Model name? LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Stoichiometric species (literal list of strings)? ['B', 'H'] Prototype label? A2B5_mP56_14_4e_10e Temperature (K)? No temperature given Cauchy stress (literal list of floats, Voigt order xx,yy,zz,yz,xz,xy, eV/A^3)? No stress given Query result (literal list of dicts)? [{'instance-id': 2, 'a.si-value': 4.315000000000001e-10, 'parameter-names.source-value': ['b/a', 'c/a', 'beta', 'x1', 'y1', 'z1', 'x2', 'y2', 'z2', 'x3', 'y3', 'z3', 'x4', 'y4', 'z4', 'x5', 'y5', 'z5', 'x6', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10', 'x11', 'y11', 'z11', 'x12', 'y12', 'z12', 'x13', 'y13', 'z13', 'x14', 'y14', 'z14'], 'parameter-values.source-value': [1.4370568, 0.69559676, 135.3725, 0.77729576, 0.53113004, 0.37664445, 0.33127125, 0.30022997, 0.12047353, 0.87918816, 0.21213114, 0.89086533, 0.63257854, 0.41987973, 0.77288991, 0.6739018, 0.37456865, 0.44844891, 0.098321605, 0.47178191, 0.011831624, 0.023012135, 0.41511818, 0.79203639, 0.98290896, 0.36597281, 0.15999346, 0.035111269, 0.37985548, 0.99914848, 0.86296607, 0.37257395, 0.71144974, 0.15814129, 0.33798491, 0.26807865, 0.90535428, 0.45936249, 0.83225741, 0.21375917, 0.4254077, 0.25675468, 0.021849475, 0.45148328, 0.11650764], 'meta.uuid': 'TE_485207544204_002-and-MO_959249795837_003-1711124883-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['B', 'B', 'B', 'B', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'H'] representative atom coordinates = [[2.2270424e-01 5.3113004e-01 6.2335555e-01] [6.6872875e-01 3.0022997e-01 8.7952647e-01] [1.2081184e-01 2.1213114e-01 1.0913467e-01] [3.6742146e-01 4.1987973e-01 2.2711009e-01] [3.2609820e-01 3.7456865e-01 5.5155109e-01] [9.0167840e-01 4.7178191e-01 9.8816838e-01] [9.7698787e-01 4.1511818e-01 2.0796361e-01] [1.7091040e-02 3.6597281e-01 8.4000654e-01] [9.6488873e-01 3.7985548e-01 8.5152000e-04] [1.3703393e-01 3.7257395e-01 2.8855026e-01] [8.4185871e-01 3.3798491e-01 7.3192135e-01] [9.4645720e-02 4.5936249e-01 1.6774259e-01] [7.8624083e-01 4.2540770e-01 7.4324532e-01] [9.7815052e-01 4.5148328e-01 8.8349236e-01]] spacegroup = 14 cell = [[4.315, 0, 0], [0, 6.2009, 0], [-2.1361343975862, 0, 2.1085379023031]] ========================================= 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 103 steps. Minimization converged after 159 steps. Minimization converged after 134 steps. Minimization converged after 112 steps. Minimization converged after 77 steps. Minimization converged after 168 steps. Minimization converged after 87 steps. Minimization converged after 82 steps. Minimization converged after 65 steps. Minimization converged after 84 steps. Minimization converged after 90 steps. Minimization converged after 130 steps. Minimization converged after 102 steps. Minimization converged after 64 steps. Minimization converged after 98 steps. Minimization converged after 87 steps. Minimization converged after 87 steps. Minimization converged after 73 steps. Minimization converged after 84 steps. Minimization converged after 162 steps. Minimization converged after 117 steps. Minimization converged after 191 steps. Minimization converged after 102 steps. Minimization converged after 99 steps. Minimization converged after 91 steps. Minimization converged after 174 steps. Minimization converged after 78 steps. Minimization converged after 154 steps. Minimization converged after 136 steps. Minimization converged after 116 steps. Minimization converged after 96 steps. Minimization converged after 89 steps. Minimization converged after 104 steps. Minimization converged after 88 steps. Minimization converged after 80 steps. Minimization converged after 111 steps. Minimization converged after 103 steps. Minimization converged after 87 steps. Minimization converged after 129 steps. Minimization converged after 102 steps. Minimization converged after 130 steps. Minimization converged after 85 steps. Minimization converged after 127 steps. Minimization converged after 162 steps. Minimization converged after 90 steps. Minimization converged after 106 steps. Minimization converged after 94 steps. Minimization converged after 116 steps. Minimization converged after 94 steps. Minimization converged after 114 steps. Minimization converged after 163 steps. Minimization converged after 122 steps. Minimization converged after 101 steps. Minimization converged after 91 steps. Minimization converged after 97 steps. Minimization converged after 130 steps. Minimization converged after 87 steps. Minimization converged after 105 steps. Minimization converged after 140 steps. Minimization converged after 94 steps. Minimization converged after 153 steps. Minimization converged after 89 steps. Minimization converged after 185 steps. Minimization converged after 125 steps. Minimization converged after 88 steps. Minimization converged after 91 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 1.80339111e-06 -8.00758789e-07 -1.04050771e-06] [ 1.31530810e-06 6.59001182e-07 -2.76857157e-07] [-1.96996628e-06 2.99460362e-06 5.39223160e-07] [-3.99077744e-07 3.62920710e-07 3.86447807e-06] [ 2.95677925e-07 -2.62756317e-07 -1.07699660e-06] [ 6.63389612e-09 5.84318176e-07 -1.19395027e-07] [ 8.55643617e-07 6.11875261e-07 -1.46037050e-07] [ 6.30098817e-07 3.97479296e-07 1.09145487e-06] [ 6.17016486e-07 8.97068790e-07 -1.20543999e-06] [-3.51831408e-06 -2.13471699e-06 7.69088544e-07] [ 9.23988402e-07 -2.68760995e-06 2.05412297e-07] [-1.00468995e-06 -4.43576237e-06 8.61675353e-07] [ 3.33224207e-07 2.04661535e-07 -6.67935512e-08] [-1.24113734e-06 -1.36021265e-06 -8.87534079e-07] [ 2.92012328e-06 -2.12261043e-06 6.45264747e-07] [-3.07520261e-06 -7.23401520e-08 -2.45588256e-07] [-5.43988603e-07 5.24203517e-07 -1.09816553e-06] [-1.33086655e-06 -1.96065314e-07 -1.03775853e-06] [ 2.58095971e-07 -3.76234127e-07 -5.74690481e-07] [ 4.51416633e-07 -1.79735799e-07 -2.22915784e-07] [-4.43970036e-06 9.36966220e-06 2.06409140e-06] [ 2.30567268e-07 -1.21922613e-06 4.37521491e-07] [ 3.51639301e-06 -2.85351807e-06 1.50512285e-06] [ 2.90023429e-06 -9.88498682e-07 1.53867434e-06] [ 2.92114551e-07 -2.64067742e-07 1.46297752e-06] [-1.33839320e-07 -3.58652672e-07 -6.94424308e-07] [-3.96856389e-07 2.48720338e-07 -8.34928675e-07] [-1.44672443e-06 -2.59553752e-07 5.90657076e-08] [ 4.45607317e-06 -3.72337846e-06 1.02912560e-06] [-1.20223938e-06 -1.38795330e-06 -7.38879837e-07] [ 3.17032462e-06 1.08286710e-06 7.42593483e-07] [-2.74373879e-06 5.92176371e-07 -1.75117721e-08] [ 2.62563802e-06 5.28896491e-07 3.22661230e-06] [-1.14229176e-06 5.35341903e-06 5.86032864e-06] [-3.15631120e-07 -2.34511721e-07 3.24450456e-07] [ 3.31077047e-07 -3.27620252e-06 1.80746934e-06] [ 1.80203158e-07 -8.48908778e-07 -1.09003561e-06] [ 4.24043587e-07 3.20774567e-06 -4.94425303e-08] [-1.11732953e-09 -1.27624771e-06 1.99916391e-06] [ 1.77715291e-06 3.04510335e-06 -3.29474278e-07] [-2.60290408e-06 -1.31150228e-06 -1.40413396e-06] [ 1.47333295e-06 1.66228659e-06 -3.21514158e-07] [-1.50008026e-06 -3.67040784e-06 -2.01099109e-06] [ 2.76242604e-06 2.89808062e-06 -4.39434686e-07] [ 4.91302282e-07 6.52682922e-07 6.36821034e-08] [ 1.26243243e-08 3.74019952e-07 1.63895441e-06] [-4.15645163e-06 4.68561576e-06 -2.11226034e-06] [ 1.73855520e-06 -1.52851483e-06 -3.06758645e-06] [-3.06232990e-07 -1.86150951e-06 -3.59610933e-06] [-4.64392707e-07 -3.29968207e-06 7.22065465e-07] [-3.50720743e-06 2.75772886e-06 9.19126802e-07] [-5.06818498e-07 -1.32902848e-06 -1.37725767e-06] [ 1.11508877e-06 1.25028863e-07 5.68279477e-07] [ 4.30825454e-06 -9.35920110e-07 -6.38932312e-06] [-7.56727661e-07 -1.47626580e-06 -1.59219748e-06] [-3.50982690e-06 2.91218708e-06 1.18282612e-07]] Final stress: [-4.37575678e-02 1.16047606e-02 6.68095732e-02 4.46806799e-08 4.75627644e-02 3.70804808e-09] Minimization converged after 129 steps. Minimization converged after 145 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-2.00004624e-06 -5.28195070e-07 -2.18027507e-07] [ 2.64809380e-06 -5.97166580e-08 -1.02725827e-06] [ 2.87140407e-06 -9.49655023e-07 -6.54509937e-07] [-9.64362164e-07 1.12256853e-06 1.34938452e-06] [ 3.69940961e-08 -9.73879795e-07 -9.48496043e-07] [ 2.12156411e-07 -3.86854441e-07 -4.29580651e-07] [ 1.54942546e-06 -8.95050947e-07 8.68963001e-07] [-1.11551346e-06 1.94402833e-06 6.72833336e-07] [ 3.80403653e-06 1.61053792e-06 -1.18838075e-06] [ 3.71264725e-07 3.83281356e-07 -2.82337131e-06] [-7.82041183e-07 -2.66771381e-06 -1.27443000e-07] [-1.27447923e-06 9.93862245e-07 2.91345009e-06] [-4.39532692e-06 -2.45042569e-06 -2.22079927e-06] [-1.73729217e-07 -2.06621088e-06 1.56883191e-06] [ 1.75626352e-06 1.05637450e-06 9.55174026e-07] [ 1.25300121e-06 2.37947882e-06 -1.50730267e-06] [-1.86828119e-07 -2.47650874e-07 -5.92014446e-07] [-3.06160891e-06 -9.06580800e-07 -2.61005104e-06] [-1.96361682e-06 8.23836804e-07 -1.99961276e-06] [ 8.38792554e-07 9.58900520e-07 2.93025007e-06] [-3.34889204e-06 2.10345851e-06 -1.25063476e-05] [-2.63538995e-06 -4.50220400e-06 -4.16454723e-06] [-2.02164411e-06 1.24367246e-06 4.16025555e-06] [-1.44615034e-06 -5.11764519e-07 5.46920737e-07] [-3.98547620e-06 -3.72946549e-07 3.34829483e-06] [-1.44855477e-06 1.25645020e-06 1.03561184e-06] [ 1.53532206e-06 3.71111730e-07 -9.02021563e-07] [-5.29868395e-09 -1.33483088e-06 1.63360412e-07] [ 1.60170701e-06 1.36624652e-06 1.96869926e-06] [-4.12003887e-06 1.66727717e-06 -9.56565936e-07] [ 2.88499211e-06 3.94688974e-06 1.94177000e-06] [-2.22443498e-06 8.46028662e-07 -1.33127807e-06] [ 7.63555298e-07 9.17379437e-07 -2.13025945e-06] [ 1.81905746e-06 -2.16766086e-06 -4.39009404e-06] [ 2.38189435e-06 3.47827897e-06 1.28400488e-06] [ 1.98597791e-06 1.50145157e-06 -2.90662026e-06] [ 3.98378609e-06 -4.39813125e-06 2.15402299e-06] [ 2.14410241e-06 1.43411198e-06 5.64425331e-06] [-9.33382137e-07 1.76362607e-06 9.21183024e-07] [-1.26545154e-06 -8.86048210e-08 -2.73676483e-06] [-4.14742766e-06 3.69258345e-07 2.19062000e-06] [ 4.06100250e-06 5.64582952e-07 2.97037119e-06] [-3.35783283e-06 -5.63776550e-07 -4.28251721e-06] [ 3.07680439e-06 -1.13214888e-06 2.27957112e-06] [ 4.82787482e-06 5.18477420e-06 5.09489753e-07] [ 3.31509471e-06 -1.94163197e-06 3.28517926e-07] [-1.15454148e-08 -5.37625063e-06 1.64313878e-06] [-1.36154538e-06 2.76218368e-06 8.18369903e-07] [-3.06308743e-07 1.40903184e-06 4.56101310e-06] [-9.38170358e-07 -2.27722143e-06 -9.85547419e-07] [ 5.02857042e-07 -1.89661108e-06 -2.54530694e-06] [-1.27608014e-06 -2.95592184e-07 1.69844306e-06] [-1.46215168e-06 5.93814001e-07 