Model name? Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004 Stoichiometric species (literal list of strings)? ['O', 'Zn'] Prototype label? A2B_cP12_205_c_a 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': 6.210400000000001e-10, 'parameter-names.source-value': ['x2'], 'parameter-values.source-value': [0.44387213], 'library-prototype-label.source-value': 'AB2_cP12_205_a_c-002', 'short-name.source-value': ['binary oxide (R. Friedrich), ICSD #87178'], 'meta.uuid': 'TE_126082600124_002-and-MO_616776018688_004-1711749062-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'Zn'] representative atom coordinates = [[0.44387213 0.44387213 0.44387213] [0. 0. 0. ]] spacegroup = 205 cell = [[6.2104, 0, 0], [0, 6.2104, 0], [0, 0, 6.2104]] ========================================= 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 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. 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Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Summary of completed elastic constants calculation: Method: energy-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0. 0. -0. 0. 0. 0.] [ 0. 0. -0. -0. -0. 0.] [-0. -0. 0. 0. 0. -0.] [ 0. -0. 0. 0. -0. -0.] [ 0. -0. 0. -0. 0. -0.] [ 0. 0. -0. -0. -0. -0.]] 95%% Error estimate [ASE units]: [[0. 0.00001 0. 0. 0. 0. ] [0.00001 0. 0. 0. 0. 0. ] [0. 0. 0.00001 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000003 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.78220932e-03 -6.75664045e-04 -6.75664046e-04] [-1.78220932e-03 6.75664045e-04 -6.75664046e-04] [-1.78220932e-03 -6.75664045e-04 6.75664047e-04] [ 1.78220932e-03 6.75664045e-04 6.75664046e-04] [-1.78220932e-03 6.75664045e-04 6.75664046e-04] [ 1.78220932e-03 -6.75664045e-04 6.75664046e-04] [ 1.78220932e-03 6.75664045e-04 -6.75664047e-04] [-1.78220932e-03 -6.75664045e-04 -6.75664046e-04] [-4.44089210e-16 2.39998993e-15 -1.37294690e-14] [ 8.18789481e-16 -1.20563282e-15 -2.25514052e-17] [-2.04697370e-15 -1.08593690e-15 -9.13765591e-16] [-2.35922393e-16 -6.62577632e-15 -2.06432094e-15]] Final stress: [-4.07596209e-04 -2.36611161e-05 -2.36611160e-05 2.16405863e-15 1.41004079e-15 2.54252615e-15] Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.32616962e-02 -1.34684227e-02 -2.58902465e-02] [ 1.79063337e-04 1.16558780e-03 -3.93623278e-03] [ 1.32617137e-02 -1.34684405e-02 2.58902645e-02] [-1.79043642e-04 1.16556844e-03 3.93621300e-03] [ 1.32616962e-02 1.34684227e-02 2.58902465e-02] [-1.79063339e-04 -1.16558780e-03 3.93623277e-03] [-1.32617137e-02 1.34684405e-02 -2.58902644e-02] [ 1.79043631e-04 -1.16556844e-03 -3.93621301e-03] [ 1.10661393e-12 -1.14480474e-12 1.17302071e-11] [ 1.56898348e-11 -6.26339258e-12 -2.69107930e-11] [ 1.36673398e-12 1.38768337e-12 1.20096225e-11] [ 2.63967667e-12 2.62564970e-12 -1.34583178e-11]] Final stress: [-1.67040856e-04 -8.49390805e-05 1.98046518e-04 1.08759069e-10 -1.30632388e-04 -5.88034975e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.68137172e-04 -1.15538928e-03 -3.93792629e-03] [ 1.32440490e-02 1.34503699e-02 -2.58792407e-02] [ 1.68140857e-04 -1.15539292e-03 3.93793001e-03] [-1.32440126e-02 1.34503329e-02 2.58792034e-02] [ 1.68137165e-04 1.15538928e-03 3.93792629e-03] [-1.32440490e-02 -1.34503699e-02 2.58792407e-02] [-1.68140880e-04 1.15539292e-03 -3.93792999e-03] [ 1.32440126e-02 -1.34503329e-02 -2.58792034e-02] [ 2.65387781e-11 -4.49369621e-12 2.03797292e-11] [ 1.06802154e-12 -1.10781783e-12 -1.32834091e-11] [ 2.99758135e-12 -4.02286624e-12 -1.28612260e-11] [-1.74710940e-13 -1.79279334e-13 1.32291400e-12]] Final stress: [-1.66874235e-04 -8.47748859e-05 1.98662844e-04 1.18983255e-10 1.30562422e-04 -9.49704967e-11] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.75664046e-04 1.78220932e-03 -6.75664045e-04] [ 6.75664047e-04 -1.78220932e-03 -6.75664045e-04] [ 6.75664046e-04 1.78220932e-03 6.75664045e-04] [-6.75664046e-04 -1.78220932e-03 6.75664045e-04] [ 6.75664046e-04 -1.78220932e-03 6.75664045e-04] [-6.75664047e-04 1.78220932e-03 6.75664045e-04] [-6.75664046e-04 -1.78220932e-03 -6.75664045e-04] [ 6.75664046e-04 1.78220932e-03 -6.75664045e-04] [-1.37338058e-14 -4.74230030e-16 2.39554470e-15] [-9.37184358e-16 -2.02615702e-15 -8.81673207e-16] [-2.02268757e-15 -1.59594560e-16 -6.41891054e-15] [-1.56125113e-17 8.25728375e-16 -1.23859256e-15]] Final stress: [-2.36611160e-05 -4.07596209e-04 -2.36611161e-05 2.53033485e-15 2.21546531e-15 1.33387415e-15] Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-2.58916980e-02 -1.32643185e-02 -1.34711060e-02] [ 2.58917134e-02 1.32643335e-02 -1.34711212e-02] [ 3.93617207e-03 -1.80679751e-04 1.16718605e-03] [-3.93618250e-03 1.80690122e-04 1.16719624e-03] [ 2.58916980e-02 1.32643185e-02 1.34711060e-02] [-2.58917133e-02 -1.32643335e-02 1.34711212e-02] [-3.93617208e-03 1.80679748e-04 -1.16718605e-03] [ 3.93618248e-03 -1.80690120e-04 -1.16719624e-03] [ 1.86751586e-11 1.92705227e-12 -1.98133610e-12] [ 2.01970177e-11 2.43913310e-12 2.47117431e-12] [-2.84638563e-11 1.02408013e-12 5.93252183e-12] [-3.69717451e-11 9.43838410e-12 -8.44185138e-12]] Final stress: [ 1.97951211e-04 -1.67064878e-04 -8.49640331e-05 1.37224574e-11 7.45301315e-11 -1.30641048e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-3.93695036e-03 -1.76737543e-04 -1.16356834e-03] [ 3.93691927e-03 1.76706557e-04 -1.16353791e-03] [ 2.58875503e-02 -1.32578779e-02 1.34645178e-02] [-2.58875621e-02 1.32578894e-02 1.34645295e-02] [ 3.93695036e-03 1.76737532e-04 1.16356834e-03] [-3.93691927e-03 -1.76706583e-04 1.16353791e-03] [-2.58875503e-02 1.32578779e-02 -1.34645178e-02] [ 2.58875621e-02 -1.32578894e-02 -1.34645295e-02] [ 1.27103328e-11 2.99375854e-11 -3.73440688e-12] [-7.36961880e-12 1.03057285e-11 -1.86832407e-12] [ 1.66044956e-12 -3.08333220e-13 -3.09707121e-13] [-3.75321996e-12 1.50245268e-13 -1.64013768e-13]] Final stress: [ 1.98172866e-04 -1.67003724e-04 -8.49046246e-05 -1.22242406e-10 -5.50338607e-11 1.30614395e-04] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.75664045e-04 -6.75664046e-04 1.78220932e-03] [ 6.75664045e-04 6.75664046e-04 1.78220932e-03] [ 6.75664045e-04 -6.75664046e-04 -1.78220932e-03] [-6.75664045e-04 6.75664047e-04 -1.78220932e-03] [ 6.75664045e-04 6.75664046e-04 -1.78220932e-03] [-6.75664045e-04 -6.75664046e-04 -1.78220932e-03] [-6.75664045e-04 6.75664046e-04 1.78220932e-03] [ 6.75664045e-04 -6.75664047e-04 1.78220932e-03] [ 2.34361142e-15 -1.33550939e-14 -4.13297868e-16] [-6.54250959e-15 -2.15799600e-15 -1.65145675e-15] [-1.82492910e-15 -5.72458747e-16 8.42381720e-15] [-7.13405029e-16 -9.96164956e-16 -2.07472928e-15]] Final stress: [-2.36611161e-05 -2.36611160e-05 -4.07596209e-04 1.25782361e-15 2.40662211e-15 2.33527393e-15] Minimization converged after 4 steps. Minimization converged after 4 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.34748656e-02 -2.58937947e-02 -1.32679929e-02] [ 1.16942181e-03 3.93603277e-03 -1.82975976e-04] [ 1.16942299e-03 -3.93603397e-03 1.82977167e-04] [-1.34748983e-02 2.58938278e-02 1.32680251e-02] [ 1.34748656e-02 2.58937947e-02 1.32679929e-02] [-1.16942181e-03 -3.93603277e-03 1.82975976e-04] [-1.16942299e-03 3.93603397e-03 -1.82977172e-04] [ 1.34748983e-02 -2.58938278e-02 -1.32680251e-02] [-4.46591548e-13 3.39673428e-12 4.44237529e-13] [ 2.25018268e-12 -9.77597170e-12 7.41814943e-12] [-7.68260455e-13 -3.37800621e-12 3.63830494e-13] [ 5.07279115e-13 5.05320785e-12 4.95439627e-13]] Final stress: [-8.49988877e-05 1.97818599e-04 -1.67098919e-04 -1.30653856e-04 9.00213852e-11 9.93233523e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 14 steps. Final forces: [[-1.17286808e-03 -3.93578031e-03 -1.86519737e-04] [ 1.34807820e-02 2.58971315e-02 -1.32737756e-02] [ 1.34807772e-02 -2.58971267e-02 1.32737709e-02] [-1.17291256e-03 3.93582575e-03 1.86565002e-04] [ 1.17286808e-03 3.93578031e-03 1.86519734e-04] [-1.34807820e-02 -2.58971315e-02 1.32737756e-02] [-1.34807772e-02 2.58971267e-02 -1.32737709e-02] [ 1.17291256e-03 -3.93582575e-03 -1.86565017e-04] [-3.29157708e-12 7.45890849e-12 1.87340352e-11] [-2.70061751e-14 2.49494869e-13 -2.41239320e-14] [ 3.08704451e-13 5.36369560e-13 -3.15750898e-13] [ 2.10092360e-14 1.42524881e-13 3.22690485e-12]] Final stress: [-8.50532961e-05 1.97612253e-04 -1.67152113e-04 1.30674035e-04 1.43631129e-10 1.16459470e-10] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 25 steps. Minimization converged after 25 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 13 steps. Minimization converged after 13 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 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 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 6 steps. Minimization converged after 6 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.11618400e-03 -4.17036752e-04 -4.17036752e-04] [-1.11618400e-03 4.17036755e-04 -4.17036755e-04] [-1.11618400e-03 -4.17036752e-04 4.17036753e-04] [ 1.11618400e-03 4.17036756e-04 4.17036756e-04] [-1.11618400e-03 4.17036752e-04 4.17036752e-04] [ 1.11618400e-03 -4.17036755e-04 4.17036755e-04] [ 1.11618400e-03 4.17036752e-04 -4.17036753e-04] [-1.11618400e-03 -4.17036756e-04 -4.17036756e-04] [-2.56739074e-16 2.15712864e-14 6.04637868e-15] [-4.51028104e-16 1.11083018e-14 -3.42607887e-16] [-5.68989300e-15 -7.80408724e-16 4.34548231e-16] [ 1.15116250e-14 3.40482850e-15 5.33861150e-15]] Final stress: [-1.93445488e-04 -1.35911187e-05 -1.35911187e-05 -1.30424443e-15 1.75308568e-14 1.94728804e-15] Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.17036708e-04 1.11618405e-03 -4.17036708e-04] [ 4.17036708e-04 -1.11618405e-03 -4.17036708e-04] [ 4.17036709e-04 1.11618405e-03 4.17036708e-04] [-4.17036708e-04 -1.11618405e-03 4.17036708e-04] [ 4.17036708e-04 -1.11618405e-03 4.17036708e-04] [-4.17036708e-04 1.11618405e-03 4.17036708e-04] [-4.17036709e-04 -1.11618405e-03 -4.17036708e-04] [ 4.17036708e-04 1.11618405e-03 -4.17036708e-04] [ 1.17380064e-14 1.64392154e-15 1.63406073e-14] [-8.84708973e-17 -5.12090370e-15 -2.49800181e-16] [ 1.14344298e-14 5.65519853e-15 -3.68498634e-15] [-3.72965547e-16 1.23789867e-14 1.23260777e-14]] Final stress: [-1.35911182e-05 -1.93445488e-04 -1.35911182e-05 2.17149766e-15 -2.55679448e-15 -1.31407717e-16] Minimization converged after 2 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.17036847e-04 -4.17036847e-04 1.11618391e-03] [ 4.17036848e-04 4.17036848e-04 1.11618391e-03] [ 4.17036848e-04 -4.17036848e-04 -1.11618391e-03] [-4.17036845e-04 4.17036846e-04 -1.11618391e-03] [ 4.17036847e-04 4.17036847e-04 -1.11618391e-03] [-4.17036848e-04 -4.17036848e-04 -1.11618391e-03] [-4.17036848e-04 4.17036848e-04 1.11618391e-03] [ 4.17036845e-04 -4.17036846e-04 1.11618391e-03] [ 9.14502848e-15 1.13346832e-14 -1.49435585e-15] [-2.76124609e-15 1.69178907e-14 -8.16013923e-15] [ 1.76473419e-14 3.25781069e-15 -8.22952817e-15] [ 4.17200996e-15 -2.46981255e-15 4.74620343e-15]] Final stress: [-1.35911198e-05 -1.35911198e-05 -1.93445489e-04 9.68098243e-15 -3.71778986e-15 -4.19385097e-15] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 11 steps. Minimization converged after 11 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 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. 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 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 0 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. 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]: [[ 0. 0. 0. -0. -0. -0.] [ 0. 0. -0. -0. 0. 0.] [ 0. -0. 0. 0. -0. -0.] [-0. -0. 0. 0. -0. -0.] [-0. 0. -0. -0. 0. -0.] [-0. 0. -0. -0. -0. 0.]] 95%% Error estimate [ASE units]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.05602774e-01 3.13884872e-02 1.04557202e-01] [-1.05602774e-01 -3.13884872e-02 1.04557202e-01] [-1.05602774e-01 3.13884872e-02 -1.04557202e-01] [ 1.05602774e-01 -3.13884872e-02 -1.04557202e-01] [-1.05602774e-01 -3.13884872e-02 -1.04557202e-01] [ 1.05602774e-01 3.13884872e-02 -1.04557202e-01] [ 1.05602774e-01 -3.13884872e-02 1.04557202e-01] [-1.05602774e-01 3.13884872e-02 1.04557202e-01] [ 2.72559753e-14 -1.29896094e-14 -2.74918976e-14] [ 2.31759056e-14 -1.76525461e-14 2.28567165e-14] [-2.02893258e-14 -1.55431223e-15 1.96648253e-14] [-8.43769499e-15 -6.10622664e-15 -8.38218384e-15]] Final stress: [1.21550280e-03 3.44897511e-03 1.19155259e-03 1.85419298e-17 1.57977242e-15 6.61807831e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.13884887e-02 1.05602776e-01 1.04557204e-01] [-3.13884887e-02 -1.05602776e-01 1.04557204e-01] [-3.13884887e-02 1.05602776e-01 -1.04557204e-01] [ 3.13884887e-02 -1.05602776e-01 -1.04557204e-01] [-3.13884887e-02 -1.05602776e-01 -1.04557204e-01] [ 3.13884887e-02 1.05602776e-01 -1.04557204e-01] [ 3.13884887e-02 -1.05602776e-01 1.04557204e-01] [-3.13884887e-02 1.05602776e-01 1.04557204e-01] [-1.25455202e-14 -3.48332474e-14 3.37646577e-14] [ 1.44328993e-15 -1.41275880e-14 -1.37390099e-14] [-2.97539771e-14 1.80827575e-14 1.75831572e-14] [-3.33066907e-15 2.22183383e-14 -2.21211938e-14]] Final stress: [3.44897513e-03 1.21550281e-03 1.19155261e-03 2.50849133e-15 2.96479664e-15 8.37353551e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.44030192e-02 -2.44030234e-02 1.04785681e-01] [ 2.44030192e-02 2.44030234e-02 1.04785681e-01] [ 2.44030192e-02 -2.44030234e-02 -1.04785681e-01] [-2.44030192e-02 2.44030234e-02 -1.04785681e-01] [ 2.44030192e-02 2.44030234e-02 -1.04785681e-01] [-2.44030192e-02 -2.44030234e-02 -1.04785681e-01] [-2.44030192e-02 2.44030234e-02 1.04785681e-01] [ 2.44030192e-02 -2.44030234e-02 1.04785681e-01] [ 3.50830476e-14 -1.05471187e-15 -1.79509185e-14] [-8.60422844e-15 2.17603713e-14 6.57349067e-15] [ 1.78745907e-14 1.16573418e-14 3.01980663e-14] [ 1.36557432e-14 1.32671651e-14 -3.18634008e-14]] Final stress: [ 2.89645155e-04 2.89635259e-04 1.18160062e-03 -3.29052766e-15 -7.36798231e-15 -6.23109980e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.05602777e-01 1.04557205e-01 3.13884902e-02] [-1.05602777e-01 -1.04557205e-01 3.13884902e-02] [-1.05602777e-01 1.04557205e-01 -3.13884902e-02] [ 1.05602777e-01 -1.04557205e-01 -3.13884902e-02] [-1.05602777e-01 -1.04557205e-01 -3.13884902e-02] [ 1.05602777e-01 1.04557205e-01 -3.13884902e-02] [ 1.05602777e-01 -1.04557205e-01 3.13884902e-02] [-1.05602777e-01 1.04557205e-01 3.13884902e-02] [-3.09197112e-14 2.99066327e-14 -3.23074900e-14] [ 1.52794444e-14 -1.54459778e-14 9.21485110e-15] [-5.78703752e-15 -5.67601521e-15 -1.22124533e-15] [ 2.07056594e-14 2.06917816e-14 -1.78745907e-14]] Final stress: [ 1.21550283e-03 1.19155262e-03 3.44897515e-03 -1.52182889e-15 3.63143696e-15 -4.31563417e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.13884812e-02 1.04557198e-01 1.05602770e-01] [-3.13884812e-02 -1.04557198e-01 1.05602770e-01] [-3.13884812e-02 1.04557198e-01 -1.05602770e-01] [ 3.13884812e-02 -1.04557198e-01 -1.05602770e-01] [-3.13884812e-02 -1.04557198e-01 -1.05602770e-01] [ 3.13884812e-02 1.04557198e-01 -1.05602770e-01] [ 3.13884812e-02 -1.04557198e-01 1.05602770e-01] [-3.13884812e-02 1.04557198e-01 1.05602770e-01] [-4.32986980e-15 -2.29261055e-14 2.25514052e-14] [ 3.33066907e-16 -4.80171458e-15 -4.59354776e-15] [-2.22044605e-16 2.85466095e-14 2.89074320e-14] [ 7.43849426e-15 7.52176099e-15 -7.84095011e-15]] Final stress: [ 3.44897502e-03 1.19155254e-03 1.21550275e-03 -3.45297088e-15 3.83383371e-15 9.88284860e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.44030234e-02 1.04785681e-01 -2.44030192e-02] [ 2.44030234e-02 -1.04785681e-01 -2.44030192e-02] [ 2.44030234e-02 1.04785681e-01 2.44030192e-02] [-2.44030234e-02 -1.04785681e-01 2.44030192e-02] [ 2.44030234e-02 -1.04785681e-01 2.44030192e-02] [-2.44030234e-02 1.04785681e-01 2.44030192e-02] [-2.44030234e-02 -1.04785681e-01 -2.44030192e-02] [ 2.44030234e-02 1.04785681e-01 -2.44030192e-02] [ 2.77555756e-14 -3.57353036e-15 -2.19338436e-14] [ 3.94129174e-15 3.50136586e-14 1.38777878e-14] [ 7.10542736e-15 -5.17308093e-15 1.80411242e-14] [-1.50435220e-14 -2.98372438e-14 1.77635684e-15]] Final stress: [ 2.89635259e-04 1.18160062e-03 2.89645155e-04 -1.97772157e-15 3.32221282e-15 3.16851614e-15] Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.32029930e-02 4.24585268e-02 3.24126746e-02] [ 5.72945875e-03 5.68821372e-03 -5.67216416e-03] [-4.32029930e-02 4.24585268e-02 -3.24126746e-02] [-5.72945875e-03 5.68821372e-03 5.67216416e-03] [-4.32029930e-02 -4.24585268e-02 -3.24126746e-02] [-5.72945875e-03 -5.68821372e-03 5.67216416e-03] [ 4.32029930e-02 -4.24585268e-02 3.24126746e-02] [ 5.72945875e-03 -5.68821372e-03 -5.67216416e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.64798730e-15 -1.46410661e-15 2.49800181e-16] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.77635684e-15 -7.15399961e-15 5.39041034e-13]] Final stress: [ 2.13834392e-04 2.05776065e-04 1.08038875e-03 -9.52447278e-15 2.27886211e-04 -1.24075908e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.72945872e-03 -5.68821369e-03 -5.67216413e-03] [-4.32029929e-02 -4.24585267e-02 3.24126745e-02] [ 5.72945872e-03 -5.68821369e-03 5.67216414e-03] [ 4.32029929e-02 -4.24585267e-02 -3.24126745e-02] [ 5.72945872e-03 5.68821369e-03 5.67216413e-03] [ 4.32029929e-02 4.24585267e-02 -3.24126745e-02] [-5.72945872e-03 5.68821369e-03 -5.67216414e-03] [-4.32029929e-02 4.24585267e-02 3.24126745e-02] [-5.65519853e-15 7.92074739e-15 -2.25486296e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.10328413e-15 3.51801921e-15 2.23376873e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 2.13834392e-04 2.05776065e-04 1.08038875e-03 -1.63637532e-14 -2.27886211e-04 3.29238258e-14] Minimization converged after 20 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.31948184e-02 3.23923241e-02 4.24506339e-02] [-4.31948184e-02 -3.23923241e-02 4.24506339e-02] [ 5.73034597e-03 -5.67304251e-03 5.68899610e-03] [-5.73034597e-03 5.67304251e-03 5.68899610e-03] [-4.31948184e-02 -3.23923241e-02 -4.24506339e-02] [ 4.31948184e-02 3.23923241e-02 -4.24506339e-02] [-5.73034597e-03 5.67304251e-03 -5.68899610e-03] [ 5.73034597e-03 -5.67304251e-03 -5.68899610e-03] [-9.97465999e-15 8.68000116e-13 2.00325867e-14] [-2.16840434e-15 3.79696274e-13 -6.25888230e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [2.13782311e-04 1.08022699e-03 2.05728374e-04 4.58441877e-16 3.32343110e-15 2.27775069e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.73032547e-03 -5.67302222e-03 -5.68897576e-03] [ 5.73032546e-03 5.67302221e-03 -5.68897575e-03] [-4.31947487e-02 3.23922358e-02 -4.24505657e-02] [ 4.31947487e-02 -3.23922358e-02 -4.24505657e-02] [ 5.73032547e-03 5.67302222e-03 5.68897576e-03] [-5.73032546e-03 -5.67302221e-03 5.68897575e-03] [ 4.31947487e-02 -3.23922358e-02 4.24505657e-02] [-4.31947487e-02 3.23922358e-02 4.24505657e-02] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 4.55538385e-15 2.23460139e-13 -7.65706942e-15] [ 4.23272528e-16 1.92346139e-14 9.78384040e-16]] Final stress: [ 2.13782031e-04 1.08022649e-03 2.05728109e-04 -1.04633292e-14 -3.15047270e-14 -2.27774444e-04] Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.04557203e-01 1.05602776e-01 3.13884887e-02] [-1.04557203e-01 -1.05602776e-01 3.13884887e-02] [-1.04557203e-01 1.05602776e-01 -3.13884887e-02] [ 1.04557204e-01 -1.05602776e-01 -3.13884887e-02] [-1.04557203e-01 -1.05602776e-01 -3.13884887e-02] [ 1.04557203e-01 1.05602776e-01 -3.13884887e-02] [ 1.04557203e-01 -1.05602776e-01 3.13884887e-02] [-1.04557204e-01 1.05602776e-01 3.13884887e-02] [-3.96210842e-14 3.92463839e-14 -2.96429548e-14] [ 2.49106291e-14 -2.55490074e-14 1.77635684e-14] [-1.39749323e-14 -1.39055434e-14 3.44169138e-15] [ 2.20101715e-14 2.23571162e-14 -1.31006317e-14]] Final stress: [ 1.19155261e-03 1.21550281e-03 3.44897513e-03 6.20667924e-15 3.85115883e-15 -4.33742094e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.04557204e-01 3.13884887e-02 1.05602776e-01] [-1.04557204e-01 -3.13884887e-02 1.05602776e-01] [-1.04557204e-01 3.13884887e-02 -1.05602776e-01] [ 1.04557204e-01 -3.13884887e-02 -1.05602776e-01] [-1.04557204e-01 -3.13884887e-02 -1.05602776e-01] [ 1.04557204e-01 3.13884887e-02 -1.05602776e-01] [ 1.04557204e-01 -3.13884887e-02 1.05602776e-01] [-1.04557204e-01 3.13884887e-02 1.05602776e-01] [ 3.38756800e-14 -1.25455202e-14 -3.49442697e-14] [ 1.73611125e-14 -2.97539771e-14 1.78745907e-14] [-2.21211938e-14 -3.33066907e-15 2.22183383e-14] [-1.14491749e-14 1.18793864e-14 -1.18238752e-14]] Final stress: [1.19155261e-03 3.44897513e-03 1.21550281e-03 8.39207744e-15 2.47859247e-15 3.03716811e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.04785681e-01 -2.44030192e-02 -2.44030234e-02] [-1.04785681e-01 2.44030192e-02 -2.44030234e-02] [-1.04785681e-01 -2.44030192e-02 2.44030234e-02] [ 1.04785681e-01 2.44030192e-02 2.44030234e-02] [-1.04785681e-01 2.44030192e-02 2.44030234e-02] [ 1.04785681e-01 -2.44030192e-02 2.44030234e-02] [ 1.04785681e-01 2.44030192e-02 -2.44030234e-02] [-1.04785681e-01 -2.44030192e-02 -2.44030234e-02] [-2.04697370e-15 -1.65700786e-14 3.81916720e-14] [-2.05530037e-14 1.19904087e-14 -1.89293026e-14] [ 9.85322934e-15 2.30926389e-14 2.45359288e-14] [-2.43183837e-15 2.24820162e-14 1.72084569e-14]] Final stress: [ 1.18160062e-03 2.89645155e-04 2.89635259e-04 -2.68898250e-15 -8.34833066e-15 -8.08870150e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.24506680e-02 4.31948533e-02 3.23923683e-02] [ 5.68900628e-03 5.73035623e-03 -5.67305266e-03] [ 5.68900628e-03 -5.73035623e-03 5.67305267e-03] [ 4.24506680e-02 -4.31948533e-02 -3.23923683e-02] [-4.24506680e-02 -4.31948533e-02 -3.23923683e-02] [-5.68900628e-03 -5.73035623e-03 5.67305266e-03] [-5.68900628e-03 5.73035623e-03 -5.67305267e-03] [-4.24506680e-02 4.31948533e-02 3.23923683e-02] [ 2.36685671e-14 -1.36626821e-14 8.88872309e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 9.36750677e-16 4.78783679e-15 3.90798505e-13]] Final stress: [ 2.05728506e-04 2.13782452e-04 1.08022724e-03 2.27775381e-04 -9.97637450e-15 1.35703615e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.68897067e-03 -5.73032034e-03 -5.67301714e-03] [-4.24505487e-02 -4.31947313e-02 3.23922137e-02] [-4.24505487e-02 4.31947313e-02 -3.23922137e-02] [-5.68897066e-03 5.73032033e-03 5.67301713e-03] [ 5.68897067e-03 5.73032034e-03 5.67301714e-03] [ 4.24505487e-02 4.31947313e-02 -3.23922137e-02] [ 4.24505487e-02 -4.31947313e-02 3.23922137e-02] [ 5.68897066e-03 -5.73032033e-03 -5.67301713e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-7.11236625e-15 4.48599491e-15 1.82909243e-13] [ 4.08006962e-15 3.45209972e-15 2.40640841e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 2.05728043e-04 2.13781960e-04 1.08022637e-03 -2.27774288e-04 -1.16535225e-14 -3.64078923e-14] Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.24127409e-02 4.32030453e-02 4.24585779e-02] [-3.24127409e-02 -4.32030453e-02 4.24585779e-02] [ 5.67217938e-03 -5.72947412e-03 5.68822897e-03] [-5.67217938e-03 5.72947413e-03 5.68822897e-03] [-3.24127409e-02 -4.32030453e-02 -4.24585779e-02] [ 3.24127409e-02 4.32030453e-02 -4.24585779e-02] [-5.67217938e-03 5.72947412e-03 -5.68822897e-03] [ 5.67217938e-03 -5.72947413e-03 -5.68822897e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 5.25246513e-13 -2.41820453e-15 -7.25114413e-15] [-3.46667139e-14 1.74513182e-15 -2.27248775e-15]] Final stress: [ 1.08038913e-03 2.13834603e-04 2.05776264e-04 -3.00761049e-14 -1.20288356e-14 2.27886680e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.67218951e-03 -5.72948436e-03 -5.68823912e-03] [ 5.67218951e-03 5.72948436e-03 -5.68823912e-03] [-3.24127850e-02 4.32030800e-02 -4.24586119e-02] [ 3.24127850e-02 -4.32030800e-02 -4.24586119e-02] [ 5.67218951e-03 5.72948436e-03 5.68823912e-03] [-5.67218951e-03 -5.72948436e-03 5.68823912e-03] [ 3.24127850e-02 -4.32030800e-02 4.24586119e-02] [-3.24127850e-02 4.32030800e-02 4.24586119e-02] [ 2.02171613e-13 2.84494650e-15 -4.51721993e-15] [ 2.22322161e-13 9.71445147e-17 2.51881849e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 1.08038938e-03 2.13834743e-04 2.05776396e-04 7.32589086e-15 -1.01980513e-15 -2.27886991e-04] Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 4.24586120e-02 3.24127850e-02 4.32030801e-02] [ 5.68823914e-03 5.67218952e-03 -5.72948437e-03] [ 5.68823914e-03 -5.67218953e-03 5.72948437e-03] [ 4.24586120e-02 -3.24127850e-02 -4.32030801e-02] [-4.24586120e-02 -3.24127850e-02 -4.32030801e-02] [-5.68823914e-03 -5.67218952e-03 5.72948437e-03] [-5.68823914e-03 5.67218953e-03 -5.72948437e-03] [-4.24586120e-02 3.24127850e-02 4.32030801e-02] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-4.85375629e-15 1.80216952e-13 -2.97331604e-15] [-3.46944695e-16 1.64035452e-14 4.44089210e-16] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 2.05776396e-04 1.08038938e-03 2.13834743e-04 2.27886992e-04 -9.52022741e-15 -6.31443304e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.68821878e-03 -5.67216922e-03 -5.72946385e-03] [-4.24585438e-02 -3.24126967e-02 4.32030103e-02] [-4.24585438e-02 3.24126967e-02 -4.32030103e-02] [-5.68821878e-03 5.67216921e-03 5.72946385e-03] [ 5.68821878e-03 5.67216922e-03 5.72946385e-03] [ 4.24585438e-02 3.24126967e-02 -4.32030103e-02] [ 4.24585438e-02 -3.24126967e-02 4.32030103e-02] [ 5.68821878e-03 -5.67216921e-03 -5.72946385e-03] [ 1.07171216e-14 -3.57047725e-13 -7.11583570e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.56125113e-16 1.75415238e-14 -2.22044605e-16]] Final stress: [ 2.05776131e-04 1.08038888e-03 2.13834462e-04 -2.27886367e-04 -3.59100373e-15 -2.12245222e-15] Minimization converged after 20 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[ 3.23921915e-02 4.24505316e-02 4.31947138e-02] [ 5.67301204e-03 5.68896557e-03 -5.73031519e-03] [-3.23921915e-02 4.24505316e-02 -4.31947138e-02] [-5.67301204e-03 5.68896557e-03 5.73031519e-03] [-3.23921915e-02 -4.24505316e-02 -4.31947138e-02] [-5.67301204e-03 -5.68896557e-03 5.73031519e-03] [ 3.23921915e-02 -4.24505316e-02 4.31947138e-02] [ 5.67301204e-03 -5.68896557e-03 -5.73031519e-03] [ 3.62210262e-14 8.97545926e-15 -7.46278039e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.79911641e-13 1.50296442e-14 1.27224620e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 1.08022624e-03 2.05727976e-04 2.13781890e-04 -1.95922086e-14 2.27774132e-04 -2.37304340e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 5 steps. Final forces: [[-5.67303742e-03 -5.68899100e-03 -5.73034083e-03] [-3.23923019e-02 -4.24506168e-02 4.31948009e-02] [ 5.67303743e-03 -5.68899101e-03 5.73034083e-03] [ 3.23923019e-02 -4.24506168e-02 -4.31948009e-02] [ 5.67303742e-03 5.68899100e-03 5.73034083e-03] [ 3.23923019e-02 4.24506168e-02 -4.31948009e-02] [-5.67303743e-03 5.68899101e-03 -5.73034083e-03] [-3.23923019e-02 4.24506168e-02 4.31948009e-02] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.35808031e-13 -1.38951350e-14 -1.18412224e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.79689597e-13 -3.85802501e-15 2.09207651e-15]] Final stress: [ 1.08022686e-03 2.05728307e-04 2.13782241e-04 2.73586133e-14 -2.27774912e-04 3.65147148e-15] Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 17 steps. Minimization converged after 17 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 2 steps. Final forces: [[ 1.85487230e-03 -5.14462677e-03 1.84335135e-03] [-1.85487230e-03 5.14462677e-03 1.84335135e-03] [-1.85487230e-03 -5.14462677e-03 -1.84335135e-03] [ 1.85487230e-03 5.14462677e-03 -1.84335135e-03] [-1.85487230e-03 5.14462677e-03 -1.84335135e-03] [ 1.85487230e-03 -5.14462677e-03 -1.84335135e-03] [ 1.85487230e-03 5.14462677e-03 1.84335135e-03] [-1.85487230e-03 -5.14462677e-03 1.84335135e-03] [-4.58313942e-15 -6.32827124e-15 4.55191440e-15] [-3.36536354e-16 1.29896094e-14 -3.57353036e-16] [-2.87617152e-15 2.92543767e-14 2.85882429e-15] [ 1.17961196e-16 1.72084569e-14 1.00613962e-16]] Final stress: [ 2.17009289e-05 -2.43293483e-03 2.14321893e-05 -1.31593327e-15 -6.11461095e-15 -3.92479764e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.14462677e-03 1.85487230e-03 1.84335135e-03] [ 5.14462677e-03 -1.85487230e-03 1.84335135e-03] [ 5.14462677e-03 1.85487230e-03 -1.84335135e-03] [-5.14462677e-03 -1.85487230e-03 -1.84335135e-03] [ 5.14462677e-03 -1.85487230e-03 -1.84335135e-03] [-5.14462677e-03 1.85487230e-03 -1.84335135e-03] [-5.14462677e-03 -1.85487230e-03 1.84335135e-03] [ 5.14462677e-03 1.85487230e-03 1.84335135e-03] [ 1.19904087e-14 -4.47905601e-15 4.47558657e-15] [-3.10862447e-15 -6.45317133e-16 -6.93889390e-16] [ 1.29896094e-14 -3.36536354e-16 -3.57353036e-16] [ 1.08246745e-14 6.34908792e-16 -7.11236625e-16]] Final stress: [-2.43293483e-03 2.17009289e-05 2.14321893e-05 -6.80285124e-15 1.82557351e-15 -6.49669628e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.20709663e-03 -9.20707161e-03 2.54448679e-02] [ 9.20709663e-03 9.20707161e-03 2.54448679e-02] [ 9.20709663e-03 -9.20707161e-03 -2.54448679e-02] [-9.20709663e-03 9.20707161e-03 -2.54448679e-02] [ 9.20709663e-03 9.20707161e-03 -2.54448679e-02] [-9.20709663e-03 -9.20707161e-03 -2.54448679e-02] [-9.20709663e-03 9.20707161e-03 2.54448679e-02] [ 9.20709663e-03 -9.20707161e-03 2.54448679e-02] [-1.66533454e-14 1.34614542e-14 1.37043155e-14] [ 8.32667268e-15 6.77236045e-15 -2.53144605e-15] [ 3.55271368e-15 -7.54951657e-15 -4.37150316e-15] [ 1.22124533e-14 -9.99200722e-15 -7.77156117e-16]] Final stress: [-1.60084453e-03 -1.60084496e-03 2.96248760e-04 -1.28132669e-15 4.06434011e-15 -2.89964700e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.85487230e-03 1.84335135e-03 -5.14462677e-03] [-1.85487230e-03 -1.84335135e-03 -5.14462677e-03] [-1.85487230e-03 1.84335135e-03 5.14462677e-03] [ 1.85487230e-03 -1.84335135e-03 5.14462677e-03] [-1.85487230e-03 -1.84335135e-03 5.14462677e-03] [ 1.85487230e-03 1.84335135e-03 5.14462677e-03] [ 1.85487230e-03 -1.84335135e-03 -5.14462677e-03] [-1.85487230e-03 1.84335135e-03 -5.14462677e-03] [-9.95731275e-16 9.99200722e-16 -4.32986980e-15] [ 1.14144805e-15 -1.15532584e-15 1.21014310e-14] [-6.90419943e-16 -6.41847686e-16 -2.55351296e-15] [ 2.11636264e-16 2.15105711e-16 7.60502772e-15]] Final stress: [ 2.17009289e-05 2.14321893e-05 -2.43293483e-03 3.77600772e-15 -3.78637898e-15 -4.42302369e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.14462677e-03 1.84335135e-03 1.85487230e-03] [ 5.14462677e-03 -1.84335135e-03 1.85487230e-03] [ 5.14462677e-03 1.84335135e-03 -1.85487230e-03] [-5.14462677e-03 -1.84335135e-03 -1.85487230e-03] [ 5.14462677e-03 -1.84335135e-03 -1.85487230e-03] [-5.14462677e-03 1.84335135e-03 -1.85487230e-03] [-5.14462677e-03 -1.84335135e-03 1.85487230e-03] [ 5.14462677e-03 1.84335135e-03 1.85487230e-03] [-1.12132525e-14 7.70217223e-15 -7.87564458e-15] [-6.21724894e-15 2.98719383e-15 3.05311332e-15] [ 1.19904087e-14 -5.41233725e-16 -4.71844785e-16] [ 6.05071548e-15 -3.89271948e-15 3.57006091e-15]] Final stress: [-2.43293483e-03 2.14321893e-05 2.17009289e-05 8.60524875e-16 -1.01269849e-14 -5.09918349e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.20707162e-03 2.54448679e-02 -9.20709663e-03] [ 9.20707162e-03 -2.54448679e-02 -9.20709663e-03] [ 9.20707161e-03 2.54448679e-02 9.20709663e-03] [-9.20707162e-03 -2.54448679e-02 9.20709663e-03] [ 9.20707162e-03 -2.54448679e-02 9.20709663e-03] [-9.20707162e-03 2.54448679e-02 9.20709663e-03] [-9.20707161e-03 -2.54448679e-02 -9.20709663e-03] [ 9.20707162e-03 2.54448679e-02 -9.20709663e-03] [ 1.69309011e-14 3.70536934e-15 -9.26342336e-15] [ 3.33066907e-15 2.53963517e-15 1.23789867e-14] [ 2.12607709e-14 -3.84755230e-15 4.05231404e-15] [-2.77555756e-16 -1.80411242e-15 5.55111512e-15]] Final stress: [-1.60084496e-03 2.96248759e-04 -1.60084453e-03 -5.11943990e-15 4.31027974e-15 -4.15562877e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-3.92635892e-03 -8.31093226e-03 -8.31093226e-03] [ 7.04530009e-03 6.95778084e-03 -6.95778084e-03] [ 7.04530007e-03 -6.95778081e-03 6.95778081e-03] [-3.92635890e-03 8.31093223e-03 8.31093223e-03] [ 3.92635893e-03 8.31093226e-03 8.31093226e-03] [-7.04530009e-03 -6.95778084e-03 6.95778084e-03] [-7.04530007e-03 6.95778081e-03 -6.95778081e-03] [ 3.92635890e-03 -8.31093223e-03 -8.31093223e-03] [ 1.10033510e-13 -1.10585152e-13 2.08534578e-13] [-2.95988060e-13 5.32650313e-13 -2.98197231e-13] [-4.15119328e-15 -3.90104615e-14 3.82853471e-15] [-3.00479260e-13 -3.02653735e-13 5.49699175e-13]] Final stress: [-6.34578957e-05 -1.93818927e-06 -1.93818928e-06 -3.19865372e-05 -1.58460789e-14 -1.53716741e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-7.04522128e-03 -6.95770301e-03 -6.95770301e-03] [ 3.92640693e-03 8.31097887e-03 -8.31097887e-03] [ 3.92640697e-03 -8.31097892e-03 8.31097892e-03] [-7.04522131e-03 6.95770303e-03 6.95770303e-03] [ 7.04522128e-03 6.95770301e-03 6.95770301e-03] [-3.92640693e-03 -8.31097887e-03 8.31097887e-03] [-3.92640697e-03 8.31097892e-03 -8.31097892e-03] [ 7.04522131e-03 -6.95770303e-03 -6.95770303e-03] [ 2.89076922e-13 -5.99041650e-13 -2.89874028e-13] [-3.77345724e-14 3.77137557e-14 8.90676422e-14] [-1.77909770e-13 -1.77914974e-13 -3.76795817e-13] [ 3.07037382e-14 6.90697499e-14 3.05424089e-14]] Final stress: [-6.34577101e-05 -1.93807107e-06 -1.93807107e-06 3.19872434e-05 -5.87498065e-14 2.12513209e-13] Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 17 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 2 steps. Final forces: [[ 1.84335135e-03 1.85487230e-03 -5.14462677e-03] [-1.84335135e-03 -1.85487230e-03 -5.14462677e-03] [-1.84335135e-03 1.85487230e-03 5.14462677e-03] [ 1.84335135e-03 -1.85487230e-03 5.14462677e-03] [-1.84335135e-03 -1.85487230e-03 5.14462677e-03] [ 1.84335135e-03 1.85487230e-03 5.14462677e-03] [ 1.84335135e-03 -1.85487230e-03 -5.14462677e-03] [-1.84335135e-03 1.85487230e-03 -5.14462677e-03] [ 4.38538095e-15 -4.51721993e-15 -8.60422844e-15] [-6.86950496e-16 6.10622664e-16 5.93969318e-15] [-3.18148285e-15 -3.20576898e-15 3.49720253e-14] [ 3.92047506e-16 4.40619763e-16 8.77076189e-15]] Final stress: [ 2.14321893e-05 2.17009289e-05 -2.43293483e-03 -4.00701450e-15 -1.74642747e-15 -5.54126569e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.84335135e-03 -5.14462677e-03 1.85487230e-03] [-1.84335135e-03 5.14462677e-03 1.85487230e-03] [-1.84335135e-03 -5.14462677e-03 -1.85487230e-03] [ 1.84335135e-03 5.14462677e-03 -1.85487230e-03] [-1.84335135e-03 5.14462677e-03 -1.85487230e-03] [ 1.84335135e-03 -5.14462677e-03 -1.85487230e-03] [ 1.84335135e-03 5.14462677e-03 1.85487230e-03] [-1.84335135e-03 -5.14462677e-03 1.85487230e-03] [-5.90152927e-15 -2.21489493e-14 5.79397641e-15] [-5.41233725e-16 1.19904087e-14 -4.71844785e-16] [ 3.19883009e-15 -1.36557432e-14 -3.42781359e-15] [ 8.25728375e-16 3.33066907e-16 8.77770079e-16]] Final stress: [ 2.14321893e-05 -2.43293483e-03 2.17009289e-05 2.59571198e-15 -2.65104468e-16 -1.70115315e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.54448679e-02 -9.20709662e-03 -9.20707161e-03] [-2.54448679e-02 9.20709662e-03 -9.20707161e-03] [-2.54448679e-02 -9.20709662e-03 9.20707160e-03] [ 2.54448679e-02 9.20709662e-03 9.20707161e-03] [-2.54448679e-02 9.20709662e-03 9.20707161e-03] [ 2.54448679e-02 -9.20709662e-03 9.20707161e-03] [ 2.54448679e-02 9.20709662e-03 -9.20707160e-03] [-2.54448679e-02 -9.20709662e-03 -9.20707161e-03] [-2.52575738e-15 -1.65562009e-14 1.00475184e-14] [-3.53883589e-15 1.11022302e-16 -8.54871729e-15] [ 1.24206201e-14 -8.27116153e-15 1.54321000e-14] [-1.48582420e-14 2.19824159e-14 -4.55191440e-15]] Final stress: [ 2.96248760e-04 -1.60084453e-03 -1.60084496e-03 -4.03594441e-15 -1.72850032e-15 -2.20054953e-15] Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.31094390e-03 -3.92637092e-03 -8.31094390e-03] [ 6.95776133e-03 7.04528034e-03 -6.95776133e-03] [ 8.31094389e-03 -3.92637092e-03 8.31094389e-03] [-6.95776135e-03 7.04528036e-03 6.95776135e-03] [ 8.31094390e-03 3.92637092e-03 8.31094390e-03] [-6.95776133e-03 -7.04528034e-03 6.95776133e-03] [-8.31094389e-03 3.92637092e-03 -8.31094390e-03] [ 6.95776135e-03 -7.04528036e-03 -6.95776135e-03] [-6.95207780e-14 -2.25574767e-14 2.19043533e-14] [-1.86442875e-13 1.85606738e-13 3.78468090e-13] [ 3.55923624e-13 -2.13859312e-13 -2.15773580e-13] [-2.16285323e-13 -2.14409220e-13 3.56513430e-13]] Final stress: [-1.93815966e-06 -6.34578491e-05 -1.93815966e-06 -8.02641016e-14 -3.19867139e-05 5.95770026e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.95778094e-03 -7.04530019e-03 -6.95778094e-03] [ 8.31093235e-03 3.92635898e-03 -8.31093235e-03] [ 6.95778096e-03 -7.04530022e-03 6.95778096e-03] [-8.31093233e-03 3.92635896e-03 8.31093233e-03] [ 6.95778094e-03 7.04530019e-03 6.95778094e-03] [-8.31093235e-03 -3.92635898e-03 8.31093235e-03] [-6.95778096e-03 7.04530022e-03 -6.95778096e-03] [ 8.31093233e-03 -3.92635896e-03 -8.31093233e-03] [-1.70783526e-14 1.76603523e-14 -6.95901670e-14] [-4.76417517e-13 -2.48345615e-13 -2.49576401e-13] [-1.89110880e-14 -1.89301699e-14 -4.30072644e-14] [-4.22994972e-14 1.87549629e-14 -1.87211358e-14]] Final stress: [-1.93818949e-06 -6.34578968e-05 -1.93818949e-06 1.35732546e-13 3.19865373e-05 -1.94229274e-15] Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 17 steps. Minimization converged after 17 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-8.31093226e-03 -8.31093226e-03 -3.92635893e-03] [ 8.31093223e-03 8.31093223e-03 -3.92635890e-03] [ 6.95778084e-03 -6.95778084e-03 7.04530010e-03] [-6.95778082e-03 6.95778082e-03 7.04530007e-03] [ 8.31093226e-03 8.31093226e-03 3.92635893e-03] [-8.31093223e-03 -8.31093223e-03 3.92635890e-03] [-6.95778084e-03 6.95778084e-03 -7.04530010e-03] [ 6.95778082e-03 -6.95778082e-03 -7.04530007e-03] [ 1.60713456e-14 -5.37347944e-14 -1.61676228e-14] [-3.04758822e-13 5.43509682e-13 -3.02487202e-13] [ 5.28035948e-13 -3.01192231e-13 -2.98868569e-13] [ 5.41233725e-15 -9.50801937e-15 9.49761103e-15]] Final stress: [-1.93818928e-06 -1.93818929e-06 -6.34578957e-05 -1.47731021e-14 -1.54397187e-13 -3.19865372e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 6 steps. Final forces: [[-6.95780036e-03 -6.95780036e-03 -7.04531986e-03] [ 6.95780039e-03 6.95780039e-03 -7.04531989e-03] [ 8.31092066e-03 -8.31092066e-03 3.92634695e-03] [-8.31092070e-03 8.31092070e-03 3.92634698e-03] [ 6.95780036e-03 6.95780036e-03 7.04531986e-03] [-6.95780039e-03 -6.95780039e-03 7.04531989e-03] [-8.31092066e-03 8.31092066e-03 -3.92634695e-03] [ 8.31092070e-03 -8.31092070e-03 -3.92634698e-03] [-5.82776882e-13 -3.05299189e-13 3.04194170e-13] [ 5.20417043e-15 1.15879528e-15 1.19522447e-15] [ 4.44609627e-15 8.81933415e-15 -4.44783099e-15] [-1.50278227e-13 -3.52204377e-13 -1.50300779e-13]] Final stress: [-1.93821900e-06 -1.93821900e-06 -6.34579430e-05 -3.22560399e-14 1.73030288e-13 3.19863609e-05] Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 18 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.99216951e-02 1.99217575e-02 3.13172338e-03] [ 2.05154401e-02 2.05154401e-02 -2.03864121e-02] [ 5.03544919e-03 2.73221242e-03 -2.70063346e-03] [ 2.73315977e-03 5.03388237e-03 -2.70159057e-03] [-1.99216951e-02 -1.99217575e-02 -3.13172338e-03] [-2.05154401e-02 -2.05154401e-02 2.03864121e-02] [-5.03544919e-03 -2.73221242e-03 2.70063346e-03] [-2.73315977e-03 -5.03388237e-03 2.70159057e-03] [-3.95378175e-14 -9.47852907e-15 9.20791221e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.93168267e-15 -1.00752739e-14 2.87270208e-15] [-5.15559817e-15 -5.15733289e-15 2.15105711e-14]] Final stress: [8.47332622e-05 8.47262522e-05 2.35726880e-04 4.83531517e-05 4.83458734e-05 2.65124363e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.73315977e-03 -5.03388237e-03 2.70159057e-03] [ 5.03544920e-03 -2.73221241e-03 2.70063346e-03] [ 2.05154401e-02 -2.05154401e-02 2.03864122e-02] [ 1.99216952e-02 -1.99217576e-02 -3.13172340e-03] [-2.73315977e-03 5.03388237e-03 -2.70159057e-03] [-5.03544920e-03 2.73221241e-03 -2.70063346e-03] [-2.05154401e-02 2.05154401e-02 -2.03864122e-02] [-1.99216952e-02 1.99217576e-02 3.13172340e-03] [-9.34842481e-15 9.42822209e-15 -5.03208586e-14] [-1.10553927e-14 4.19664303e-14 -1.08489606e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.53349555e-14 -4.12864187e-15 4.02976263e-15]] Final stress: [ 8.47332622e-05 8.47262522e-05 2.35726880e-04 4.83531518e-05 -4.83458735e-05 -2.65124363e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.03544919e-03 2.73221242e-03 2.70063346e-03] [-2.73315977e-03 5.03388237e-03 2.70159057e-03] [-1.99216951e-02 1.99217575e-02 -3.13172339e-03] [-2.05154401e-02 2.05154401e-02 2.03864121e-02] [ 5.03544919e-03 -2.73221242e-03 -2.70063346e-03] [ 2.73315977e-03 -5.03388237e-03 -2.70159057e-03] [ 1.99216951e-02 -1.99217575e-02 3.13172339e-03] [ 2.05154401e-02 -2.05154401e-02 -2.03864121e-02] [ 4.32466563e-15 -8.10462808e-15 -4.20843915e-15] [-2.99586744e-15 3.00627578e-15 1.48492330e-14] [ 4.54497551e-14 -1.32047151e-14 -1.29601191e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 8.47332622e-05 8.47262522e-05 2.35726880e-04 -4.83531517e-05 4.83458734e-05 -2.65124363e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.05154401e-02 -2.05154401e-02 -2.03864121e-02] [-1.99216951e-02 -1.99217575e-02 3.13172339e-03] [-2.73315977e-03 -5.03388237e-03 -2.70159057e-03] [-5.03544919e-03 -2.73221242e-03 -2.70063346e-03] [ 2.05154401e-02 2.05154401e-02 2.03864121e-02] [ 1.99216951e-02 1.99217575e-02 -3.13172339e-03] [ 2.73315977e-03 5.03388237e-03 2.70159057e-03] [ 5.03544919e-03 2.73221242e-03 2.70063346e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-6.92501612e-15 -1.61155811e-15 -1.56819002e-15] [-2.48238929e-15 -2.40432674e-15 -1.06303855e-14] [ 2.34187669e-16 9.43689571e-16 2.27248775e-16]] Final stress: [ 8.47332622e-05 8.47262522e-05 2.35726880e-04 -4.83531517e-05 -4.83458734e-05 2.65124363e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 1.99217575e-02 3.13172338e-03 1.99216951e-02] [ 5.03388237e-03 -2.70159057e-03 2.73315977e-03] [ 2.05154401e-02 -2.03864121e-02 2.05154401e-02] [ 2.73221242e-03 -2.70063346e-03 5.03544919e-03] [-1.99217575e-02 -3.13172338e-03 -1.99216951e-02] [-5.03388237e-03 2.70159057e-03 -2.73315977e-03] [-2.05154401e-02 2.03864121e-02 -2.05154401e-02] [-2.73221242e-03 2.70063346e-03 -5.03544919e-03] [ 6.12357387e-16 -5.68989300e-16 2.37310172e-15] [-5.60315683e-15 2.78665979e-14 -5.57019708e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.41473508e-15 -4.26741975e-16 4.25007252e-16]] Final stress: [8.47262522e-05 2.35726880e-04 8.47332622e-05 4.83458734e-05 2.65124363e-05 4.83531517e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.73221241e-03 2.70063346e-03 -5.03544920e-03] [ 2.05154401e-02 2.03864122e-02 -2.05154401e-02] [ 5.03388237e-03 2.70159057e-03 -2.73315977e-03] [ 1.99217575e-02 -3.13172339e-03 -1.99216951e-02] [-2.73221241e-03 -2.70063346e-03 5.03544920e-03] [-2.05154401e-02 -2.03864122e-02 2.05154401e-02] [-5.03388237e-03 -2.70159057e-03 2.73315977e-03] [-1.99217575e-02 3.13172339e-03 1.99216951e-02] [-2.80608869e-14 -6.37337405e-15 6.61797006e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-6.32133235e-15 -2.85882429e-14 6.36643516e-15] [-2.76341450e-15 -2.74780199e-15 6.52256027e-15]] Final stress: [ 8.47262522e-05 2.35726880e-04 8.47332622e-05 4.83458734e-05 -2.65124363e-05 -4.83531517e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-5.03388237e-03 2.70159057e-03 2.73315977e-03] [-1.99217575e-02 -3.13172339e-03 1.99216951e-02] [-2.73221241e-03 2.70063346e-03 5.03544920e-03] [-2.05154401e-02 2.03864122e-02 2.05154401e-02] [ 5.03388237e-03 -2.70159057e-03 -2.73315977e-03] [ 1.99217575e-02 3.13172339e-03 -1.99216951e-02] [ 2.73221241e-03 -2.70063346e-03 -5.03544920e-03] [ 2.05154401e-02 -2.03864122e-02 -2.05154401e-02] [ 2.88311042e-15 -1.73194792e-14 -2.80331314e-15] [-3.98986399e-17 7.11236625e-17 9.29811783e-16] [ 5.51642065e-14 -1.28820565e-14 -1.32047151e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 8.47262522e-05 2.35726880e-04 8.47332622e-05 -4.83458735e-05 -2.65124363e-05 4.83531518e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.05154401e-02 -2.03864122e-02 -2.05154401e-02] [-2.73221242e-03 -2.70063346e-03 -5.03544919e-03] [-1.99217575e-02 3.13172339e-03 -1.99216951e-02] [-5.03388237e-03 -2.70159057e-03 -2.73315977e-03] [ 2.05154401e-02 2.03864122e-02 2.05154401e-02] [ 2.73221242e-03 2.70063346e-03 5.03544919e-03] [ 1.99217575e-02 -3.13172339e-03 1.99216951e-02] [ 5.03388237e-03 2.70159057e-03 2.73315977e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.08166817e-16 7.97972799e-17 7.97972799e-17] [-1.60461922e-15 -1.55951640e-15 -7.92421684e-15] [ 1.17614252e-15 1.85962357e-15 1.03042574e-15]] Final stress: [ 8.47262522e-05 2.35726880e-04 8.47332622e-05 -4.83458734e-05 2.65124363e-05 -4.83531517e-05] Minimization converged after 18 steps. Minimization converged after 18 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.13172338e-03 1.99216951e-02 1.99217575e-02] [-2.70063346e-03 5.03544919e-03 2.73221242e-03] [-2.70159057e-03 2.73315977e-03 5.03388237e-03] [-2.03864121e-02 2.05154401e-02 2.05154401e-02] [-3.13172338e-03 -1.99216951e-02 -1.99217575e-02] [ 2.70063346e-03 -5.03544919e-03 -2.73221242e-03] [ 2.70159057e-03 -2.73315977e-03 -5.03388237e-03] [ 2.03864121e-02 -2.05154401e-02 -2.05154401e-02] [ 1.62196645e-15 -1.19348975e-14 -1.67400815e-15] [-3.79384024e-15 3.87884169e-15 1.61815006e-14] [ 2.86159985e-14 -6.13051276e-15 -6.11836970e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [2.35726880e-04 8.47332622e-05 8.47262522e-05 2.65124363e-05 4.83531517e-05 4.83458734e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.70159057e-03 2.73315977e-03 -5.03388237e-03] [ 2.03864121e-02 2.05154401e-02 -2.05154401e-02] [-3.13172339e-03 1.99216951e-02 -1.99217575e-02] [ 2.70063346e-03 5.03544919e-03 -2.73221242e-03] [-2.70159057e-03 -2.73315977e-03 5.03388237e-03] [-2.03864121e-02 -2.05154401e-02 2.05154401e-02] [ 3.13172339e-03 -1.99216951e-02 1.99217575e-02] [-2.70063346e-03 -5.03544919e-03 2.73221242e-03] [-3.11417558e-14 -4.65946726e-15 4.64905892e-15] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-8.30932545e-16 -1.23512311e-15 8.84708973e-16] [-2.94035629e-15 -2.98719383e-15 7.42461648e-15]] Final stress: [ 2.35726880e-04 8.47332622e-05 8.47262522e-05 -2.65124363e-05 4.83531517e-05 -4.83458734e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 2.70063346e-03 -5.03544919e-03 2.73221242e-03] [-3.13172339e-03 -1.99216951e-02 1.99217575e-02] [ 2.03864122e-02 -2.05154401e-02 2.05154401e-02] [ 2.70159057e-03 -2.73315977e-03 5.03388237e-03] [-2.70063346e-03 5.03544919e-03 -2.73221242e-03] [ 3.13172339e-03 1.99216951e-02 -1.99217575e-02] [-2.03864122e-02 2.05154401e-02 -2.05154401e-02] [-2.70159057e-03 2.73315977e-03 -5.03388237e-03] [-5.79224169e-15 5.99346961e-15 -2.22738494e-14] [-1.28421579e-14 4.48252546e-14 -1.31058359e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 2.66453526e-15 -4.28476699e-16 4.49293380e-16]] Final stress: [ 2.35726880e-04 8.47332622e-05 8.47262522e-05 -2.65124363e-05 -4.83531517e-05 4.83458735e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-2.03864121e-02 -2.05154401e-02 -2.05154401e-02] [-2.70159057e-03 -2.73315977e-03 -5.03388237e-03] [-2.70063346e-03 -5.03544919e-03 -2.73221241e-03] [ 3.13172339e-03 -1.99216951e-02 -1.99217575e-02] [ 2.03864121e-02 2.05154401e-02 2.05154401e-02] [ 2.70159057e-03 2.73315977e-03 5.03388237e-03] [ 2.70063346e-03 5.03544919e-03 2.73221241e-03] [-3.13172339e-03 1.99216951e-02 1.99217575e-02] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.03448369e-14 -4.10262102e-15 -4.00547651e-15] [-8.72565908e-16 -9.45424294e-16 -6.73072709e-15] [ 9.76649317e-16 2.62290190e-15 9.97465999e-16]] Final stress: [ 2.35726880e-04 8.47332622e-05 8.47262522e-05 2.65124363e-05 -4.83531517e-05 -4.83458734e-05] Minimization converged after 18 steps. Minimization converged after 18 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.37551814e-02 3.13491039e-02 3.13491039e-02] [ 5.37551814e-02 -3.13491039e-02 3.13491039e-02] [ 5.37551814e-02 3.13491039e-02 -3.13491039e-02] [-5.37551814e-02 -3.13491039e-02 -3.13491039e-02] [ 5.37551814e-02 -3.13491039e-02 -3.13491039e-02] [-5.37551814e-02 3.13491039e-02 -3.13491039e-02] [-5.37551814e-02 -3.13491039e-02 3.13491039e-02] [ 5.37551814e-02 3.13491039e-02 3.13491039e-02] [-4.55191440e-15 2.52298182e-14 -2.56045185e-14] [-5.99520433e-15 2.16146545e-14 2.17673102e-14] [-1.34892097e-14 -2.54865573e-14 -2.54102295e-14] [-1.21014310e-14 -1.83741911e-14 1.81105131e-14]] Final stress: [-1.26117893e-03 3.65154265e-04 3.65154265e-04 -6.39016554e-15 -3.16401719e-15 3.74935804e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.94029759e-03 2.38412924e-03 -1.88355306e-03] [ 1.94029759e-03 -2.38412924e-03 -1.88355306e-03] [ 1.94029759e-03 2.38412924e-03 1.88355306e-03] [-1.94029759e-03 -2.38412924e-03 1.88355306e-03] [ 1.94029759e-03 -2.38412924e-03 1.88355306e-03] [-1.94029759e-03 2.38412924e-03 1.88355306e-03] [-1.94029759e-03 -2.38412924e-03 -1.88355306e-03] [ 1.94029759e-03 2.38412924e-03 -1.88355306e-03] [ 3.81286799e-16 2.05391802e-14 -7.21232969e-15] [ 2.42861287e-16 2.02615702e-15 -4.99600361e-16] [ 4.68375339e-16 -1.43218770e-14 -5.15212872e-16] [ 3.36536354e-16 4.10782519e-15 -1.80064297e-15]] Final stress: [-2.27031141e-05 -1.18351874e-03 -2.65702967e-05 7.82472657e-15 4.59076659e-16 -2.74165552e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.38412924e-03 -1.94029759e-03 -1.88355306e-03] [-2.38412924e-03 1.94029759e-03 -1.88355306e-03] [-2.38412924e-03 -1.94029759e-03 1.88355306e-03] [ 2.38412924e-03 1.94029759e-03 1.88355306e-03] [-2.38412924e-03 1.94029759e-03 1.88355306e-03] [ 2.38412924e-03 -1.94029759e-03 1.88355306e-03] [ 2.38412924e-03 1.94029759e-03 -1.88355306e-03] [-2.38412924e-03 -1.94029759e-03 -1.88355306e-03] [ 2.04836148e-14 -8.46545056e-16 3.53883589e-16] [ 8.21565038e-15 1.76941795e-16 -4.85722573e-16] [ 3.66373598e-15 -7.28583860e-17 -6.88685220e-16] [ 4.32986980e-15 2.81025203e-16 -1.92207361e-15]] Final stress: [-1.18351874e-03 -2.27031141e-05 -2.65702965e-05 3.05278591e-15 -4.98272136e-17 4.92431923e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.15430300e-03 -1.15430115e-03 2.53899505e-03] [ 1.15430300e-03 1.15430115e-03 2.53899504e-03] [ 1.15430300e-03 -1.15430115e-03 -2.53899504e-03] [-1.15430300e-03 1.15430115e-03 -2.53899504e-03] [ 1.15430300e-03 1.15430115e-03 -2.53899505e-03] [-1.15430300e-03 -1.15430115e-03 -2.53899504e-03] [-1.15430300e-03 1.15430115e-03 2.53899504e-03] [ 1.15430300e-03 -1.15430115e-03 2.53899504e-03] [ 5.21804822e-15 4.67681449e-15 1.24206201e-15] [ 1.65978342e-14 1.09079412e-14 -2.27390653e-15] [-5.80091530e-15 1.77635684e-15 -3.61516372e-15] [ 4.21884749e-15 4.44089210e-16 3.67761377e-16]] Final stress: [-1.06636311e-03 -1.06636312e-03 2.97850537e-05 3.09623261e-15 6.37546900e-15 2.04188786e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.94029759e-03 -1.88355306e-03 2.38412924e-03] [ 1.94029759e-03 1.88355306e-03 2.38412924e-03] [ 1.94029759e-03 -1.88355306e-03 -2.38412924e-03] [-1.94029759e-03 1.88355306e-03 -2.38412924e-03] [ 1.94029759e-03 1.88355306e-03 -2.38412924e-03] [-1.94029759e-03 -1.88355306e-03 -2.38412924e-03] [-1.94029759e-03 1.88355306e-03 2.38412924e-03] [ 1.94029759e-03 -1.88355306e-03 2.38412924e-03] [-4.55191440e-15 2.35679531e-14 -6.38378239e-15] [-2.66800471e-15 2.10352569e-14 -1.05471187e-15] [ 2.56739074e-16 -2.81025203e-16 -1.61259894e-14] [-2.91433544e-16 -1.24206201e-15 2.94209102e-15]] Final stress: [-2.27031141e-05 -2.65702965e-05 -1.18351874e-03 5.22922122e-15 -4.99317928e-15 2.58029646e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.38412924e-03 -1.88355306e-03 -1.94029759e-03] [-2.38412924e-03 1.88355306e-03 -1.94029759e-03] [-2.38412924e-03 -1.88355306e-03 1.94029759e-03] [ 2.38412924e-03 1.88355306e-03 1.94029759e-03] [-2.38412924e-03 1.88355306e-03 1.94029759e-03] [ 2.38412924e-03 -1.88355306e-03 1.94029759e-03] [ 2.38412924e-03 1.88355306e-03 -1.94029759e-03] [-2.38412924e-03 -1.88355306e-03 -1.94029759e-03] [ 1.93733918e-14 -1.36592126e-14 -2.70616862e-16] [ 5.49560397e-15 -1.66533454e-15 4.26741975e-16] [ 2.02615702e-15 -5.25621213e-16 1.76941795e-16] [-1.74305015e-14 -2.44596010e-16 1.97758476e-16]] Final stress: [-1.18351874e-03 -2.65702967e-05 -2.27031141e-05 2.23133215e-15 -4.35953356e-15 4.07934239e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.15430115e-03 2.53899505e-03 -1.15430300e-03] [ 1.15430115e-03 -2.53899504e-03 -1.15430300e-03] [ 1.15430115e-03 2.53899504e-03 1.15430300e-03] [-1.15430115e-03 -2.53899505e-03 1.15430300e-03] [ 1.15430115e-03 -2.53899505e-03 1.15430300e-03] [-1.15430115e-03 2.53899504e-03 1.15430300e-03] [-1.15430115e-03 -2.53899504e-03 -1.15430300e-03] [ 1.15430115e-03 2.53899505e-03 -1.15430300e-03] [-4.44089210e-16 -2.68535194e-15 -3.57353036e-15] [-6.38378239e-15 -4.64905892e-16 4.16333634e-15] [ 9.40914013e-15 -2.20770032e-15 1.53210777e-14] [ 2.80331314e-15 4.99600361e-16 -3.60822483e-16]] Final stress: [-1.06636312e-03 2.97850537e-05 -1.06636311e-03 1.02159793e-14 -1.83844650e-15 -6.57739214e-16] Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-5.74880614e-05 -1.45453691e-04 -1.45931206e-04] [-3.44594070e-04 -1.20562566e-03 7.01946235e-04] [ 5.74881987e-05 -1.45453547e-04 1.45931063e-04] [ 3.44594073e-04 -1.20562564e-03 -7.01946238e-04] [ 5.74880449e-05 1.45453692e-04 1.45931207e-04] [ 3.44594070e-04 1.20562565e-03 -7.01946232e-04] [-5.74881937e-05 1.45453549e-04 -1.45931064e-04] [-3.44594071e-04 1.20562563e-03 7.01946234e-04] [-4.03016509e-12 5.89025356e-12 1.98818739e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.42642564e-11 8.72291128e-12 -1.27847732e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 1.34584881e-03 8.37566454e-04 -1.83637123e-05 -4.72090662e-13 9.89815753e-07 4.66937635e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 3.44593957e-04 1.20562543e-03 7.01946111e-04] [ 5.74881755e-05 1.45453538e-04 -1.45931054e-04] [-3.44594073e-04 1.20562555e-03 -7.01946234e-04] [-5.74880681e-05 1.45453650e-04 1.45931166e-04] [-3.44593957e-04 -1.20562544e-03 -7.01946110e-04] [-5.74881827e-05 -1.45453540e-04 1.45931056e-04] [ 3.44594074e-04 -1.20562554e-03 7.01946237e-04] [ 5.74880691e-05 -1.45453648e-04 -1.45931163e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.67261777e-13 6.04577499e-12 -3.23920751e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.68698430e-12 -2.14461782e-12 -3.91359167e-12]] Final stress: [ 1.34584881e-03 8.37566454e-04 -1.83637129e-05 -6.40953989e-13 -9.89816096e-07 -6.21814173e-13] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.13491039e-02 -5.37551814e-02 3.13491039e-02] [-3.13491039e-02 5.37551814e-02 3.13491039e-02] [-3.13491039e-02 -5.37551814e-02 -3.13491039e-02] [ 3.13491039e-02 5.37551814e-02 -3.13491039e-02] [-3.13491039e-02 5.37551814e-02 -3.13491039e-02] [ 3.13491039e-02 -5.37551814e-02 -3.13491039e-02] [ 3.13491039e-02 5.37551814e-02 3.13491039e-02] [-3.13491039e-02 -5.37551814e-02 3.13491039e-02] [-3.56450980e-14 -9.82547377e-15 3.53189700e-14] [-2.43347009e-14 -1.20459198e-14 -2.42306175e-14] [ 7.04991621e-15 7.71605002e-15 -7.14012183e-15] [ 1.95954364e-14 -4.44089210e-16 1.96301309e-14]] Final stress: [ 3.65154265e-04 -1.26117893e-03 3.65154265e-04 -3.33639610e-15 6.80511287e-15 -4.16231997e-16] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.88355306e-03 -1.94029759e-03 2.38412924e-03] [ 1.88355306e-03 1.94029759e-03 2.38412924e-03] [ 1.88355306e-03 -1.94029759e-03 -2.38412924e-03] [-1.88355306e-03 1.94029759e-03 -2.38412924e-03] [ 1.88355306e-03 1.94029759e-03 -2.38412924e-03] [-1.88355306e-03 -1.94029759e-03 -2.38412924e-03] [-1.88355306e-03 1.94029759e-03 2.38412924e-03] [ 1.88355306e-03 -1.94029759e-03 2.38412924e-03] [ 9.81419807e-15 2.43105232e-15 1.43364595e-14] [-5.23886490e-16 6.62664368e-16 -1.60982339e-14] [ 1.59872116e-14 -1.32532874e-15 7.32747196e-15] [-1.16746890e-15 2.77555756e-16 1.36002321e-15]] Final stress: [-2.65702967e-05 -2.27031141e-05 -1.18351874e-03 1.09944326e-15 1.25017058e-15 -4.12586710e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.88355306e-03 2.38412924e-03 -1.94029759e-03] [ 1.88355306e-03 -2.38412924e-03 -1.94029759e-03] [ 1.88355306e-03 2.38412924e-03 1.94029759e-03] [-1.88355306e-03 -2.38412924e-03 1.94029759e-03] [ 1.88355306e-03 -2.38412924e-03 1.94029759e-03] [-1.88355306e-03 2.38412924e-03 1.94029759e-03] [-1.88355306e-03 -2.38412924e-03 -1.94029759e-03] [ 1.88355306e-03 2.38412924e-03 -1.94029759e-03] [ 1.00006808e-15 1.39618677e-14 -1.91887521e-15] [-4.23272528e-16 1.44328993e-15 1.31838984e-16] [-1.92901251e-15 5.91193761e-15 2.81025203e-16] [ 6.00214323e-16 -8.46545056e-15 1.22471477e-15]] Final stress: [-2.65702965e-05 -1.18351874e-03 -2.27031141e-05 -2.35253974e-15 3.92823847e-17 1.13443819e-16] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.53899503e-03 -1.15430301e-03 -1.15430116e-03] [-2.53899503e-03 1.15430302e-03 -1.15430116e-03] [-2.53899503e-03 -1.15430302e-03 1.15430116e-03] [ 2.53899503e-03 1.15430302e-03 1.15430116e-03] [-2.53899503e-03 1.15430301e-03 1.15430116e-03] [ 2.53899503e-03 -1.15430302e-03 1.15430116e-03] [ 2.53899503e-03 1.15430302e-03 -1.15430116e-03] [-2.53899503e-03 -1.15430302e-03 -1.15430116e-03] [-4.03496681e-15 1.70002901e-14 2.73114864e-14] [-2.23432384e-15 9.15933995e-16 -1.60427227e-14] [ 6.10622664e-16 -1.19348975e-15 1.08524301e-14] [-1.58237867e-15 4.44089210e-15 -6.71684930e-15]] Final stress: [ 2.97850536e-05 -1.06636311e-03 -1.06636312e-03 2.28900721e-15 3.46813788e-15 4.34187296e-15] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-1.45931113e-04 -5.74880308e-05 -1.45453598e-04] [ 1.45931159e-04 5.74882271e-05 -1.45453643e-04] [-7.01946305e-04 3.44594137e-04 -1.20562573e-03] [ 7.01946180e-04 -3.44594020e-04 -1.20562559e-03] [ 1.45931112e-04 5.74880187e-05 1.45453597e-04] [-1.45931157e-04 -5.74882127e-05 1.45453641e-04] [ 7.01946304e-04 -3.44594136e-04 1.20562573e-03] [-7.01946179e-04 3.44594020e-04 1.20562560e-03] [-2.04333946e-12 -1.40090261e-11 -3.06616603e-12] [ 1.82664994e-12 1.10854659e-11 1.35916278e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [-1.83637122e-05 1.34584881e-03 8.37566454e-04 1.87736744e-13 5.24297465e-13 9.89815725e-07] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 7.01946288e-04 3.44594120e-04 1.20562583e-03] [-7.01946340e-04 -3.44594167e-04 1.20562588e-03] [ 1.45931252e-04 -5.74879206e-05 1.45453737e-04] [-1.45931082e-04 5.74883143e-05 