Model name? LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 Stoichiometric species (literal list of strings)? ['O', 'Si'] Prototype label? A2B_aP48_2_16i_8i 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': 6.647100000000001e-10, 'parameter-names.source-value': ['b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'], 'parameter-values.source-value': [0.98806999, 0.64953137, 99.1938, 98.6626, 112.1586, 0.12771375, 0.9681878, 0.92316105, 0.4368406, 0.55623815, 0.37968132, 0.3729468, 0.25330681, 0.9481605, 0.0156349, 0.94835308, 0.14411733, 0.044995833, 0.43749872, 0.56954436, 0.17566025, 0.1289163, 0.77432519, 0.53369621, 0.81570245, 0.8223044, 0.52190947, 0.61939831, 0.68339833, 0.47934255, 0.72355291, 0.22878396, 0.066081231, 0.66160878, 0.23844711, 0.58044479, 0.77257223, 0.52921563, 0.5240936, 0.10850078, 0.52534312, 0.37115286, 0.78741582, 0.98982486, 0.56841917, 0.53209491, 0.9143553, 0.42872074, 0.62706152, 0.91795555, 0.078224123, 0.26317305, 0.86326547, 0.29479266, 0.37588588, 0.66725305, 0.20160799, 0.21820469, 0.19453895, 0.27963526, 0.66805278, 0.55722608, 0.72173302, 0.062222524, 0.7478377, 0.93202607, 0.31133508, 0.15882547, 0.21314229, 0.52824574, 0.078620998, 0.62451242, 0.99924351, 0.20275134, 0.96036121, 0.13189083, 0.48287886], 'meta.uuid': 'TE_273446210186_002-and-MO_959249795837_003-1711747823-tr'}, {'instance-id': 4, 'a.si-value': 5.4951e-10, 'parameter-names.source-value': ['b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'], 'parameter-values.source-value': [1.42547, 0.80098633, 99.126, 110.499, 101.0586, 0.63079067, 0.028377724, 0.91871435, 0.45891048, 0.56629861, 0.43088495, 0.62999825, 0.56814137, 0.2718612, 0.40000854, 0.48740557, 0.03999459, 0.5301514, 0.90090703, 0.65325656, 0.99452759, 0.57896376, 0.051405551, 0.19455058, 0.65053724, 0.9809793, 0.17434882, 0.48935431, 0.82242281, 0.026006828, 0.087283783, 0.50665387, 0.76789618, 0.46569714, 0.85417808, 0.46183431, 0.88122292, 0.89813857, 0.44260193, 0.65573148, 0.19366279, 0.66408857, 0.59106066, 0.7492608, 0.60982783, 0.19295454, 0.87653312, 0.71115385, 0.88226654, 0.92964975, 0.4071506, 0.93735569, 0.37344434, 0.41622733, 0.65860919, 0.80142245, 0.11492687, 0.80734786, 0.78258222, 0.70320884, 0.76429575, 0.56487604, 0.24096318, 0.73727289, 0.38207769, 0.81684461, 0.72485541, 0.14907093, 0.11039605, 0.45134972, 0.39467733, 0.90511596, 0.041213974, 0.80035444, 0.68724975, 0.96642711, 0.29850606], 'meta.uuid': 'TE_273446210186_002-and-MO_959249795837_003-1711747823-tr'}, {'instance-id': 6, 'a.si-value': 6.9171e-10, 'parameter-names.source-value': ['b/a', 'c/a', 'alpha', 'beta', 'gamma', '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', 'x15', 'y15', 'z15', 'x16', 'y16', 'z16', 'x17', 'y17', 'z17', 'x18', 'y18', 'z18', 'x19', 'y19', 'z19', 'x20', 'y20', 'z20', 'x21', 'y21', 'z21', 'x22', 'y22', 'z22', 'x23', 'y23', 'z23', 'x24', 'y24', 'z24'], 'parameter-values.source-value': [0.46714664, 1.1002299, 79.2225, 101.8257, 84.7373, 0.4450407, 0.86421986, 0.045418079, 0.15312384, 0.96403075, 0.52763333, 0.99715205, 0.80296644, 0.86350117, 0.18664016, 0.10483029, 0.67901937, 0.44744338, 0.1731464, 0.43722592, 0.031368183, 0.08472194, 0.74020379, 0.64306492, 0.088382944, 0.46727575, 0.56149189, 0.44675179, 0.35948116, 0.2827987, 0.76065336, 0.66825463, 0.70642713, 0.62349399, 0.26479196, 0.82484063, 0.76315473, 0.16709067, 0.45043525, 0.47741464, 0.83126618, 0.5543952, 0.33615967, 0.5583216, 0.36620923, 0.17077366, 0.90216677, 0.54586358, 0.64697471, 0.96172467, 0.0014669927, 0.16236759, 0.56616949, 0.043319137, 0.61511688, 0.65879814, 0.3341048, 0.5445778, 0.22983741, 0.25472928, 0.71216496, 0.88986406, 0.24239011, 0.44105469, 0.50005664, 0.4765901, 0.00520467, 0.74028877, 0.95382243, 0.30374745, 0.9027887, 0.23506827, 0.15072367, 0.062840684, 0.20703655, 0.019688827, 0.32335357], 'meta.uuid': 'TE_273446210186_002-and-MO_959249795837_003-1711747823-tr'}] Runtime arguments (literal dictonary)? {} ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.12771375 0.9681878 0.92316105] [0.4368406 0.55623815 0.37968132] [0.3729468 0.25330681 0.9481605 ] [0.0156349 0.94835308 0.14411733] [0.04499583 0.43749872 0.56954436] [0.17566025 0.1289163 0.77432519] [0.53369621 0.81570245 0.8223044 ] [0.52190947 0.61939831 0.68339833] [0.47934255 