1.60393384e-07] [-1.11770117e-06 9.24643572e-07 1.01602197e-06] [ 3.00095292e-06 -8.47709863e-06 2.06814145e-06] [ 1.04615898e-07 2.49126748e-06 1.51336267e-06]] Final stress: [-0.03809926 0.00800913 0.05527915 -0.0012332 0.05476853 0.0060393 ] Minimization converged after 117 steps. Minimization converged after 144 steps. Minimization converged after 103 steps. Minimization converged after 81 steps. Minimization converged after 158 steps. Minimization converged after 172 steps. Minimization converged after 77 steps. Minimization converged after 131 steps. Minimization converged after 77 steps. Minimization converged after 98 steps. Minimization converged after 125 steps. Minimization converged after 161 steps. Minimization converged after 102 steps. Minimization converged after 100 steps. Minimization converged after 147 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 2.07260270e-06 -2.50265366e-06 -2.87102841e-06] [-4.59405831e-06 -6.22584801e-07 -7.11001399e-07] [ 5.66550182e-07 8.98250955e-07 4.21100830e-07] [ 1.93925854e-06 1.66500375e-07 1.90887562e-06] [-1.25220855e-06 1.26485609e-06 4.63250618e-07] [-9.34719964e-07 1.51004651e-07 1.38328530e-06] [ 9.20477335e-07 3.20270596e-07 8.74206351e-07] [ 2.15959538e-06 1.15087569e-06 7.62530114e-07] [ 3.49305300e-07 -2.30523672e-06 -5.72657318e-07] [ 1.45638130e-06 3.74364375e-07 -5.40489778e-09] [-1.39920552e-06 1.27334196e-06 1.03087754e-06] [-1.08041361e-06 -5.52442906e-07 -8.19689167e-07] [ 8.17202777e-07 -9.64804958e-07 6.44540148e-08] [-1.93828450e-06 5.38066900e-07 -2.64236660e-06] [-1.46308988e-06 -7.76327881e-07 -4.74288292e-08] [ 2.50490707e-06 -1.33355443e-06 -8.24165351e-07] [ 2.23913374e-07 6.92101326e-07 -4.66583758e-07] [ 1.12716167e-06 2.79780054e-07 5.26054028e-07] [-1.19897212e-06 -2.40325274e-07 -9.20549960e-07] [ 2.92549908e-08 -1.76118469e-08 2.76949964e-07] [ 4.36853212e-07 -4.32448488e-06 -3.36507723e-06] [ 2.26553504e-06 1.30416038e-06 -1.95313129e-06] [-5.64490101e-06 -4.97009458e-06 -7.51720514e-06] [-1.61865400e-06 9.82956456e-07 -2.91515465e-06] [ 3.27553480e-06 -1.20517737e-06 4.71360640e-07] [-6.01665663e-07 1.06533797e-06 1.07249148e-06] [-5.25021441e-07 -3.84112630e-07 -9.95840867e-07] [-2.35066930e-06 -1.04785990e-06 1.86118143e-07] [-2.34228430e-08 3.32144690e-06 1.26038146e-06] [-8.93253796e-07 -1.21484477e-06 -2.78935197e-08] [-3.95741107e-06 2.78142514e-06 -5.54552269e-07] [ 1.57969848e-06 3.01061437e-07 1.22593994e-06] [-1.72993922e-06 1.00559372e-06 1.61846048e-06] [-8.03419213e-07 -9.44275843e-07 1.21924175e-06] [ 9.10997442e-07 3.17325149e-06 -2.25617971e-06] [ 6.14656992e-07 2.15187772e-06 2.95456990e-06] [-2.87134608e-06 5.07053258e-06 -7.11378705e-07] [ 3.02290900e-07 -4.13836695e-07 -1.16061592e-06] [ 3.96698238e-07 -5.33544115e-06 2.80118086e-06] [ 9.11647376e-07 1.15018863e-06 -9.13396804e-07] [ 6.43661974e-07 -4.17560166e-06 -1.54978259e-06] [ 6.55256813e-07 -6.15583645e-07 -6.17447160e-07] [ 2.94490218e-06 -1.58482202e-07 1.29144298e-06] [-7.33102925e-07 1.55332763e-06 -1.91320646e-06] [-8.39105414e-07 9.43552938e-07 3.30034953e-06] [-2.78010721e-06 -1.93598624e-06 -1.95471269e-06] [ 2.35549081e-06 8.00959256e-06 -1.71852883e-06] [ 2.04784282e-06 -1.21375842e-06 -1.93359587e-06] [-1.68408801e-06 4.97369679e-06 3.27994272e-06] [ 1.58017330e-06 -8.86169276e-07 2.08717301e-06] [-1.87902273e-06 3.46163853e-06 6.40461083e-06] [ 6.14025779e-08 -1.95656103e-06 1.54642053e-06] [ 3.48828149e-06 -3.96340487e-06 -1.00995130e-06] [-2.07998154e-07 1.09121083e-06 -1.75688101e-06] [ 3.21937449e-06 -6.75006307e-06 2.27418219e-06] [ 1.14717108e-06 1.36101606e-06 3.99995682e-06]] Final stress: [-0.04601043 -0.0030814 0.0397157 0.00877236 0.06021493 -0.00076088] Minimization converged after 83 steps. Minimization converged after 90 steps. Minimization converged after 101 steps. Minimization converged after 90 steps. Minimization converged after 100 steps. Minimization converged after 114 steps. Minimization converged after 138 steps. Minimization converged after 84 steps. Minimization converged after 93 steps. Minimization converged after 152 steps. Minimization converged after 121 steps. Minimization converged after 80 steps. Minimization converged after 169 steps. Minimization converged after 108 steps. Minimization converged after 174 steps. Minimization converged after 119 steps. Minimization converged after 98 steps. Minimization converged after 96 steps. Minimization converged after 94 steps. Minimization converged after 71 steps. Minimization converged after 92 steps. Minimization converged after 99 steps. Minimization converged after 84 steps. Minimization converged after 107 steps. Minimization converged after 166 steps. Minimization converged after 104 steps. Minimization converged after 108 steps. Minimization converged after 165 steps. Minimization converged after 161 steps. Minimization converged after 80 steps. Minimization converged after 86 steps. Minimization converged after 92 steps. Minimization converged after 154 steps. Minimization converged after 149 steps. Minimization converged after 112 steps. Minimization converged after 89 steps. Minimization converged after 93 steps. Minimization converged after 74 steps. Minimization converged after 133 steps. Minimization converged after 127 steps. Minimization converged after 104 steps. Minimization converged after 119 steps. Minimization converged after 101 steps. Minimization converged after 75 steps. Minimization converged after 139 steps. Minimization converged after 98 steps. Minimization converged after 90 steps. Minimization converged after 89 steps. Minimization converged after 80 steps. Minimization converged after 109 steps. Minimization converged after 78 steps. Minimization converged after 153 steps. Minimization converged after 101 steps. Minimization converged after 104 steps. Minimization converged after 92 steps. Minimization converged after 119 steps. Minimization converged after 166 steps. Minimization converged after 83 steps. Minimization converged after 169 steps. Minimization converged after 105 steps. Minimization converged after 179 steps. Minimization converged after 91 steps. Minimization converged after 100 steps. Minimization converged after 98 steps. Minimization converged after 133 steps. Minimization converged after 87 steps. Minimization converged after 157 steps. Minimization converged after 59 steps. Minimization converged after 110 steps. Minimization converged after 155 steps. Minimization converged after 70 steps. Minimization converged after 123 steps. Minimization converged after 101 steps. Minimization converged after 76 steps. Minimization converged after 104 steps. Minimization converged after 160 steps. Minimization converged after 135 steps. Minimization converged after 62 steps. Minimization converged after 119 steps. Minimization converged after 98 steps. Minimization converged after 91 steps. Minimization converged after 109 steps. Minimization converged after 93 steps. Minimization converged after 118 steps. Minimization converged after 81 steps. Minimization converged after 101 steps. Minimization converged after 167 steps. Minimization converged after 93 steps. Minimization converged after 94 steps. Minimization converged after 91 steps. Minimization converged after 104 steps. Minimization converged after 160 steps. Minimization converged after 116 steps. Minimization converged after 102 steps. Minimization converged after 168 steps. Minimization converged after 97 steps. Minimization converged after 180 steps. Minimization converged after 82 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-4.85154591e-07 -1.91295842e-06 1.41258427e-06] [ 1.49724837e-06 -2.60185057e-06 4.95079080e-07] [ 3.77280203e-06 2.48531086e-06 1.58057114e-06] [-2.17218144e-07 8.27862406e-07 -3.95183320e-06] [-2.60721167e-06 -1.88448330e-06 1.61041667e-06] [-3.30564246e-07 -1.71153674e-07 5.16809730e-07] [ 1.31724082e-06 -6.35607249e-07 -2.51188030e-06] [ 1.60196079e-06 -1.19076730e-07 -1.63815957e-07] [ 1.62385078e-06 -3.36388851e-07 1.82006852e-06] [-3.29615184e-07 -6.75171230e-06 4.60160350e-07] [-2.21234424e-06 1.13223274e-05 -1.54369993e-06] [ 1.40881121e-06 5.17086912e-06 -1.12695901e-06] [-4.07941378e-06 2.96594215e-06 -2.97692826e-06] [-2.58268216e-06 -1.20488407e-06 2.59410886e-06] [-4.03115644e-06 -1.75812518e-06 -6.14111597e-07] [-2.65398648e-07 1.07118924e-06 -1.38459820e-06] [-3.57582836e-06 -4.55836649e-08 -1.51355304e-06] [ 3.83375949e-07 -2.94851270e-07 3.69283085e-07] [ 2.39705854e-06 3.95990062e-07 3.46561993e-07] [-4.86834326e-07 -1.45850837e-07 -1.28599646e-06] [-2.05007314e-06 1.22395875e-06 -4.39770624e-07] [ 3.01346110e-06 -2.86133844e-06 -5.58093784e-08] [ 1.81113125e-06 3.43806105e-07 -2.24205651e-06] [ 4.55985076e-06 -4.59596416e-06 2.03092886e-07] [-2.56452566e-06 1.42987277e-06 -4.47682626e-06] [-1.26131191e-06 -6.45461448e-07 -1.49298279e-06] [-3.71487580e-06 1.83400147e-06 1.55657638e-06] [ 1.42002022e-06 1.55859859e-06 2.85167420e-06] [-1.50670830e-06 -9.55336607e-07 -8.80990944e-07] [ 3.64022976e-06 1.48369515e-06 2.85073088e-06] [-7.80841344e-07 1.90947852e-06 2.10706544e-06] [ 2.85185535e-06 -3.53856365e-06 1.59908421e-06] [-4.43101050e-06 -1.69052974e-06 4.62574308e-06] [ 5.54775576e-07 9.35768968e-07 -1.47303077e-06] [ 1.10697724e-06 -1.04958095e-05 -4.22522375e-06] [ 4.33830289e-07 -3.05445076e-06 1.24524844e-06] [ 3.99821534e-06 -6.46196782e-06 7.32765232e-06] [ 3.02543090e-06 -2.01694678e-06 -2.18752059e-06] [ 2.78702210e-06 -7.24205094e-06 8.26629829e-07] [-8.56529948e-07 -3.59449925e-06 -6.79815587e-07] [ 5.14991890e-06 -4.14837939e-06 -3.34890574e-06] [-4.91711751e-06 7.76894016e-08 1.06790422e-06] [-6.68468465e-07 2.75573126e-07 2.63659161e-06] [-4.28027275e-06 2.03581765e-06 -3.33387159e-06] [ 4.03605404e-06 4.64362943e-06 2.74617747e-06] [ 6.55837287e-07 7.71253027e-06 3.44345326e-06] [ 1.55575211e-07 6.76477536e-06 3.02002726e-06] [-1.08992127e-06 1.88265020e-06 4.24847951e-06] [-1.48711208e-06 4.29009844e-06 3.99884723e-07] [ 2.78054488e-06 -3.44384425e-07 5.61948176e-07] [-1.29445267e-06 1.97829610e-06 4.47911113e-06] [-1.88703418e-06 1.57967641e-06 1.06123672e-06] [ 3.20906666e-06 5.98139773e-07 -4.32129068e-06] [-6.27199311e-06 1.71346764e-06 -2.29933257e-06] [ 3.39176063e-06 -2.38459500e-06 -7.73422017e-06] [-2.31823539e-06 3.38178856e-06 -3.79893158e-06]] Final stress: [-0.03713644 -0.00330756 0.04065815 0.00047874 0.06267868 -0.00235701] Minimization