1.45453566e-04] [-7.01946290e-04 -3.44594120e-04 -1.20562583e-03] [ 7.01946343e-04 3.44594171e-04 -1.20562589e-03] [-1.45931251e-04 5.74879143e-05 -1.45453736e-04] [ 1.45931083e-04 -5.74883376e-05 -1.45453566e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.78577986e-12 1.95329308e-11 1.33971167e-11] [ 1.22929444e-13 6.01180217e-12 2.19990692e-12]] Final stress: [-1.83637116e-05 1.34584881e-03 8.37566455e-04 -1.33538704e-12 -6.63829972e-13 -9.89815326e-07] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.13491038e-02 3.13491039e-02 -5.37551814e-02] [-3.13491038e-02 -3.13491038e-02 -5.37551814e-02] [-3.13491038e-02 3.13491039e-02 5.37551814e-02] [ 3.13491038e-02 -3.13491039e-02 5.37551814e-02] [-3.13491038e-02 -3.13491039e-02 5.37551814e-02] [ 3.13491038e-02 3.13491038e-02 5.37551814e-02] [ 3.13491038e-02 -3.13491039e-02 -5.37551814e-02] [-3.13491038e-02 3.13491039e-02 -5.37551814e-02] [ 5.89805982e-15 -5.76622083e-15 -6.10622664e-15] [-1.87350135e-15 2.06779038e-15 8.88178420e-15] [ 6.93889390e-16 6.66133815e-16 -9.65894031e-15] [-1.18793864e-14 -1.18585697e-14 -1.80411242e-14]] Final stress: [ 3.65154265e-04 3.65154265e-04 -1.26117893e-03 5.84961284e-15 1.03754351e-15 -2.33996192e-15] Minimization converged after 8 steps. Minimization converged after 8 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[-1.45453623e-04 -1.45931139e-04 -5.74879984e-05] [-1.20562557e-03 -7.01946229e-04 3.44594068e-04] [-1.20562556e-03 7.01946186e-04 -3.44594025e-04] [-1.45453579e-04 1.45931096e-04 5.74882580e-05] [ 1.45453622e-04 1.45931137e-04 5.74879721e-05] [ 1.20562556e-03 7.01946227e-04 -3.44594065e-04] [ 1.20562557e-03 -7.01946184e-04 3.44594026e-04] [ 1.45453578e-04 -1.45931094e-04 -5.74882528e-05] [-7.22613636e-12 -8.64537608e-13 -6.10551540e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.75062783e-12 6.91044444e-13 2.35106379e-11]] Final stress: [ 8.37566454e-04 -1.83637125e-05 1.34584881e-03 9.89815932e-07 7.85914881e-13 -1.39745743e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 17 steps. Final forces: [[ 1.20562574e-03 7.01946279e-04 3.44594113e-04] [ 1.45453562e-04 1.45931078e-04 -5.74881610e-05] [ 1.45453701e-04 -1.45931217e-04 5.74880798e-05] [ 1.20562573e-03 -7.01946266e-04 -3.44594099e-04] [-1.20562574e-03 -7.01946280e-04 -3.44594112e-04] [-1.45453562e-04 -1.45931078e-04 5.74881570e-05] [-1.45453700e-04 1.45931215e-04 -5.74880860e-05] [-1.20562574e-03 7.01946267e-04 3.44594101e-04] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 6.91030566e-12 1.35159939e-12 4.82941465e-12] [-3.82921472e-12 -3.19584637e-13 3.05488967e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 8.37566455e-04 -1.83637120e-05 1.34584881e-03 -9.89815563e-07 2.25277905e-13 4.03458235e-13] Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 21 steps. Minimization converged after 21 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.91596937e-03 4.91606811e-03 7.17900880e-04] [ 4.47819225e-03 4.47819225e-03 -4.46063071e-03] [ 6.92654869e-04 3.64562861e-04 -3.61851593e-04] [ 3.64668389e-04 6.92501325e-04 -3.61957720e-04] [-4.91596937e-03 -4.91606811e-03 -7.17900880e-04] [-4.47819225e-03 -4.47819225e-03 4.46063071e-03] [-6.92654869e-04 -3.64562861e-04 3.61851593e-04] [-3.64668389e-04 -6.92501325e-04 3.61957720e-04] [-4.87804241e-15 -2.39652048e-15 2.35748920e-15] [-1.10904395e-15 9.15110002e-15 -1.07876083e-15] [ 5.74540415e-15 -7.32053307e-15 -2.61075883e-16] [-1.30208344e-14 -1.30190997e-14 4.20219415e-14]] Final stress: [1.73159358e-06 1.72924010e-06 3.34684160e-05 1.22481882e-05 1.22471638e-05 5.24312032e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.64668391e-04 -6.92501324e-04 3.61957721e-04] [ 6.92654869e-04 -3.64562861e-04 3.61851594e-04] [ 4.47819226e-03 -4.47819226e-03 4.46063072e-03] [ 4.91596938e-03 -4.91606812e-03 -7.17900891e-04] [-3.64668391e-04 6.92501324e-04 -3.61957721e-04] [-6.92654869e-04 3.64562861e-04 -3.61851594e-04] [-4.47819226e-03 4.47819226e-03 -4.46063072e-03] [-4.91596938e-03 4.91606812e-03 7.17900891e-04] [ 1.43851944e-14 -1.43739187e-14 5.32768274e-14] [-6.31439345e-16 -5.83560977e-15 4.63171168e-16] [ 1.20488743e-15 9.55745899e-15 -1.17315418e-15] [ 6.34908792e-15 -8.28330460e-16 7.94503352e-16]] Final stress: [ 1.73159359e-06 1.72924010e-06 3.34684160e-05 1.22481883e-05 -1.22471639e-05 -5.24312031e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.92654868e-04 3.64562862e-04 3.61851594e-04] [-3.64668389e-04 6.92501325e-04 3.61957720e-04] [-4.91596939e-03 4.91606812e-03 -7.17900895e-04] [-4.47819226e-03 4.47819226e-03 4.46063073e-03] [ 6.92654868e-04 -3.64562862e-04 -3.61851594e-04] [ 3.64668389e-04 -6.92501325e-04 -3.61957720e-04] [ 4.91596939e-03 -4.91606812e-03 7.17900895e-04] [ 4.47819226e-03 -4.47819226e-03 -4.46063073e-03] [-2.00490666e-15 -2.87773820e-14 -3.41471507e-15] [-1.21864324e-15 1.22818422e-15 7.86870569e-15] [-1.16920362e-14 1.25507243e-15 1.19348975e-15] [-6.80865412e-16 -5.40192890e-15 -6.63213245e-16]] Final stress: [ 1.73159358e-06 1.72924009e-06 3.34684160e-05 -1.22481883e-05 1.22471639e-05 -5.24312031e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.47819224e-03 -4.47819224e-03 -4.46063070e-03] [-4.91596936e-03 -4.91606810e-03 7.17900873e-04] [-3.64668391e-04 -6.92501323e-04 -3.61957721e-04] [-6.92654869e-04 -3.64562861e-04 -3.61851593e-04] [ 4.47819224e-03 4.47819224e-03 4.46063070e-03] [ 4.91596936e-03 4.91606810e-03 -7.17900873e-04] [ 3.64668391e-04 6.92501323e-04 3.61957721e-04] [ 6.92654869e-04 3.64562861e-04 3.61851593e-04] [ 2.16893289e-15 -1.72058548e-14 -2.11230366e-15] [-5.90499871e-15 -1.61676228e-15 -1.59681296e-15] [ 9.97465999e-17 1.07552856e-16 1.38777878e-16] [-1.07292647e-15 1.14491749e-15 7.97972799e-17]] Final stress: [ 1.73159359e-06 1.72924011e-06 3.34684160e-05 -1.22481882e-05 -1.22471638e-05 5.24312031e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 4.91606812e-03 7.17900892e-04 4.91596938e-03] [ 6.92501324e-04 -3.61957721e-04 3.64668390e-04] [ 4.47819226e-03 -4.46063072e-03 4.47819226e-03] [ 3.64562861e-04 -3.61851594e-04 6.92654869e-04] [-4.91606812e-03 -7.17900892e-04 -4.91596938e-03] [-6.92501324e-04 3.61957721e-04 -3.64668390e-04] [-4.47819226e-03 4.46063072e-03 -4.47819226e-03] [-3.64562861e-04 3.61851594e-04 -6.92654869e-04] [-2.19789464e-15 2.14932239e-15 -1.09356968e-14] [-1.47555579e-14 5.42899059e-14 -1.47720378e-14] [-8.12587844e-15 9.97581195e-16 1.02434066e-15] [-5.16947596e-15 1.08593690e-15 1.36262529e-15]] Final stress: [1.72924010e-06 3.34684160e-05 1.73159359e-06 1.22471639e-05 5.24312031e-06 1.22481883e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.64562860e-04 3.61851593e-04 -6.92654870e-04] [ 4.47819226e-03 4.46063072e-03 -4.47819226e-03] [ 6.92501323e-04 3.61957721e-04 -3.64668391e-04] [ 4.91606812e-03 -7.17900890e-04 -4.91596938e-03] [-3.64562860e-04 -3.61851593e-04 6.92654870e-04] [-4.47819226e-03 -4.46063072e-03 4.47819226e-03] [-6.92501323e-04 -3.61957721e-04 3.64668391e-04] [-4.91606812e-03 7.17900890e-04 4.91596938e-03] [-3.47707974e-14 -3.47725321e-15 -6.29704622e-15] [ 5.27702881e-15 6.47532971e-16 6.65117375e-16] [ 2.37396908e-15 9.58955138e-15 -2.37310172e-15] [-9.80118764e-17 -1.00613962e-16 -2.63677968e-16]] Final stress: [ 1.72924010e-06 3.34684160e-05 1.73159358e-06 1.22471639e-05 -5.24312031e-06 -1.22481883e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-6.92501323e-04 3.61957721e-04 3.64668391e-04] [-4.91606810e-03 -7.17900876e-04 4.91596937e-03] [-3.64562862e-04 3.61851595e-04 6.92654868e-04] [-4.47819224e-03 4.46063071e-03 4.47819224e-03] [ 6.92501323e-04 -3.61957721e-04 -3.64668391e-04] [ 4.91606810e-03 7.17900876e-04 -4.91596937e-03] [ 3.64562862e-04 -3.61851595e-04 -6.92654868e-04] [ 4.47819224e-03 -4.46063071e-03 -4.47819224e-03] [-5.17207804e-15 1.80272464e-14 5.19809890e-15] [-3.12076753e-15 3.05051123e-15 1.01932351e-14] [-5.25968158e-15 4.30211422e-16 5.61183044e-16] [-5.38143748e-15 6.60333333e-16 -6.78263327e-16]] Final stress: [ 1.72924011e-06 3.34684160e-05 1.73159359e-06 -1.22471638e-05 -5.24312031e-06 1.22481882e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.47819224e-03 -4.46063070e-03 -4.47819224e-03] [-3.64562860e-04 -3.61851592e-04 -6.92654870e-04] [-4.91606810e-03 7.17900874e-04 -4.91596936e-03] [-6.92501323e-04 -3.61957721e-04 -3.64668391e-04] [ 4.47819224e-03 4.46063070e-03 4.47819224e-03] [ 3.64562860e-04 3.61851592e-04 6.92654870e-04] [ 4.91606810e-03 -7.17900874e-04 4.91596936e-03] [ 6.92501323e-04 3.61957721e-04 3.64668391e-04] [-1.17098171e-14 -1.48198240e-15 1.52037671e-15] [ 4.87804241e-15 1.62370117e-15 6.80965700e-15] [-2.28289609e-15 -2.25514052e-15 -1.12687637e-14] [-1.95156391e-16 -5.13478149e-16 -2.02095285e-16]] Final stress: [ 1.72924010e-06 3.34684160e-05 1.73159358e-06 -1.22471638e-05 5.24312032e-06 -1.22481882e-05] Minimization converged after 16 steps. Minimization converged after 16 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 7.17900891e-04 4.91596938e-03 4.91606812e-03] [-3.61851594e-04 6.92654868e-04 3.64562862e-04] [-3.61957721e-04 3.64668391e-04 6.92501324e-04] [-4.46063072e-03 4.47819226e-03 4.47819226e-03] [-7.17900891e-04 -4.91596938e-03 -4.91606812e-03] [ 3.61851594e-04 -6.92654868e-04 -3.64562862e-04] [ 3.61957721e-04 -3.64668391e-04 -6.92501324e-04] [ 4.46063072e-03 -4.47819226e-03 -4.47819226e-03] [ 2.95163199e-15 -1.75415238e-14 -3.02969455e-15] [-8.93382590e-16 1.13303464e-14 -8.88178420e-16] [ 5.33045830e-14 -1.41787623e-14 -1.41787623e-14] [-4.24214429e-16 -4.35198752e-16 3.45459338e-15]] Final stress: [3.34684160e-05 1.73159359e-06 1.72924011e-06 5.24312031e-06 1.22481883e-05 1.22471639e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.61957721e-04 3.64668391e-04 -6.92501323e-04] [ 4.46063071e-03 4.47819225e-03 -4.47819225e-03] [-7.17900884e-04 4.91596937e-03 -4.91606811e-03] [ 3.61851594e-04 6.92654868e-04 -3.64562862e-04] [-3.61957721e-04 -3.64668391e-04 6.92501323e-04] [-4.46063071e-03 -4.47819225e-03 4.47819225e-03] [ 7.17900884e-04 -4.91596937e-03 4.91606811e-03] [-3.61851594e-04 -6.92654868e-04 3.64562862e-04] [ 2.13440376e-14 4.35849273e-15 -4.34374758e-15] [-8.06510891e-17 8.29143611e-17 6.57026517e-16] [ 6.24500451e-16 5.21804822e-15 -6.54858112e-16] [-8.16187395e-16 -5.36376499e-15 -5.20417043e-16]] Final stress: [ 3.34684160e-05 1.73159358e-06 1.72924010e-06 -5.24312030e-06 1.22481883e-05 -1.22471638e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[ 3.61851593e-04 -6.92654869e-04 3.64562861e-04] [-7.17900883e-04 -4.91596937e-03 4.91606811e-03] [ 4.46063071e-03 -4.47819225e-03 4.47819225e-03] [ 3.61957720e-04 -3.64668390e-04 6.92501324e-04] [-3.61851593e-04 6.92654869e-04 -3.64562861e-04] [ 7.17900883e-04 4.91596937e-03 -4.91606811e-03] [-4.46063071e-03 4.47819225e-03 -4.47819225e-03] [-3.61957720e-04 3.64668390e-04 -6.92501324e-04] [-3.65506236e-15 9.10296144e-15 -1.61051728e-14] [ 5.88938620e-16 -5.91193761e-15 6.25367813e-16] [-1.92012205e-16 -1.98341235e-16 -1.92673568e-15] [ 1.93456362e-14 -5.12090370e-15 5.11743425e-15]] Final stress: [ 3.34684160e-05 1.73159358e-06 1.72924010e-06 -5.24312031e-06 -1.22481882e-05 1.22471638e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 3 steps. Final forces: [[-4.46063071e-03 -4.47819225e-03 -4.47819225e-03] [-3.61957721e-04 -3.64668391e-04 -6.92501324e-04] [-3.61851593e-04 -6.92654869e-04 -3.64562861e-04] [ 7.17900881e-04 -4.91596937e-03 -4.91606811e-03] [ 4.46063071e-03 4.47819225e-03 4.47819225e-03] [ 3.61957721e-04 3.64668391e-04 6.92501324e-04] [ 3.61851593e-04 6.92654869e-04 3.64562861e-04] [-7.17900881e-04 4.91596937e-03 4.91606811e-03] [-2.18691032e-15 2.24573506e-15 -1.78161522e-14] [ 1.69309011e-15 5.27355937e-16 5.49039980e-16] [-4.42354486e-16 -6.55118321e-15 2.58820743e-15] [-2.16320017e-15 -1.12063137e-14 -2.19269047e-15]] Final stress: [ 3.34684160e-05 1.73159358e-06 1.72924010e-06 5.24312031e-06 -1.22481882e-05 -1.22471638e-05] Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.56414594e-03 2.58092956e-03 2.58092956e-03] [ 5.56414594e-03 -2.58092956e-03 2.58092956e-03] [ 5.56414594e-03 2.58092956e-03 -2.58092956e-03] [-5.56414594e-03 -2.58092956e-03 -2.58092956e-03] [ 5.56414594e-03 -2.58092956e-03 -2.58092956e-03] [-5.56414594e-03 2.58092956e-03 -2.58092956e-03] [-5.56414594e-03 -2.58092956e-03 2.58092956e-03] [ 5.56414594e-03 2.58092956e-03 2.58092956e-03] [-2.45636844e-14 6.58847976e-15 -6.51909082e-15] [ 1.16018306e-14 3.60822483e-15 3.63944985e-15] [ 1.37945211e-14 1.09287579e-15 1.12063137e-15] [ 1.39055434e-14 8.36136715e-16 -8.08381140e-16]] Final stress: [-1.51160002e-03 3.01930783e-05 3.01930783e-05 4.71179193e-15 5.57638898e-15 -7.70859592e-16] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.23630765e-04 3.23630909e-04 -9.88088620e-04] [-3.23630766e-04 -3.23630909e-04 -9.88088619e-04] [-3.23630764e-04 3.23630907e-04 9.88088622e-04] [ 3.23630764e-04 -3.23630907e-04 9.88088621e-04] [-3.23630765e-04 -3.23630908e-04 9.88088620e-04] [ 3.23630766e-04 3.23630909e-04 9.88088619e-04] [ 3.23630764e-04 -3.23630907e-04 -9.88088622e-04] [-3.23630764e-04 3.23630907e-04 -9.88088621e-04] [-5.37070388e-15 -2.19511909e-14 7.56686380e-15] [-1.07691633e-14 4.44089210e-15 1.79023463e-15] [ 5.56499291e-15 -2.25514052e-14 -4.20150026e-15] [-4.77395901e-15 -1.52239332e-14 1.14630527e-14]] Final stress: [-5.71390568e-04 -5.71390567e-04 -4.16882983e-05 -3.87523468e-16 -4.02987145e-15 1.03057022e-14] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 3.23630883e-04 -9.88088646e-04 3.23630739e-04] [-3.23630880e-04 9.88088648e-04 3.23630737e-04] [-3.23630882e-04 -9.88088647e-04 -3.23630739e-04] [ 3.23630880e-04 9.88088649e-04 -3.23630737e-04] [-3.23630883e-04 9.88088646e-04 -3.23630740e-04] [ 3.23630880e-04 -9.88088648e-04 -3.23630737e-04] [ 3.23630882e-04 9.88088647e-04 3.23630739e-04] [-3.23630880e-04 -9.88088649e-04 3.23630737e-04] [ 9.58955138e-15 8.63545346e-15 -7.92942101e-15] [-1.86933802e-14 1.12410081e-14 -1.95954364e-14] [-5.53723734e-15 6.32480179e-15 -2.49800181e-14] [-7.92421684e-15 -2.64198385e-15 8.53483950e-15]] Final stress: [-5.71390568e-04 -4.16882986e-05 -5.71390569e-04 5.31563892e-17 1.34141574e-14 3.75064030e-15] Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.58092953e-03 -5.56414596e-03 2.58092953e-03] [-2.58092953e-03 5.56414596e-03 2.58092953e-03] [-2.58092953e-03 -5.56414596e-03 -2.58092953e-03] [ 2.58092953e-03 5.56414596e-03 -2.58092953e-03] [-2.58092953e-03 5.56414596e-03 -2.58092953e-03] [ 2.58092953e-03 -5.56414596e-03 -2.58092953e-03] [ 2.58092953e-03 5.56414596e-03 2.58092953e-03] [-2.58092953e-03 -5.56414596e-03 2.58092953e-03] [-3.93782229e-15 -3.27515792e-15 3.99333344e-15] [-1.48839274e-15 -4.99600361e-15 -1.46063717e-15] [-1.70002901e-16 3.05311332e-16 2.15105711e-16] [ 4.71497841e-15 -9.43689571e-15 4.77048956e-15]] Final stress: [ 3.01930780e-05 -1.51160002e-03 3.01930780e-05 -2.50075236e-15 6.18639567e-15 -5.59804757e-16] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.88088633e-04 3.23630752e-04 3.23630895e-04] [ 9.88088635e-04 -3.23630750e-04 3.23630893e-04] [ 9.88088635e-04 3.23630750e-04 -3.23630893e-04] [-9.88088634e-04 -3.23630752e-04 -3.23630895e-04] [ 9.88088633e-04 -3.23630752e-04 -3.23630895e-04] [-9.88088635e-04 3.23630750e-04 -3.23630893e-04] [-9.88088635e-04 -3.23630750e-04 3.23630893e-04] [ 9.88088634e-04 3.23630752e-04 3.23630895e-04] [-8.04217803e-15 6.13441589e-15 3.39420332e-15] [-1.08767162e-15 4.69069228e-15 -8.81239526e-15] [ 1.53904667e-14 -1.24622535e-14 -2.49800181e-15] [ 2.27248775e-16 -1.67366121e-14 1.02556852e-14]] Final stress: [-4.16882984e-05 -5.71390568e-04 -5.71390568e-04 1.04053777e-14 -5.34329421e-17 9.43424020e-16] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.58092953e-03 2.58092953e-03 -5.56414596e-03] [-2.58092953e-03 -2.58092953e-03 -5.56414596e-03] [-2.58092953e-03 2.58092953e-03 5.56414596e-03] [ 2.58092953e-03 -2.58092953e-03 5.56414596e-03] [-2.58092953e-03 -2.58092953e-03 5.56414596e-03] [ 2.58092953e-03 2.58092953e-03 5.56414596e-03] [ 2.58092953e-03 -2.58092953e-03 -5.56414596e-03] [-2.58092953e-03 2.58092953e-03 -5.56414596e-03] [-1.70002901e-16 2.53269627e-16 3.58046925e-15] [ 7.18175519e-16 -8.25728375e-16 4.57966998e-15] [ 4.10782519e-15 4.17374468e-15 -1.38777878e-14] [-5.07580089e-15 -5.04110642e-15 2.47024623e-15]] Final stress: [ 3.01930780e-05 3.01930780e-05 -1.51160002e-03 4.40205076e-15 -6.33828238e-15 5.53248957e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 20 steps. Minimization converged after 20 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.95605450e-03 3.57821707e-03 3.58761158e-03] [ 1.50863214e-04 -8.01746390e-05 8.01764091e-05] [ 1.50863215e-04 8.01746371e-05 -8.01764072e-05] [ 7.95605445e-03 -3.57821703e-03 -3.58761154e-03] [-7.95605450e-03 -3.57821707e-03 -3.58761158e-03] [-1.50863214e-04 8.01746390e-05 -8.01764091e-05] [-1.50863215e-04 -8.01746371e-05 8.01764072e-05] [-7.95605445e-03 3.57821703e-03 3.58761154e-03] [-1.84314369e-15 -4.64038530e-16 4.44089210e-16] [ 5.77489445e-15 1.73472348e-15 -5.91237129e-15] [-1.32706346e-15 7.77156117e-16 1.54785039e-14] [-1.01134379e-15 -5.68620671e-15 1.19210197e-14]] Final stress: [ 4.46076537e-05 1.01107229e-04 1.00900287e-04 -6.76443745e-06 1.31495145e-13 1.42478693e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-1.50863268e-04 8.01745817e-05 8.01763518e-05] [-7.95605445e-03 -3.57821704e-03 3.58761155e-03] [-7.95605446e-03 3.57821705e-03 -3.58761156e-03] [-1.50863187e-04 -8.01746656e-05 -8.01764357e-05] [ 1.50863268e-04 -8.01745818e-05 -8.01763519e-05] [ 7.95605445e-03 3.57821704e-03 -3.58761155e-03] [ 7.95605446e-03 -3.57821705e-03 3.58761156e-03] [ 1.50863187e-04 8.01746656e-05 8.01764357e-05] [ 2.31288079e-13 -4.67851669e-13 -2.18580362e-13] [-8.83026291e-14 1.22190452e-13 1.72473147e-13] [-2.09790518e-13 -2.02070999e-13 -4.45171677e-13] [ 2.22565022e-15 1.79717352e-14 5.65103520e-14]] Final stress: [ 4.46076535e-05 1.01107229e-04 1.00900287e-04 6.76443734e-06 -2.17455156e-13 -2.59212313e-13] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 1.28261565e-03 1.28262480e-03 2.60879806e-03] [ 1.06627253e-03 1.06627253e-03 -1.06366295e-03] [ 1.22947158e-02 -1.24700704e-02 2.67030503e-02] [-1.25098007e-02 1.23285614e-02 2.66194082e-02] [-1.28261565e-03 -1.28262479e-03 -2.60879805e-03] [-1.06627253e-03 -1.06627253e-03 1.06366295e-03] [-1.22947158e-02 1.24700704e-02 -2.67030503e-02] [ 1.25098007e-02 -1.23285614e-02 -2.66194082e-02] [-4.63922303e-13 4.44078802e-13 -2.05975514e-12] [-4.30558367e-15 1.78676518e-15 4.43561854e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.14550600e-14 -4.40654457e-14 -5.20267163e-12]] Final stress: [-7.07440887e-05 -7.07101451e-05 6.69594511e-04 1.42893435e-05 1.38181177e-05 7.18394735e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.25081818e-02 -1.23269749e-02 -2.66174680e-02] [ 1.22931271e-02 1.24684499e-02 -2.67011075e-02] [ 1.06598151e-03 -1.06598151e-03 1.06337265e-03] [ 1.28231123e-03 -1.28232038e-03 -2.60769896e-03] [ 1.25081818e-02 1.23269749e-02 2.66174680e-02] [-1.22931271e-02 -1.24684499e-02 2.67011075e-02] [-1.06598151e-03 1.06598151e-03 -1.06337265e-03] [-1.28231123e-03 1.28232038e-03 2.60769897e-03] [ 2.24256030e-12 -2.23903535e-12 -1.34265654e-11] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.34036748e-13 -2.29436262e-13 -6.32396913e-13] [-1.93896982e-13 -1.79883886e-13 4.00179889e-13]] Final stress: [-7.07349065e-05 -7.07009666e-05 