.82905 2.68314 14.53774 -0.00004 0. 0. ] [ 0.00005 -0.00002 -0.00004 -2812.42003 0. -0. ] [ -0. 0.00001 0. 0. 0.34365 -0. ] [ 0. -0.00001 0. -0. -0. -0.66693]] 95%% Error estimate [ASE units]: [[ 0.0006 0.00091 0.00089 0.00148 0. 0.00002] [ 0.00091 0.00065 0.0005 0.00081 0.00001 0.00002] [ 0.00089 0.0005 0.00071 0.00118 0. 0.00001] [ 0.00148 0.00081 0.00118 5686.16664 0. 0. ] [ 0. 0.00001 0. 0. 0. 0. ] [ 0.00002 0.00002 0.00001 0. 0. 0.00006]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 2843.083318 is too big compared to maximum elastic constant component 2812.420033 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000048 Attempting to compute elastic constants with method stress-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 4 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.26567696e-11 -1.81018848e+00 1.38543013e-01] [ 1.37425145e-11 -2.25351125e+00 -8.30465220e-01] [ 2.06634084e-11 2.25351125e+00 8.30465220e-01] [ 1.00050272e-11 1.81018848e+00 -1.38543013e-01] [-1.03292831e-11 -1.81018848e+00 1.38543013e-01] [-2.09359856e-11 -2.25351125e+00 -8.30465220e-01] [-1.46133621e-11 2.25351125e+00 8.30465220e-01] [-1.26522018e-11 1.81018848e+00 -1.38543013e-01] [ 1.37303708e-11 -3.21940720e-01 -1.49889405e+00] [ 1.73818373e-11 3.21940720e-01 1.49889405e+00] [-8.12853203e-12 -3.21940720e-01 -1.49889405e+00] [-9.92067279e-12 3.21940720e-01 1.49889405e+00] [ 6.91395032e-12 -2.00005230e-01 2.38726801e-01] [ 7.80227337e-12 2.00005230e-01 -2.38726801e-01] [-1.11648721e-11 -2.00005230e-01 2.38726801e-01] [-1.51414582e-11 2.00005230e-01 -2.38726801e-01]] Final stress: [ 5.55232009e-03 6.21150244e-03 -1.74328794e-02 -1.65594227e-01 -1.31145492e-14 6.37034090e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.18217358e-11 2.25351125e+00 -8.30465220e-01] [ 1.71920130e-11 1.81018848e+00 1.38543013e-01] [ 1.67309863e-11 -1.81018848e+00 -1.38543013e-01] [ 1.18169311e-11 -2.25351125e+00 8.30465220e-01] [-1.22968341e-11 2.25351125e+00 -8.30465220e-01] [-1.68285694e-11 1.81018848e+00 1.38543013e-01] [-1.73235469e-11 -1.81018848e+00 -1.38543013e-01] [-1.21709446e-11 -2.25351125e+00 8.30465220e-01] [ 1.34623380e-11 -3.21940720e-01 1.49889405e+00] [ 1.45968671e-11 3.21940720e-01 -1.49889405e+00] [-9.61075165e-12 -3.21940720e-01 1.49889405e+00] [-9.03753634e-12 3.21940720e-01 -1.49889405e+00] [ 8.19814095e-12 -2.00005230e-01 -2.38726801e-01] [ 7.82271231e-12 2.00005230e-01 2.38726801e-01] [-1.17723251e-11 -2.00005230e-01 -2.38726801e-01] [-1.26051129e-11 2.00005230e-01 2.38726801e-01]] Final stress: [ 5.55232009e-03 6.21150244e-03 -1.74328794e-02 1.65594227e-01 2.61341650e-15 4.91705743e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 5.14570602e-11 -4.10118653e+00 -3.34563828e-01] [ 1.61566782e-10 -4.91498870e+00 -2.21838809e+00] [ 1.47397987e-10 4.91498870e+00 2.21838809e+00] [ 5.68691517e-11 4.10118653e+00 3.34563828e-01] [-5.63160899e-11 -4.10118653e+00 -3.34563827e-01] [-1.46735687e-10 -4.91498870e+00 -2.21838809e+00] [-1.65847930e-10 4.91498870e+00 2.21838809e+00] [-5.17907433e-11 4.10118653e+00 3.34563828e-01] [ 9.49194974e-11 -3.29090058e-01 -3.47859836e+00] [ 1.19061785e-10 3.29090059e-01 3.47859836e+00] [-9.82822385e-11 -3.29090058e-01 -3.47859836e+00] [-8.12914471e-11 3.29090058e-01 3.47859836e+00] [ 6.96105013e-11 -4.89641911e-01 5.62885319e-01] [ 6.29781791e-11 4.89641911e-01 -5.62885319e-01] [-7.38993237e-11 -4.89641912e-01 5.62885319e-01] [-8.97033156e-11 4.89641912e-01 -5.62885319e-01]] Final stress: [ 3.35956868e-01 9.78993392e-02 -3.12830900e-01 -4.37944964e-01 9.42050308e-15 1.27795988e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[ 1.50349836e-10 4.91498870e+00 -2.21838809e+00] [ 5.43664098e-11 4.10118653e+00 -3.34563828e-01] [ 5.47768029e-11 -4.10118653e+00 3.34563828e-01] [ 1.51423232e-10 -4.91498870e+00 2.21838809e+00] [-1.53268512e-10 4.91498870e+00 -2.21838809e+00] [-5.42478595e-11 4.10118653e+00 -3.34563828e-01] [-5.42437903e-11 -4.10118653e+00 3.34563828e-01] [-1.51393644e-10 -4.91498870e+00 2.21838809e+00] [ 1.01760377e-10 -3.29090055e-01 3.47859836e+00] [ 1.08200464e-10 3.29090055e-01 -3.47859836e+00] [-9.34622776e-11 -3.29090056e-01 3.47859836e+00] [-8.83677962e-11 3.29090056e-01 -3.47859836e+00] [ 6.87868020e-11 -4.89641911e-01 -5.62885320e-01] [ 6.52201197e-11 4.89641911e-01 5.62885320e-01] [-7.77693031e-11 -4.89641910e-01 -5.62885320e-01] [-8.21371936e-11 4.89641910e-01 5.62885320e-01]] Final stress: [ 3.35956868e-01 9.78993392e-02 -3.12830900e-01 4.37944964e-01 -4.15417925e-15 