converged after 92 steps. Minimization converged after 122 steps. Minimization converged after 101 steps. Minimization converged after 96 steps. Minimization converged after 137 steps. Minimization converged after 108 steps. Minimization converged after 88 steps. Minimization converged after 104 steps. Minimization converged after 101 steps. Minimization converged after 70 steps. Minimization converged after 95 steps. Minimization converged after 85 steps. Minimization converged after 141 steps. Minimization converged after 99 steps. Minimization converged after 140 steps. Minimization converged after 140 steps. Minimization converged after 99 steps. Minimization converged after 77 steps. Minimization converged after 83 steps. Minimization converged after 88 steps. Minimization converged after 138 steps. Minimization converged after 98 steps. Minimization converged after 85 steps. Minimization converged after 78 steps. Minimization converged after 85 steps. Minimization converged after 130 steps. Minimization converged after 93 steps. Minimization converged after 104 steps. Minimization converged after 137 steps. Minimization converged after 142 steps. Minimization converged after 112 steps. Minimization converged after 118 steps. Minimization converged after 88 steps. Minimization converged after 100 steps. Minimization converged after 97 steps. Minimization converged after 112 steps. Minimization converged after 98 steps. Minimization converged after 94 steps. Minimization converged after 100 steps. Minimization converged after 94 steps. Minimization converged after 85 steps. Minimization converged after 97 steps. Minimization converged after 197 steps. Minimization converged after 165 steps. Minimization converged after 97 steps. Minimization converged after 97 steps. Minimization converged after 131 steps. Minimization converged after 73 steps. Minimization converged after 140 steps. Minimization converged after 91 steps. Minimization converged after 82 steps. Minimization converged after 81 steps. Minimization converged after 119 steps. Minimization converged after 85 steps. Minimization converged after 116 steps. Minimization converged after 124 steps. Minimization converged after 77 steps. Minimization converged after 91 steps. Minimization converged after 81 steps. Minimization converged after 178 steps. Minimization converged after 155 steps. Minimization converged after 137 steps. Minimization converged after 148 steps. Minimization converged after 87 steps. Minimization converged after 174 steps. Minimization converged after 108 steps. Minimization converged after 87 steps. Minimization converged after 88 steps. Minimization converged after 141 steps. Minimization converged after 131 steps. Minimization converged after 143 steps. Minimization converged after 141 steps. Minimization converged after 80 steps. Minimization converged after 97 steps. Minimization converged after 87 steps. Minimization converged after 84 steps. Minimization converged after 153 steps. Minimization converged after 87 steps. Minimization converged after 91 steps. Minimization converged after 171 steps. Minimization converged after 121 steps. Minimization converged after 81 steps. Minimization converged after 96 steps. Minimization converged after 186 steps. Minimization converged after 87 steps. Minimization converged after 103 steps. Minimization converged after 162 steps. Minimization converged after 100 steps. Minimization converged after 123 steps. Minimization converged after 91 steps. Minimization converged after 125 steps. Minimization converged after 93 steps. Minimization converged after 104 steps. Minimization converged after 127 steps. Minimization converged after 104 steps. Minimization converged after 124 steps. Minimization converged after 102 steps. Minimization converged after 77 steps. Minimization converged after 98 steps. Minimization converged after 78 steps. Minimization converged after 83 steps. Minimization converged after 119 steps. Minimization converged after 124 steps. Minimization converged after 122 steps. Minimization converged after 76 steps. Minimization converged after 83 steps. Minimization converged after 152 steps. Minimization converged after 100 steps. Minimization converged after 80 steps. Minimization converged after 106 steps. Minimization converged after 93 steps. Minimization converged after 153 steps. Minimization converged after 166 steps. Minimization converged after 139 steps. Minimization converged after 111 steps. Minimization converged after 109 steps. Minimization converged after 155 steps. Minimization converged after 119 steps. Minimization converged after 134 steps. Minimization converged after 95 steps. Minimization converged after 95 steps. Minimization converged after 96 steps. Minimization converged after 170 steps. Minimization converged after 144 steps. Minimization converged after 136 steps. Minimization converged after 96 steps. Minimization converged after 115 steps. Minimization converged after 87 steps. Minimization converged after 139 steps. Minimization converged after 115 steps. Minimization converged after 105 steps. Minimization converged after 113 steps. Minimization converged after 122 steps. Minimization converged after 159 steps. Minimization converged after 135 steps. Minimization converged after 72 steps. Minimization converged after 81 steps. Minimization converged after 111 steps. Minimization converged after 98 steps. Minimization converged after 85 steps. Minimization converged after 101 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-2.21767556e-06 1.15635434e-06 4.80425494e-06] [-7.71619119e-07 1.55575507e-06 1.12949886e-06] [-4.09030272e-06 -1.15024008e-06 7.11842379e-07] [ 6.68700534e-06 -8.53799778e-07 -5.60167324e-06] [ 2.09873419e-06 3.15198992e-07 -8.08588532e-07] [-1.39837288e-06 2.42182133e-06 3.61275043e-06] [ 3.44350487e-07 -7.86381377e-08 -2.46343319e-06] [-3.97545883e-06 -4.12302768e-07 3.83562490e-06] [-4.46781110e-07 4.08917843e-06 -1.65087043e-06] [ 1.40984262e-06 3.02412655e-06 -1.17868335e-06] [-3.78806344e-06 3.39107880e-06 -1.43301244e-06] [-1.17406495e-06 -2.46688431e-06 3.04199059e-06] [-3.67235845e-07 -2.29845240e-07 -2.60472335e-06] [-6.67197001e-07 -2.19387681e-06 6.31018519e-07] [ 1.53903016e-06 2.03516398e-06 3.08505226e-06] [ 3.31741655e-06 5.41122946e-06 4.33559004e-06] [ 1.99022734e-06 3.55080219e-07 2.26426405e-06] [ 1.34387968e-06 -5.35949476e-07 -1.36385916e-06] [ 1.25837532e-06 -8.05152160e-07 3.10380090e-06] [-2.17765780e-06 -1.38965609e-06 -2.80558645e-06] [-1.44176011e-06 -3.63394803e-06 4.87650206e-06] [-3.44997006e-06 5.02104317e-06 -7.83612471e-06] [-2.08036835e-06 1.16394533e-06 1.51699326e-05] [-3.15410661e-06 -3.19365978e-06 1.04014598e-07] [ 2.42328541e-06 1.57084099e-06 -6.84760987e-06] [ 2.36092362e-06 -9.60355849e-07 -3.68717929e-06] [-3.15671591e-06 5.47956390e-06 -7.68125391e-06] [-8.13327454e-07 3.68722356e-07 -6.49030692e-07] [ 2.21270500e-06 -5.27450827e-06 3.11048205e-07] [ 7.08645289e-07 -7.99582257e-07 8.86163044e-07] [-8.67510227e-07 6.62248071e-06 1.55578372e-06] [-4.40101728e-06 -1.64180100e-07 -3.16906885e-06] [-6.96426212e-06 -8.06871377e-06 1.26253191e-05] [-6.31312647e-07 -2.63316611e-06 9.93653125e-06] [-2.01019700e-06 -6.37610428e-06 1.33536637e-05] [-5.16620762e-07 3.49490073e-06 2.27976968e-06] [-1.22091256e-07 2.77562258e-06 -9.37663401e-06] [-7.66433156e-07 2.08566468e-07 -2.13514684e-06] [ 2.84755657e-06 -5.29560569e-06 -5.82249075e-06] [ 2.63399419e-06 -7.73249616e-07 -4.58106271e-07] [-2.18971740e-06 3.75322905e-06 -7.01876378e-07] [-7.81467874e-07 3.56566449e-06 -3.93689383e-06] [-3.73842212e-06 8.47322974e-07 -3.71155742e-06] [ 4.00111368e-06 -8.34183521e-06 2.03860982e-06] [ 1.08386649e-06 -1.10938166e-06 8.86310393e-07] [-1.91424436e-06 -7.85686322e-06 -3.82902310e-06] [-1.98269572e-06 4.76694632e-07 -3.06235471e-06] [-4.13037687e-06 -1.06443020e-06 5.00648278e-06] [ 2.31635419e-06 -5.02425894e-06 -2.46248941e-06] [-3.97422660e-06 -5.34339054e-06 1.03635259e-05] [ 2.66548086e-06 -5.33695548e-06 -8.17885623e-06] [ 4.43213616e-06 3.60621515e-06 1.58729148e-06] [ 3.69877316e-06 1.33069920e-05 -7.42795942e-06] [ 2.87582144e-06 3.41643083e-06 -1.08177336e-06] [ 1.04899371e-05 -2.82343156e-06 -4.86364125e-06] [ 5.42181842e-06 4.75674302e-06 -4.70713569e-06]] Final stress: [-0.0306306 0.00741753 0.04496873 0.00018587 0.0616976 -0.00092144] Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 121 steps. Minimization converged after 116 steps. Minimization converged after 127 steps. Minimization converged after 183 steps. Minimization converged after 132 steps. Minimization converged after 124 steps. Minimization converged after 180 steps. Minimization converged after 87 steps. Minimization converged after 166 steps. Minimization converged after 94 steps. Minimization converged after 137 steps. Minimization converged after 68 steps. Minimization converged after 148 steps. Minimization converged after 87 steps. Minimization converged after 99 steps. Minimization converged after 85 steps. Minimization converged after 88 steps. Minimization converged after 149 steps. Minimization converged after 105 steps. Minimization converged after 93 steps. Minimization converged after 86 steps. Minimization converged after 155 steps. Minimization converged after 133 steps. Minimization converged after 79 steps. Minimization converged after 87 steps. Minimization converged after 151 steps. Minimization converged after 122 steps. Minimization converged after 92 steps. Minimization converged after 98 steps. Minimization converged after 142 steps. Minimization converged after 127 steps. Minimization converged after 112 steps. Minimization converged after 115 steps. Minimization converged after 97 steps. Minimization converged after 88 steps. Minimization converged after 127 steps. Minimization converged after 95 steps. Minimization converged after 93 steps. Minimization converged after 88 steps. Minimization converged after 117 steps. Minimization converged after 135 steps. Minimization converged after 102 steps. Minimization converged after 104 steps. Minimization converged after 170 steps. Minimization converged after 174 steps. Minimization converged after 122 steps. Minimization converged after 92 steps. Minimization converged after 182 steps. Minimization converged after 96 steps. Minimization converged after 77 steps. Minimization converged after 157 