0.72355291 0.22878396] [0.06608123 0.66160878 0.23844711] [0.58044479 0.77257223 0.52921563] [0.5240936 0.10850078 0.52534312] [0.37115286 0.78741582 0.98982486] [0.56841917 0.53209491 0.9143553 ] [0.42872074 0.62706152 0.91795555] [0.07822412 0.26317305 0.86326547] [0.29479266 0.37588588 0.66725305] [0.20160799 0.21820469 0.19453895] [0.27963526 0.66805278 0.55722608] [0.72173302 0.06222252 0.7478377 ] [0.93202607 0.31133508 0.15882547] [0.21314229 0.52824574 0.078621 ] [0.62451242 0.99924351 0.20275134] [0.96036121 0.13189083 0.48287886]] spacegroup = 2 cell = [[6.6471, 0, 0], [-2.4771881950329, 6.0827243473948, 0], [-0.65028261803822, -1.0096644521448, 4.1471094102703]] ========================================= 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 24 steps. Minimization converged after 56 steps. Minimization converged after 56 steps. Minimization converged after 82 steps. Minimization converged after 33 steps. Minimization converged after 52 steps. Minimization converged after 150 steps. Minimization converged after 66 steps. Minimization converged after 74 steps. Minimization converged after 80 steps. Minimization converged after 44 steps. Minimization converged after 75 steps. Minimization converged after 56 steps. Minimization converged after 64 steps. Minimization converged after 87 steps. Minimization converged after 76 steps. Minimization converged after 34 steps. Minimization converged after 89 steps. Minimization converged after 62 steps. Minimization converged after 33 steps. Minimization converged after 68 steps. Minimization converged after 51 steps. Minimization converged after 34 steps. Minimization converged after 87 steps. Minimization converged after 35 steps. Minimization converged after 103 steps. Minimization converged after 33 steps. Minimization converged after 88 steps. Minimization converged after 151 steps. Minimization converged after 34 steps. Minimization converged after 53 steps. Minimization converged after 34 steps. Minimization converged after 102 steps. Minimization converged after 66 steps. Minimization converged after 54 steps. Minimization converged after 33 steps. Minimization converged after 35 steps. Minimization converged after 58 steps. Minimization converged after 101 steps. Minimization converged after 34 steps. Minimization converged after 33 steps. Minimization converged after 54 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 101 steps. Minimization converged after 66 steps. Minimization converged after 84 steps. Minimization converged after 34 steps. Minimization converged after 33 steps. Minimization converged after 33 steps. Minimization converged after 87 steps. Minimization converged after 90 steps. Minimization converged after 34 steps. Minimization converged after 33 steps. Minimization converged after 53 steps. Minimization converged after 35 steps. Minimization converged after 72 steps. Minimization converged after 34 steps. Minimization converged after 56 steps. Minimization converged after 97 steps. Minimization converged after 63 steps. Minimization converged after 35 steps. Minimization converged after 34 steps. Minimization converged after 77 steps. Minimization converged after 110 steps. Minimization converged after 49 steps. Minimization converged after 35 steps. Minimization converged after 90 steps. Minimization converged after 67 steps. Minimization converged after 38 steps. Minimization converged after 168 steps. Minimization converged after 58 steps. Minimization converged after 55 steps. Minimization converged after 61 steps. Minimization converged after 64 steps. Minimization converged after 58 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 62 steps. Minimization converged after 49 steps. Minimization converged after 29 steps. Minimization converged after 127 steps. Minimization converged after 112 steps. Minimization converged after 33 steps. Minimization converged after 138 steps. Minimization converged after 118 steps. Minimization converged after 47 steps. Minimization converged after 92 steps. Minimization converged after 91 steps. Minimization converged after 53 steps. Minimization converged after 83 steps. Minimization converged after 58 steps. Minimization converged after 89 steps. Minimization converged after 58 