8.85139853e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 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 5 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 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 2 steps. Final forces: [[ 4.48529108e-11 -1.60849480e+00 -6.86592371e-01] [ 4.38727860e-11 -2.22374655e+00 -1.30632961e+00] [ 5.24752897e-11 2.22374655e+00 1.30632961e+00] [ 3.40964401e-11 1.60849480e+00 6.86592371e-01] [-3.50075013e-11 -1.60849480e+00 -6.86592371e-01] [-5.23704738e-11 -2.22374655e+00 -1.30632961e+00] [-4.75782384e-11 2.22374655e+00 1.30632961e+00] [-4.46620536e-11 1.60849480e+00 6.86592372e-01] [ 4.71457547e-11 4.51323046e-01 -1.20781352e+00] [ 7.66416167e-11 -4.51323046e-01 1.20781352e+00] [-5.06491346e-11 4.51323046e-01 -1.20781352e+00] [-4.11331360e-11 -4.51323046e-01 1.20781352e+00] [ 4.38562095e-11 -1.08609483e+00 1.22205990e-02] [ 3.50281316e-11 1.08609483e+00 -1.22205990e-02] [-4.01418163e-11 -1.08609483e+00 1.22205990e-02] [-6.64379916e-11 1.08609483e+00 -1.22205990e-02]] Final stress: [-2.53506674e-02 2.33254818e-02 8.69545938e-03 -2.10991451e-01 2.64079302e-14 1.34684390e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.72986377e-11 2.22374655e+00 -1.30632961e+00] [ 4.39518311e-11 1.60849480e+00 -6.86592371e-01] [ 3.33177455e-11 -1.60849480e+00 6.86592371e-01] [ 4.17608751e-11 -2.22374655e+00 1.30632961e+00] [-4.32120742e-11 2.22374655e+00 -1.30632961e+00] [-3.29646570e-11 1.60849480e+00 -6.86592371e-01] [-4.44600260e-11 -1.60849480e+00 6.86592371e-01] [-3.73910651e-11 -2.22374655e+00 1.30632961e+00] [ 4.61088121e-11 4.51323046e-01 1.20781352e+00] [ 6.76363653e-11 -4.51323046e-01 -1.20781352e+00] [-4.90829904e-11 4.51323046e-01 1.20781352e+00] [-4.82525825e-11 -4.51323046e-01 -1.20781352e+00] [ 4.19757970e-11 -1.08609483e+00 -1.22205990e-02] [ 4.27878474e-11 1.08609483e+00 1.22205989e-02] [-4.02523954e-11 -1.08609483e+00 -1.22205990e-02] [-5.92325861e-11 1.08609483e+00 1.22205990e-02]] Final stress: [-2.53506673e-02 2.33254818e-02 8.69545938e-03 2.10991451e-01 2.92109640e-14 1.02117371e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.80580952e-12 -3.43317407e-01 1.03826267e-01] [-7.23831585e-13 -3.69967912e-01 4.35624476e-02] [-1.39153457e-12 3.69967912e-01 -4.35624476e-02] [-1.27976015e-12 3.43317407e-01 -1.03826267e-01] [ 1.06727864e-12 -3.43317407e-01 1.03826267e-01] [ 1.80782386e-12 -3.69967912e-01 4.35624476e-02] [ 2.92952620e-13 3.69967912e-01 -4.35624476e-02] [ 2.00625974e-12 3.43317407e-01 -1.03826267e-01] [ 8.90852171e-12 3.28029885e-01 -1.81954902e-01] [ 6.00611661e-12 -3.28029885e-01 1.81954902e-01] [ 1.12029873e-12 3.28029885e-01 -1.81954902e-01] [-4.57095429e-12 -3.28029885e-01 1.81954902e-01] [-1.06284252e-12 -3.70595250e-01 -2.27629657e-02] [ 3.91940533e-12 3.70595250e-01 2.27629656e-02] [-8.70733058e-12 -3.70595250e-01 -2.27629656e-02] [-5.58628119e-12 3.70595250e-01 2.27629656e-02]] Final stress: [-6.29038354e-03 4.29054463e-03 2.24881097e-03 -4.14639074e-02 9.17373928e-16 -3.89574242e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.86194799e-12 3.69968425e-01 4.35612351e-02] [ 1.96551607e-12 3.43317677e-01 1.03825257e-01] [ 2.98454306e-12 -3.43317677e-01 -1.03825257e-01] [-1.01413409e-12 -3.69968425e-01 -4.35612351e-02] [ 1.12357042e-12 3.69968425e-01 4.35612351e-02] [-2.77767869e-12 3.43317677e-01 1.03825257e-01] [-1.87249988e-12 -3.43317677e-01 -1.03825257e-01] [ 1.98899230e-12 -3.69968425e-01 -4.35612351e-02] [ 2.94060739e-12 3.28030501e-01 1.81955187e-01] [ 3.30514522e-12 -3.28030501e-01 -1.81955187e-01] [-1.94274913e-12 3.28030501e-01 1.81955187e-01] [-4.39727985e-12 -3.28030501e-01 -1.81955187e-01] [ 1.56679617e-12 -3.70595829e-01 2.27629259e-02] [ 3.91459933e-12 3.70595829e-01 -2.27629259e-02] [-2.82115882e-12 -3.70595829e-01 2.27629259e-02] [-3.10297464e-12 3.70595829e-01 -2.27629259e-02]] Final stress: [-6.29041596e-03 4.29055813e-03 2.24883560e-03 4.14639417e-02 -7.74932661e-15 -1.16702695e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.09691000e-12 -1.02641257e-01 4.12610188e-02] [ 3.90802451e-12 -1.10923307e-01 2.41952647e-02] [ 3.30759422e-12 1.10923307e-01 -2.41952647e-02] [-3.77137384e-12 1.02641257e-01 -4.12610188e-02] [ 3.91052381e-12 -1.02641257e-01 4.12610188e-02] [-3.14955484e-12 -1.10923307e-01 2.41952647e-02] [-3.71158941e-12 1.10923307e-01 -2.41952647e-02] [ 1.15602731e-12 1.02641257e-01 -4.12610188e-02] [-4.56570545e-14 1.71782342e-01 -5.36757193e-02] [ 3.87487872e-12 -1.71782342e-01 5.36757194e-02] [-4.94122072e-12 