steps. Minimization converged after 88 steps. Minimization converged after 95 steps. Minimization converged after 99 steps. Minimization converged after 101 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 1.64059926e-06 2.26300372e-07 -7.76474873e-06] [ 2.41530071e-06 3.10152944e-06 -1.65234705e-06] [ 3.62807464e-06 8.84757574e-07 -6.96518496e-06] [ 2.51254517e-06 1.94603473e-06 -9.06536626e-07] [ 3.01563608e-06 -6.50088994e-07 1.17758111e-06] [ 2.02629788e-06 -8.88519337e-07 1.23076070e-06] [ 1.66104422e-06 -2.61292674e-06 5.44170706e-06] [-1.68142872e-06 -7.43723034e-08 7.29668235e-06] [-3.44460259e-06 7.34193060e-06 -2.50203475e-06] [-2.32840277e-06 -3.62063932e-06 -3.09174883e-07] [-3.96930685e-06 -2.54473590e-07 -1.47463028e-06] [ 1.13621317e-06 -2.76576592e-06 -1.84006354e-06] [ 6.05109457e-07 4.08424472e-07 2.18787525e-06] [ 1.09106459e-06 -1.88720415e-06 -2.33997407e-07] [-7.51850071e-07 -4.05247573e-09 -1.88050553e-06] [-5.04751421e-06 3.12698666e-06 -5.68666454e-06] [-1.54505764e-06 1.58962325e-07 -3.11176671e-06] [ 1.35407738e-06 -7.01224817e-07 3.53320292e-06] [-5.29288797e-07 8.16854988e-07 1.40323758e-06] [-1.17430956e-06 -7.76152484e-07 -2.15715001e-06] [ 1.29918777e-06 3.53752308e-07 4.22391363e-06] [-5.81279811e-06 -3.11248638e-06 -2.12219384e-06] [ 1.82485075e-06 3.88399322e-06 -2.77681128e-06] [ 1.13319459e-05 -2.19575808e-06 -6.58400361e-07] [-3.46795074e-06 5.00635216e-06 -2.81439138e-07] [-9.64661679e-07 7.11235749e-07 4.87805586e-06] [-3.58154581e-06 1.55167158e-06 -3.69052280e-07] [-7.03623110e-06 -1.17658458e-06 1.57581528e-06] [ 9.31384415e-06 -3.41749301e-06 4.62332742e-06] [ 6.53574768e-06 4.09959346e-06 1.54127008e-06] [ 2.79012414e-06 2.79094459e-07 2.02896472e-06] [ 3.80395411e-06 -2.46641504e-06 3.79403370e-06] [ 4.21532996e-06 -4.04984108e-06 -1.69425155e-06] [ 3.90910937e-06 5.07400604e-06 -7.75877485e-06] [-1.96922971e-06 -5.69601262e-06 9.81561791e-06] [ 7.97059945e-07 -6.97257081e-07 -2.68790432e-06] [ 5.09289296e-06 -4.84380389e-06 2.34056792e-06] [-1.93637099e-06 -5.66091210e-06 -5.19452902e-06] [ 3.89726613e-06 4.55672037e-06 -8.93152496e-06] [ 8.80687627e-06 4.28252061e-06 3.60065639e-06] [-7.73289837e-06 -5.85588681e-06 -2.24654023e-06] [-1.09215676e-06 5.38303216e-06 2.42140420e-07] [-2.05096844e-06 -1.56825697e-06 -1.24842189e-06] [-2.46322927e-06 6.62414365e-07 -1.90891020e-06] [-6.89004422e-06 4.40186394e-06 -2.05000902e-06] [-6.39244779e-06 2.86038744e-06 4.10102735e-06] [-1.53044694e-06 -3.68286198e-06 6.56807380e-06] [-4.76261682e-06 -3.51980113e-06 1.08342244e-06] [-4.05118861e-06 2.01207081e-06 3.19820335e-06] [-4.91131337e-06 -3.78217571e-06 3.39226815e-06] [-7.28738379e-07 1.32419257e-06 2.38821621e-06] [ 2.31577354e-06 -3.67139458e-08 7.42286256e-07] [-1.59876971e-06 -1.78046869e-06 6.03109020e-07] [ 4.89184423e-06 4.26864768e-08 -3.17445189e-06] [ 2.44776250e-06 1.01336089e-06 -2.36275868e-06] [-4.91416383e-06 2.26741962e-06 -1.06123823e-06]] Final stress: [-3.47419093e-02 6.37369362e-04 4.22451995e-02 -1.68707688e-07 6.23173873e-02 3.93499469e-08] Minimization converged after 95 steps. Minimization converged after 97 steps. Minimization converged after 83 steps. Minimization converged after 87 steps. Minimization converged after 108 steps. Minimization converged after 101 steps. Minimization converged after 127 steps. Minimization converged after 78 steps. Minimization converged after 106 steps. Minimization converged after 102 steps. Minimization converged after 103 steps. Minimization converged after 87 steps. Minimization converged after 96 steps. Minimization converged after 98 steps. Minimization converged after 189 steps. Minimization converged after 140 steps. Minimization converged after 155 steps. Minimization converged after 85 steps. Minimization converged after 83 steps. Minimization converged after 102 steps. Minimization converged after 133 steps. Minimization converged after 91 steps. Minimization converged after 97 steps. Minimization converged after 70 steps. Minimization converged after 141 steps. Minimization converged after 80 steps. Minimization converged after 91 steps. Minimization converged after 128 steps. Minimization converged after 148 steps. Minimization converged after 87 steps. Minimization converged after 98 steps. Minimization converged after 68 steps. Minimization converged after 190 steps. Minimization converged after 96 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-1.91928572e-06 -8.46313515e-07 -1.93947184e-06] [ 1.27034966e-06 1.00932796e-06 -3.73562374e-06] [-1.72286556e-06 -1.34083169e-06 3.34859001e-06] [-1.88383971e-06 -7.19271969e-07 4.52187845e-06] [-1.78454988e-06 1.08829114e-06 -8.45326550e-07] [ 1.56829706e-06 3.77437398e-07 7.01151042e-07] [-3.71220000e-07 5.38701485e-07 -1.23658652e-06] [ 1.16056571e-06 1.62973533e-06 3.89493985e-07] [ 2.67948084e-06 -4.31564569e-07 -1.86174344e-06] [-2.18852053e-06 4.08393064e-06 4.69792484e-06] [ 2.83612446e-06 2.25245223e-06 -4.33562474e-06] [-2.76250732e-06 -4.73171813e-06 2.39605519e-06] [-2.20925211e-06 8.77563877e-08 -1.83529835e-06] [ 3.48869052e-06 3.27337646e-07 -6.12083577e-07] [ 2.74439474e-06 -4.45861296e-07 4.11235182e-06] [-5.68641850e-07 -1.41244405e-06 2.90537969e-06] [-2.36732071e-07 4.69234496e-07 -2.45413647e-06] [-3.23573270e-07 -8.49831652e-07 1.25504531e-07] [ 2.26196681e-07 -7.04669774e-09 -1.23478538e-07] [-1.91077956e-06 -3.72091374e-08 -3.30470141e-06] [-4.20481452e-06 -2.60067007e-07 -6.83662126e-06] [ 3.91677682e-06 -2.68637436e-06 -2.74113428e-06] [ 4.84210484e-06 7.99819148e-07 9.44417592e-06] [-1.55870074e-06 1.41669492e-06 1.97442780e-06] [-1.11482030e-06 1.41183802e-06 -6.15319752e-07] [ 8.73851375e-06 4.64462095e-06 4.22215271e-06] [ 1.70867732e-06 -4.95910171e-07 -9.00410819e-07] [ 2.15768312e-06 2.03157001e-07 -3.39604533e-06] [-2.54133579e-06 -3.51593366e-06 -1.66270664e-06] [ 3.01974698e-06 -3.52238168e-06 1.12262574e-06] [ 1.54759373e-06 1.17406639e-06 4.16295646e-07] [-4.71640877e-06 -1.89209035e-06 -1.87156084e-06] [-3.93429776e-07 -4.63306159e-07 -1.44697501e-06] [-1.83535628e-06 3.43230943e-06 1.64267287e-06] [-4.57254271e-06 1.08064137e-06 3.89682134e-06] [-2.69757054e-06 1.74643421e-06 6.34396740e-07] [ 3.99642283e-06 1.10627879e-07 3.60546927e-06] [-9.23698367e-06 -1.86671932e-07 -8.85053157e-07] [-3.18247816e-07 2.44370836e-06 -2.42068122e-06] [-9.55509599e-08 3.67498367e-06 3.85940893e-06] [ 4.20159432e-06 4.55123453e-07 1.34998269e-06] [-6.69080177e-06 -5.14513500e-06 -1.31951345e-07] [-1.01092614e-06 -3.46531176e-06 -2.57546022e-06] [ 4.22707355e-06 2.32175204e-06 1.53033942e-06] [ 1.76937758e-06 -1.35770030e-06 3.66080221e-06] [-6.49883192e-06 -6.04035687e-06 5.30906256e-07] [-3.64888969e-07 5.20093509e-07 -3.92083935e-06] [ 5.32746814e-06 2.19725180e-06 2.12606100e-06] [-2.09788117e-06 3.69387416e-06 4.69929207e-06] [ 1.78069255e-06 5.07411600e-06 -3.25012622e-08] [ 9.34104756e-07 -4.39701061e-07 -1.56444264e-06] [-1.44523157e-06 -3.40437407e-06 -3.61132806e-07] [ 1.09107493e-06 -1.34995407e-06 -4.68845245e-06] [ 3.58688283e-07 -5.94158290e-06 -6.10814914e-06] [ 1.60894193e-06 -9.22346453e-07 -2.43930262e-06] [ 2.07545586e-06 3.64597354e-06 -1.03134481e-06]] Final stress: [-0.03192041 0.0040604 0.04265856 -0.00133816 0.06265968 0.0001162 ] Minimization converged after 75 steps. Minimization converged after 134 steps. Minimization converged after 94 steps. Minimization converged after 67 steps. Minimization converged after 85 steps. Minimization converged after 133 steps. Minimization converged after 75 steps. Minimization converged after 150 steps. Minimization converged after 100 steps. Minimization converged after 144 steps. Minimization converged after 110 steps. Minimization converged after 88 steps. Minimization converged after 111 steps. Minimization converged after 75 steps. Minimization converged after 148 steps. Minimization converged after 104 steps. Minimization converged after 93 steps. Minimization converged after 96 steps. Minimization converged after 79 steps. Minimization converged after 144 steps. Minimization converged after 108 steps. Minimization converged after 92 steps. Minimization converged after 73 steps. Minimization converged after 115 steps. Minimization converged after 79 steps. Minimization converged after 118 steps. Minimization converged after 95 steps. Minimization converged after 104 steps. Minimization converged after 124 steps. Minimization converged after 159 steps. Minimization converged after 99 steps. Minimization converged after 83 steps. Minimization converged after 88 steps. Minimization converged after 129 steps. Minimization converged after 151 steps. Minimization converged after 113 steps. Minimization converged after 84 steps. Minimization converged after 89 steps. Minimization converged after 170 steps. Minimization converged after 70 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 96 steps. Minimization converged after 82 steps. Minimization converged after 85 steps. Minimization converged after 100 steps. Minimization converged after 162 steps. Minimization converged after 100 steps. Minimization converged after 127 steps. Minimization converged after 97 steps. Minimization converged after 149 steps. Minimization converged after 168 steps. Minimization converged after 103 steps. Minimization converged after 95 steps. Minimization converged after 65 steps. Minimization converged after 90 steps. Minimization converged after 103 steps. Minimization converged after 113 steps. Minimization converged after 127 steps. Minimization converged after 76 steps. Minimization converged after 143 steps. Minimization converged after 103 steps. Minimization converged after 91 steps. Minimization converged after 86 steps. Minimization converged after 79 steps. Minimization converged after 114 steps. Minimization converged after 146 steps. Minimization converged after 136 steps. Minimization converged after 77 steps. Minimization converged after 73 steps. Minimization converged after 68 steps. Minimization converged after 82 steps. Minimization converged after 99 steps. Minimization converged after 94 steps. Minimization converged after 81 steps. Minimization converged after 96 steps. Minimization converged after 100 steps. Minimization converged after 149 steps. Minimization converged after 108 steps. Minimization converged after 77 steps. Minimization converged after 83 steps. Minimization converged after 106 steps. Minimization converged after 101 