steps. Minimization converged after 82 steps. Minimization converged after 148 steps. Minimization converged after 65 steps. Minimization converged after 72 steps. Minimization converged after 94 steps. Minimization converged after 58 steps. Minimization converged after 29 steps. Minimization converged after 33 steps. Minimization converged after 50 steps. Minimization converged after 58 steps. Minimization converged after 61 steps. Minimization converged after 74 steps. Minimization converged after 63 steps. Minimization converged after 61 steps. Minimization converged after 61 steps. Minimization converged after 68 steps. Minimization converged after 33 steps. Minimization converged after 120 steps. Minimization converged after 34 steps. Minimization converged after 164 steps. Minimization converged after 110 steps. Minimization converged after 55 steps. Minimization converged after 51 steps. Minimization converged after 92 steps. Minimization converged after 147 steps. Minimization converged after 113 steps. Minimization converged after 33 steps. Minimization converged after 32 steps. Minimization converged after 76 steps. Minimization converged after 38 steps. Minimization converged after 122 steps. Minimization converged after 48 steps. Minimization converged after 78 steps. Minimization converged after 81 steps. Minimization converged after 73 steps. Minimization converged after 36 steps. Minimization converged after 50 steps. Minimization converged after 125 steps. Minimization converged after 39 steps. Minimization converged after 76 steps. Minimization converged after 59 steps. Minimization converged after 66 steps. Minimization converged after 83 steps. Minimization converged after 162 steps. Minimization converged after 77 steps. Minimization converged after 33 steps. Minimization converged after 67 steps. Minimization converged after 33 steps. Minimization converged after 70 steps. Minimization converged after 99 steps. Minimization converged after 33 steps. Minimization converged after 143 steps. Minimization converged after 28 steps. Minimization converged after 30 steps. Minimization converged after 76 steps. Minimization converged after 54 steps. Minimization converged after 57 steps. Minimization converged after 98 steps. Minimization converged after 77 steps. Minimization converged after 28 steps. Minimization converged after 135 steps. Minimization converged after 47 steps. Minimization converged after 62 steps. Minimization converged after 40 steps. Minimization converged after 193 steps. Minimization converged after 72 steps. Minimization converged after 32 steps. Minimization converged after 33 steps. Minimization converged after 38 steps. Minimization converged after 55 steps. Minimization converged after 73 steps. Minimization converged after 116 steps. Minimization converged after 78 steps. Minimization converged after 64 steps. Minimization converged after 65 steps. Minimization converged after 41 steps. Minimization converged after 45 steps. Minimization converged after 73 steps. Minimization converged after 28 steps. Minimization converged after 32 steps. Minimization converged after 73 steps. Minimization converged after 178 steps. Minimization converged after 67 steps. Minimization converged after 99 steps. Minimization converged after 31 steps. Minimization converged after 45 steps. Minimization converged after 47 steps. Minimization converged after 86 steps. Minimization converged after 58 steps. Minimization converged after 47 steps. Minimization converged after 77 steps. Minimization converged after 30 steps. Minimization converged after 101 steps. Minimization converged after 33 steps. Minimization converged after 97 steps. Minimization converged after 83 steps. Minimization converged after 56 steps. Minimization converged after 74 steps. Minimization converged after 98 steps. Minimization converged after 82 steps. Minimization converged after 74 steps. Minimization converged after 57 steps. Minimization converged after 96 steps. Minimization converged after 44 steps. Minimization converged after 32 steps. Minimization converged after 58 steps. Minimization converged after 104 steps. Minimization converged after 80 steps. Minimization converged after 138 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-2.16194322e-06 