1.71782342e-01 -5.36757194e-02] [-4.39412309e-12 -1.71782342e-01 5.36757194e-02] [ 4.43025217e-12 -1.81735242e-01 -6.60907583e-03] [ 3.94393022e-12 1.81735242e-01 6.60907583e-03] [ 1.49702516e-13 -1.81735242e-01 -6.60907583e-03] [-3.56872352e-12 1.81735242e-01 6.60907583e-03]] Final stress: [-3.34730263e-03 2.03061744e-03 1.46621382e-03 -1.21566369e-02 1.46903495e-14 1.80585054e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 5.52144723e-12 1.10923307e-01 2.41952647e-02] [-1.30171741e-12 1.02641257e-01 4.12610188e-02] [-3.32408450e-12 -1.02641257e-01 -4.12610188e-02] [ 4.67001351e-12 -1.10923307e-01 -2.41952646e-02] [-4.42117046e-12 1.10923307e-01 2.41952647e-02] [ 3.33568026e-12 1.02641257e-01 4.12610188e-02] [ 1.43183100e-12 -1.02641257e-01 -4.12610188e-02] [-5.42326405e-12 -1.10923307e-01 -2.41952647e-02] [ 1.93448447e-12 1.71782342e-01 5.36757194e-02] [ 4.21444303e-12 -1.71782342e-01 -5.36757194e-02] [-5.73225115e-12 1.71782342e-01 5.36757194e-02] [-5.03611389e-12 -1.71782342e-01 -5.36757194e-02] [ 5.06546497e-12 -1.81735242e-01 6.60907583e-03] [ 4.52788374e-12 1.81735242e-01 -6.60907583e-03] [-1.73857399e-12 -1.81735242e-01 6.60907583e-03] [-3.72683809e-12 1.81735242e-01 -6.60907584e-03]] Final stress: [-3.34730263e-03 2.03061744e-03 1.46621382e-03 1.21566369e-02 1.28436747e-14 1.33250678e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-1.09250271e-10 -9.39245073e-01 1.94301975e+00] [-1.68369441e-10 -7.44334296e-01 1.91451402e+00] [-1.79397970e-10 7.44334296e-01 -1.91451402e+00] [-1.08308706e-10 9.39245073e-01 -1.94301975e+00] [ 1.10491758e-10 -9.39245073e-01 1.94301975e+00] [ 1.77369621e-10 -7.44334296e-01 1.91451402e+00] [ 1.73511001e-10 7.44334296e-01 -1.91451402e+00] [ 1.08648431e-10 9.39245073e-01 -1.94301975e+00] [-9.05588378e-11 1.78637103e-01 -3.20287671e-01] [-1.17887962e-10 -1.78637103e-01 3.20287671e-01] [ 8.21263721e-11 1.78637103e-01 -3.20287671e-01] [ 7.47789747e-11 -1.78637103e-01 3.20287671e-01] [-6.53839261e-11 -8.46622003e-01 -2.77261280e-01] [-5.68457297e-11 8.46622003e-01 2.77261280e-01] [ 7.35937903e-11 -8.46622003e-01 -2.77261280e-01] [ 9.54808369e-11 8.46622003e-01 2.77261280e-01]] Final stress: [ 2.07145711e-02 -4.53288077e-04 -3.28948768e-02 -1.27869944e-01 3.51411242e-14 -1.27829793e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.89641504e-11 7.44334297e-01 1.91451402e+00] [-1.48032135e-10 9.39245074e-01 1.94301975e+00] [-1.97732333e-10 -9.39245074e-01 -1.94301975e+00] [-1.18365799e-10 -7.44334297e-01 -1.91451402e+00] [ 1.18928843e-10 7.44334297e-01 1.91451402e+00] [ 1.99329072e-10 9.39245074e-01 1.94301975e+00] [ 1.48081503e-10 -9.39245074e-01 -1.94301975e+00] [ 7.55854121e-11 -7.44334297e-01 -1.91451402e+00] [-1.14929686e-10 1.78637104e-01 3.20287671e-01] [-8.33932272e-11 -1.78637104e-01 -3.20287671e-01] [ 4.86908309e-11 1.78637104e-01 3.20287671e-01] [ 4.51436302e-11 -1.78637104e-01 -3.20287671e-01] [-4.00556910e-11 -8.46622004e-01 2.77261281e-01] [-3.63418342e-11 8.46622004e-01 -2.77261281e-01] [ 1.00117576e-10 -8.46622004e-01 2.77261281e-01] [ 7.19374405e-11 8.46622004e-01 -2.77261281e-01]] Final stress: [ 2.07145711e-02 -4.53288069e-04 -3.28948769e-02 1.27869944e-01 4.42768271e-13 1.05405135e-13] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.87009882e-11 -1.51865697e-01 1.06184471e-01] [-3.77677449e-11 -1.36957322e-01 1.11416811e-01] [-5.47012239e-11 1.36957322e-01 -1.11416811e-01] [-3.43197606e-11 1.51865697e-01 -1.06184471e-01] [ 3.50172732e-11 -1.51865697e-01 1.06184471e-01] [ 5.41189823e-11 -1.36957322e-01 1.11416811e-01] [ 3.84230638e-11 1.36957322e-01 -1.11416811e-01] [ 3.85822930e-11 1.51865697e-01 -1.06184471e-01] [-3.30460767e-11 1.04422668e-01 -4.81110167e-02] [-4.32110840e-11 -1.04422668e-01 4.81110167e-02] [ 4.09876143e-11 1.04422668e-01 -4.81110167e-02] [ 3.68181432e-11 -1.04422668e-01 4.81110167e-02] [-3.64316112e-11 -2.18320013e-01 -3.39251845e-02] [-3.10558299e-11 2.18320014e-01 3.39251845e-02] [ 2.79196410e-11 -2.18320013e-01 -3.39251845e-02] [ 3.73639835e-11 2.18320014e-01 3.39251845e-02]] Final stress: [-2.70248550e-03 1.10789914e-03 -6.43925070e-04 -2.11166672e-02 5.39834868e-14 -4.75177875e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.72340583e-11 1.36959174e-01 1.11425049e-01] [-3.72445048e-11 1.51868216e-01 1.06193044e-01] [-3.25470995e-11 -1.51868216e-01 -1.06193044e-01] [-3.67776053e-11 -1.36959174e-01 -1.11425049e-01] [ 3.69718085e-11 1.36959174e-01 1.11425049e-01] [ 3.23401332e-11 1.51868216e-01 1.06193044e-01] [ 3.76779721e-11 -1.51868216e-01 -1.06193044e-01] [ 3.72238716e-11 -1.36959174e-01 -1.11425049e-01] [-4.50163435e-11 1.04430245e-01 4.81120635e-02] [-3.57965419e-11 -1.04430245e-01 -4.81120635e-02] [ 2.81152049e-11 1.04430245e-01 4.81120635e-02] [ 3.55342136e-11 -1.04430245e-01 -4.81120635e-02] [-2.34417880e-11 -2.18328760e-01 3.39254930e-02] [-3.06179696e-11 2.18328760e-01 -3.39254930e-02] [ 4.01823345e-11 -2.18328760e-01 3.39254929e-02] [ 3.06318513e-11 2.18328760e-01 -3.39254930e-02]] Final stress: [-2.70253056e-03 1.10795450e-03 -6.43979949e-04 2.11169435e-02 -2.50057609e-14 8.58578851e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.86748956e-12 -3.07059944e-02 8.48359962e-03] [-1.11526717e-11 -2.56302078e-02 1.18446726e-02] [-1.32825927e-11 2.56302078e-02 -1.18446726e-02] [ 2.95097193e-12 3.07059944e-02 -8.48359962e-03] [-1.82817737e-12 -3.07059945e-02 8.48359962e-03] [ 1.30980357e-11 -2.56302078e-02 1.18446726e-02] [ 1.22566283e-11 2.56302078e-02 -1.18446726e-02] [-2.80042504e-12 3.07059944e-02 -8.48359961e-03] [-4.94172086e-12 -2.97631746e-03 -7.39232251e-03] [-1.32076754e-11 2.97631745e-03 7.39232251e-03] [-4.48999193e-12 -2.97631745e-03 -7.39232251e-03] [-2.04787142e-13 2.97631747e-03 7.39232251e-03] [ 4.24660047e-12 -3.56926737e-02 -7.47112058e-03] [ 5.02612302e-13 3.56926737e-02 7.47112058e-03] [ 4.36269666e-12 -3.56926737e-02 -7.47112058e-03] [ 1.16164668e-11 3.56926737e-02 7.47112058e-03]] Final stress: [-4.60867652e-04 1.97486719e-05 -1.81305738e-04 -4.24666738e-03 8.88068115e-15 -1.47281492e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.49654973e-12 2.56302912e-02 1.18441882e-02] [-1.14478095e-11 3.07059803e-02 8.48313006e-03] [-8.17485196e-12 -3.07059803e-02 -8.48313006e-03] [ 1.43678472e-12 -2.56302912e-02 -1.18441882e-02] [-5.28428213e-13 2.56302912e-02 1.18441882e-02] [ 8.97742774e-12 3.07059803e-02 8.48313006e-03] [ 1.22550272e-11 -3.07059803e-02 -8.48313006e-03] [-3.44504980e-12 -2.56302912e-02 -1.18441882e-02] [-1.21160610e-11 -2.97595206e-03 7.39234623e-03] [-1.12441688e-11 2.97595207e-03 -7.39234624e-03] [-4.62770534e-12 -2.97595206e-03 7.39234624e-03] [-3.37519986e-12 2.97595208e-03 -7.39234623e-03] [ 4.29510290e-12 -3.56930039e-02 7.47111829e-03] [ 2.95959091e-12 3.56930039e-02 -7.47111829e-03] [ 1.08081494e-11 -3.56930039e-02 7.47111830e-03] [ 9.73191146e-12 3.56930039e-02 -7.47111829e-03]] Final stress: [-4.60883799e-04 1.97554612e-05 -1.81293542e-04 4.24667064e-03 -1.45477075e-15 3.49985508e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-3.17630503e-12 -9.84793032e-03 -1.87412884e-04] [-4.37838589e-12 -7.30376921e-03 1.11180640e-03] [-7.19153166e-12 7.30376921e-03 -1.11180640e-03] [-4.02013752e-12 9.84793032e-03 1.87412884e-04] [ 3.89740041e-12 -9.84793032e-03 -1.87412878e-04] [ 7.06209613e-12 -7.30376921e-03 1.11180640e-03] [ 4.15006180e-12 7.30376921e-03 -1.11180640e-03] [ 3.09235038e-12 9.84793032e-03 1.87412879e-04] [-1.10124843e-12 -8.57501841e-03 -1.88079835e-03] [-1.92553438e-13 8.57501841e-03 1.88079835e-03] [ 2.06942601e-12 -8.57501841e-03 -1.88079835e-03] [ 1.72442052e-12 8.57501841e-03 1.88079835e-03] [-1.47591271e-12 -1.08083711e-02 -2.48117104e-03] [-1.37241894e-12 1.08083711e-02 2.48117104e-03] [ 8.44759416e-13 -1.08083711e-02 -2.48117104e-03] [ 7.28810187e-14 1.08083711e-02 2.48117104e-03]] Final stress: [-7.10131880e-05 -3.99256262e-05 -7.18238389e-05 -1.28932936e-03 1.63963923e-14 8.27732782e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.63051136e-12 7.30377695e-03 1.11211216e-03] [-5.53137440e-12 9.84797038e-03 -1.87105597e-04] [-2.19697329e-12 -9.84797038e-03 1.87105607e-04] [-4.81877212e-12 -7.30377695e-03 -1.11211217e-03] [ 4.83606677e-12 7.30377694e-03 1.11211216e-03] [ 2.17447674e-12 9.84797038e-03 -1.87105597e-04] [ 5.50824555e-12 -9.84797038e-03 1.87105608e-04] [ 4.60764933e-12 -7.30377694e-03 -1.11211217e-03] [-3.43429929e-12 -8.57482319e-03 1.88080939e-03] [-4.49045315e-12 8.57482319e-03 -1.88080938e-03] [ 4.05103642e-12 -8.57482320e-03 1.88080938e-03] [ 2.69178516e-12 8.57482320e-03 -1.88080938e-03] [-3.30992655e-12 -1.08086013e-02 2.48117344e-03] [-2.40427272e-12 1.08086012e-02 -2.48117344e-03] [ 3.08131680e-12 -1.08086013e-02 2.48117345e-03] [ 3.86365484e-12 1.08086013e-02 -2.48117344e-03]] Final stress: [-7.10129152e-05 -3.99246769e-05 -7.18266842e-05 1.28933240e-03 -1.38531145e-14 -1.18157311e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. 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. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 1.80492502e-11 -1.50388964e-02 -9.60243461e-03] [-1.15909277e-11 -5.02926570e-02 6.75495412e-03] [ 1.88481891e-11 5.02926570e-02 -6.75495411e-03] [-2.41845788e-11 1.50388964e-02 9.60243460e-03] [ 2.54117609e-11 -1.50388964e-02 -9.60243455e-03] [-2.15836255e-11 -5.02926570e-02 6.75495407e-03] [ 1.32422552e-11 5.02926570e-02 -6.75495418e-03] [-2.12090634e-11 1.50388964e-02 9.60243465e-03] [ 5.45683145e-11 -4.78581658e-02 1.10696818e-02] [-8.40969395e-12 4.78581658e-02 -1.10696818e-02] [-3.02992835e-11 -4.78581658e-02 1.10696818e-02] [ 4.51170655e-12 4.78581658e-02 -1.10696818e-02] [ 3.08887920e-11 -4.16101208e-02 -2.70720226e-02] [-7.18528264e-12 4.16101208e-02 2.70720226e-02] [-4.70893211e-11 -4.16101208e-02 -2.70720226e-02] [ 6.04187441e-12 4.16101209e-02 2.70720226e-02]] Final stress: [-1.42018904e-03 -1.10355806e-03 -1.14835140e-03 -7.97616583e-03 5.38798892e-14 -1.49259146e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-4.44479415e-11 5.05038798e-02 6.66322758e-03] [-2.62920679e-11 1.53657486e-02 -9.70253956e-03] [-3.97968722e-11 -1.53657486e-02 9.70253956e-03] [-4.52660739e-11 -5.05038798e-02 -6.66322756e-03] [ 4.65191324e-11 5.05038798e-02 6.66322759e-03] [ 4.03541987e-11 1.53657486e-02 -9.70253955e-03] [ 2.84730512e-11 -1.53657486e-02 9.70253955e-03] [ 4.40888135e-11 -5.05038798e-02 -6.66322758e-03] [-1.46806527e-11 -4.84916972e-02 -1.09833788e-02] [-4.29342464e-11 4.84916973e-02 1.09833788e-02] [ 1.04180741e-11 -4.84916972e-02 -1.09833788e-02] [ 1.90189253e-11 4.84916973e-02 1.09833788e-02] [-8.23153047e-12 -4.19985291e-02 2.71556839e-02] [-1.60100124e-11 4.19985291e-02 -2.71556839e-02] [ 1.15113379e-11 -4.19985291e-02 2.71556839e-02] [ 3.72777783e-11 4.19985291e-02 -2.71556839e-02]] Final stress: [-1.43053256e-03 -1.10891947e-03 -1.15525177e-03 8.01820484e-03 6.36757257e-14 -7.08643056e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Summary of completed elastic constants calculation: Method: stress-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]: [[ 14.68076 2.84509 3.82917 -0. -0. 0. ] [ 2.84509 11.19051 2.68313 -0. -0. 0. ] [ 3.82917 2.68313 14.53781 0. 0. 0. ] [ -0. -0. 0. 124.89217 0. 0. ] [ -0. -0. 0. 0. 0.34365 -0. ] [ 0. 0. 0. 0. -0. -0.66691]] 95%% Error estimate [ASE units]: [[ 0.00075 0.00049 0.00038 0.00002 0. 0. ] [ 0.00049 0.00014 0.00002 0.00002 0. 0. ] [ 0.00038 0.00002 0. 0.00002 0. 0. ] [ 0.00002 0.00002 0.00002 1360.51519 0. 0. ] [ 0. 0. 0. 0. 0. 0. ] [ 0. 0. 0. 0. 0. 0.00007]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 680.257594 is too big compared to maximum elastic constant component 124.892174 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 Attempting to compute elastic constants with method stress-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 4 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 20 steps. Minimization converged after 21 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.47222893e-11 -1.75648450e+00 1.15876240e-01] [ 1.25710336e-11 -2.17866422e+00 -8.23156985e-01] [ 1.64876350e-11 2.17866422e+00 8.23156985e-01] [ 1.51639725e-11 1.75648450e+00 -1.15876240e-01] [-1.51562386e-11 -1.75648450e+00 1.15876240e-01] [-1.70838534e-11 -2.17866422e+00 -8.23156985e-01] [-1.26995738e-11 2.17866422e+00 8.23156985e-01] [-1.49761304e-11 1.75648450e+00 -1.15876240e-01] [ 1.94322052e-11 -2.84052255e-01 -1.44834690e+00] [ 1.68614680e-11 2.84052255e-01 1.44834690e+00] [-1.61914956e-11 -2.84052255e-01 -1.44834690e+00] [-1.43941638e-11 2.84052255e-01 1.44834690e+00] [ 1.42132877e-11 -2.02793232e-01 2.29067358e-01] [ 1.23795598e-11 2.02793232e-01 -2.29067358e-01] [-1.66719812e-11 -2.02793232e-01 2.29067358e-01] [-1.46586496e-11 2.02793232e-01 -2.29067358e-01]] Final stress: [ 4.38061846e-03 6.18019421e-03 -1.57371065e-02 -1.60426720e-01 -1.84132370e-14 -4.88055759e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.76750635e-11 2.17866422e+00 -8.23156985e-01] [ 1.87002289e-11 1.75648450e+00 1.15876240e-01] [ 2.12847845e-11 -1.75648450e+00 -1.15876240e-01] [ 1.88096162e-11 -2.17866422e+00 8.23156985e-01] [-1.85869304e-11 2.17866422e+00 -8.23156985e-01] [-2.15286599e-11 1.75648450e+00 1.15876240e-01] [-1.85410129e-11 -1.75648450e+00 -1.15876240e-01] [-1.80626406e-11 -2.17866422e+00 8.23156985e-01] [ 1.89700926e-11 -2.84052255e-01 1.44834690e+00] [ 1.35105564e-11 2.84052255e-01 -1.44834690e+00] [-1.70765605e-11 -2.84052255e-01 1.44834690e+00] [-1.48695479e-11 2.84052255e-01 -1.44834690e+00] [ 1.47246746e-11 -2.02793232e-01 -2.29067358e-01] [ 1.27029531e-11 