steps. Minimization converged after 114 steps. Minimization converged after 97 steps. Minimization converged after 113 steps. Minimization converged after 173 steps. Minimization converged after 83 steps. Minimization converged after 76 steps. Minimization converged after 122 steps. Minimization converged after 159 steps. Minimization converged after 106 steps. Minimization converged after 114 steps. Minimization converged after 144 steps. Minimization converged after 71 steps. Minimization converged after 99 steps. Minimization converged after 85 steps. Minimization converged after 117 steps. Minimization converged after 120 steps. Minimization converged after 150 steps. Minimization converged after 101 steps. Minimization converged after 141 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 93 steps. Minimization converged after 91 steps. Minimization converged after 178 steps. Minimization converged after 136 steps. Minimization converged after 57 steps. Minimization converged after 85 steps. Minimization converged after 130 steps. Minimization converged after 85 steps. Minimization converged after 114 steps. Minimization converged after 144 steps. Minimization converged after 96 steps. Minimization converged after 96 steps. Minimization converged after 142 steps. Minimization converged after 123 steps. Minimization converged after 122 steps. Minimization converged after 84 steps. Minimization converged after 159 steps. Minimization converged after 115 steps. Minimization converged after 85 steps. Minimization converged after 117 steps. Minimization converged after 143 steps. Minimization converged after 85 steps. Minimization converged after 99 steps. Minimization converged after 98 steps. Minimization converged after 55 steps. Minimization converged after 85 steps. Minimization converged after 136 steps. Minimization converged after 100 steps. Minimization converged after 102 steps. Minimization converged after 94 steps. Minimization converged after 106 steps. Minimization converged after 103 steps. Minimization converged after 71 steps. Minimization converged after 82 steps. Minimization converged after 118 steps. Minimization converged after 115 steps. Minimization converged after 96 steps. Minimization converged after 77 steps. Minimization converged after 85 steps. Minimization converged after 144 steps. Minimization converged after 133 steps. Minimization converged after 95 steps. Minimization converged after 70 steps. Minimization converged after 86 steps. Minimization converged after 91 steps. Minimization converged after 116 steps. Minimization converged after 87 steps. Minimization converged after 172 steps. Minimization converged after 95 steps. Minimization converged after 93 steps. Minimization converged after 135 steps. Minimization converged after 142 steps. Minimization converged after 102 steps. Minimization converged after 86 steps. Minimization converged after 91 steps. Minimization converged after 108 steps. Minimization converged after 172 steps. Minimization converged after 162 steps. Minimization converged after 99 steps. Minimization converged after 88 steps. Minimization converged after 101 steps. Minimization converged after 76 steps. Minimization converged after 87 steps. Minimization converged after 102 steps. Minimization converged after 113 steps. Minimization converged after 88 steps. Minimization converged after 82 steps. Minimization converged after 108 steps. Minimization converged after 121 steps. Minimization converged after 94 steps. Minimization converged after 88 steps. Minimization converged after 145 steps. Minimization converged after 154 steps. Minimization converged after 148 steps. Minimization converged after 126 steps. Minimization converged after 144 steps. Minimization converged after 93 steps. Minimization converged after 120 steps. Minimization converged after 102 steps. Minimization converged after 95 steps. Minimization converged after 89 steps. Minimization converged after 88 steps. Minimization converged after 94 steps. Minimization converged after 128 steps. Minimization converged after 93 steps. Minimization converged after 73 steps. Minimization converged after 67 steps. Minimization converged after 191 steps. Minimization converged after 143 steps. Minimization converged after 94 steps. Minimization converged after 176 steps. Minimization converged after 134 steps. Minimization converged after 164 steps. Minimization converged after 100 steps. Minimization converged after 133 steps. Minimization converged after 143 steps. Minimization converged after 120 steps. Minimization converged after 87 steps. Minimization converged after 139 steps. Minimization converged after 118 steps. Minimization converged after 96 steps. Minimization converged after 74 steps. Minimization converged after 73 steps. Minimization converged after 95 steps. Minimization converged after 90 steps. Minimization converged after 94 steps. Minimization converged after 98 steps. Minimization converged after 138 steps. Minimization converged after 68 steps. Minimization converged after 126 steps. Minimization converged after 79 steps. Minimization converged after 138 steps. Minimization converged after 82 steps. Minimization converged after 90 steps. Minimization converged after 98 steps. Minimization converged after 102 steps. Minimization converged after 55 steps. Minimization converged after 75 steps. Minimization converged after 104 steps. Minimization converged after 158 steps. Minimization converged after 101 steps. Minimization converged after 120 steps. Minimization converged after 151 steps. Minimization converged after 121 steps. Minimization converged after 88 steps. Minimization converged after 72 steps. Minimization converged after 154 steps. Minimization converged after 142 steps. Minimization converged after 92 steps. Minimization converged after 87 steps. Minimization converged after 190 steps. Minimization converged after 76 steps. Minimization converged after 81 steps. Minimization converged after 100 steps. Minimization converged after 119 steps. Minimization converged after 170 steps. Minimization converged after 69 steps. Minimization converged after 72 steps. Minimization converged after 101 steps. Minimization converged after 66 steps. Minimization converged after 104 steps. Minimization converged after 79 steps. Minimization converged after 128 steps. Minimization converged after 92 steps. Minimization converged after 120 steps. Minimization converged after 85 steps. Minimization converged after 124 steps. Minimization converged after 104 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 5.22526345e-06 8.57326235e-07 -4.06556825e-06] [-2.61969947e-06 8.17605783e-07 -2.74837568e-06] [-2.27652134e-06 -1.29816976e-08 -3.86012524e-08] [ 2.80137901e-06 -4.11759715e-07 -2.55852548e-06] [-1.38955408e-06 -7.43232474e-07 9.10334641e-07] [-1.03763088e-06 1.69247673e-07 -7.51095422e-07] [-8.40105616e-07 -9.88548919e-07 -4.00123664e-07] [-3.63725261e-06 -4.36473679e-07 -1.37455656e-09] [-1.69928106e-06 -5.48631285e-07 1.89089999e-06] [ 1.10774599e-06 2.76342574e-06 2.24455915e-06] [-1.02420360e-06 -2.97195701e-07 2.70781825e-06] [ 4.89905813e-07 -2.30242838e-06 -1.12993806e-06] [ 4.09344666e-06 -3.85575172e-08 4.09458166e-06] [ 4.33428283e-07 1.80514027e-06 -2.38918274e-07] [-4.00852934e-06 -1.02735161e-07 -1.06256620e-06] [-4.09327794e-06 2.08497785e-07 -1.00894054e-06] [ 1.82059178e-06 8.75300634e-07 1.52727480e-06] [ 1.63719752e-06 4.47917051e-07 -9.44862336e-09] [-4.54235415e-07 -4.19388181e-07 -1.51795929e-06] [ 1.72583181e-06 8.37221724e-08 5.01503827e-07] [ 3.34419758e-06 -6.81910226e-07 -5.84279569e-06] [-1.52458603e-06 4.20562803e-06 4.42108492e-06] [-5.02475808e-06 -7.96429516e-06 -5.24482847e-08] [-3.61136800e-06 5.38620165e-06 5.55046100e-06] [ 4.22468978e-07 1.50862384e-07 2.27763227e-06] [ 1.30822702e-06 -3.74261602e-06 -6.52049673e-06] [ 1.24082434e-06 3.69240635e-06 -6.71770365e-06] [-2.26729192e-06 -9.36932255e-06 -6.82718958e-06] [ 1.48391429e-06 3.27060897e-06 2.99166936e-07] [-2.91283781e-06 -3.19223633e-06 -1.89776296e-06] [ 2.73287394e-06 -2.26267978e-06 1.83628959e-07] [-5.46979021e-06 -7.91638928e-07 6.55509071e-07] [-2.64292864e-06 -4.43981510e-06 2.31338628e-06] [-2.01391841e-06 -8.32829033e-07 -4.01957143e-06] [-3.34204847e-06 3.48859465e-06 6.27516410e-07] [ 4.65567714e-06 -1.05969210e-05 -1.00749195e-05] [-3.80504239e-07 -2.59832279e-06 -5.12332392e-07] [ 9.99391040e-07 -2.74587963e-06 2.03793583e-06] [ 2.95565951e-06 1.91529633e-06 5.40591520e-07] [ 6.83601381e-06 -4.07753879e-07 2.80386265e-06] [-1.08741702e-06 -3.74159058e-06 -2.96899672e-06] [ 2.16177885e-06 -1.16137960e-06 1.84152345e-06] [-4.00788385e-06 4.28249984e-06 -1.62645535e-06] [ 6.71325744e-06 -7.18218698e-07 2.32224663e-06] [-3.27923745e-06 6.43432450e-06 5.05862453e-07] [-3.64287625e-07 9.00012062e-08 7.84918892e-07] [ 2.30295777e-06 -3.95943551e-06 3.55460936e-06] [ 3.54564912e-06 5.90809406e-06 2.23387694e-06] [-1.49987248e-07 5.28535972e-06 4.35627899e-06] [-2.16468487e-06 -9.92293087e-07 2.71395462e-06] [ 3.09923065e-06 -4.07141004e-06 4.90778232e-06] [-5.92256374e-07 -7.12389293e-07 8.85715598e-07] [ 1.03268606e-06 4.91491180e-06 -3.49235699e-06] [ 3.23477541e-06 2.53179386e-06 1.68519295e-06] [ 4.63832804e-07 -1.63441823e-06 2.76667360e-07] [-3.95212841e-06 1.33345214e-05 4.42808683e-06]] Final stress: [-3.28061608e-02 3.82882515e-03 4.35274665e-02 1.42850118e-07 6.20254933e-02 -6.41761854e-08] Minimization converged after 104 steps. Minimization converged after 96 steps. Minimization converged after 160 steps. Minimization converged after 83 steps. Minimization converged after 123 steps. Minimization converged after 96 steps. Minimization converged after 92 steps. Minimization converged after 73 steps. Minimization converged after 91 steps. Minimization converged after 139 steps. Minimization converged after 96 steps. Minimization converged after 138 steps. Minimization converged after 96 steps. Minimization converged after 85 steps. Minimization converged after 98 steps. Minimization converged after 151 steps. Minimization converged after 131 steps. Minimization converged after 88 steps. Minimization converged after 79 steps. Minimization converged after 148 steps. Minimization converged after 96 steps. Minimization converged after 66 steps. Minimization converged after 88 steps. Minimization converged after 110 steps. Minimization