6.69595171e-04 1.42852216e-05 -1.38140102e-05 -7.18302472e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.22953958e-02 -1.24707649e-02 -2.67039081e-02] [ 1.25104951e-02 1.23292410e-02 -2.66202656e-02] [-1.28280622e-03 1.28281537e-03 -2.60970408e-03] [-1.06649798e-03 1.06649798e-03 1.06388785e-03] [ 1.22953958e-02 1.24707649e-02 2.67039081e-02] [-1.25104951e-02 -1.23292410e-02 2.66202656e-02] [ 1.28280622e-03 -1.28281537e-03 2.60970408e-03] [ 1.06649798e-03 -1.06649798e-03 -1.06388785e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-2.07726197e-13 2.18949858e-13 -9.05941988e-13] [-1.01045908e-13 -8.82419138e-14 2.03420614e-13] [-3.15534057e-13 -2.81037346e-13 -1.89098737e-13]] Final stress: [-7.07481420e-05 -7.07141968e-05 6.69594744e-04 -1.42926452e-05 1.38214176e-05 -7.18433058e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.06609357e-03 -1.06609357e-03 -1.06348443e-03] [-1.28242219e-03 -1.28243134e-03 2.60812202e-03] [ 1.25087496e-02 -1.23275312e-02 2.66181496e-02] [-1.22936837e-02 1.24690177e-02 2.67017895e-02] [ 1.06609357e-03 1.06609357e-03 1.06348443e-03] [ 1.28242219e-03 1.28243134e-03 -2.60812201e-03] [-1.25087496e-02 1.23275312e-02 -2.66181496e-02] [ 1.22936837e-02 -1.24690177e-02 -2.67017895e-02] [-7.91016558e-13 8.32129504e-13 -3.01272896e-12] [ 3.57207319e-13 -3.43529025e-13 -1.39710465e-12] [ 2.76250897e-12 2.77881884e-12 -1.26011146e-11] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [-7.07381422e-05 -7.07042009e-05 6.69594944e-04 -1.42868021e-05 -1.38155887e-05 7.18334644e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 1.28306436e-03 2.61033607e-03 1.28305521e-03] [ 1.23309173e-02 2.66222842e-02 -1.25122046e-02] [ 1.06668204e-03 -1.06407146e-03 1.06668204e-03] [-1.24724753e-02 2.67059289e-02 1.22970737e-02] [-1.28306436e-03 -2.61033606e-03 -1.28305521e-03] [-1.23309173e-02 -2.66222842e-02 1.25122046e-02] [-1.06668204e-03 1.06407146e-03 -1.06668204e-03] [ 1.24724753e-02 -2.67059289e-02 -1.22970737e-02] [ 2.43659259e-14 -6.81399381e-13 -2.16528184e-14] [-1.17589619e-12 -1.24094346e-11 -1.17337737e-12] [-1.96851216e-13 3.03063130e-13 2.10569409e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [-7.07237411e-05 6.69593441e-04 -7.07576903e-05 1.38238860e-05 7.18532004e-05 1.42951255e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.24701302e-02 -2.67031383e-02 -1.22947738e-02] [ 1.06634591e-03 1.06373615e-03 -1.06634591e-03] [ 1.23286196e-02 -2.66194964e-02 1.25098607e-02] [ 1.28267429e-03 -2.60911208e-03 -1.28266514e-03] [ 1.24701302e-02 2.67031383e-02 1.22947738e-02] [-1.06634591e-03 -1.06373615e-03 1.06634591e-03] [-1.23286196e-02 2.66194964e-02 -1.25098607e-02] [-1.28267430e-03 2.60911211e-03 1.28266515e-03] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-1.11598231e-13 -2.68812750e-14 -1.20480015e-13] [ 3.60645541e-12 -2.32545649e-11 -3.61354696e-12] [ 1.72294817e-12 7.13917814e-12 1.80250780e-12]] Final stress: [-7.07105543e-05 6.69594830e-04 -7.07444981e-05 1.38192349e-05 -7.18397403e-05 -1.42904591e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.23267086e-02 -2.66171715e-02 -1.25079111e-02] [-1.28233864e-03 -2.60803101e-03 1.28232949e-03] [ 1.24681793e-02 -2.67008108e-02 1.22928608e-02] [-1.06605512e-03 1.06344608e-03 1.06605512e-03] [ 1.23267086e-02 2.66171715e-02 1.25079111e-02] [ 1.28233864e-03 2.60803103e-03 -1.28232949e-03] [-1.24681793e-02 2.67008108e-02 -1.22928608e-02] [ 1.06605512e-03 -1.06344608e-03 -1.06605512e-03] [-1.36910622e-12 -2.08280893e-11 1.36110914e-12] [-1.45898918e-13 5.30922528e-13 -1.51528096e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-4.70226288e-13 -1.38707101e-12 -4.46176082e-13]] Final stress: [-7.06995854e-05 6.69595813e-04 -7.07335247e-05 -1.38151536e-05 -7.18285449e-05 1.42863641e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.06593203e-03 -1.06332329e-03 -1.06593203e-03] [ 1.24685826e-02 2.67012490e-02 -1.22932578e-02] [-1.28230267e-03 2.60747587e-03 -1.28229353e-03] [-1.23271061e-02 2.66176100e-02 1.25083150e-02] [ 1.06593203e-03 1.06332329e-03 1.06593203e-03] [-1.24685826e-02 -2.67012490e-02 1.22932578e-02] [ 1.28230268e-03 -2.60747589e-03 1.28229353e-03] [ 1.23271062e-02 -2.66176100e-02 -1.25083150e-02] [ 3.32844863e-13 -1.00199016e-12 -2.93187349e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-9.01089967e-13 -3.20120319e-12 9.48867721e-13] [-6.96498414e-13 1.83672522e-11 -7.41844086e-13]] Final stress: [-7.07016322e-05 6.69594765e-04 -7.07355724e-05 -1.38132397e-05 7.18310977e-05 -1.42844485e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.58761158e-03 7.95605449e-03 3.57821707e-03] [-8.01763851e-05 1.50863237e-04 8.01746150e-05] [-3.58761153e-03 7.95605444e-03 -3.57821702e-03] [ 8.01764255e-05 1.50863197e-04 -8.01746553e-05] [-3.58761158e-03 -7.95605449e-03 -3.57821707e-03] [ 8.01763851e-05 -1.50863237e-04 -8.01746150e-05] [ 3.58761153e-03 -7.95605444e-03 3.57821702e-03] [-8.01764255e-05 -1.50863197e-04 8.01746554e-05] [-2.81025203e-14 -1.15012166e-14 3.23352456e-15] [ 6.04464395e-15 -5.68989300e-15 -3.92741395e-15] [-2.44110288e-14 1.39601872e-14 -4.69416173e-15] [ 2.61184303e-15 -7.26849136e-16 2.01227923e-14]] Final stress: [ 1.00900287e-04 4.46076537e-05 1.01107229e-04 2.45856361e-13 -6.76443743e-06 1.32215329e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 8.01763903e-05 -1.50863230e-04 8.01746202e-05] [-3.58761154e-03 -7.95605442e-03 3.57821703e-03] [-8.01763667e-05 -1.50863253e-04 -8.01745965e-05] [ 3.58761154e-03 -7.95605442e-03 -3.57821703e-03] [-8.01763903e-05 1.50863230e-04 -8.01746202e-05] [ 3.58761154e-03 7.95605442e-03 -3.57821703e-03] [ 8.01763666e-05 1.50863253e-04 8.01745965e-05] [-3.58761154e-03 7.95605442e-03 3.57821703e-03] [-3.06525638e-15 1.68007969e-14 -5.91419275e-14] [-1.55570001e-13 -1.02409400e-13 -1.00898456e-13] [ 1.11625986e-13 1.05871041e-13 1.85504390e-13] [ 2.77833312e-14 -1.10623316e-14 9.18917720e-14]] Final stress: [1.00900286e-04 4.46076533e-05 1.01107228e-04 6.81644885e-14 6.76443722e-06 6.66580279e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[ 2.60967011e-03 1.28282681e-03 1.28283596e-03] [ 2.67042172e-02 1.22956591e-02 -1.24710331e-02] [ 2.66205748e-02 -1.25107637e-02 1.23295047e-02] [-1.06388604e-03 1.06649617e-03 1.06649617e-03] [-2.60967010e-03 -1.28282681e-03 -1.28283596e-03] [-2.67042172e-02 -1.22956591e-02 1.24710331e-02] [-2.66205748e-02 1.25107637e-02 -1.23295047e-02] [ 1.06388604e-03 -1.06649617e-03 -1.06649617e-03] [-2.87614377e-12 -7.37215844e-13 7.04535388e-13] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-5.86397597e-12 7.23379689e-13 7.54639407e-13] [ 2.79352930e-12 -7.47348364e-13 7.80564849e-13]] Final stress: [ 6.69594375e-04 -7.07496058e-05 -7.07156598e-05 7.18448960e-05 1.42925626e-05 1.38213363e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-2.66199796e-02 -1.25102929e-02 -1.23290444e-02] [ 1.06367278e-03 1.06628238e-03 -1.06628238e-03] [-2.60879914e-03 1.28266320e-03 -1.28267235e-03] [-2.67036213e-02 1.22951982e-02 1.24705618e-02] [ 2.66199796e-02 1.25102929e-02 1.23290444e-02] [-1.06367278e-03 -1.06628238e-03 1.06628238e-03] [ 2.60879916e-03 -1.28266320e-03 1.28267235e-03] [ 2.67036213e-02 -1.22951982e-02 -1.24705618e-02] [-1.59144087e-11 2.79134355e-12 -2.80988774e-12] [ 3.65968367e-12 7.03293326e-13 7.56414029e-13] [-8.26561042e-14 -8.76260869e-14 -8.70432199e-14] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00]] Final stress: [ 6.69593953e-04 -7.07467804e-05 -7.07128355e-05 -7.18423768e-05 1.42894119e-05 -1.38181886e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-2.67010821e-02 -1.22931021e-02 -1.24684246e-02] [-2.60778224e-03 -1.28231955e-03 1.28232870e-03] [ 1.06339240e-03 -1.06600131e-03 1.06600131e-03] [-2.66174429e-02 1.25081567e-02 1.23269501e-02] [ 2.67010821e-02 1.22931021e-02 1.24684246e-02] [ 2.60778223e-03 1.28231955e-03 -1.28232870e-03] [-1.06339240e-03 1.06600131e-03 -1.06600131e-03] [ 2.66174429e-02 -1.25081567e-02 -1.23269501e-02] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 7.69176389e-13 4.63847710e-14 5.30287619e-14] [-2.99094083e-13 -2.38626827e-13 -2.18424237e-13] [ 9.83871318e-12 1.83082022e-12 -1.84910767e-12]] Final stress: [ 6.69595268e-04 -7.07347960e-05 -7.07008562e-05 -7.18300697e-05 -1.42855146e-05 1.38143047e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 10 steps. Final forces: [[-1.06349619e-03 -1.06610536e-03 -1.06610536e-03] [ 2.66191446e-02 1.25096069e-02 -1.23283727e-02] [ 2.67027857e-02 -1.22945260e-02 1.24698756e-02] [ 2.60810343e-03 -1.28250281e-03 -1.28251196e-03] [ 1.06349619e-03 1.06610536e-03 1.06610536e-03] [-2.66191446e-02 -1.25096069e-02 1.23283727e-02] [-2.67027857e-02 1.22945260e-02 -1.24698756e-02] [-2.60810338e-03 1.28250280e-03 1.28251195e-03] [ 3.53651830e-12 8.06908360e-13 -8.49046528e-13] [-4.97581698e-11 6.47774889e-12 6.47718337e-12] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-8.62462879e-13 2.08369780e-13 -2.01279965e-13]] Final stress: [ 6.69593973e-04 -7.07428272e-05 -7.07088840e-05 7.18385366e-05 -1.42868527e-05 -1.38156324e-05] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 3.57821703e-03 3.58761154e-03 7.95605444e-03] [-3.57821704e-03 -3.58761155e-03 7.95605445e-03] [-8.01746195e-05 8.01763896e-05 1.50863231e-04] [ 8.01746227e-05 -8.01763928e-05 1.50863228e-04] [-3.57821703e-03 -3.58761154e-03 -7.95605444e-03] [ 3.57821704e-03 3.58761155e-03 -7.95605445e-03] [ 8.01746195e-05 -8.01763896e-05 -1.50863231e-04] [-8.01746227e-05 8.01763928e-05 -1.50863228e-04] [ 4.62824223e-15 -4.69201501e-14 -5.74995780e-15] [ 5.47853863e-14 -6.57807142e-14 3.35001124e-14] [ 2.03517758e-13 -1.37289702e-13 -9.53074425e-14] [ 6.16173779e-15 4.07660017e-16 1.93942085e-15]] Final stress: [ 1.01107229e-04 1.00900287e-04 4.46076535e-05 -1.32370316e-14 -3.03668186e-14 -6.76443732e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 8.01746344e-05 8.01764045e-05 -1.50863219e-04] [-8.01746542e-05 -8.01764243e-05 -1.50863199e-04] [-3.57821706e-03 3.58761157e-03 -7.95605449e-03] [ 3.57821706e-03 -3.58761157e-03 -7.95605449e-03] [-8.01746344e-05 -8.01764045e-05 1.50863219e-04] [ 8.01746542e-05 8.01764244e-05 1.50863199e-04] [ 3.57821706e-03 -3.58761157e-03 7.95605449e-03] [-3.57821706e-03 3.58761157e-03 7.95605449e-03] [-4.68514116e-13 -2.45884042e-13 2.25463745e-13] [ 1.12687637e-14 5.49386925e-14 5.38197958e-15] [ 3.95274091e-14 -5.86614091e-14 9.58261248e-15] [-2.28286140e-13 -4.46739867e-13 -2.17260238e-13]] Final stress: [ 1.01107230e-04 1.00900287e-04 4.46076539e-05 -4.48628383e-14 -6.70019546e-14 6.76443750e-06] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.90587885e-03 -5.52575331e-04 -5.52575335e-04] [-1.90587885e-03 5.52575332e-04 -5.52575336e-04] [-1.90587885e-03 -5.52575334e-04 5.52575337e-04] [ 1.90587885e-03 5.52575334e-04 5.52575338e-04] [-1.90587885e-03 5.52575331e-04 5.52575334e-04] [ 1.90587885e-03 -5.52575332e-04 5.52575336e-04] [ 1.90587885e-03 5.52575334e-04 -5.52575337e-04] [-1.90587885e-03 -5.52575334e-04 -5.52575338e-04] [-7.78543896e-15 1.00371100e-14 -6.60929644e-16] [ 5.37070388e-15 3.72271658e-15 3.57006091e-15] [ 1.52655666e-14 1.11455983e-15 -1.14665222e-15] [-3.10862447e-15 -2.37830589e-15 1.70002901e-15]] Final stress: [-7.92487139e-04 -2.19550955e-05 -2.19550953e-05 5.25761404e-15 5.65419141e-15 1.17794637e-14] Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 6.53975894e-04 6.53975904e-04 -8.10794231e-04] [-6.53975895e-04 -6.53975905e-04 -8.10794230e-04] [-6.53975895e-04 6.53975905e-04 8.10794230e-04] [ 6.53975897e-04 -6.53975906e-04 8.10794228e-04] [-6.53975894e-04 -6.53975904e-04 8.10794231e-04] [ 6.53975895e-04 6.53975905e-04 8.10794230e-04] [ 6.53975895e-04 -6.53975905e-04 -8.10794230e-04] [-6.53975897e-04 6.53975906e-04 -8.10794228e-04] [ 1.76247905e-15 3.20229954e-15 8.75601674e-15] [-7.60502772e-15 1.01169073e-14 -8.39606162e-16] [ 1.09218190e-14 8.01442246e-15 -2.35445344e-15] [ 3.23352456e-15 1.60288449e-15 -3.65332764e-15]] Final stress: [-2.91472300e-04 -2.91472300e-04 -3.85403753e-05 7.36316465e-16 -7.56142382e-15 -6.40996318e-15] Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 6.53975943e-04 -8.10794191e-04 6.53975933e-04] [-6.53975943e-04 8.10794191e-04 6.53975933e-04] [-6.53975942e-04 -8.10794192e-04 -6.53975933e-04] [ 6.53975942e-04 8.10794193e-04 -6.53975932e-04] [-6.53975943e-04 8.10794191e-04 -6.53975933e-04] [ 6.53975943e-04 -8.10794192e-04 -6.53975933e-04] [ 6.53975942e-04 8.10794192e-04 6.53975933e-04] [-6.53975942e-04 -8.10794193e-04 6.53975932e-04] [ 1.71945791e-14 1.05254347e-14 -5.45136852e-15] [ 1.68615122e-15 2.23085439e-15 9.08995101e-16] [-3.17385007e-14 2.48932819e-15 2.39391840e-15] [ 3.76781939e-15 -2.49236395e-15 1.65006897e-14]] Final stress: [-2.91472300e-04 -3.85403749e-05 -2.91472300e-04 -1.50113831e-15 2.44890604e-15 4.73927449e-15] Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.52575335e-04 1.90587885e-03 -5.52575331e-04] [ 5.52575337e-04 -1.90587885e-03 -5.52575334e-04] [ 5.52575338e-04 1.90587885e-03 5.52575334e-04] [-5.52575336e-04 -1.90587885e-03 5.52575332e-04] [ 5.52575334e-04 -1.90587885e-03 5.52575331e-04] [-5.52575337e-04 1.90587885e-03 5.52575334e-04] [-5.52575338e-04 -1.90587885e-03 -5.52575334e-04] [ 5.52575336e-04 1.90587885e-03 -5.52575332e-04] [-5.65519853e-16 -9.52818553e-15 9.92023304e-15] [-1.67227343e-15 1.90958360e-14 5.88938620e-16] [ 1.78329573e-15 -1.20736754e-15 -2.50494070e-15] [ 3.42087469e-15 5.82867088e-16 -2.82412982e-15]] Final stress: [-2.19550953e-05 -7.92487139e-04 -2.19550955e-05 1.17662135e-14 5.27260773e-15 5.72759077e-15] Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-8.10794266e-04 6.53975859e-04 6.53975868e-04] [ 8.10794267e-04 -6.53975859e-04 6.53975868e-04] [ 8.10794266e-04 6.53975859e-04 -6.53975869e-04] [-8.10794267e-04 -6.53975858e-04 -6.53975867e-04] [ 8.10794266e-04 -6.53975859e-04 -6.53975868e-04] [-8.10794267e-04 6.53975858e-04 -6.53975868e-04] [-8.10794266e-04 -6.53975859e-04 6.53975869e-04] [ 8.10794267e-04 6.53975858e-04 6.53975867e-04] [ 1.02504810e-14 1.17219602e-14 1.00141249e-14] [-3.09387932e-15 1.18377530e-14 7.91033905e-15] [ 7.84788901e-15 -1.08732467e-14 1.78329573e-15] [ 5.16080234e-15 -3.65679709e-15 9.73526815e-15]] Final stress: [-3.85403758e-05 -2.91472301e-04 -2.91472301e-04 -3.55686763e-15 4.92099268e-15 1.41213526e-15] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.52575180e-04 -5.52575184e-04 1.90587900e-03] [ 5.52575178e-04 5.52575182e-04 1.90587901e-03] [ 5.52575179e-04 -5.52575183e-04 -1.90587900e-03] [-5.52575179e-04 5.52575183e-04 -1.90587900e-03] [ 5.52575180e-04 5.52575184e-04 -1.90587900e-03] [-5.52575178e-04 -5.52575182e-04 -1.90587901e-03] [-5.52575179e-04 5.52575183e-04 1.90587900e-03] [ 5.52575179e-04 -5.52575183e-04 1.90587900e-03] [ 2.05339218e-14 -5.75017464e-15 -2.01904465e-14] [-1.25940924e-15 -4.63518113e-15 -1.29202204e-14] [ 2.47024623e-15 7.24073579e-15 -1.20320420e-14] [-1.19175503e-15 -1.39645240e-15 -2.74780199e-15]] Final stress: [-2.19550938e-05 -2.19550935e-05 -7.92487137e-04 -6.65037122e-15 -6.10812837e-15 -1.33589156e-15] Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 5 steps. Minimization converged after 5 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.71817609e-03 -6.47383934e-04 -6.47383935e-04] [-1.71817608e-03 6.47383936e-04 -6.47383937e-04] [-1.71817608e-03 -6.47383936e-04 6.47383937e-04] [ 1.71817608e-03 6.47383936e-04 6.47383937e-04] [-1.71817609e-03 6.47383934e-04 6.47383935e-04] [ 1.71817608e-03 -6.47383936e-04 6.47383937e-04] [ 1.71817608e-03 6.47383936e-04 -6.47383937e-04] [-1.71817608e-03 -6.47383936e-04 -6.47383937e-04] [-4.53109772e-15 1.62092562e-14 1.67236017e-14] [-2.09554596e-14 1.68181441e-14 -1.85441940e-15] [-2.00880979e-14 -1.21387275e-15 -1.03216047e-15] [-8.69443406e-15 2.93385108e-15 1.21118393e-14]] Final stress: [-3.77897733e-04 -2.28199430e-05 -2.28199430e-05 5.74557803e-15 5.40660408e-15 7.00250123e-15] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 6 steps. Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.57926805e-04 2.60747593e-04 -3.84363889e-04] [-1.35247022e-04 2.18566644e-05 3.66665509e-05] [-2.57998665e-04 2.60820066e-04 3.84291157e-04] [ 1.35185144e-04 2.19187061e-05 -3.66044451e-05] [-2.57926803e-04 -2.60747592e-04 3.84363886e-04] [ 1.35247033e-04 -2.18566660e-05 -3.66665458e-05] [ 2.57998667e-04 -2.60820068e-04 -3.84291159e-04] [-1.35185125e-04 -2.19187020e-05 3.66044517e-05] [-6.63085255e-13 1.26765254e-12 -4.55621738e-12] [-2.04345740e-11 1.02123171e-13 2.95007074e-13] [-7.50846650e-13 -2.85575123e-12 -3.67848287e-12] [-1.20842334e-11 -3.90220842e-13 1.51843815e-12]] Final stress: [-1.20132858e-05 -5.84788726e-06 -1.82047255e-05 -3.93812980e-10 -4.23190676e-06 -2.83633585e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.35734298e-04 -2.24300745e-05 3.64565674e-05] [-2.58930597e-04 -2.61760925e-04 -3.85120908e-04] [-1.35770484e-04 -2.23937635e-05 -3.64929174e-05] [ 2.58925666e-04 -2.61755952e-04 3.85125900e-04] [-1.35734271e-04 2.24300726e-05 -3.64565752e-05] [ 2.58930598e-04 2.61760926e-04 3.85120908e-04] [ 1.35770524e-04 2.23937710e-05 3.64929090e-05] [-2.58925664e-04 2.61755951e-04 -3.85125900e-04] [-4.02928515e-11 -3.24891882e-12 4.77931572e-12] [-3.60550565e-13 -4.81365815e-13 4.07705987e-12] [-2.75229076e-11 2.51159987e-12 2.97920716e-12] [-8.18744215e-13 -3.69234894e-12 4.03769292e-12]] Final stress: [-1.20404594e-05 -5.82753292e-06 -1.81761606e-05 -1.20928058e-10 4.23988886e-06 -9.16334727e-11] Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.56560795e-04 -3.82560743e-04 2.59365898e-04] [-2.56648771e-04 3.82471704e-04 2.59454624e-04] [-1.35972466e-04 3.49861794e-05 2.48262246e-05] [ 1.36111483e-04 -3.51256333e-05 2.46869062e-05] [-2.56560793e-04 3.82560740e-04 -2.59365896e-04] [ 2.56648772e-04 -3.82471704e-04 -2.59454624e-04] [ 1.35972500e-04 -3.49861731e-05 -2.48262299e-05] [-1.36111466e-04 3.51256376e-05 -2.46869038e-05] [-3.44228808e-11 -4.09586536e-12 3.81944660e-12] [-1.88040388e-11 1.15683851e-12 -2.64874570e-12] [-3.52274850e-13 -2.39570776e-12 3.36638053e-13] [-2.62460518e-13 -2.38800819e-12 -2.56748399e-13]] Final stress: [-1.21421680e-05 -1.82835368e-05 -5.81122631e-06 1.48603272e-10 -6.63334475e-10 -4.22762114e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 1.36991980e-04 3.46587479e-05 -2.58548814e-05] [-1.37156587e-04 -3.48239334e-05 -2.56898623e-05] [-2.58552702e-04 -3.84060199e-04 -2.61376708e-04] [ 2.58486201e-04 3.84127505e-04 -2.61309640e-04] [-1.36991953e-04 -3.46587540e-05 2.58548780e-05] [ 1.37156597e-04 3.48239285e-05 2.56898618e-05] [ 2.58552705e-04 3.84060202e-04 2.61376710e-04] [-2.58486200e-04 -3.84127505e-04 2.61309639e-04] [-4.66250844e-13 3.48019964e-12 4.48548100e-13] [-3.20354528e-13 2.89423520e-12 -3.13715850e-13] [-2.75016468e-11 3.36092265e-12 5.30542982e-12] [-1.31055245e-11 -1.97528105e-12 -3.36256543e-12]] Final stress: [-1.21943462e-05 -1.82266231e-05 -5.77166285e-06 -6.79715955e-10 -2.87961835e-10 4.24323640e-06] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.47383935e-04 1.71817609e-03 -6.47383934e-04] [ 6.47383937e-04 -1.71817608e-03 -6.47383936e-04] [ 6.47383937e-04 1.71817608e-03 6.47383936e-04] [-6.47383937e-04 -1.71817608e-03 6.47383936e-04] [ 6.47383935e-04 -1.71817609e-03 6.47383934e-04] [-6.47383937e-04 1.71817608e-03 6.47383936e-04] [-6.47383937e-04 -1.71817608e-03 -6.47383936e-04] [ 6.47383937e-04 1.71817608e-03 -6.47383936e-04] [ 1.59030775e-14 -3.77410776e-15 9.75478379e-15] [-1.04040040e-15 -2.00603423e-14 -1.21083699e-15] [ 1.21049004e-14 -8.69443406e-15 2.93601948e-15] [-1.81972493e-15 -2.09762763e-14 1.68406955e-14]] Final stress: [-2.28199430e-05 -3.77897733e-04 -2.28199430e-05 7.01190508e-15 5.74299487e-15 5.41333770e-15] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.59194389e-04 2.56390929e-04 -3.82377725e-04] [ 2.47132082e-05 -1.35874550e-04 3.50262998e-05] [ 2.45882690e-05 1.35999220e-04 -3.51513623e-05] [ 2.59234652e-04 -2.56430851e-04 3.82337319e-04] [-2.59194387e-04 -2.56390927e-04 3.82377724e-04] [-2.47132091e-05 1.35874560e-04 -3.50262972e-05] [-2.45882599e-05 -1.35999185e-04 3.51513687e-05] [-2.59234652e-04 2.56430852e-04 -3.82337320e-04] [-3.85090224e-12 -1.10663696e-11 7.03392748e-13] [ 3.64593230e-13 -3.77671310e-13 -2.86957177e-12] [-1.52579121e-13 -1.57099702e-13 -1.35344774e-12] [-6.01849289e-12 -3.57480152e-11 -2.52722843e-12]] Final stress: [-5.81529437e-06 -1.21367852e-05 -1.82892406e-05 -4.22603958e-06 2.48270022e-10 -4.81241869e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-2.44710095e-05 1.35548740e-04 3.50731116e-05] [-2.58705477e-04 -2.55906682e-04 -3.81892258e-04] [-2.58648453e-04 2.55850140e-04 3.81949490e-04] [-2.42634208e-05 -1.35755814e-04 -3.52809084e-05] [ 2.44710043e-05 -1.35548704e-04 -3.50731201e-05] [ 2.58705482e-04 2.55906687e-04 3.81892265e-04] [ 2.58648451e-04 -2.55850138e-04 -3.81949488e-04] [ 2.42634205e-05 1.35755815e-04 3.52809040e-05] [ 6.38356013e-13 -6.70167914e-13 4.44672597e-12] [ 5.78516900e-12 -3.71587136e-11 2.81938362e-12] [-3.36087234e-12 -4.88706645e-12 -6.83128554e-12] [-5.03870058e-13 -5.18073215e-13 4.40760189e-12]] Final stress: [-5.82629119e-06 -1.21223273e-05 -1.83049864e-05 4.22172061e-06 -7.75058282e-10 -4.41292850e-10] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-3.87929224e-04 2.62413029e-04 2.65276528e-04] [ 3.88035836e-04 -2.62307687e-04 2.65170289e-04] [-3.59283483e-05 1.37643979e-04 2.41995427e-05] [ 3.59434562e-05 -1.37659011e-04 2.41844513e-05] [ 3.87929223e-04 -2.62413029e-04 -2.65276528e-04] [-3.88035838e-04 2.62307689e-04 -2.65170290e-04] [ 3.59283554e-05 -1.37643954e-04 -2.41995390e-05] [-3.59434529e-05 1.37659026e-04 -2.41844549e-05] [-3.95265851e-12 -7.01792791e-13 2.39077811e-12] [-1.60828208e-12 -3.18690170e-13 -1.30225431e-12] [-1.03164005e-12 -1.52480213e-11 1.41762990e-12] [-1.60868541e-12 -2.65368741e-11 -1.57154845e-12]] Final stress: [-1.80728556e-05 -1.21345077e-05 -5.75678358e-06 3.51185263e-10 2.66625493e-10 -4.26830443e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 3.66925609e-05 1.34519470e-04 -2.14388952e-05] [-3.69247356e-05 -1.34750819e-04 -2.12069532e-05] [ 3.83462456e-04 2.56887591e-04 -2.59698433e-04] [-3.83439820e-04 -2.56909955e-04 -2.59720988e-04] [-3.66925719e-05 -1.34519431e-04 2.14388922e-05] [ 3.69247283e-05 1.34750855e-04 2.12069597e-05] [-3.83462455e-04 -2.56887590e-04 2.59698432e-04] [ 3.83439821e-04 2.56909957e-04 2.59720990e-04] [ 3.99983519e-12 -3.63412122e-11 -3.26370094e-12] [ 3.66230657e-12 -4.01336308e-11 2.86311469e-12] [ 5.94986733e-12 -9.86239356e-13 -3.22402695e-12] [ 3.37457753e-12 -2.64418262e-13 -6.37450162e-13]] Final stress: [-1.82362793e-05 -1.19840288e-05 -5.86997874e-06 -6.12056135e-10 -7.45545401e-10 4.22318090e-06] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.47383873e-04 -6.47383874e-04 1.71817615e-03] [ 6.47383875e-04 6.47383876e-04 1.71817614e-03] [ 6.47383875e-04 -6.47383876e-04 -1.71817614e-03] [-6.47383874e-04 6.47383875e-04 -1.71817614e-03] [ 6.47383873e-04 6.47383874e-04 -1.71817615e-03] [-6.47383875e-04 -6.47383876e-04 -1.71817614e-03] [-6.47383875e-04 6.47383876e-04 1.71817614e-03] [ 6.47383874e-04 -6.47383875e-04 1.71817614e-03] [-5.43488865e-15 -8.05334532e-15 -1.92427454e-14] [-3.15199256e-15 6.60235755e-15 -8.43075609e-15] [ 7.90686960e-15 7.40726924e-16 -9.45077350e-15] [-5.01768765e-16 -4.74446871e-16 -1.79509185e-14]] Final stress: [-2.28199424e-05 -2.28199423e-05 -3.77897732e-04 6.49719668e-15 1.67733913e-15 5.39969631e-15] Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 2.63686888e-04 -3.86552087e-04 2.60838441e-04] [ 2.33150336e-05 -3.62289298e-05 1.36794493e-04] [ 2.33950192e-05 3.61488698e-05 -1.36714702e-04] [ 2.63511748e-04 3.86727840e-04 -2.60664781e-04] [-2.63686886e-04 3.86552084e-04 -2.60838439e-04] [-2.33150316e-05 3.62289286e-05 -1.36794506e-04] [-2.33950134e-05 -3.61488635e-05 1.36714710e-04] [-2.63511749e-04 -3.86727842e-04 2.60664782e-04] [-6.07789600e-12 -1.60120972e-12 5.17298227e-13] [-8.70302094e-13 1.62071051e-12 -9.02215016e-12] [ 2.84331499e-12 3.86546350e-12 1.31938930e-11] [-4.36261791e-12 -4.34910354e-12 -9.86058674e-13]] Final stress: [-5.79005604e-06 -1.81213655e-05 -1.20901275e-05 -4.25493426e-06 2.72761122e-10 7.46764245e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-2.25744335e-05 3.63511416e-05 1.35705789e-04] [-2.61840740e-04 3.85242893e-04 2.59009626e-04] [-2.61897532e-04 -3.85185905e-04 -2.59065938e-04] [-2.23616098e-05 -3.65641703e-05 -1.35918091e-04] [ 2.25744321e-05 -3.63511427e-05 -1.35705780e-04] [ 2.61840741e-04 -3.85242895e-04 -2.59009627e-04] [ 2.61897531e-04 3.85185904e-04 2.59065937e-04] [ 2.23616181e-05 3.65641711e-05 1.35918106e-04] [-2.68194050e-12 4.18359591e-12 -1.37336509e-11] [-6.32801797e-12 -5.38657660e-13 -6.71929201e-13] [ 1.85020402e-13 -1.87887466e-12 1.92177220e-13] [ 1.72599175e-12 1.22363925e-12 -7.52293366e-12]] Final stress: [-5.82529938e-06 -1.81728659e-05 -1.20434070e-05 4.24078785e-06 -4.57258310e-10 -7.89692612e-10] Minimization converged after 3 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[-3.82329225e-04 2.59225268e-04 2.56421557e-04] [-3.49583038e-05 2.47831427e-05 1.35806879e-04] [ 3.82368850e-04 2.59185781e-04 -2.56382403e-04] [ 3.52166925e-05 2.45250084e-05 -1.36064414e-04] [ 3.82329224e-04 -2.59225267e-04 -2.56421556e-04] [ 3.49583023e-05 -2.47831414e-05 -1.35806891e-04] [-3.82368851e-04 -2.59185781e-04 2.56382403e-04] [-3.52166939e-05 -2.45250031e-05 1.36064400e-04] [ 3.02170095e-12 -4.45709268e-12 1.35286071e-11] [ 1.31300353e-13 1.33637676e-14 1.26604456e-14] [ 2.58466165e-12 -3.12771244e-12 1.14499313e-11] [-2.50854892e-13 6.41018271e-14 -6.99033930e-14]] Final stress: [-1.82896098e-05 -5.81529379e-06 -1.21368813e-05 8.67920639e-10 -4.22598776e-06 -6.40780996e-10] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 16 steps. Final forces: [[ 3.50614557e-05 -2.46166763e-05 1.35795086e-04] [ 3.82254808e-04 -2.59030996e-04 2.56229073e-04] [-3.51722994e-05 -2.45059405e-05 -1.35905556e-04] [-3.82204736e-04 -2.59080891e-04 -2.56278547e-04] [-3.50614543e-05 2.46166804e-05 -1.35795099e-04] [-3.82254807e-04 2.59030996e-04 -2.56229073e-04] [ 3.51722973e-05 2.45059476e-05 1.35905570e-04] [ 3.82204738e-04 2.59080893e-04 2.56278549e-04] [ 1.24660785e-12 2.02645084e-13 -2.14387102e-13] [ 9.72347203e-14 -5.99173836e-12 -1.43282582e-11] [-9.08023656e-14 1.12420923e-15 -8.09899023e-16] [-3.24746480e-12 -6.87389544e-12 1.18305886e-11]] Final stress: [-1.82938087e-05 -5.81867041e-06 -1.21322754e-05 -1.79098036e-10 4.22475187e-06 -4.70425544e-10] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 13 steps. Minimization converged after 13 steps. Minimization converged after 5 steps. Minimization converged after 5 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 6 steps. Minimization converged after 6 steps. Minimization converged after 5 steps. Minimization converged after 5 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 5 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.05609938e-03 -3.96920615e-04 -3.96920615e-04] [-1.05609938e-03 3.96920615e-04 -3.96920615e-04] [-1.05609938e-03 -3.96920614e-04 3.96920614e-04] [ 1.05609938e-03 3.96920615e-04 3.96920615e-04] [-1.05609938e-03 3.96920615e-04 3.96920615e-04] [ 1.05609938e-03 -3.96920615e-04 3.96920615e-04] [ 1.05609938e-03 3.96920614e-04 -3.96920614e-04] [-1.05609938e-03 -3.96920615e-04 -3.96920615e-04] [-4.51028104e-16 1.20433177e-15 -1.24926111e-14] [ 1.45022883e-14 -7.33961503e-15 -4.68115130e-15] [-1.00128239e-14 5.80915524e-15 -7.81492926e-16] [ 1.19348975e-15 -9.97465999e-17 -8.50014503e-16]] Final stress: [-1.79566930e-04 -1.24994573e-05 -1.24994573e-05 -3.36028090e-15 4.69100237e-15 -2.70851553e-15] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.96920566e-04 1.05609943e-03 -3.96920566e-04] [ 3.96920566e-04 -1.05609943e-03 -3.96920566e-04] [ 3.96920566e-04 1.05609943e-03 3.96920566e-04] [-3.96920566e-04 -1.05609943e-03 3.96920566e-04] [ 3.96920566e-04 -1.05609943e-03 3.96920566e-04] [-3.96920566e-04 1.05609943e-03 3.96920566e-04] [-3.96920566e-04 -1.05609943e-03 -3.96920566e-04] [ 3.96920566e-04 1.05609943e-03 -3.96920566e-04] [-1.00054513e-14 1.37541888e-14 -3.30779241e-15] [-2.31021799e-15 8.28503932e-15 -2.51209643e-15] [-1.66967135e-15 1.98452366e-15 -9.52796869e-16] [-4.99600361e-16 1.24900090e-15 -1.41813644e-15]] Final stress: [-1.24994568e-05 -1.79566930e-04 -1.24994568e-05 -1.84171863e-15 -1.76533081e-15 1.20449849e-15] Minimization converged after 2 steps. Minimization converged after 10 steps. Minimization converged after 10 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 8 steps. Minimization converged after 8 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-3.96920567e-04 -3.96920567e-04 1.05609943e-03] [ 3.96920566e-04 3.96920566e-04 1.05609943e-03] [ 3.96920566e-04 -3.96920566e-04 -1.05609943e-03] [-3.96920565e-04 3.96920565e-04 -1.05609943e-03] [ 3.96920567e-04 3.96920567e-04 -1.05609943e-03] [-3.96920566e-04 -3.96920566e-04 -1.05609943e-03] [-3.96920566e-04 3.96920566e-04 1.05609943e-03] [ 3.96920565e-04 -3.96920565e-04 1.05609943e-03] [ 3.18712071e-15 -1.57379535e-14 1.21191035e-14] [-7.49400542e-16 -1.24726618e-15 1.43982049e-15] [-2.75474088e-15 -6.97185365e-15 -4.20150026e-15] [ 7.56989957e-16 8.73866951e-16 -2.11011764e-14]] Final stress: [-1.24994568e-05 -1.24994568e-05 -1.79566930e-04 3.76675690e-15 -4.72703189e-15 -4.80305717e-15] Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 3 steps. Minimization converged after 3 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. 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 5 steps. Minimization converged after 5 steps. Minimization converged after 1 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 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 1 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 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 9 steps. Minimization converged after 9 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 7 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 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 5 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 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]: [[ 0. -0. 0. -0. 0. -0.] [-0. -0. 0. -0. 0. -0.] [ 0. 0. -0. -0. -0. -0.] [-0. -0. -0. 0. -0. 0.] [ 0. 0. -0. -0. 0. -0.] [-0. -0. -0. 0. -0. 0.]] 95%% Error estimate [ASE units]: [[0.00002 0.00012 0.00012 0. 0. 0. ] [0.00012 0.00001 0.00012 0. 0. 0. ] [0.00012 0.00012 0.00001 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000062 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000000 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Summary of completed elastic constants calculation: Method: stress-condensed Step generator: MaxStepGenerator(_base_step=0.0001,_step_nom=None,_num_steps=14,_step_ratio=1.6,offset=0,num_extrap=0,check_num_steps=True,use_exact_steps=True,_scale=500,_state=State(x=array(1), method='forward', n=1, order=2)) Raw elastic constants [ASE units]: [[ 0. 0. 0. 0. 0. 0. ] [ 0. 0. 0. -0. -0. 0. ] [ 0. 0. 0. 0. -0. 0. ] [ 0. -0. 0. 0.00001 0. 0. ] [ 0. -0. -0. 0. 0.00001 -0. ] [ 0. 0. 0. 0. -0. 0.00001]] 95%% Error estimate [ASE units]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 is too big compared to maximum elastic constant component 0.000005 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000005 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 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 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 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]: [[ 0. 0. 0. -0. -0. -0.] [ 0. 0. 0. -0. -0. -0.] [ 0. 0. 0. 0. -0. 0.] [-0. -0. 0. 0. 0. 0.] [-0. -0. -0. 0. 0. -0.] [-0. -0. 0. 0. -0. 0.]] 95%% Error estimate [ASE units]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 is too big compared to maximum elastic constant component 0.000002 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000002 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.74686059e-02 4.18315231e-02 4.18315232e-02] [ 6.74686059e-02 -4.18315231e-02 4.18315232e-02] [ 6.74686059e-02 4.18315231e-02 -4.18315232e-02] [-6.74686059e-02 -4.18315231e-02 -4.18315232e-02] [ 6.74686059e-02 -4.18315231e-02 -4.18315232e-02] [-6.74686059e-02 4.18315231e-02 -4.18315232e-02] [-6.74686059e-02 -4.18315231e-02 4.18315232e-02] [ 6.74686059e-02 4.18315231e-02 4.18315232e-02] [ 1.98729921e-14 -2.66453526e-15 1.40165657e-15] [ 2.25375274e-14 1.43079992e-14 1.47243329e-14] [-7.66053887e-15 2.84494650e-15 2.88657986e-15] [ 5.99520433e-15 -1.31006317e-14 1.22957200e-14]] Final stress: [ 1.68487082e-03 4.84036682e-04 4.84036683e-04 1.63630213e-16 -3.44864134e-15 -2.10495404e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.18315232e-02 -6.74686059e-02 4.18315231e-02] [-4.18315232e-02 6.74686059e-02 4.18315231e-02] [-4.18315232e-02 -6.74686059e-02 -4.18315231e-02] [ 4.18315232e-02 6.74686059e-02 -4.18315231e-02] [-4.18315232e-02 6.74686059e-02 -4.18315231e-02] [ 4.18315232e-02 -6.74686059e-02 -4.18315231e-02] [ 4.18315232e-02 6.74686059e-02 4.18315231e-02] [-4.18315232e-02 -6.74686059e-02 4.18315231e-02] [-7.63278329e-16 1.83186799e-14 -6.24500451e-16] [ 3.76088050e-15 -1.02140518e-14 3.60822483e-15] [ 1.34614542e-14 1.09912079e-14 -1.42386103e-14] [ 4.28823643e-15 2.02060590e-14 4.10782519e-15]] Final stress: [ 4.84036683e-04 1.68487082e-03 4.84036682e-04 4.43838174e-16 -2.74812144e-15 -1.13838874e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.18315231e-02 4.18315231e-02 -6.74686059e-02] [-4.18315231e-02 -4.18315231e-02 -6.74686059e-02] [-4.18315231e-02 4.18315231e-02 6.74686059e-02] [ 4.18315231e-02 -4.18315231e-02 6.74686059e-02] [-4.18315231e-02 -4.18315231e-02 6.74686059e-02] [ 4.18315231e-02 4.18315231e-02 6.74686059e-02] [ 4.18315231e-02 -4.18315231e-02 -6.74686059e-02] [-4.18315231e-02 4.18315231e-02 -6.74686059e-02] [ 1.38777878e-15 -2.52575738e-15 1.53210777e-14] [-1.99007477e-14 1.92901251e-14 2.10942375e-15] [-1.81799020e-15 -1.42941214e-15 3.00870440e-14] [-4.20496971e-15 -4.14945855e-15 1.23234756e-14]] Final stress: [ 4.84036682e-04 4.84036683e-04 1.68487082e-03 -2.29737755e-15 -3.16117653e-15 2.61059247e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.24137994e-02 5.68162387e-02 5.68266971e-02] [ 6.51832286e-02 6.33040027e-02 -6.33040027e-02] [ 6.51832286e-02 -6.33040027e-02 6.33040027e-02] [ 7.24137994e-02 -5.68162387e-02 -5.68266971e-02] [-7.24137994e-02 -5.68162387e-02 -5.68266971e-02] [-6.51832286e-02 -6.33040027e-02 6.33040027e-02] [-6.51832286e-02 6.33040027e-02 -6.33040027e-02] [-7.24137994e-02 5.68162387e-02 5.68266971e-02] [-3.57908148e-14 8.25121221e-15 -7.85092477e-14] [-2.37310172e-15 1.25732758e-14 -2.26901831e-15] [-1.15879528e-15 -3.55271368e-15 1.37737044e-15] [ 4.26741975e-16 1.46063717e-15 6.93889390e-16]] Final stress: [ 3.10772198e-05 6.56751116e-04 6.55888069e-04 5.99158978e-04 -5.10538711e-14 -4.95139059e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.51832286e-02 -6.33040027e-02 -6.33040027e-02] [-7.24137994e-02 -5.68162387e-02 5.68266971e-02] [-7.24137994e-02 5.68162387e-02 -5.68266971e-02] [-6.51832286e-02 6.33040027e-02 6.33040027e-02] [ 6.51832286e-02 6.33040027e-02 6.33040027e-02] [ 7.24137994e-02 5.68162387e-02 -5.68266971e-02] [ 7.24137994e-02 -5.68162387e-02 5.68266971e-02] [ 6.51832286e-02 -6.33040027e-02 -6.33040027e-02] [ 1.57096558e-14 -7.66053887e-14 -1.55951640e-14] [ 1.48353552e-14 -1.70419234e-14 -9.32309785e-14] [-1.10952914e-14 -1.46983120e-14 -7.24420524e-14] [-2.22807883e-14 -1.01502140e-13 -2.22565022e-14]] Final stress: [ 3.10772198e-05 6.56751116e-04 6.55888069e-04 -5.99158978e-04 -1.09269910e-15 -4.78671507e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.68266971e-02 7.24137995e-02 5.68162388e-02] [ 6.33040028e-02 6.51832287e-02 -6.33040028e-02] [-5.68266972e-02 7.24137995e-02 -5.68162388e-02] [-6.33040028e-02 6.51832287e-02 6.33040027e-02] [-5.68266971e-02 -7.24137995e-02 -5.68162388e-02] [-6.33040028e-02 -6.51832287e-02 6.33040028e-02] [ 5.68266972e-02 -7.24137995e-02 5.68162388e-02] [ 6.33040028e-02 -6.51832287e-02 -6.33040027e-02] [ 1.91513472e-14 -2.63400413e-14 -1.30867539e-14] [-2.90392710e-15 2.86229374e-15 1.10189635e-14] [ 1.66533454e-14 3.69149156e-15 -6.80011603e-16] [-1.79717352e-15 -1.91166527e-15 8.52096171e-15]] Final stress: [ 6.55888069e-04 3.10772198e-05 6.56751117e-04 6.24303880e-15 5.99158979e-04 -3.90993674e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.33040027e-02 -6.51832286e-02 -6.33040027e-02] [-5.68266971e-02 -7.24137994e-02 5.68162387e-02] [ 6.33040027e-02 -6.51832286e-02 6.33040027e-02] [ 5.68266971e-02 -7.24137994e-02 -5.68162387e-02] [ 6.33040027e-02 6.51832286e-02 6.33040027e-02] [ 5.68266971e-02 7.24137994e-02 -5.68162387e-02] [-6.33040027e-02 6.51832286e-02 -6.33040027e-02] [-5.68266971e-02 7.24137994e-02 5.68162387e-02] [-1.69239622e-14 1.69725345e-14 -7.58004770e-14] [-8.22952817e-14 -1.91027749e-14 -1.56073071e-14] [ 4.74967288e-15 4.57273108e-15 1.90125693e-14] [-6.87228052e-14 5.70724024e-15 -1.61017033e-14]] Final stress: [ 6.55888069e-04 3.10772198e-05 6.56751116e-04 2.10387745e-14 -5.99158978e-04 -7.48444998e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.68162389e-02 5.68266972e-02 7.24137996e-02] [-5.68162389e-02 -5.68266972e-02 7.24137996e-02] [ 6.33040028e-02 -6.33040028e-02 6.51832287e-02] [-6.33040028e-02 6.33040028e-02 6.51832287e-02] [-5.68162389e-02 -5.68266972e-02 -7.24137996e-02] [ 5.68162389e-02 5.68266972e-02 -7.24137996e-02] [-6.33040028e-02 6.33040028e-02 -6.51832287e-02] [ 6.33040028e-02 -6.33040028e-02 -6.51832287e-02] [ 1.18013238e-14 -9.46898809e-14 -2.19546603e-14] [ 1.29063427e-15 -3.27515792e-15 1.89084859e-15] [ 8.24618152e-14 -1.82180659e-14 -1.81868409e-14] [ 1.23789867e-14 -1.71043735e-15 1.75207071e-15]] Final stress: [ 6.56751118e-04 6.55888070e-04 3.10772198e-05 1.58820900e-14 -3.20627051e-14 5.99158980e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.33040027e-02 -6.33040028e-02 -6.51832287e-02] [ 6.33040027e-02 6.33040027e-02 -6.51832286e-02] [-5.68162388e-02 5.68266971e-02 -7.24137995e-02] [ 5.68162388e-02 -5.68266971e-02 -7.24137995e-02] [ 6.33040027e-02 6.33040028e-02 6.51832287e-02] [-6.33040027e-02 -6.33040027e-02 6.51832286e-02] [ 5.68162388e-02 -5.68266971e-02 7.24137995e-02] [-5.68162388e-02 5.68266971e-02 7.24137995e-02] [-8.03246358e-14 -1.60323144e-14 1.61433367e-14] [-1.03833608e-13 -2.21697660e-14 -2.22530327e-14] [-1.67678371e-14 -8.99558206e-14 1.48249468e-14] [-1.05731396e-14 -5.80646642e-14 -2.13232210e-14]] Final stress: [ 6.56751116e-04 6.55888069e-04 3.10772198e-05 -2.44058151e-15 -7.78135263e-14 -5.99158979e-04] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.15910146e-02 1.18562903e-02 1.18562903e-02] [ 2.15910146e-02 -1.18562903e-02 1.18562903e-02] [ 2.15910146e-02 1.18562903e-02 -1.18562903e-02] [-2.15910146e-02 -1.18562903e-02 -1.18562903e-02] [ 2.15910146e-02 -1.18562903e-02 -1.18562903e-02] [-2.15910146e-02 1.18562903e-02 -1.18562903e-02] [-2.15910146e-02 -1.18562903e-02 1.18562903e-02] [ 2.15910146e-02 1.18562903e-02 1.18562903e-02] [ 6.66133815e-16 1.14908083e-14 -1.15185639e-14] [-1.74305015e-14 1.70002901e-14 1.70419234e-14] [-3.60267371e-14 -6.34908792e-15 -6.45317133e-15] [-2.22044605e-15 -1.03458908e-14 1.04569131e-14]] Final stress: [-1.77308342e-03 1.38512173e-04 1.38512173e-04 -8.63804279e-16 3.11379987e-15 -7.22946346e-16] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.18562903e-02 -2.15910146e-02 1.18562903e-02] [-1.18562903e-02 2.15910146e-02 1.18562903e-02] [-1.18562903e-02 -2.15910146e-02 -1.18562903e-02] [ 1.18562903e-02 2.15910146e-02 -1.18562903e-02] [-1.18562903e-02 2.15910146e-02 -1.18562903e-02] [ 1.18562903e-02 -2.15910146e-02 -1.18562903e-02] [ 1.18562903e-02 2.15910146e-02 1.18562903e-02] [-1.18562903e-02 -2.15910146e-02 1.18562903e-02] [ 4.03149736e-15 2.61457522e-14 -4.01761957e-15] [-2.24126273e-15 -8.49320614e-15 -2.22044605e-15] [ 1.50573998e-15 1.57651669e-14 -1.49880108e-15] [ 3.74006381e-15 1.67643677e-14 3.69149156e-15]] Final stress: [ 1.38512173e-04 -1.77308342e-03 1.38512173e-04 -4.63711779e-15 2.32688152e-15 3.43621062e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.18562902e-02 1.18562902e-02 -2.15910147e-02] [-1.18562902e-02 -1.18562902e-02 -2.15910147e-02] [-1.18562902e-02 1.18562902e-02 2.15910147e-02] [ 1.18562902e-02 -1.18562902e-02 2.15910147e-02] [-1.18562902e-02 -1.18562902e-02 2.15910147e-02] [ 1.18562902e-02 1.18562902e-02 2.15910147e-02] [ 1.18562902e-02 -1.18562902e-02 -2.15910147e-02] [-1.18562902e-02 1.18562902e-02 -2.15910147e-02] [ 6.76542156e-15 -6.62664368e-15 -2.05391260e-14] [-1.20042865e-15 1.22124533e-15 2.05391260e-15] [-2.58820743e-15 -2.60208521e-15 1.28230759e-14] [-4.17027524e-15 -4.11476409e-15 -6.88338275e-15]] Final stress: [ 1.38512172e-04 1.38512172e-04 -1.77308342e-03 4.18725859e-15 1.31191441e-15 1.55503427e-15] Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.89474145e-03 -2.94153349e-03 -2.94153349e-03] [ 4.89474142e-03 2.94153345e-03 -2.94153345e-03] [ 4.89474144e-03 -2.94153347e-03 2.94153347e-03] [-4.89474143e-03 2.94153346e-03 2.94153346e-03] [ 4.89474145e-03 2.94153349e-03 2.94153349e-03] [-4.89474142e-03 -2.94153345e-03 2.94153345e-03] [-4.89474144e-03 2.94153347e-03 -2.94153347e-03] [ 4.89474143e-03 -2.94153346e-03 -2.94153346e-03] [-7.29583061e-13 8.38946967e-14 -8.68506655e-14] [-1.13242749e-13 -1.37390099e-14 -1.48075996e-14] [-6.31994457e-14 -2.15868989e-14 -2.15730211e-14] [ 5.79813975e-14 -1.08003884e-14 9.84975990e-15]] Final stress: [-1.14687919e-03 -3.43939504e-05 -3.43939505e-05 -8.10461012e-14 -1.32010457e-13 6.44490836e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.94153349e-03 -4.89474145e-03 -2.94153349e-03] [ 2.94153347e-03 4.89474144e-03 -2.94153347e-03] [ 2.94153346e-03 -4.89474143e-03 2.94153346e-03] [-2.94153345e-03 4.89474142e-03 2.94153345e-03] [ 2.94153349e-03 4.89474145e-03 2.94153349e-03] [-2.94153347e-03 -4.89474144e-03 2.94153347e-03] [-2.94153346e-03 4.89474143e-03 -2.94153346e-03] [ 2.94153345e-03 -4.89474142e-03 -2.94153345e-03] [-8.37836744e-14 -7.29194483e-13 8.23438540e-14] [-2.59306465e-14 -6.50035581e-14 -2.59826882e-14] [ 2.35922393e-16 7.75490783e-14 -6.97358837e-16] [-1.03216047e-14 -9.50906021e-14 -9.78384040e-15]] Final stress: [-3.43939505e-05 -1.14687919e-03 -3.43939504e-05 -2.52621981e-15 -7.19667862e-14 -1.32077609e-13] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-2.94153349e-03 -2.94153349e-03 -4.89474145e-03] [ 2.94153346e-03 2.94153346e-03 -4.89474143e-03] [ 2.94153345e-03 -2.94153345e-03 4.89474142e-03] [-2.94153347e-03 2.94153347e-03 4.89474144e-03] [ 2.94153349e-03 2.94153349e-03 4.89474145e-03] [-2.94153346e-03 -2.94153346e-03 4.89474143e-03] [-2.94153345e-03 2.94153345e-03 -4.89474142e-03] [ 2.94153347e-03 -2.94153347e-03 -4.89474144e-03] [ 7.35418670e-14 -7.58525187e-14 -7.88064058e-13] [-4.83016405e-14 4.73961148e-14 -2.78777001e-13] [-9.85669879e-15 -1.03667075e-14 -7.96585020e-14] [-7.49955653e-14 -7.49712792e-14 -5.03125319e-13]] Final stress: [-3.43939505e-05 -3.43939505e-05 -1.14687919e-03 -1.37515769e-13 -6.24339592e-15 -7.72427537e-14] Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 2.05299348e-03 -6.85401734e-04 -6.85401736e-04] [-2.05299347e-03 6.85401736e-04 -6.85401738e-04] [-2.05299348e-03 -6.85401734e-04 6.85401736e-04] [ 2.05299348e-03 6.85401733e-04 6.85401735e-04] [-2.05299348e-03 6.85401734e-04 6.85401736e-04] [ 2.05299347e-03 -6.85401736e-04 6.85401738e-04] [ 2.05299348e-03 6.85401734e-04 -6.85401736e-04] [-2.05299348e-03 -6.85401733e-04 -6.85401735e-04] [-2.13440376e-14 1.41657519e-14 2.36147907e-14] [-7.92421684e-15 1.12271303e-14 -7.70217223e-16] [ 6.55031585e-15 -2.08513762e-15 3.29857669e-15] [-6.88338275e-15 -3.04443970e-15 1.10571274e-14]] Final stress: [-5.59010299e-04 -2.50410643e-05 -2.50410641e-05 8.61926392e-15 1.67251629e-15 -7.18327653e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.85401712e-04 2.05299350e-03 -6.85401710e-04] [ 6.85401713e-04 -2.05299350e-03 -6.85401710e-04] [ 6.85401713e-04 2.05299350e-03 6.85401710e-04] [-6.85401714e-04 -2.05299350e-03 6.85401712e-04] [ 6.85401712e-04 -2.05299350e-03 6.85401710e-04] [-6.85401713e-04 2.05299350e-03 6.85401710e-04] [-6.85401713e-04 -2.05299350e-03 -6.85401710e-04] [ 6.85401714e-04 2.05299350e-03 -6.85401712e-04] [ 1.18663759e-14 -1.72713406e-15 2.21594661e-14] [-1.71303943e-15 3.33066907e-15 -2.25253843e-15] [ 1.75779530e-14 -9.08995101e-15 -3.93088340e-15] [-2.13197515e-15 -1.08385523e-14 2.35592795e-14]] Final stress: [-2.50410639e-05 -5.59010299e-04 -2.50410640e-05 -4.96324450e-15 5.58646692e-15 5.57008849e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-6.85401639e-04 -6.85401642e-04 2.05299357e-03] [ 6.85401638e-04 6.85401640e-04 2.05299357e-03] [ 6.85401639e-04 -6.85401641e-04 -2.05299357e-03] [-6.85401638e-04 6.85401640e-04 -2.05299357e-03] [ 6.85401639e-04 6.85401642e-04 -2.05299357e-03] [-6.85401638e-04 -6.85401640e-04 -2.05299357e-03] [-6.85401638e-04 6.85401641e-04 2.05299357e-03] [ 6.85401638e-04 -6.85401640e-04 2.05299357e-03] [-1.43635104e-14 1.71846044e-16 3.72109028e-15] [-4.10869255e-15 -9.57220414e-15 8.00748357e-15] [-2.64024913e-15 -1.69482484e-15 2.23987495e-14] [-7.43329009e-16 -8.61290206e-16 1.58761893e-14]] Final stress: [-2.50410632e-05 -2.50410630e-05 -5.59010298e-04 -1.47506040e-15 -6.00395711e-15 -3.86246312e-15] 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 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.39221838e-03 -5.15926774e-04 -5.15926775e-04] [-1.39221839e-03 5.15926773e-04 -5.15926774e-04] [-1.39221838e-03 -5.15926774e-04 5.15926775e-04] [ 1.39221839e-03 5.15926773e-04 5.15926773e-04] [-1.39221838e-03 5.15926774e-04 5.15926775e-04] [ 1.39221839e-03 -5.15926773e-04 5.15926774e-04] [ 1.39221838e-03 5.15926774e-04 -5.15926775e-04] [-1.39221839e-03 -5.15926773e-04 -5.15926773e-04] [ 7.73686670e-15 2.38064776e-14 1.67105912e-14] [-1.39818712e-14 1.11247817e-14 -1.51094415e-15] [ 1.08663079e-14 4.03063000e-15 1.98842678e-15] [-2.14481211e-14 -2.26858463e-15 1.56662877e-14]] Final stress: [-2.64991657e-04 -1.81609658e-05 -1.81609657e-05 1.35507315e-15 -6.90463379e-15 5.69585939e-16] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.15926697e-04 1.39221846e-03 -5.15926696e-04] [ 5.15926699e-04 -1.39221846e-03 -5.15926698e-04] [ 5.15926697e-04 1.39221846e-03 5.15926697e-04] [-5.15926698e-04 -1.39221846e-03 5.15926697e-04] [ 5.15926697e-04 -1.39221846e-03 5.15926696e-04] [-5.15926699e-04 1.39221846e-03 5.15926698e-04] [-5.15926697e-04 -1.39221846e-03 -5.15926697e-04] [ 5.15926698e-04 1.39221846e-03 -5.15926697e-04] [ 6.27362745e-15 1.62576116e-16 2.33699236e-14] [ 6.24240243e-15 -2.70963807e-14 6.67001177e-16] [ 1.84366411e-14 -9.41607903e-15 2.17230747e-15] [-1.92901251e-15 -1.01516018e-14 1.17874460e-14]] Final stress: [-1.81609649e-05 -2.64991656e-04 -1.81609649e-05 5.15342975e-15 7.62533467e-15 -6.99622827e-16] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-5.15926696e-04 -5.15926696e-04 1.39221846e-03] [ 5.15926698e-04 5.15926698e-04 1.39221846e-03] [ 5.15926698e-04 -5.15926698e-04 -1.39221846e-03] [-5.15926698e-04 5.15926698e-04 -1.39221846e-03] [ 5.15926696e-04 5.15926696e-04 -1.39221846e-03] [-5.15926698e-04 -5.15926698e-04 -1.39221846e-03] [-5.15926698e-04 5.15926698e-04 1.39221846e-03] [ 5.15926698e-04 -5.15926698e-04 1.39221846e-03] [ 1.08290113e-15 -1.35591408e-14 1.90711162e-15] [-8.56953397e-16 6.41847686e-17 9.71445147e-17] [ 7.63278329e-17 -3.24393290e-16 -1.11022302e-16] [ 3.56897671e-15 -2.88874827e-15 6.68215483e-15]] Final stress: [-1.81609649e-05 -1.81609649e-05 -2.64991656e-04 6.87953743e-15 4.94996786e-15 4.41344965e-15] 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 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 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 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 1 steps. Minimization converged after 5 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. 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]: [[ 0. 0. 0. -0. 0. -0.] [ 0. 0. 0. -0. 0. -0.] [ 0. 0. 0. -0. -0. 0.] [-0. -0. -0. 0. 0. 0.] [ 0. 0. -0. 0. 0. 0.] [-0. -0. 0. 0. 0. 0.]] 95%% Error estimate [ASE units]: [[0.00003 0.00003 0.00003 0. 0. 0. ] [0.00003 0.00003 0.00003 0. 0. 0. ] [0.00003 0.00003 0.00003 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ] [0. 0. 0. 0. 0. 0. ]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000017 is too big compared to maximum elastic constant component 0.000003 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000001 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000003 [ASE units] and requested fractional tolerance 0.010000. 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 1 steps. Minimization converged after 5 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 11 steps. Minimization converged after 5 steps. Minimization converged after 11 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 15 steps. Minimization converged after 4 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 9 steps. Minimization converged after 4 steps. Minimization converged after 9 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[-1.04116994e-04 5.24171182e-05 1.48173116e-04] [-4.99807995e-04 -1.12557656e-04 1.12557668e-04] [-4.99809606e-04 1.12559168e-04 -1.12559180e-04] [-1.04111519e-04 -5.24222823e-05 -1.48178259e-04] [ 1.04116995e-04 -5.24171302e-05 -1.48173124e-04] [ 4.99807996e-04 1.12557655e-04 -1.12557667e-04] [ 4.99809598e-04 -1.12559167e-04 1.12559179e-04] [ 1.04111519e-04 5.24222840e-05 1.48178254e-04] [ 9.23452981e-12 -1.16141471e-12 6.04424150e-12] [-1.99937289e-12 1.24449340e-11 -9.22092264e-13] [ 1.70335968e-12 -1.34424416e-12 -3.59143271e-13] [-2.11378137e-12 -8.16222090e-14 8.66573480e-12]] Final stress: [ 1.78234194e-03 5.58039509e-04 4.81151354e-04 7.40292523e-06 -1.08092854e-11 -2.00360645e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 4.99791342e-04 1.12590619e-04 1.12590631e-04] [ 1.03745128e-04 -5.30022277e-05 1.48726988e-04] [ 1.03736105e-04 5.30107286e-05 -1.48735453e-04] [ 4.99779743e-04 -1.12579694e-04 -1.12579706e-04] [-4.99791350e-04 -1.12590620e-04 -1.12590632e-04] [-1.03745129e-04 5.30022250e-05 -1.48726992e-04] [-1.03736109e-04 -5.30107293e-05 1.48735454e-04] [-4.99779743e-04 1.12579694e-04 1.12579706e-04] [ 3.98045485e-12 2.48608079e-12 1.46552909e-13] [ 1.74804615e-13 -7.66747776e-15 -1.40126799e-12] [ 8.32342528e-12 1.10750992e-12 4.96664515e-12] [ 8.77464768e-13 7.19535542e-13 1.51822999e-14]] Final stress: [ 1.78234419e-03 5.58044702e-04 4.81156802e-04 -7.40622382e-06 5.84296805e-11 7.60489090e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.48291939e-04 -1.04037609e-04 5.25427027e-05] [-1.12568482e-04 -4.99806899e-04 1.12568470e-04] [-1.48298410e-04 -1.04030726e-04 -5.25491932e-05] [ 1.12559743e-04 -4.99797612e-04 -1.12559731e-04] [-1.48291955e-04 1.04037612e-04 -5.25427093e-05] [ 1.12568481e-04 4.99806889e-04 -1.12568469e-04] [ 1.48298404e-04 1.04030725e-04 5.25491955e-05] [-1.12559742e-04 4.99797615e-04 1.12559731e-04] [ 7.70325470e-12 1.05541305e-11 -1.32885630e-12] [-3.31408512e-13 4.28240776e-13 -1.98964456e-12] [ 1.61664154e-11 -5.36728995e-12 -4.13571954e-13] [-6.81364687e-13 -1.21780364e-12 7.52495288e-12]] Final stress: [ 4.81152527e-04 1.78234242e-03 5.58040628e-04 -4.58958953e-11 7.40363544e-06 7.10375838e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.12563172e-04 4.99816503e-04 1.12563160e-04] [-1.48154455e-04 1.04128832e-04 5.23973145e-05] [-1.12554001e-04 4.99806763e-04 -1.12553989e-04] [ 1.48156544e-04 1.04126610e-04 -5.23994089e-05] [-1.12563172e-04 -4.99816507e-04 -1.12563161e-04] [ 1.48154455e-04 -1.04128837e-04 -5.23973154e-05] [ 1.12554001e-04 -4.99806764e-04 1.12553990e-04] [-1.48156544e-04 -1.04126610e-04 5.23994158e-05] [-4.59591566e-13 5.40136338e-12 -6.70370703e-12] [ 6.97553126e-13 4.41241488e-12 5.70831576e-13] [-1.02341746e-13 -3.03451708e-13 6.30023811e-13] [-6.30426267e-13 5.97660810e-13 -1.15372989e-13]] Final stress: [ 4.81151162e-04 1.78234187e-03 5.58039325e-04 3.40504539e-11 -7.40279873e-06 2.15164828e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 5.32993582e-05 1.49008455e-04 -1.03554620e-04] [-5.33052807e-05 -1.49014354e-04 -1.03548339e-04] [-1.12599865e-04 1.12599877e-04 -4.99779140e-04] [ 1.12600519e-04 -1.12600530e-04 -4.99779839e-04] [-5.32993661e-05 -1.49008464e-04 1.03554619e-04] [ 5.33052811e-05 1.49014349e-04 1.03548338e-04] [ 1.12599865e-04 -1.12599877e-04 4.99779140e-04] [-1.12600518e-04 1.12600530e-04 4.99779830e-04] [-1.19327812e-12 6.15761955e-12 9.49260115e-12] [-9.98576222e-14 8.76991535e-12 -2.11541895e-12] [ 8.55282511e-12 -7.08932912e-13 -7.74907916e-13] [-1.33740241e-13 -3.58588159e-13 2.85357848e-12]] Final stress: [ 5.58047323e-04 4.81159555e-04 1.78234534e-03 -1.56754046e-11 -1.97144384e-11 7.40787774e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 13 steps. Final forces: [[ 1.12611498e-04 1.12611510e-04 4.99782709e-04] [-1.12602326e-04 -1.12602337e-04 4.99772971e-04] [-5.34117651e-05 1.49114879e-04 1.03483029e-04] [ 5.34183288e-05 -1.49121414e-04 1.03476060e-04] [-1.12611499e-04 -1.12611511e-04 -4.99782717e-04] [ 1.12602325e-04 1.12602337e-04 -4.99772971e-04] [ 5.34117627e-05 -1.49114882e-04 -1.03483029e-04] [-5.34183295e-05 1.49121417e-04 -1.03476065e-04] [ 2.28080055e-12 1.69171101e-13 4.28299236e-12] [ 9.02111719e-13 4.21052082e-14 4.14612789e-13] [-7.82707232e-14 -3.31604189e-12 1.05021547e-12] [ 1.17804377e-12 4.56145538e-12 8.71613892e-12]] Final stress: [ 5.58048329e-04 4.81160610e-04 1.78234578e-03 4.73500036e-11 8.10308550e-12 -7.40850234e-06] Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 4 steps. Minimization converged after 6 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 12 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 3 steps. Minimization converged after 5 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 14 steps. Minimization converged after 3 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 6 steps. Minimization converged after 3 steps. Minimization converged after 6 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 16 steps. Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.69214123e-02 4.65206053e-02 4.65206053e-02] [ 7.69214123e-02 -4.65206053e-02 4.65206053e-02] [ 7.69214123e-02 4.65206053e-02 -4.65206053e-02] [-7.69214123e-02 -4.65206053e-02 -4.65206053e-02] [ 7.69214123e-02 -4.65206053e-02 -4.65206053e-02] [-7.69214123e-02 4.65206053e-02 -4.65206053e-02] [-7.69214123e-02 -4.65206053e-02 4.65206053e-02] [ 7.69214123e-02 4.65206053e-02 4.65206053e-02] [-1.66533454e-15 -2.07472928e-15 2.47718512e-15] [ 3.66373598e-15 -7.95197241e-15 -7.93115573e-15] [-5.88418203e-15 2.76167977e-15 2.60208521e-15] [ 1.11022302e-14 -1.93595140e-15 2.13024043e-15]] Final stress: [ 8.77655313e-04 5.39177448e-04 5.39177449e-04 8.49402819e-15 1.15119329e-15 -1.06415184e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.65206053e-02 -7.69214123e-02 4.65206053e-02] [-4.65206053e-02 7.69214123e-02 4.65206053e-02] [-4.65206053e-02 -7.69214123e-02 -4.65206053e-02] [ 4.65206053e-02 7.69214123e-02 -4.65206053e-02] [-4.65206053e-02 7.69214123e-02 -4.65206053e-02] [ 4.65206053e-02 -7.69214123e-02 -4.65206053e-02] [ 4.65206053e-02 7.69214123e-02 4.65206053e-02] [-4.65206053e-02 -7.69214123e-02 4.65206053e-02] [ 5.44009282e-15 8.10462808e-15 -5.28049826e-15] [-1.56263891e-14 -5.55111512e-16 -1.54321000e-14] [ 1.16920362e-14 9.76996262e-15 -1.16850973e-14] [-4.61436445e-15 5.88418203e-15 -4.99600361e-15]] Final stress: [5.39177449e-04 8.77655313e-04 5.39177449e-04 8.45986676e-15 1.16112584e-14 2.04921764e-15] Minimization converged after 3 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 4.65206053e-02 4.65206053e-02 -7.69214123e-02] [-4.65206053e-02 -4.65206053e-02 -7.69214123e-02] [-4.65206053e-02 4.65206053e-02 7.69214123e-02] [ 4.65206053e-02 -4.65206053e-02 7.69214123e-02] [-4.65206053e-02 -4.65206053e-02 7.69214123e-02] [ 4.65206053e-02 4.65206053e-02 7.69214123e-02] [ 4.65206053e-02 -4.65206053e-02 -7.69214123e-02] [-4.65206053e-02 4.65206053e-02 -7.69214123e-02] [ 8.79851747e-15 -8.70831185e-15 9.65894031e-15] [ 4.46170878e-15 -3.92741395e-15 1.03250741e-14] [-2.17187379e-15 -2.13717932e-15 -6.10622664e-15] [-9.74914593e-15 -9.61036806e-15 7.99360578e-15]] Final stress: [5.39177448e-04 5.39177449e-04 8.77655313e-04 4.94884423e-15 6.23797013e-15 4.18688062e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 7.47767459e-02 5.93614436e-02 5.93700926e-02] [ 6.62060614e-02 6.47348757e-02 -6.47348757e-02] [ 6.62060614e-02 -6.47348757e-02 6.47348757e-02] [ 7.47767459e-02 -5.93614436e-02 -5.93700927e-02] [-7.47767459e-02 -5.93614436e-02 -5.93700926e-02] [-6.62060614e-02 -6.47348757e-02 6.47348757e-02] [-6.62060614e-02 6.47348757e-02 -6.47348757e-02] [-7.47767459e-02 5.93614436e-02 5.93700927e-02] [-3.03854164e-14 -9.88185228e-15 4.16199193e-14] [-2.39634701e-14 1.08718590e-13 -2.44526621e-14] [-2.15938378e-14 -1.00558450e-13 2.20240493e-14] [ 1.78329573e-15 -5.48519563e-15 3.02535774e-14]] Final stress: [ 3.01392724e-05 6.74911404e-04 6.74085527e-04 6.21426639e-04 -6.61295418e-14 -3.30046840e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.62060614e-02 -6.47348756e-02 -6.47348757e-02] [-7.47767458e-02 -5.93614435e-02 5.93700925e-02] [-7.47767458e-02 5.93614435e-02 -5.93700926e-02] [-6.62060614e-02 6.47348756e-02 6.47348757e-02] [ 6.62060614e-02 6.47348756e-02 6.47348757e-02] [ 7.47767458e-02 5.93614435e-02 -5.93700925e-02] [ 7.47767458e-02 -5.93614435e-02 5.93700926e-02] [ 6.62060614e-02 -6.47348756e-02 -6.47348757e-02] [-9.36438427e-14 4.45671278e-13 9.47748824e-14] [-2.74433254e-15 3.26821903e-15 1.95399252e-14] [ 1.02209907e-14 3.30811767e-15 4.74897899e-14] [ 3.66720543e-15 1.85684801e-14 3.61516372e-15]] Final stress: [ 3.01392721e-05 6.74911403e-04 6.74085525e-04 -6.21426638e-04 3.65028192e-14 -1.20819280e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.93700927e-02 7.47767459e-02 5.93614436e-02] [ 6.47348757e-02 6.62060615e-02 -6.47348757e-02] [-5.93700927e-02 7.47767459e-02 -5.93614436e-02] [-6.47348757e-02 6.62060614e-02 6.47348757e-02] [-5.93700927e-02 -7.47767459e-02 -5.93614436e-02] [-6.47348757e-02 -6.62060615e-02 6.47348757e-02] [ 5.93700927e-02 -7.47767459e-02 5.93614436e-02] [ 6.47348757e-02 -6.62060614e-02 -6.47348757e-02] [ 1.39610545e-14 -1.02695630e-14 -3.32373018e-15] [ 1.84921523e-15 -1.78329573e-15 -5.30131494e-15] [-6.38378239e-15 -1.01516018e-14 -7.15399961e-15] [-2.34604003e-14 -2.31412112e-14 1.16018306e-13]] Final stress: [6.74085527e-04 3.01392723e-05 6.74911404e-04 3.09513577e-14 6.21426639e-04 9.30611035e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.47348757e-02 -6.62060614e-02 -6.47348756e-02] [-5.93700926e-02 -7.47767458e-02 5.93614436e-02] [ 6.47348757e-02 -6.62060614e-02 6.47348757e-02] [ 5.93700926e-02 -7.47767458e-02 -5.93614436e-02] [ 6.47348757e-02 6.62060614e-02 6.47348756e-02] [ 5.93700926e-02 7.47767458e-02 -5.93614436e-02] [-6.47348757e-02 6.62060614e-02 -6.47348757e-02] [-5.93700926e-02 7.47767458e-02 5.93614436e-02] [ 9.13331910e-14 -9.03548070e-14 4.32598402e-13] [ 1.40137901e-13 3.31262795e-14 2.41820453e-14] [ 2.16146545e-15 2.28636554e-15 1.32671651e-14] [ 6.68909372e-15 -5.91714178e-15 7.14706072e-15]] Final stress: [ 6.74085526e-04 3.01392722e-05 6.74911403e-04 3.22667798e-14 -6.21426638e-04 3.24860941e-14] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[ 5.93614436e-02 5.93700927e-02 7.47767459e-02] [-5.93614437e-02 -5.93700927e-02 7.47767459e-02] [ 6.47348757e-02 -6.47348757e-02 6.62060614e-02] [-6.47348757e-02 6.47348757e-02 6.62060615e-02] [-5.93614436e-02 -5.93700927e-02 -7.47767459e-02] [ 5.93614437e-02 5.93700927e-02 -7.47767459e-02] [-6.47348757e-02 6.47348757e-02 -6.62060614e-02] [ 6.47348757e-02 -6.47348757e-02 -6.62060615e-02] [ 9.21571847e-15 -6.99778777e-14 -2.00187089e-14] [-1.10952914e-14 3.16691118e-14 -7.20083715e-15] [ 1.15740750e-13 -2.55281907e-14 -2.50736931e-14] [-9.05664432e-14 2.10075013e-14 -2.03725925e-14]] Final stress: [ 6.74911404e-04 6.74085527e-04 3.01392724e-05 -8.30358046e-14 -1.75924238e-14 6.21426639e-04] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 4 steps. Final forces: [[-6.47348757e-02 -6.47348757e-02 -6.62060614e-02] [ 6.47348757e-02 6.47348757e-02 -6.62060615e-02] [-5.93614436e-02 5.93700926e-02 -7.47767458e-02] [ 5.93614436e-02 -5.93700926e-02 -7.47767459e-02] [ 6.47348757e-02 6.47348757e-02 6.62060614e-02] [-6.47348757e-02 -6.47348757e-02 6.62060615e-02] [ 5.93614436e-02 -5.93700926e-02 7.47767458e-02] [-5.93614436e-02 5.93700926e-02 7.47767459e-02] [ 5.61189983e-13 1.17541393e-13 -1.16184840e-13] [-8.43769499e-15 -4.23272528e-16 -3.92047506e-16] [-1.25593980e-15 -2.02615702e-15 1.58553726e-15] [ 2.13717932e-15 3.75255382e-14 -9.52016244e-15]] Final stress: [ 6.74911404e-04 6.74085526e-04 3.01392722e-05 8.08833378e-14 8.12268239e-15 -6.21426639e-04] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-1.72016123e-02 9.26147222e-03 9.26147222e-03] [ 1.72016123e-02 -9.26147222e-03 9.26147222e-03] [ 1.72016123e-02 9.26147222e-03 -9.26147222e-03] [-1.72016123e-02 -9.26147222e-03 -9.26147222e-03] [ 1.72016123e-02 -9.26147222e-03 -9.26147222e-03] [-1.72016123e-02 9.26147222e-03 -9.26147222e-03] [-1.72016123e-02 -9.26147222e-03 9.26147222e-03] [ 1.72016123e-02 9.26147222e-03 9.26147222e-03] [-1.87072580e-14 1.27085842e-14 -1.26426647e-14] [ 1.11577414e-14 2.25860997e-15 2.18922103e-15] [-1.71529457e-14 -1.57998614e-14 -1.58102698e-14] [ 1.53765889e-14 -1.49533164e-15 1.47104551e-15]] Final stress: [-1.75716035e-03 1.08239686e-04 1.08239686e-04 4.29584817e-15 5.99404410e-16 3.64958251e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.26147222e-03 -1.72016123e-02 9.26147222e-03] [-9.26147222e-03 1.72016123e-02 9.26147222e-03] [-9.26147222e-03 -1.72016123e-02 -9.26147222e-03] [ 9.26147222e-03 1.72016123e-02 -9.26147222e-03] [-9.26147222e-03 1.72016123e-02 -9.26147222e-03] [ 9.26147222e-03 -1.72016123e-02 -9.26147222e-03] [ 9.26147222e-03 1.72016123e-02 9.26147222e-03] [-9.26147222e-03 -1.72016123e-02 9.26147222e-03] [-1.39159517e-14 -1.03805853e-14 1.39471767e-14] [-1.58102698e-14 -1.71529457e-14 -1.57998614e-14] [ 1.47104551e-15 1.53765889e-14 -1.49533164e-15] [ 2.55004351e-15 1.74305015e-14 2.61943245e-15]] Final stress: [ 1.08239686e-04 -1.75716035e-03 1.08239686e-04 3.63233011e-15 4.27936805e-15 5.70028698e-16] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.26147222e-03 9.26147222e-03 -1.72016123e-02] [-9.26147222e-03 -9.26147222e-03 -1.72016123e-02] [-9.26147222e-03 9.26147222e-03 1.72016123e-02] [ 9.26147222e-03 -9.26147222e-03 1.72016123e-02] [-9.26147222e-03 -9.26147222e-03 1.72016123e-02] [ 9.26147222e-03 9.26147222e-03 1.72016123e-02] [ 9.26147222e-03 -9.26147222e-03 -1.72016123e-02] [-9.26147222e-03 9.26147222e-03 -1.72016123e-02] [-4.64905892e-16 4.26741975e-16 8.43769499e-15] [-3.08086889e-15 3.21270788e-15 -6.10622664e-16] [ 6.34908792e-16 4.12864187e-16 -1.22124533e-14] [-9.27730115e-15 -9.37097622e-15 -2.57571742e-14]] Final stress: [ 1.08239686e-04 1.08239686e-04 -1.75716035e-03 3.01917040e-15 6.18871647e-16 3.64958251e-15] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 1.57300434e-04 -1.51143307e-04 8.31713562e-05] [ 3.26872397e-04 1.42695702e-04 -1.42764002e-04] [ 3.26871919e-04 -1.42695208e-04 1.42763505e-04] [ 1.57302295e-04 1.51141258e-04 -8.31734355e-05] [-1.57300435e-04 1.51143332e-04 -8.31713763e-05] [-3.26872397e-04 -1.42695702e-04 1.42764000e-04] [-3.26871919e-04 1.42695208e-04 -1.42763507e-04] [-1.57302305e-04 -1.51141193e-04 8.31734839e-05] [ 5.32140651e-12 -6.33512340e-12 -4.28277969e-11] [-3.10713955e-12 -2.98113756e-11 -1.99907278e-12] [ 4.59084853e-12 -5.85257398e-11 -3.56169781e-12] [ 4.37206868e-12 4.79812370e-12 2.40982234e-11]] Final stress: [-1.02559239e-06 8.50180741e-04 8.49971193e-04 8.34202791e-06 -4.15248878e-12 -6.96920710e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-3.26730006e-04 -1.42548841e-04 -1.42617142e-04] [-1.57361709e-04 1.51173401e-04 8.31449440e-05] [-1.57351864e-04 -1.51184587e-04 -8.31337590e-05] [-3.26722124e-04 1.42540695e-04 1.42608994e-04] [ 3.26730006e-04 1.42548843e-04 1.42617142e-04] [ 1.57361704e-04 -1.51173452e-04 -8.31449084e-05] [ 1.57351872e-04 1.51184518e-04 8.31338246e-05] [ 3.26722124e-04 -1.42540693e-04 -1.42608995e-04] [ 3.61569585e-12 5.01290971e-11 -3.08468875e-12] [-4.08914222e-12 1.95338190e-12 -6.00904049e-11] [ 1.36803069e-12 -7.82394982e-13 -3.11993487e-11] [-4.57752586e-12 6.46386833e-11 -5.33240119e-12]] Final stress: [-1.02446593e-06 8.50182061e-04 8.49972519e-04 -8.34035149e-06 -5.27775026e-11 6.35665867e-12] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[ 8.30024629e-05 1.57238555e-04 -1.51336309e-04] [ 1.42690125e-04 3.26800573e-04 -1.42621818e-04] [-8.29917496e-05 1.57229054e-04 1.51346965e-04] [-1.42689793e-04 3.26800254e-04 1.42621483e-04] [-8.30024297e-05 -1.57238554e-04 1.51336298e-04] [-1.42690121e-04 -3.26800573e-04 1.42621814e-04] [ 8.29917910e-05 -1.57229059e-04 -1.51347004e-04] [ 1.42689797e-04 -3.26800254e-04 -1.42621486e-04] [-4.81207851e-11 9.72911682e-12 -8.73580722e-12] [ 2.64027515e-12 -5.31114389e-12 4.98421582e-11] [-3.53770346e-11 -3.49154386e-12 5.25100796e-14] [-1.95418508e-12 1.81245990e-12 1.42492684e-11]] Final stress: [ 8.49971133e-04 -1.02554273e-06 8.50180693e-04 2.93194568e-11 8.33980739e-06 2.74269797e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.42680395e-04 -3.26791614e-04 -1.42612106e-04] [-8.33038142e-05 -1.57403429e-04 -1.50988052e-04] [ 1.42671217e-04 -3.26782736e-04 1.42602928e-04] [ 8.33273098e-05 -1.57424261e-04 1.50964526e-04] [ 1.42680396e-04 3.26791614e-04 1.42612105e-04] [ 8.33038127e-05 1.57403431e-04 1.50988026e-04] [-1.42671220e-04 3.26782736e-04 -1.42602927e-04] [-8.33272734e-05 1.57424254e-04 -1.50964608e-04] [-6.26863492e-12 7.12524180e-12 8.18937127e-11] [-2.77068368e-11 1.63150743e-13 -1.37390099e-12] [-5.88266935e-12 -4.09971015e-12 2.82426582e-11] [ 6.45447584e-12 1.70187822e-12 -3.52343155e-13]] Final stress: [ 8.49972558e-04 -1.02451086e-06 8.50182088e-04 3.62240258e-11 -8.34260250e-06 -8.85016266e-11] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.51493560e-04 8.28648273e-05 1.57127486e-04] [ 1.51469988e-04 -8.28883929e-05 1.57148411e-04] [ 1.42704315e-04 -1.42772636e-04 3.26880312e-04] [-1.42701779e-04 1.42770090e-04 3.26877853e-04] [ 1.51493591e-04 -8.28647322e-05 -1.57127477e-04] [-1.51469916e-04 8.28884175e-05 -1.57148418e-04] [-1.42704314e-04 1.42772630e-04 -3.26880312e-04] [ 1.42701772e-04 -1.42770088e-04 -3.26877853e-04] [-3.22224539e-12 -1.85338698e-11 1.91342515e-12] [-3.47317140e-12 -9.57255664e-11 -9.28864971e-12] [-2.05263861e-11 -1.97385337e-12 4.23081709e-13] [-6.96292191e-11 6.25333119e-14 4.93806038e-12]] Final stress: [ 8.50179507e-04 8.49969932e-04 -1.02650000e-06 -5.55214672e-11 -6.99847208e-11 8.33937243e-06] The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 12 steps. Final forces: [[-1.42626267e-04 -1.42694566e-04 -3.26805027e-04] [ 1.42632066e-04 1.42700366e-04 -3.26810638e-04] [ 1.51198514e-04 8.31230538e-05 -1.57308282e-04] [-1.51197463e-04 -8.31241183e-05 -1.57309225e-04] [ 1.42626265e-04 1.42694569e-04 3.26805027e-04] [-1.42632066e-04 -1.42700366e-04 3.26810638e-04] [-1.51198546e-04 -8.31230376e-05 1.57308278e-04] [ 1.51197493e-04 8.31240577e-05 1.57309221e-04] [ 3.22388505e-11 -3.44016829e-12 3.01883518e-12] [-2.46741516e-11 -4.14873691e-12 -1.01377587e-12] [-4.34820235e-12 6.19428120e-11 5.19291207e-12] [-2.28497776e-13 -1.25133792e-11 3.36439210e-13]] Final stress: [ 8.50181199e-04 8.49971651e-04 -1.02518681e-06 1.92787608e-11 1.37198101e-11 -8.34096293e-06] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 9.41974254e-04 -9.13270214e-04 -9.13270220e-04] [-9.41974247e-04 9.13270221e-04 -9.13270227e-04] [-9.41974245e-04 -9.13270223e-04 9.13270229e-04] [ 9.41974245e-04 9.13270223e-04 9.13270229e-04] [-9.41974254e-04 9.13270214e-04 9.13270220e-04] [ 9.41974247e-04 -9.13270221e-04 9.13270227e-04] [ 9.41974245e-04 9.13270223e-04 -9.13270229e-04] [-9.41974245e-04 -9.13270223e-04 -9.13270229e-04] [-4.01345623e-14 1.78190795e-14 2.31967223e-14] [-2.38697950e-15 -4.92661467e-16 2.13370988e-15] [-1.96787031e-14 -1.60999686e-14 6.19296281e-15] [-5.35682609e-15 -4.97171748e-15 -4.77048956e-15]] Final stress: [-1.08720507e-03 -2.76916444e-05 -2.76916440e-05 2.13702802e-14 2.04271906e-14 2.99885846e-14] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.13270220e-04 9.41974254e-04 -9.13270214e-04] [ 9.13270229e-04 -9.41974245e-04 -9.13270223e-04] [ 9.13270230e-04 9.41974244e-04 9.13270224e-04] [-9.13270227e-04 -9.41974247e-04 9.13270221e-04] [ 9.13270220e-04 -9.41974254e-04 9.13270214e-04] [-9.13270229e-04 9.41974245e-04 9.13270223e-04] [-9.13270230e-04 -9.41974244e-04 -9.13270224e-04] [ 9.13270227e-04 9.41974247e-04 -9.13270221e-04] [ 2.07256087e-14 -3.74432473e-14 1.70161194e-14] [-6.12357387e-16 -3.22797344e-14 -2.91953961e-15] [ 6.72031875e-15 -2.80331314e-15 -7.21124549e-15] [ 2.41473508e-15 1.19348975e-15 -9.22872889e-16]] Final stress: [-2.76916440e-05 -1.08720507e-03 -2.76916444e-05 3.42599074e-14 1.81498652e-14 2.34743056e-14] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-9.13270214e-04 -9.13270220e-04 9.41974254e-04] [ 9.13270224e-04 9.13270230e-04 9.41974244e-04] [ 9.13270224e-04 -9.13270230e-04 -9.41974244e-04] [-9.13270223e-04 9.13270229e-04 -9.41974245e-04] [ 9.13270214e-04 9.13270220e-04 -9.41974254e-04] [-9.13270224e-04 -9.13270230e-04 -9.41974244e-04] [-9.13270224e-04 9.13270230e-04 9.41974244e-04] [ 9.13270223e-04 -9.13270229e-04 9.41974245e-04] [ 1.09573808e-14 2.68039714e-14 -3.59572398e-14] [ 8.36136715e-16 -4.62824223e-15 8.32667268e-17] [-2.11636264e-16 3.57699981e-15 3.30291350e-15] [-1.70176373e-15 -1.61329283e-16 -3.03368441e-14]] Final stress: [-2.76916444e-05 -2.76916440e-05 -1.08720507e-03 3.25587173e-14 2.58294997e-14 2.62531544e-14] 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 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.98091358e-03 -7.15220298e-04 -7.15220300e-04] [-1.98091358e-03 7.15220299e-04 -7.15220301e-04] [-1.98091358e-03 -7.15220300e-04 7.15220302e-04] [ 1.98091358e-03 7.15220299e-04 7.15220301e-04] [-1.98091358e-03 7.15220298e-04 7.15220300e-04] [ 1.98091358e-03 -7.15220299e-04 7.15220301e-04] [ 1.98091358e-03 7.15220300e-04 -7.15220302e-04] [-1.98091358e-03 -7.15220299e-04 -7.15220301e-04] [ 9.29811783e-15 2.36546893e-14 4.82773543e-15] [-1.40165657e-14 1.74079501e-14 -2.91953961e-15] [-3.33066907e-16 -2.04654002e-15 -1.62803798e-15] [-3.91353616e-15 2.99153063e-15 1.23928645e-14]] Final stress: [-5.18879671e-04 -2.52393364e-05 -2.52393363e-05 5.10252150e-15 -2.22770732e-15 3.87334949e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.15220300e-04 1.98091358e-03 -7.15220298e-04] [ 7.15220302e-04 -1.98091358e-03 -7.15220300e-04] [ 7.15220301e-04 1.98091358e-03 7.15220299e-04] [-7.15220301e-04 -1.98091358e-03 7.15220299e-04] [ 7.15220300e-04 -1.98091358e-03 7.15220298e-04] [-7.15220302e-04 1.98091358e-03 7.15220300e-04] [-7.15220301e-04 -1.98091358e-03 -7.15220299e-04] [ 7.15220301e-04 1.98091358e-03 -7.15220299e-04] [ 4.13037660e-15 1.00249670e-14 1.81711200e-14] [-1.63757896e-15 -1.80411242e-16 -2.04307057e-15] [ 1.22245963e-14 -3.98292510e-15 3.02882719e-15] [ 3.17454396e-15 -1.49741330e-14 1.80029602e-14]] Final stress: [-2.52393363e-05 -5.18879671e-04 -2.52393364e-05 3.84280311e-15 5.18595781e-15 -2.17114427e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-7.15220325e-04 -7.15220327e-04 1.98091356e-03] [ 7.15220324e-04 7.15220326e-04 1.98091356e-03] [ 7.15220323e-04 -7.15220325e-04 -1.98091356e-03] [-7.15220323e-04 7.15220325e-04 -1.98091356e-03] [ 7.15220325e-04 7.15220327e-04 -1.98091356e-03] [-7.15220324e-04 -7.15220326e-04 -1.98091356e-03] [-7.15220323e-04 7.15220325e-04 1.98091356e-03] [ 7.15220323e-04 -7.15220325e-04 1.98091356e-03] [ 1.47052509e-14 1.69470557e-14 9.78774353e-15] [-1.87610344e-15 1.12514165e-14 -6.10622664e-16] [ 1.11247817e-14 -2.10595430e-15 8.32667268e-17] [-3.28296418e-16 5.28396771e-15 -9.00668429e-15]] Final stress: [-2.52393367e-05 -2.52393366e-05 -5.18879671e-04 -2.08020203e-15 -1.62341474e-15 -1.13541905e-14] 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 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[ 1.32367902e-03 -4.90382508e-04 -4.90382508e-04] [-1.32367902e-03 4.90382507e-04 -4.90382507e-04] [-1.32367902e-03 -4.90382508e-04 4.90382508e-04] [ 1.32367902e-03 4.90382507e-04 4.90382507e-04] [-1.32367902e-03 4.90382508e-04 4.90382508e-04] [ 1.32367902e-03 -4.90382507e-04 4.90382507e-04] [ 1.32367902e-03 4.90382508e-04 -4.90382508e-04] [-1.32367902e-03 -4.90382507e-04 -4.90382507e-04] [ 5.69683190e-15 2.20422638e-14 1.66160488e-14] [-1.40928935e-14 1.10588622e-14 -2.30718222e-15] [-2.29469221e-14 -6.41305585e-15 1.02695630e-15] [-6.93889390e-17 3.80598331e-15 1.21135740e-14]] Final stress: [-2.45820327e-04 -1.70875352e-05 -1.70875352e-05 -1.43111682e-16 -5.98577011e-15 -2.15529152e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.90382508e-04 1.32367902e-03 -4.90382508e-04] [ 4.90382508e-04 -1.32367902e-03 -4.90382508e-04] [ 4.90382507e-04 1.32367902e-03 4.90382507e-04] [-4.90382507e-04 -1.32367902e-03 4.90382507e-04] [ 4.90382508e-04 -1.32367902e-03 4.90382508e-04] [-4.90382508e-04 1.32367902e-03 4.90382508e-04] [-4.90382507e-04 -1.32367902e-03 -4.90382507e-04] [ 4.90382507e-04 1.32367902e-03 -4.90382507e-04] [ 9.96164956e-15 5.73597159e-15 1.65500751e-14] [ 2.62376926e-16 -2.21281327e-14 -5.05238212e-16] [ 1.13607040e-14 -8.60422844e-16 -2.05087683e-15] [-2.31759056e-15 -1.41345269e-14 1.10571274e-14]] Final stress: [-1.70875352e-05 -2.45820327e-04 -1.70875352e-05 -2.17641159e-15 -9.84418637e-17 -5.95197219e-15] Minimization converged after 2 steps. The following exception was caught during minimization: RuntimeError('LineSearch failed!') Minimization stalled after 2 steps. Final forces: [[-4.90382588e-04 -4.90382588e-04 1.32367894e-03] [ 4.90382586e-04 4.90382587e-04 1.32367894e-03] [ 4.90382587e-04 -4.90382587e-04 -1.32367894e-03] [-4.90382588e-04 4.90382588e-04 -1.32367894e-03] [ 4.90382588e-04 4.90382588e-04 -1.32367894e-03] [-4.90382586e-04 -4.90382587e-04 -1.32367894e-03] [-4.90382587e-04 4.90382587e-04 1.32367894e-03] [ 4.90382588e-04 -4.90382588e-04 1.32367894e-03] [ 1.34280607e-14 1.35130080e-14 -2.30794659e-14] [ 3.77432460e-15 5.89979454e-15 -1.38777878e-16] [ 1.75085640e-14 -1.70176373e-15 -8.09075029e-15] [-1.38127357e-15 -6.54424431e-16 -1.29479760e-14]] Final stress: [-1.70875361e-05 -1.70875361e-05 -2.45820327e-04 -8.80357327e-15 -6.35023637e-16 4.89126891e-16] 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 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 2 steps. Minimization converged after 7 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 1 steps. Minimization converged after 4 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 1 steps. Minimization converged after 6 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 2 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 3 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. Minimization converged after 1 steps. 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]: [[ 0.05352 0.00606 0.00606 -0. 0. 0. ] [ 0.00606 0.05352 0.00606 0. 0. 0. ] [ 0.00606 0.00606 0.05352 0. 0. 0. ] [-0. 0. 0. 0. -0. -0. ] [ 0. 0. 0. -0. 0. -0. ] [ 0. 0. 0. -0. -0. 0. ]] 95%% Error estimate [ASE units]: [[0.06869 0.00854 0.00854 0. 0. 0. ] [0.00854 0.06869 0.00854 0. 0. 0. ] [0.00854 0.00854 0.06869 0. 0. 0. ] [0. 0. 0. 0.00001 0. 0. ] [0. 0. 0. 0. 0.00001 0. ] [0. 0. 0. 0. 0. 0.00001]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.034347 is too big compared to maximum elastic constant component 0.053518 [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. Using the following run with the lowest errors: 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]: [[ 0. 0. 0. -0. -0. -0.] [ 0. 0. 0. -0. -0. -0.] [ 0. 0. 0. 0. -0. 0.] [-0. -0. 0. 0. 0. 0.] [-0. -0. -0. 0. 0. -0.] [-0. -0. 0. 0. -0. 0.]] 95%% Error estimate [ASE units]: [[0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.] [0. 0. 0. 0. 0. 0.]] WARNING: Maximum standard error estimate (1/2 of the error given by numdifftools) 0.000000 is too big compared to maximum elastic constant component 0.000002 [ASE units] and requested fractional tolerance 0.010000. Maximum deviation from material symmetry [ASE units]: 0.000000 WARNING: Maximum deviation from material symmetry according to space group 205 is too big compared to maximum elastic constant component 0.000002 [ASE units] and requested fractional tolerance 0.010000. R E S U L T S Elastic constants [GPa]: [[ 0.00028 0.00028 0.00029 -0. -0. -0. ] [ 0.00028 0.00028 0.00029 -0. -0. -0. ] [ 0.00029 0.00029 0.00029 0. -0. 0. ] [-0. -0. 0. 0.00026 0. 0. ] [-0. -0. -0. 0. 0.00026 -0. ] [-0. -0. 0. 0. -0. 0.00026]] 95 %% Error estimate [GPa]: [[0.00001 0.00002 0.00001 0. 0. 0. ] [0.00002 0.00003 0.00002 0. 0. 0. ] [0.00001 0.00002 0.00001 0. 0. 0. ] [0. 0. 0. 0.00001 0. 0. ] [0. 0. 0. 0. 0.00001 0. ] [0. 0. 0. 0. 0. 0.00001]] Maximum deviation from material symmetry [GPa] = 0.00001 Bulk modulus [GPa] = -0.00104 Unique elastic constants for space group 205 [GPa] ['c11', 'c12', 'c44'] [0.0002808649547174837, 0.00028192419458374914, 0.00026161707100558033] WARNING: Nearest isotropic state not computed.