2.02793232e-01 2.29067358e-01] [-1.63386278e-11 -2.02793232e-01 -2.29067358e-01] [-1.13759552e-11 2.02793232e-01 2.29067358e-01]] Final stress: [ 4.38061846e-03 6.18019421e-03 -1.57371065e-02 1.60426720e-01 -1.51726580e-14 -1.80449586e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 4.89875085e-11 -3.59495188e+00 -4.68027661e-01] [ 3.98561073e-11 -4.13346354e+00 -1.99319342e+00] [ 3.98329709e-11 4.13346354e+00 1.99319342e+00] [ 4.96103653e-11 3.59495188e+00 4.68027661e-01] [-4.89993185e-11 -3.59495188e+00 -4.68027660e-01] [-4.05597721e-11 -4.13346354e+00 -1.99319342e+00] [-4.17297179e-11 4.13346354e+00 1.99319342e+00] [-4.86073242e-11 3.59495188e+00 4.68027660e-01] [ 4.03181761e-11 2.26079338e-01 -2.99008884e+00] [ 4.11258857e-11 -2.26079339e-01 2.99008884e+00] [-2.93144725e-11 2.26079338e-01 -2.99008884e+00] [-3.08901754e-11 -2.26079339e-01 2.99008884e+00] [ 3.68082006e-11 -4.61382725e-01 4.52497427e-01] [ 3.83966764e-11 4.61382725e-01 -4.52497427e-01] [-4.66066577e-11 -4.61382725e-01 4.52497427e-01] [-4.82330530e-11 4.61382725e-01 -4.52497427e-01]] Final stress: [ 3.29117084e-01 1.06762328e-01 -2.82962584e-01 -4.50691200e-01 4.61800513e-15 1.99045889e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 15 steps. Final forces: [[ 4.00137257e-11 4.13346354e+00 -1.99319342e+00] [ 4.37560791e-11 3.59495188e+00 -4.68027661e-01] [ 4.63043807e-11 -3.59495187e+00 4.68027660e-01] [ 3.79086805e-11 -4.13346354e+00 1.99319342e+00] [-3.97283875e-11 4.13346354e+00 -1.99319342e+00] [-4.57212913e-11 3.59495188e+00 -4.68027660e-01] [-4.42295843e-11 -3.59495187e+00 4.68027660e-01] [-4.09220498e-11 -4.13346354e+00 1.99319342e+00] [ 4.03430483e-11 2.26079339e-01 2.99008885e+00] [ 4.48396615e-11 -2.26079341e-01 -2.99008884e+00] [-2.99720544e-11 2.26079340e-01 2.99008885e+00] [-3.26092497e-11 -2.26079341e-01 -2.99008884e+00] [ 3.66337638e-11 -4.61382726e-01 -4.52497426e-01] [ 3.78547880e-11 4.61382726e-01 4.52497427e-01] [-4.46363076e-11 -4.61382726e-01 -4.52497426e-01] [-4.98266476e-11 4.61382726e-01 4.52497426e-01]] Final stress: [ 3.29117084e-01 1.06762328e-01 -2.82962584e-01 4.50691200e-01 -1.09566374e-14 -8.15179378e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 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 5 steps. Minimization converged after 23 steps. Minimization converged after 22 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 23 steps. Minimization converged after 23 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.41011505e-11 -1.35557246e+00 -4.63310303e-01] [ 2.26627703e-11 -1.79212607e+00 -9.30158085e-01] [ 3.11163940e-11 1.79212607e+00 9.30158085e-01] [ 1.75375183e-11 1.35557246e+00 4.63310303e-01] [-1.79684393e-11 -1.35557246e+00 -4.63310303e-01] [-3.42222453e-11 -1.79212607e+00 -9.30158085e-01] [-2.48074994e-11 1.79212607e+00 9.30158085e-01] [-1.42207134e-11 1.35557246e+00 4.63310303e-01] [ 6.04776264e-11 5.45540565e-01 -9.47582007e-01] [ 6.50357051e-11 -5.45540565e-01 9.47582007e-01] [-2.32650502e-11 5.45540565e-01 -9.47582007e-01] [-2.90766074e-11 -5.45540565e-01 9.47582007e-01] [ 1.97479797e-11 -9.85727627e-01 -1.60348025e-02] [ 2.47894579e-11 9.85727627e-01 1.60348025e-02] [-5.31164675e-11 -9.85727627e-01 -1.60348026e-02] [-5.87863117e-11 9.85727627e-01 1.60348025e-02]] Final stress: [-2.26924153e-02 1.93512543e-02 9.12994003e-03 -1.74643367e-01 -4.99910246e-14 2.34254378e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.12278969e-11 1.79212607e+00 -9.30158085e-01] [ 2.50939517e-11 1.35557246e+00 -4.63310303e-01] [ 2.39518813e-11 -1.35557246e+00 4.63310303e-01] [ 2.19949987e-11 -1.79212607e+00 9.30158085e-01] [-2.27708422e-11 1.79212607e+00 -9.30158085e-01] [-2.33518435e-11 1.35557246e+00 -4.63310303e-01] [-2.53129241e-11 -1.35557246e+00 4.63310303e-01] [-2.16944481e-11 -1.79212607e+00 9.30158085e-01] [ 4.18434295e-11 5.45540565e-01 9.47582007e-01] [ 6.40708606e-11 -5.45540565e-01 -9.47582007e-01] [-2.41660531e-11 5.45540565e-01 9.47582007e-01] [-2.53085625e-11 -5.45540565e-01 -9.47582007e-01] [ 1.97610405e-11 -9.85727627e-01 1.60348026e-02] [ 2.14369184e-11 9.85727627e-01 -1.60348026e-02] [-3.81437540e-11 -9.85727627e-01 1.60348026e-02] [-5.86252897e-11 9.85727627e-01 -1.60348026e-02]] Final stress: [-2.26924153e-02 1.93512543e-02 9.12994003e-03 1.74643367e-01 -9.74243117e-16 9.28016310e-14] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.90534587e-12 -2.98996056e-01 1.08447484e-01] [-2.25964993e-12 -3.18417018e-01 5.84499887e-02] [-2.99915030e-12 3.18417018e-01 -5.84499887e-02] [ 