converged after 80 steps. Minimization converged after 84 steps. Minimization converged after 180 steps. Minimization converged after 82 steps. Minimization converged after 78 steps. Minimization converged after 91 steps. Minimization converged after 85 steps. Minimization converged after 142 steps. Minimization converged after 163 steps. Minimization converged after 63 steps. Minimization converged after 135 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-1.29710001e-06 9.78624291e-07 1.22670452e-07] [ 1.73743925e-06 -1.63884890e-06 1.56399281e-07] [-1.58515804e-06 -1.21201280e-06 5.25088670e-07] [-9.51302416e-08 -1.67402552e-06 -1.37276089e-06] [-2.46303292e-06 7.74847295e-07 -7.29443845e-07] [ 2.02689440e-06 1.01653411e-06 -3.65005745e-06] [-1.17574759e-06 -1.88029312e-06 -1.24303178e-07] [-2.80828345e-07 5.84044903e-08 8.83388793e-08] [ 9.60031621e-07 -3.40842907e-07 7.95630318e-07] [ 7.96673674e-07 2.51582735e-06 -2.46737936e-06] [-6.83557415e-07 5.62665029e-07 1.27012191e-06] [ 1.18325433e-06 -1.56235639e-06 -1.05753811e-07] [ 9.56912286e-07 1.48088327e-06 1.78665284e-06] [-1.93666022e-08 -2.07890548e-06 -3.51401186e-07] [ 2.39151125e-06 2.66935643e-06 1.60633481e-06] [-2.45508338e-06 1.96165893e-06 2.52981092e-06] [-3.02310361e-06 -2.89265862e-07 -2.97970124e-06] [-1.37739356e-07 2.51597316e-07 -2.75793034e-06] [-7.92129726e-07 -9.91264748e-07 -9.41606173e-07] [-6.55087828e-07 -2.81966003e-07 -2.91144717e-06] [ 7.40254511e-06 5.49770321e-06 -7.41094246e-07] [-3.58975388e-07 4.05151333e-07 1.10529772e-06] [ 3.41430198e-06 -6.16984338e-07 3.37042503e-06] [ 6.69005075e-06 3.02621805e-07 -9.24157758e-07] [-1.92129893e-06 -1.98289984e-06 4.03013063e-06] [-2.90159245e-06 -4.97573983e-06 -1.73224969e-06] [-1.52573311e-06 1.16997574e-06 9.72699654e-07] [-3.80370857e-06 -7.22713029e-07 3.25517521e-06] [-1.37079050e-06 3.14595679e-06 -9.46937023e-07] [-3.57789658e-07 1.81583306e-06 -6.69076174e-07] [-1.09782888e-06 -1.87803798e-06 -9.53172540e-07] [-1.19624992e-06 1.02765746e-06 -1.00426279e-07] [-3.03000500e-06 -4.03815915e-06 -2.39245259e-06] [ 7.56215919e-07 2.31868647e-06 -1.76992315e-06] [-2.04733451e-06 -2.40038945e-06 -1.91124199e-07] [ 1.37559163e-06 3.70502727e-07 -3.04752189e-06] [ 2.95075564e-06 5.70964791e-07 4.55126226e-06] [ 3.87677638e-06 -8.60754825e-07 4.54167173e-06] [ 1.59456392e-06 4.38129002e-06 1.66068168e-07] [ 5.24010306e-06 -1.70150214e-06 2.86272061e-06] [ 7.42335922e-07 6.51615867e-07 5.86951002e-07] [-5.23965054e-07 1.76357786e-06 -1.08519708e-06] [-1.45013923e-06 2.00179416e-06 1.57200767e-06] [ 2.25641483e-06 2.07019348e-06 8.50432896e-07] [ 8.82210760e-07 -1.99205924e-06 5.79715960e-06] [ 1.08455264e-06 1.47949238e-06 3.10520978e-06] [-3.23776788e-06 -3.54548224e-06 5.65371111e-06] [-5.70665244e-06 3.81136586e-06 -3.29414403e-07] [ 3.14215629e-06 1.73104705e-07 -5.11713760e-07] [-1.26275101e-07 -8.30967055e-07 1.38242638e-06] [ 9.54317586e-07 -3.43220583e-07 4.04569638e-06] [-1.88764304e-06 -3.86749465e-06 3.84275178e-06] [-2.95598834e-06 -1.30922224e-06 -1.01261378e-05] [-2.22429882e-06 -2.68556537e-06 -2.27274451e-06] [ 1.30638368e-06 4.83454056e-07 -1.15699524e-05] [-1.33489100e-06 -1.03665119e-08 -2.81776566e-06]] Final stress: [-3.25397199e-02 4.45597111e-03 4.39261268e-02 -2.04170495e-04 6.18681869e-02 1.77106132e-05] Minimization converged after 78 steps. Minimization converged after 192 steps. Minimization converged after 96 steps. Minimization converged after 91 steps. Minimization converged after 80 steps. Minimization converged after 95 steps. Minimization converged after 91 steps. Minimization converged after 180 steps. Minimization converged after 85 steps. Minimization converged after 136 steps. Minimization converged after 102 steps. Minimization converged after 112 steps. Minimization converged after 69 steps. Minimization converged after 91 steps. Minimization converged after 91 steps. Minimization converged after 87 steps. Minimization converged after 95 steps. Minimization converged after 135 steps. Minimization converged after 88 steps. Minimization converged after 123 steps. Minimization converged after 85 steps. Minimization converged after 96 steps. Minimization converged after 81 steps. Minimization converged after 82 steps. Minimization converged after 72 steps. Minimization converged after 98 steps. Minimization converged after 72 steps. Minimization converged after 149 steps. Minimization converged after 90 steps. Minimization converged after 107 steps. Minimization converged after 96 steps. Minimization converged after 77 steps. Minimization converged after 102 steps. Minimization converged after 110 steps. Minimization converged after 102 steps. Minimization converged after 109 steps. Minimization converged after 80 steps. Minimization converged after 93 steps. Minimization converged after 76 steps. Minimization converged after 92 steps. Minimization converged after 101 steps. Minimization converged after 97 steps. Minimization converged after 182 steps. Minimization converged after 116 steps. Minimization converged after 81 steps. Minimization converged after 128 steps. Minimization converged after 124 steps. Minimization converged after 84 steps. Minimization converged after 78 steps. Minimization converged after 101 steps. Minimization converged after 101 steps. Minimization converged after 96 steps. Minimization converged after 92 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 4.32969258e-06 -1.05834817e-06 -2.98878846e-06] [-3.88220382e-07 -4.82890353e-07 1.27466488e-06] [ 3.94801913e-07 -1.80356222e-06 2.14940125e-06] [ 6.19312818e-07 4.94248159e-07 1.06908610e-06] [-9.42690670e-07 2.93701471e-06 -2.63595536e-06] [ 2.00825081e-06 -5.87819047e-07 -1.38398661e-06] [ 6.03418255e-07 -2.41294436e-06 1.57739403e-06] [-8.09647056e-07 2.38609554e-07 6.49765056e-07] [ 2.71046636e-06 -2.84837447e-06 5.08978341e-07] [-2.92039876e-06 1.75560478e-06 8.50186795e-08] [ 1.73150678e-06 -1.08722560e-06 -1.31842270e-06] [-8.64969473e-07 1.87234430e-06 1.37042907e-06] [-3.75133169e-07 -9.72795032e-07 -1.32276142e-06] [ 2.54056027e-06 -3.94134344e-07 -1.79305597e-06] [-4.25580372e-06 9.18136401e-07 -1.15082227e-06] [-1.36068274e-06 4.83852615e-07 -6.12626810e-07] [ 2.19826265e-06 3.09260050e-07 3.83802942e-06] [-1.19408297e-06 8.51036588e-07 -6.51657369e-07] [-1.03939596e-06 9.47994768e-07 -5.44492565e-06] [-3.03264539e-06 -1.16156716e-08 -3.20085850e-06] [ 4.08505986e-06 -2.63051277e-06 3.10702592e-06] [ 9.50714135e-06 -5.81800553e-06 9.29692728e-06] [-1.75915245e-06 1.13761464e-06 -3.52937783e-06] [ 6.60156856e-08 8.91383525e-06 -1.87077698e-06] [ 1.65145877e-06 7.47602788e-07 -1.58570833e-06] [ 1.04892213e-06 3.29354398e-06 8.28025020e-07] [-7.16416676e-08 -7.34732596e-07 2.91842224e-06] [ 1.76724863e-06 1.96599875e-07 -2.99634979e-06] [-1.36117718e-06 2.58131169e-07 -1.59132661e-07] [-4.80975829e-07 -2.48208024e-06 6.28833386e-07] [-2.48399291e-06 1.31826211e-07 -6.19198302e-07] [-2.98610979e-06 -7.19365525e-06 1.34360024e-06] [-1.95219132e-06 3.94080818e-06 -3.83129134e-06] [-5.90863072e-06 4.87469639e-07 -1.94898811e-06] [ 1.62455815e-06 -4.48169979e-08 -9.51897363e-07] [-2.29659056e-06 -6.68841783e-07 -2.97329995e-06] [-1.79838357e-06 -3.84557339e-06 1.51154760e-06] [-2.08675639e-08 -1.11832556e-06 4.03291066e-06] [ 1.06895464e-06 5.98460779e-07 5.93607558e-06] [ 2.79726546e-06 -5.23218798e-06 1.36782889e-06] [-9.21894674e-07 5.82120026e-06 1.02724629e-06] [-1.44189115e-06 -8.32114398e-07 9.18931651e-07] [ 2.73944777e-06 -2.35954592e-06 8.35324255e-07] [-2.03673346e-06 -7.87058378e-06 3.88542442e-06] [-2.43044483e-06 6.75734911e-06 1.54798048e-06] [-1.07107915e-05 -7.08875967e-06 -9.34339625e-06] [ 2.70656916e-06 -1.25289931e-06 -1.83270391e-06] [-4.82229295e-06 2.82856726e-06 3.34645220e-06] [ 2.15060469e-06 -6.00225089e-06 -1.93987410e-06] [ 8.68844794e-07 2.92258557e-06 -2.65082442e-06] [-3.70856517e-06 3.19929522e-06 1.78150828e-06] [ 6.29245072e-06 2.83537364e-06 6.09976161e-06] [-2.01004536e-06 1.40477894e-06 -2.28379743e-06] [ 7.32187533e-06 -3.44836721e-06 2.90482675e-06] [ 2.44552812e-06 -4.61735557e-06 3.88055765e-06] [ 1.10782520e-06 1.86171736e-05 -8.70149936e-06]] Final stress: [-3.25752894e-02 4.25934477e-03 4.34163631e-02 2.04659671e-08 6.20778240e-02 -3.15441487e-08] Minimization converged after 85 steps. Minimization converged after 87 steps. Minimization converged after 88 steps. Minimization converged after 92 steps. Minimization converged after 194 steps. Minimization converged after 173 steps. Minimization converged after 84 steps. Minimization converged after 132 steps. Minimization converged after 158 steps. Minimization converged after 81 steps. Minimization converged after 119 steps. Minimization converged after 112 steps. Minimization converged after 101 steps. Minimization converged after 81 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 111 steps. Minimization converged after 124 steps. Minimization converged after 93 steps. Minimization converged after 122 steps. Minimization converged after 123 steps. Minimization converged after 95 steps. Minimization converged after 68 steps. Minimization converged after 105 steps. Minimization converged after 149 steps. Minimization converged after 111 steps. Minimization converged after 197 steps. Minimization converged after 112 steps. Minimization converged after 103 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 73 steps. Minimization converged after 165 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 6.33228723e-07 1.18521604e-06 -3.04330679e-06] [ 3.92143227e-07 2.71862309e-06 7.39632755e-07] [ 1.90327293e-06 -2.67880499e-06 -1.89080665e-06] [-2.51532463e-06 -7.97340258e-07 -8.09872429e-07] [ 4.90351182e-07 1.03658936e-06 8.44750500e-07] [ 2.28695436e-06 -4.11596736e-07 -1.11553954e-06] [-4.13665349e-07 -1.26959144e-06 3.60743640e-06] [ 3.34249749e-07 -1.64592545e-08 -6.44853531e-07] [ 2.52376577e-07 -3.34501871e-06 -1.33128243e-06] [ 2.36306175e-06 2.24044739e-06 -1.13500217e-06] [ 4.07176144e-07 8.23918103e-07 -7.25316225e-07] [-2.31311225e-06 3.19102152e-06 -8.20000510e-07] [-1.19676327e-06 2.69147610e-06 -3.51782474e-07] [ 2.86185872e-07 -7.17168005e-07 -5.34208400e-07] [-1.91581225e-06 1.63441475e-06 -4.81053660e-06] [ 1.41212393e-06 -1.98546510e-06 1.79090970e-06] [-2.26146292e-07 -3.29502791e-08 -4.48187957e-07] [ 5.65329539e-07 -3.94013207e-07 1.28631172e-06] [-1.02156769e-06 -6.01879697e-08 2.00178753e-06] [ 6.89387744e-07 6.64780422e-07 -7.71541742e-07] [ 8.53024546e-06 -2.43882596e-06 3.38135448e-06] [ 3.81888256e-06 6.53471278e-06 -1.46643268e-06] [ 9.37271147e-06 -5.56434110e-06 4.62688404e-07] [ 2.69346817e-06 5.97065822e-06 4.66711171e-07] [ 2.45251386e-06 -3.11720872e-06 1.35230523e-06] [ 4.43264825e-06 1.09079752e-06 -1.38093160e-06] [ 1.99644849e-06 -2.40206266e-06 2.28817392e-06] [ 3.94072357e-06 9.68074657e-07 -1.59734552e-06] [ 7.67306305e-07 -5.24786345e-06 -1.93216099e-06] [ 4.73223171e-06 4.64161674e-06 8.36179043e-07] [ 3.69949112e-06 -1.74936613e-06 2.23132973e-06] [-4.76829555e-07 -1.46804431e-06 -8.58103137e-07] [-5.96369610e-07 2.54713394e-06 -1.15568237e-06] [-4.62605690e-07 -7.79584915e-06 -2.57024898e-07] [-9.01650487e-07 9.11356784e-07 2.83589525e-06] [-5.35475530e-09 -6.96739523e-06 3.66642704e-06] [-1.56025747e-06 6.39992348e-06 -1.59128524e-06] [-2.86060478e-06 -4.72364154e-06 -3.63977728e-06] [-3.49190728e-06 2.00434404e-06 -4.04037523e-06] [-2.22816741e-06 -1.40584471e-06 -1.16883741e-06] [ 6.01955367e-07 2.84007633e-06 2.06685563e-06] [-4.30285321e-06 -3.31402159e-07 -9.60786952e-07] [-1.66757027e-06 -2.10793678e-06 -1.62871162e-06] [-2.02952338e-06 -1.39764245e-06 -2.10266122e-06] [-4.30517777e-06 -5.62499584e-06 -5.80758873e-06] [-1.66683258e-06 2.67595770e-06 -1.33525413e-09] [-3.79687620e-06 8.78790860e-07 -7.30926673e-06] [-1.42288915e-06 -5.94220626e-07 -3.47035665e-06] [ 1.12540201e-06 -2.60391680e-06 6.24854022e-07] [ 2.11811761e-06 1.61286397e-06 1.83431880e-06] [-6.63564449e-07 1.05435453e-06 1.83692189e-06] [ 8.43405940e-07 2.34307707e-06 -5.28610498e-07] [-5.65200845e-06 5.66379429e-06 7.56438532e-06] [-8.20398550e-06 -3.15078601e-06 5.76590029e-06] [-5.45366373e-06 4.86136501e-06 6.36530281e-06] [-1.79031013e-06 1.21455491e-06 5.47907987e-06]] Final stress: [-3.24025812e-02 4.35932741e-03 4.37499799e-02 -4.07447967e-08 6.19992462e-02 8.30309255e-08] Minimization converged after 103 steps. Minimization converged after 102 steps. Minimization converged after 89 steps. Minimization converged after 107 steps. Minimization converged after 186 steps. Minimization converged after 98 steps. Minimization converged after 63 steps. Minimization converged after 129 steps. Minimization converged after 194 steps. Minimization converged after 143 steps. Minimization converged after 151 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 5.08075687e-07 -2.41329610e-06 3.97694874e-06] [-2.40791977e-06 1.58030977e-06 5.90180538e-08] [-1.17021152e-06 9.36293028e-07 -2.23984230e-06] [ 3.72469053e-06 -4.47725708e-07 -2.24794826e-06] [-2.03321508e-07 6.67740312e-07 6.06631274e-07] [-2.07587450e-07 -1.67189062e-06 -3.58236174e-06] [ 1.35155350e-06 2.13019103e-06 -5.08954280e-07] [ 6.40758984e-07 -1.26466285e-06 -2.94858282e-06] [-2.22993708e-06 -3.05392684e-06 1.67889332e-06] [-7.30974411e-07 2.20454868e-06 -2.46509789e-06] [-2.07144456e-06 -1.14866343e-05 3.35653730e-06] [ 3.63889558e-06 -1.06414394e-06 -3.50874439e-06] [ 2.52995229e-06 -7.42941485e-07 2.00773402e-06] [ 2.73563813e-06 1.74728355e-06 8.95643166e-07] [-1.29367939e-06 4.23705297e-06 1.11764182e-06] [-6.09171522e-07 1.38355720e-06 -8.18712147e-07] [-2.86561887e-07 3.46085074e-07 -8.18423151e-07] [ 3.64901052e-06 1.15766934e-06 4.18816255e-06] [-1.05628846e-06 -4.76284513e-07 -1.98618644e-06] [ 1.13320646e-06 -1.56290938e-08 1.48717650e-06] [ 2.58948694e-06 -6.85585624e-06 -3.26399165e-06] [ 1.06534444e-06 5.83317896e-09 3.89398590e-06] [-4.46218631e-06 -2.74251413e-06 -2.50192786e-07] [-8.53126502e-07 -4.49105304e-06 -9.66113271e-09] [ 3.74736360e-06 -2.15068617e-06 -5.34209971e-07] [-3.44311340e-06 -4.10087166e-06 -2.22565892e-06] [ 5.25608490e-06 -1.48026063e-06 -2.03113531e-06] [-2.38083066e-06 -5.13107778e-07 2.31539754e-06] [-8.85480831e-06 4.16532583e-06 -1.91546545e-06] [ 6.14306317e-06 -2.43098777e-06 3.04001694e-06] [-2.55634281e-07 7.85478257e-06 -1.38013619e-06] [ 4.23445525e-06 -1.32760081e-06 2.75574567e-06] [-1.36403122e-06 1.59464744e-06 -1.50055466e-06] [-6.62803483e-07 4.80067900e-06 9.47558211e-07] [-3.98839859e-06 1.64229211e-06 8.21463891e-06] [ 6.95377405e-08 5.38272674e-06 -1.74426654e-06] [-3.87052202e-06 3.01466111e-06 5.92716602e-07] [ 2.53352810e-06 -1.56697603e-06 -4.80937530e-06] [-3.30217040e-06 5.82727138e-06 -3.26082383e-07] [ 1.63801484e-06 -6.03363529e-07 -2.25299792e-07] [ 4.60021523e-06 5.22672320e-06 3.96844069e-06] [-6.90883292e-06 6.52770623e-07 5.84377836e-07] [-3.99465314e-06 3.46430212e-06 -3.27393968e-06] [-3.43495711e-06 3.91117310e-06 -8.50034576e-07] [ 2.89411790e-06 -1.04850886e-06 -2.84818537e-06] [-2.31340628e-06 3.74326831e-06 1.55007810e-07] [ 5.96204303e-07 -3.54892526e-06 -2.25643325e-06] [-4.02752916e-06 -9.69602746e-07 -3.93051983e-07] [ 3.67836355e-07 -1.22674273e-06 3.34081773e-06] [-1.47672652e-06 7.07531503e-07 1.83680205e-06] [ 1.87572593e-06 -4.22744865e-06 -1.22947361e-06] [ 2.36089973e-07 -3.28885468e-06 8.08670617e-07] [ 2.23684737e-07 -1.59587063e-06 5.89164894e-06] [ 3.58834741e-06 -1.08253057e-06 -1.09521942e-06] [ 6.00894809e-06 -5.88257236e-07 9.14235953e-08] [ 2.80997251e-07 9.24353332e-08 -4.52441449e-06]] Final stress: [-3.23664224e-02 4.49208042e-03 4.38605393e-02 4.75309999e-08 6.19480100e-02 9.48521857e-08] Minimization converged after 75 steps. Minimization converged after 68 steps. Minimization converged after 147 steps. Minimization converged after 84 steps. Minimization converged after 130 steps. Minimization converged after 85 steps. Minimization converged after 116 steps. Minimization converged after 105 steps. Minimization converged after 76 steps. Minimization converged after 80 steps. Minimization converged after 96 steps. Minimization converged after 88 steps. Minimization converged after 77 steps. Minimization converged after 127 steps. Minimization converged after 97 steps. Minimization converged after 72 steps. Minimization converged after 87 steps. Minimization converged after 78 steps. Minimization converged after 103 steps. Minimization converged after 171 steps. Minimization converged after 168 steps. Minimization converged after 129 steps. Minimization converged after 163 steps. Minimization converged after 95 steps. Minimization converged after 120 steps. Minimization converged after 81 steps. Minimization converged after 96 steps. Minimization converged after 88 steps. Minimization converged after 84 steps. Minimization converged after 96 steps. Minimization converged after 155 steps. Minimization converged after 157 steps. Minimization converged after 88 steps. Minimization converged after 94 steps. Minimization converged after 120 steps. Minimization converged after 111 steps. Minimization converged after 99 steps. Minimization converged after 70 steps. Minimization converged after 103 steps. Minimization converged after 108 steps. Minimization converged after 140 steps. Minimization converged after 86 steps. Minimization converged after 76 steps. Minimization converged after 123 steps. Minimization converged after 88 steps. Minimization converged after 111 steps. Minimization converged after 72 steps. Minimization converged after 89 steps. Minimization converged after 110 steps. Minimization converged after 91 steps. Minimization converged after 66 steps. Minimization converged after 155 steps. Minimization converged after 89 steps. Minimization converged after 174 steps. Minimization converged after 191 steps. Minimization converged after 67 steps. Minimization converged after 104 steps. Minimization converged after 97 steps. Minimization converged after 120 steps. Minimization converged after 61 steps. Minimization converged after 123 steps. Minimization converged after 88 steps. Minimization converged after 84 steps. Minimization converged after 116 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 4.90522701e-07 2.45865959e-06 8.20187894e-07] [-4.17151364e-06 1.96747263e-07 5.40252869e-06] [-1.94513793e-06 -4.31703695e-07 -1.81607794e-06] [ 4.58160248e-06 -5.39457234e-06 -4.66239927e-06] [ 3.69265753e-07 4.67309415e-06 -1.22809357e-05] [-3.41481720e-07 9.82794403e-07 2.50529374e-06] [ 4.91782188e-06 6.72441178e-07 -2.22319843e-06] [-1.22080033e-06 1.06359026e-06 7.63367977e-07] [-2.65421902e-06 5.98664674e-06 -7.14773816e-07] [ 8.53028852e-07 -1.47754589e-06 -9.29345806e-07] [-2.67951802e-06 5.96330461e-06 -8.71306537e-07] [ 1.01504972e-06 8.13683438e-06 5.60175542e-06] [ 8.55404413e-06 -3.65801303e-06 6.97875195e-06] [-4.13024774e-06 5.92762906e-07 -5.33821104e-06] [ 5.04349683e-06 -4.21889931e-07 1.41601212e-06] [ 1.47449573e-06 -6.86178695e-07 7.36224375e-06] [-1.00519771e-06 -1.25688388e-06 1.77827782e-06] [-1.85969898e-06 -5.25775974e-07 -6.70060176e-07] [-6.08689503e-07 7.70806033e-07 -2.32859570e-06] [ 5.47178712e-06 -6.29587941e-07 2.11369636e-06] [ 8.06100312e-06 9.71415559e-06 2.61495291e-06] [-2.72952319e-06 -5.97135175e-06 4.87289074e-06] [ 4.92009591e-07 3.14379900e-06 -5.00956057e-06] [ 3.51690704e-06 -8.96018118e-06 4.59379943e-06] [-1.03105788e-06 -1.90006254e-06 4.75197332e-06] [ 1.96631254e-06 -1.89424809e-06 -3.02299081e-06] [ 7.96435709e-06 -6.33220407e-06 8.46411497e-06] [ 6.27123156e-06 2.68842030e-06 2.67584527e-06] [ 5.83215074e-06 -3.55150604e-06 -7.84436073e-07] [ 1.39905785e-06 -1.92885906e-06 1.62787874e-06] [ 1.13066901e-06 -1.10862173e-06 1.72529175e-06] [-2.60426669e-06 -1.99189133e-06 -3.05128653e-06] [ 1.97628175e-06 -5.15233829e-06 2.36323794e-06] [ 8.71842328e-06 -2.62974357e-06 7.39200679e-06] [ 1.15924904e-06 -8.48781206e-06 4.47804928e-07] [ 5.22851598e-06 -9.02333845e-06 -3.26999552e-06] [-1.23932583e-06 -8.40511368e-06 -7.46911690e-08] [-9.75388180e-07 -1.30749210e-05 -1.20794355e-05] [-1.01286807e-05 5.11472932e-06 -9.80748448e-07] [-6.88723425e-06 -1.08331511e-05 -7.86469179e-06] [-3.09888448e-06 -7.01897530e-06 -2.97270546e-06] [-2.42913790e-06 -2.45477529e-06 -3.17905596e-06] [-5.43050306e-06 1.16787420e-06 2.19196321e-06] [-1.17095401e-06 -6.26665469e-06 2.78647735e-06] [ 4.17702973e-08 3.51582395e-06 -9.81423312e-06] [ 4.97560894e-06 2.08859357e-05 1.12429906e-05] [-8.91883406e-06 -1.91098002e-07 -6.96263196e-06] [-1.30430569e-06 8.65049346e-06 7.50129791e-06] [-5.42745190e-06 2.16797459e-06 -1.28765108e-07] [-1.09653416e-06 6.67143786e-06 -4.31292660e-06] [-6.62063010e-07 -9.98325956e-07 3.20267644e-06] [ 2.90454268e-06 5.64766932e-06 -8.36937051e-06] [-1.76348162e-06 9.61087203e-06 6.92959736e-06] [-5.35968325e-06 1.14033071e-05 1.59266858e-06] [-1.85062821e-06 