9.28182010e-13 2.98996056e-01 -1.08447484e-01] [-8.16022163e-13 -2.98996056e-01 1.08447484e-01] [ 3.04632361e-12 -3.18417018e-01 5.84499887e-02] [ 2.30555451e-12 3.18417018e-01 -5.84499887e-02] [ 7.96253861e-12 2.98996056e-01 -1.08447484e-01] [ 3.95242866e-13 2.99587556e-01 -1.56181836e-01] [ 3.42658280e-12 -2.99587556e-01 1.56181836e-01] [-3.17721652e-12 2.99587556e-01 -1.56181836e-01] [-1.71518398e-12 -2.99587556e-01 1.56181836e-01] [ 2.55066367e-12 -3.35631139e-01 -2.03719747e-02] [ 1.99832769e-12 3.35631139e-01 2.03719747e-02] [-7.82855280e-13 -3.35631139e-01 -2.03719747e-02] [-2.96685848e-12 3.35631139e-01 2.03719747e-02]] Final stress: [-5.48707650e-03 3.75058894e-03 1.85457083e-03 -3.59637288e-02 -3.68082535e-14 2.21710679e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.94446965e-12 3.18415628e-01 5.84533908e-02] [-5.22081445e-12 2.98995339e-01 1.08450347e-01] [-7.26091496e-13 -2.98995339e-01 -1.08450347e-01] [-4.26013565e-12 -3.18415628e-01 -5.84533908e-02] [ 3.80347360e-12 3.18415628e-01 5.84533908e-02] [ 5.11739522e-13 2.98995339e-01 1.08450347e-01] [ 4.97062016e-12 -2.98995339e-01 -1.08450347e-01] [ 2.66074511e-12 -3.18415628e-01 -5.84533908e-02] [ 4.88045303e-12 2.99585777e-01 1.56181070e-01] [ 2.33915144e-12 -2.99585777e-01 -1.56181070e-01] [-1.89273738e-12 2.99585777e-01 1.56181070e-01] [ 1.96949661e-13 -2.99585777e-01 -1.56181070e-01] [ 2.37326044e-12 -3.35629488e-01 2.03720815e-02] [-2.43996094e-13 3.35629488e-01 -2.03720815e-02] [-4.10721481e-12 -3.35629488e-01 2.03720815e-02] [-2.33629861e-12 3.35629488e-01 -2.03720815e-02]] Final stress: [-5.48698425e-03 3.75055071e-03 1.85450029e-03 3.59636368e-02 -1.54199981e-14 1.89655082e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.71777640e-12 -9.03580804e-02 5.00852231e-02] [-1.89177623e-12 -9.55001106e-02 3.61837472e-02] [-6.64023610e-12 9.55001106e-02 -3.61837472e-02] [-7.67881418e-12 9.03580804e-02 -5.00852231e-02] [ 7.42539526e-12 -9.03580804e-02 5.00852231e-02] [ 6.23036258e-12 -9.55001106e-02 3.61837472e-02] [ 1.80352781e-12 9.55001106e-02 -3.61837472e-02] [ 5.49968014e-12 9.03580804e-02 -5.00852231e-02] [ 1.77628311e-13 1.53880859e-01 -4.60056263e-02] [ 4.03356168e-13 -1.53880859e-01 4.60056263e-02] [ 2.65426559e-12 1.53880859e-01 -4.60056263e-02] [ 2.48010119e-12 -1.53880859e-01 4.60056263e-02] [-2.16126292e-12 -1.63757712e-01 -6.21863851e-03] [-1.79605660e-12 1.63757712e-01 6.21863851e-03] [-3.09322636e-13 -1.63757712e-01 -6.21863851e-03] [-4.78452564e-13 1.63757712e-01 6.21863851e-03]] Final stress: [-2.75949736e-03 1.75139332e-03 1.09267019e-03 -1.06276511e-02 2.90048623e-14 2.36315821e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-9.79382591e-13 9.55001106e-02 3.61837472e-02] [-3.71862090e-12 9.03580804e-02 5.00852230e-02] [-3.90528994e-12 -9.03580804e-02 -5.00852230e-02] [-1.77925816e-12 -9.55001106e-02 -3.61837472e-02] [ 2.00224386e-12 9.55001106e-02 3.61837472e-02] [ 3.60738262e-12 9.03580804e-02 5.00852230e-02] [ 3.84512398e-12 -9.03580804e-02 -5.00852230e-02] [ 8.19752035e-13 -9.55001106e-02 -3.61837472e-02] [-2.53033488e-13 1.53880859e-01 4.60056263e-02] [-1.40152126e-12 -1.53880859e-01 -4.60056263e-02] [ 1.34743280e-12 1.53880859e-01 4.60056263e-02] [ 2.03194492e-12 -1.53880859e-01 -4.60056263e-02] [-1.07520546e-12 -1.63757712e-01 6.21863851e-03] [-1.76029373e-12 1.63757712e-01 -6.21863852e-03] [ 2.98424507e-13 -1.63757712e-01 6.21863852e-03] [ 9.37444756e-13 1.63757712e-01 -6.21863851e-03]] Final stress: [-2.75949735e-03 1.75139332e-03 1.09267020e-03 1.06276511e-02 3.91235635e-15 1.15633631e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Summary of completed elastic constants calculation: Method: stress-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]: [[14.68078 2.84483 3.82889 -0. 0. -0. ] [ 2.84483 11.19055 2.68315 -0. 0. 0. ] [ 3.82889 2.68315 14.53781 -0. 0. 0. ] [-0. -0. -0. 0.74349 -0. -0. ] [ 0. 0. 0. -0. 0.34365 0. ] [-0. 0. 0. -0. 0. -0.6669 ]] 95%% Error estimate [ASE units]: [[ 0.0095 0.00216 0.00193 0. 0. 0. ] [ 0.00216 0.00003 0.00021 0.00001 0. 0. ] [ 0.00193 0.00021 0. 0.00003 0. 0. ] [ 0. 0.00001 0.00003 742.26208 0. 0. ] [ 0. 0. 0. 0. 0. 0. ] [ 0. 0. 0. 0. 0. 