5.62192284e-07 -4.52654730e-06] [-9.68476311e-06 2.14958323e-07 -3.48060713e-06]] Final stress: [-3.25117405e-02 4.38909836e-03 4.38020430e-02 7.67440723e-08 6.19423146e-02 1.21821689e-07] Minimization converged after 81 steps. Minimization converged after 178 steps. Minimization converged after 92 steps. Minimization converged after 136 steps. Minimization converged after 120 steps. Minimization converged after 90 steps. Minimization converged after 111 steps. Minimization converged after 75 steps. Minimization converged after 123 steps. Minimization converged after 122 steps. Minimization converged after 183 steps. Minimization converged after 103 steps. Minimization converged after 105 steps. Minimization converged after 155 steps. Minimization converged after 92 steps. Minimization converged after 110 steps. Minimization converged after 177 steps. Minimization converged after 90 steps. Minimization converged after 84 steps. Minimization converged after 74 steps. Minimization converged after 83 steps. Minimization converged after 142 steps. Minimization converged after 99 steps. Minimization converged after 97 steps. Minimization converged after 120 steps. Minimization converged after 68 steps. Minimization converged after 80 steps. Minimization converged after 91 steps. Minimization converged after 88 steps. Minimization converged after 116 steps. Minimization converged after 186 steps. Minimization converged after 143 steps. Minimization converged after 119 steps. Minimization converged after 89 steps. Minimization converged after 99 steps. Minimization converged after 127 steps. Minimization converged after 91 steps. Minimization converged after 94 steps. Minimization converged after 96 steps. Minimization converged after 99 steps. Minimization converged after 139 steps. Minimization converged after 99 steps. Minimization converged after 127 steps. Minimization converged after 74 steps. Minimization converged after 89 steps. Minimization converged after 108 steps. Minimization converged after 105 steps. Minimization converged after 101 steps. Minimization converged after 100 steps. Minimization converged after 67 steps. Minimization converged after 66 steps. Minimization converged after 115 steps. Minimization converged after 108 steps. Minimization converged after 134 steps. Minimization converged after 130 steps. Minimization converged after 112 steps. Minimization converged after 104 steps. Minimization converged after 103 steps. Minimization converged after 104 steps. Minimization converged after 86 steps. Minimization converged after 99 steps. Minimization converged after 127 steps. Minimization converged after 103 steps. Minimization converged after 132 steps. Minimization converged after 69 steps. Minimization converged after 88 steps. Minimization converged after 130 steps. Minimization converged after 99 steps. Minimization converged after 82 steps. Minimization converged after 87 steps. Minimization converged after 184 steps. Minimization converged after 65 steps. Minimization converged after 91 steps. Minimization converged after 88 steps. Minimization converged after 99 steps. Minimization converged after 109 steps. Minimization converged after 123 steps. Minimization converged after 98 steps. Minimization converged after 138 steps. Minimization converged after 104 steps. Minimization converged after 82 steps. Minimization converged after 157 steps. Minimization converged after 139 steps. Minimization converged after 68 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 2.98815220e-06 7.41487456e-08 -2.14561125e-06] [ 5.73513327e-07 1.83306844e-06 -7.36503923e-07] [-2.33672520e-06 1.23479672e-07 -1.19795784e-06] [-7.59803485e-07 -3.34987518e-07 1.53066896e-06] [-5.28327419e-07 -6.90458694e-07 2.40272129e-07] [ 2.04401693e-06 1.14396554e-06 -1.81828216e-06] [ 1.10742442e-06 3.25221375e-07 1.59412501e-06] [ 2.05641486e-07 -9.12150385e-07 3.67898509e-06] [-1.27722089e-06 1.07745577e-06 1.15489854e-07] [-5.98259767e-07 1.69489908e-06 -4.23086423e-06] [-1.97303021e-06 2.46114460e-06 -2.24934936e-07] [ 1.42163968e-06 -3.03994764e-06 1.04801549e-08] [-2.07343956e-08 -1.66860225e-06 -1.41355411e-06] [-8.30015712e-07 -2.83444528e-06 5.26960500e-07] [-5.22651285e-06 2.61652735e-06 1.46436779e-07] [-2.13756346e-06 8.20674607e-07 -5.11189331e-07] [-4.37030674e-08 1.72592053e-07 1.45780092e-06] [ 1.21085355e-06 1.44151669e-08 1.23519392e-07] [ 1.44065971e-06 -1.29746144e-07 7.13745644e-07] [-1.14377253e-06 -6.61503004e-07 -9.35913310e-07] [ 3.74149936e-06 -2.54561846e-06 8.97267704e-07] [-3.58068117e-07 2.36502271e-06 1.20661179e-05] [ 1.18103768e-07 -2.67132208e-06 -3.42978043e-06] [-4.95633100e-07 4.70656072e-07 3.41026519e-06] [ 9.94774321e-07 -4.71679513e-07 2.27559192e-06] [ 1.75268725e-06 -5.60760046e-06 -5.20488241e-06] [ 6.59723933e-07 -1.59112797e-06 -5.08248712e-07] [-1.27962436e-06 -3.07542774e-06 -5.92762747e-06] [-1.23465759e-06 1.66657230e-06 5.72523865e-07] [-3.96475487e-06 -1.40094742e-06 -4.52575406e-07] [ 4.39969006e-06 -8.13607550e-07 2.07362854e-06] [ 6.59541325e-07 1.41083618e-06 6.60957998e-09] [ 2.46608296e-06 1.89419285e-06 -1.14164931e-06] [ 3.34228474e-07 -1.84299350e-06 -3.52847862e-06] [-1.59217425e-06 -2.60441790e-07 4.77918607e-06] [-1.94193896e-06 1.17271822e-06 1.93854895e-08] [-1.58785612e-06 -5.68158792e-07 -2.35045996e-06] [ 3.29551111e-07 -3.70414519e-06 7.94403029e-07] [-1.69314731e-06 -1.81454538e-06 -1.37402747e-06] [ 4.45052780e-06 2.14345978e-06 1.06631013e-06] [ 3.12216308e-06 -3.42541217e-06 1.68162520e-07] [ 7.90918729e-07 -7.67107563e-07 1.48815584e-06] [-2.36020009e-06 -5.68868256e-06 -2.57341903e-06] [ 2.79308463e-07 -4.58393974e-07 6.71586954e-07] [-4.46542594e-07 1.23210733e-06 -6.82942253e-06] [ 9.60039431e-07 5.31623966e-06 4.61035760e-06] [ 4.88319903e-06 1.51769953e-06 -6.06651468e-06] [ 3.37818142e-06 5.57671900e-06 4.78891516e-06] [-8.89267403e-07 3.46711385e-06 -1.51403044e-06] [ 2.52628850e-06 2.97490180e-06 -5.17037392e-06] [-2.67048769e-06 4.58690921e-06 2.04587724e-06] [ 1.78233097e-06 6.06357479e-07 -5.98763042e-07] [-3.99262842e-06 -2.43479106e-06 7.99957081e-06] [-2.90229385e-06 7.07857370e-07 -4.19048282e-06] [-9.05717421e-07 3.91368599e-06 8.20226828e-06] [-3.43008018e-06 -3.96679754e-06 -3.99912096e-06]] Final stress: [-3.25059119e-02 4.37700105e-03 4.37439793e-02 2.59125326e-06 6.19666945e-02 -1.33859059e-05] Minimization converged after 120 steps. Minimization converged after 167 steps. Minimization converged after 89 steps. Minimization converged after 83 steps. Minimization converged after 132 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 160 steps. Minimization converged after 97 steps. Minimization converged after 71 steps. Minimization converged after 120 steps. Minimization converged after 181 steps. Minimization converged after 100 steps. Minimization converged after 85 steps. Minimization converged after 171 steps. Minimization converged after 152 steps. Minimization converged after 124 steps. Minimization converged after 174 steps. Minimization converged after 88 steps. Minimization converged after 109 steps. Minimization converged after 119 steps. Minimization converged after 89 steps. Minimization converged after 150 steps. Minimization converged after 171 steps. Minimization converged after 92 steps. Minimization converged after 96 steps. Minimization converged after 108 steps. Minimization converged after 91 steps. Minimization converged after 79 steps. Minimization converged after 72 steps. Minimization converged after 88 steps. Minimization converged after 63 steps. Minimization converged after 77 steps. Minimization converged after 55 steps. Minimization converged after 104 steps. Minimization converged after 102 steps. Minimization converged after 71 steps. Minimization converged after 125 steps. Minimization converged after 196 steps. Minimization converged after 109 steps. Minimization converged after 97 steps. Minimization converged after 194 steps. Minimization converged after 112 steps. Minimization converged after 83 steps. Minimization converged after 102 steps. Minimization converged after 130 steps. Minimization converged after 116 steps. Minimization converged after 151 steps. Minimization converged after 85 steps. Minimization converged after 80 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]: [[216.72652 119.71521 64.63664 -0.00044 28.14797 0.0001 ] [119.71521 197.48825 79.38072 0.00006 -17.9891 -0.00001] [ 64.63664 79.38072 188.00461 0.00002 -57.68467 -0.00003] [ -0.00044 0.00006 0.00002 70.14944 -0. -6.1173 ] [ 28.14797 -17.9891 -57.68467 -0. 36.00283 -0.00001] [ 0.0001 -0.00001 -0.00003 -6.1173 -0.00001 30.19185]] 95%% Error estimate [ASE units]: [[0.00079 0.00067 0.00076 0.00049 0.00052 0.00018] [0.00067 0.00037 0.00066 0.00021 0.00007 0.00053] [0.00076 0.00066 0.00038 0.0003 0.00023 0.00004] [0.00049 0.00021 0.0003 0.00019 0.00049 0.00033] [0.00052 0.00007 0.00023 0.00049 0.0001 0.00147] [0.00018 0.00053 0.00004 0.00033 0.00147 0.00023]] Maximum deviation from material symmetry [ASE units]: 0.000441 R E S U L T S Elastic constants [GPa]: [[34723.41688 19180.49099 10355.93164 -0.07072 4509.80127 0.01633] [19180.49099 31641.10509 12718.19321 0.00967 -2882.17121 -0.00229] [10355.93164 12718.19321 30121.65964 0.00383 -9242.10289 -0.0049 ] [ -0.07072 0.00967 0.00383 11239.17957 -0.00009 -980.09936] [ 4509.80127 -2882.17121 -9242.10289 -0.00009 5768.28927 -0.00161] [ 0.01633 -0.00229 -0.0049 -980.09936 -0.00161 4837.26834]] 95 %% Error estimate [GPa]: [[0.12671 0.10804 0.12211 0.07899 0.08261 0.02862] [0.10804 0.05882 0.10531 0.03359 0.01199 0.08416] [0.12211 0.10531 0.06099 0.04854 0.03649 0.00614] [0.07899 0.03359 0.04854 0.03075 0.07863 0.05295] [0.08261 0.01199 0.03649 0.07863 0.01616 0.23494] [0.02862 0.08416 0.00614 0.05295 0.23494 0.03764]] Maximum deviation from material symmetry [GPa] = 0.07072 Bulk modulus [GPa] = 10065.06560 Unique elastic constants for space group 14 [GPa] ['c11', 'c12', 'c13', 'c15', 'c22', 'c23', 'c25', 'c33', 'c35', 'c44', 'c46', 'c55', 'c66'] [34723.416875557275, 19180.490985420867, 10355.931644287217, 4509.80127113128, 31641.105089124787, 12718.193206867783, -2882.17120679754, 30121.659641430873, -9242.102894241872, 11239.179573856203, -980.0993561540873, 5768.289268325252, 4837.268338852481] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 2.86205 Isotropic bulk modulus [GPa] = 19092.82558 Isotropic shear modulus [GPa] = 4906.93825