0.00009]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 371.131040 is too big compared to maximum elastic constant component 14.680777 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000001 Attempting to compute elastic constants with method stress-condensed and step generator MaxStepGenerator(_base_step=0.1,_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 4 steps. Minimization converged after 8 steps. Minimization converged after 13 steps. Minimization converged after 8 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 7 steps. Minimization converged after 9 steps. Minimization converged after 10 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 8 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 7 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 19 steps. Minimization converged after 19 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 28 steps. Minimization converged after 28 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.07516646e-11 -1.71050813e+00 9.53802363e-02] [ 1.29682315e-11 -2.11565959e+00 -8.18652476e-01] [ 1.47050115e-11 2.11565959e+00 8.18652476e-01] [ 9.72411301e-12 1.71050813e+00 -9.53802363e-02] [-1.00728182e-11 -1.71050813e+00 9.53802363e-02] [-1.55742073e-11 -2.11565959e+00 -8.18652476e-01] [-1.40222493e-11 2.11565959e+00 8.18652476e-01] [-1.09931443e-11 1.71050813e+00 -9.53802363e-02] [ 2.02820159e-11 -2.50911133e-01 -1.40615492e+00] [ 2.06223285e-11 2.50911133e-01 1.40615492e+00] [-9.12996382e-12 -2.50911133e-01 -1.40615492e+00] [-1.06407587e-11 2.50911133e-01 1.40615492e+00] [ 7.82192106e-12 -2.07239729e-01 2.20942569e-01] [ 8.96963057e-12 2.07239729e-01 -2.20942569e-01] [-1.74307416e-11 -2.07239729e-01 2.20942569e-01] [-1.79730802e-11 2.07239729e-01 -2.20942569e-01]] Final stress: [ 3.33622129e-03 6.18647528e-03 -1.42946424e-02 -1.56103858e-01 -2.02930463e-15 -5.25354659e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.17413261e-11 2.11565959e+00 -8.18652476e-01] [ 2.02644926e-11 1.71050813e+00 9.53802363e-02] [ 2.06675990e-11 -1.71050813e+00 -9.53802363e-02] [ 1.33920505e-11 -2.11565959e+00 8.18652476e-01] [-1.42540477e-11 2.11565959e+00 -8.18652476e-01] [-2.09178929e-11 1.71050813e+00 9.53802363e-02] [-2.05207509e-11 -1.71050813e+00 -9.53802363e-02] [-1.25663262e-11 -2.11565959e+00 8.18652476e-01] [ 1.95020957e-11 -2.50911133e-01 1.40615492e+00] [ 2.01460524e-11 2.50911133e-01 -1.40615492e+00] [-1.00817641e-11 -2.50911133e-01 1.40615492e+00] [-9.61114131e-12 2.50911133e-01 -1.40615492e+00] [ 8.65262939e-12 -2.07239729e-01 -2.20942569e-01] [ 8.36638305e-12 2.07239729e-01 2.20942569e-01] [-1.71610118e-11 -2.07239729e-01 -2.20942569e-01] [-1.76121173e-11 2.07239729e-01 2.20942569e-01]] Final stress: [ 3.33622129e-03 6.18647528e-03 -1.42946424e-02 1.56103858e-01 -8.69013386e-15 4.15249964e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 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 5 steps. Minimization converged after 22 steps. Minimization converged after 23 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Summary of completed elastic constants calculation: Method: stress-condensed Step generator: MaxStepGenerator(_base_step=0.1,_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]: [[14.6675 2.84202 3.82628 0. -0. -0. ] [ 2.84202 11.19053 2.68313 -0. 0. 0. ] [ 3.82628 2.68313 14.53781 0. 0. 0. ] [ 0. -0. 0. 6.31961 -0. -0. ] [-0. 0. 0. -0. 0.33778 -0. ] [-0. 0. 0. -0. -0. -0.66693]] 95%% Error estimate [ASE units]: [[ 0.05222 0.00492 0.00316 0. 0. 0. ] [ 0.00492 0.00029 0.0002 0. 0. 0. ] [ 0.00316 0.0002 0. 0. 0. 0. ] [ 0. 0. 0. 57.30247 0. 0. ] [ 0. 0. 0. 0. 0.01421 0. ] [ 0. 0. 0. 0. 0. 0.00017]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 28.651236 is too big compared to maximum elastic constant component 14.667498 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: None of the calculations successfully completed with errors within tolerance. The last run performed had the lowest errors. R E S U L T S Elastic constants [GPa]: [[2349.99223 455.34209 613.03756 0. -0. -0. ] [ 455.34209 1792.92104 429.88547 -0. 0. 0. ] [ 613.03756 429.88547 2329.21342 0. 0. 0. ] [ 0. -0. 0. 1012.51289 -0. -0. ] [ -0. 0. 0. -0. 54.1184 -0. ] [ -0. 0. 0. -0. -0. -106.85412]] 95 %% Error estimate [GPa]: [[ 8.36695 0.78883 0.50638 0. 0. 0. ] [ 0.78883 0.0463 0.03268 0. 0. 0. ] [ 0.50638 0.03268 0. 0. 0. 0. ] [ 0. 0. 0. 9180.86808 0. 0. ] [ 0. 0. 0. 0. 2.27597 0. ] [ 0. 0. 0. 0. 0. 0.02799]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 1028.02299 Unique elastic constants for space group 63 [GPa] ['c11', 'c12', 'c13', 'c22', 'c23', 'c33', 'c44', 'c55', 'c66'] [2349.992231344102, 455.3420860951526, 613.0375638829591, 1792.921035143709, 429.8854659073228, 2329.213419014568, 1012.5128874846296, 54.11840447894096, -106.8541158976963] WARNING: Nearest isotropic state not computed.