5.99054127e-06 -1.76860540e-06] [ 2.37590612e-07 5.05193107e-07 1.10606476e-06] [-1.55028327e-06 4.36360421e-06 3.73936744e-06] [ 5.20720893e-07 -4.96146784e-06 -3.68023636e-06] [ 3.25926380e-06 3.45024365e-06 5.50058176e-06] [-1.15124071e-05 -1.00907246e-05 -8.78910841e-06] [-5.25545484e-06 -7.14367283e-06 6.00747308e-07] [ 2.23822486e-06 2.07975279e-06 -1.61727342e-06] [ 1.35976537e-06 -1.85898784e-06 1.45754087e-06] [-4.02775771e-07 3.31242941e-06 -2.94900828e-06] [ 7.99352048e-08 -3.32812182e-06 -7.54115256e-07] [ 6.23903533e-06 -3.67584348e-07 4.99875386e-06] [-4.54853285e-07 -4.81361423e-06 -5.52632395e-06] [-2.33383731e-06 5.20703675e-06 5.78426921e-06] [-3.84566720e-06 3.16431406e-06 1.50913658e-06] [ 1.13460154e-06 -1.10701391e-05 3.45097512e-06] [-7.64930496e-07 -2.40835252e-06 4.13972549e-07] [ 6.92105066e-07 2.04520846e-06 5.37362698e-07] [ 1.37579395e-06 -4.54206454e-06 1.85966726e-06] [-3.07283402e-06 2.41885470e-06 -1.04935799e-06] [ 1.52263225e-06 -1.60400591e-06 3.14017146e-06] [ 1.62527886e-06 2.34569034e-06 -3.71156760e-06] [-4.99910292e-06 1.73598452e-07 -1.04894296e-06] [-4.67940442e-07 6.12150816e-07 1.24114147e-07] [ 1.90320505e-06 -2.55760588e-06 -3.79737171e-06] [ 9.43841219e-07 1.89387048e-06 2.66648835e-06] [ 2.19394009e-06 3.30933191e-06 1.49388887e-06] [-1.21684395e-06 -1.30480742e-06 -5.18715339e-06] [ 1.12520629e-05 1.03976169e-05 2.96161134e-06] [-5.63770462e-06 -2.70461313e-06 -9.61801982e-07] [ 1.70410580e-06 -5.01819446e-06 9.06803696e-08] [-2.24085409e-06 5.65834377e-06 8.90083753e-07] [ 1.60928410e-06 3.07137356e-06 -1.17580956e-06] [ 2.27362695e-06 -1.61780660e-07 3.17953731e-07] [ 7.70614337e-06 2.76122027e-06 -4.93492500e-06] [-2.25048586e-06 2.50439734e-06 -1.09416897e-06] [ 4.71663384e-06 6.56905529e-07 3.43637852e-06] [-2.52172626e-06 2.51067317e-06 -1.95178823e-06] [ 4.44790712e-06 -2.06489525e-06 -6.07569257e-06] [ 2.66791576e-07 3.09566150e-06 5.99851298e-06] [-4.17110025e-06 5.38891981e-06 -1.94243169e-06] [ 4.92101579e-06 -5.46946574e-06 7.69688883e-08] [-4.99603339e-06 1.98996670e-06 9.64577315e-08] [-9.26605929e-07 -4.95231453e-06 9.12058544e-07] [ 3.24297686e-06 2.70460577e-06 2.93732437e-06] [-2.90536612e-06 -3.44810008e-06 -4.66277893e-06] [-2.03676197e-06 -7.80032883e-06 6.28268507e-06] [-1.74097005e-06 6.05933691e-06 2.94644173e-07]] Final stress: [ 2.29350044e-08 -8.61076237e-04 -1.42130560e-04 -9.67722277e-04 1.68987848e-03 3.76539590e-04] Minimization converged after 126 steps. Minimization converged after 60 steps. Minimization converged after 35 steps. Minimization converged after 113 steps. Minimization converged after 80 steps. Minimization converged after 33 steps. Minimization converged after 85 steps. Minimization converged after 62 steps. Minimization converged after 49 steps. Minimization converged after 39 steps. Minimization converged after 34 steps. Minimization converged after 55 steps. Minimization converged after 74 steps. Minimization converged after 167 steps. Minimization converged after 73 steps. Minimization converged after 68 steps. Minimization converged after 65 steps. Minimization converged after 70 steps. Minimization converged after 81 steps. Minimization converged after 87 steps. Minimization converged after 129 steps. Minimization converged after 27 steps. Minimization converged after 28 steps. Minimization converged after 57 steps. Minimization converged after 59 steps. Minimization converged after 31 steps. Minimization converged after 58 steps. Minimization converged after 45 steps. Minimization converged after 95 steps. Minimization converged after 70 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 47 steps. Minimization converged after 28 steps. Minimization converged after 64 steps. Minimization converged after 62 steps. Minimization converged after 48 steps. Minimization converged after 75 steps. Minimization converged after 55 steps. Minimization converged after 91 steps. Minimization converged after 27 steps. Minimization converged after 103 steps. Minimization converged after 104 steps. Minimization converged after 29 steps. Minimization converged after 32 steps. Minimization converged after 65 steps. Minimization converged after 31 steps. Minimization converged after 67 steps. Minimization converged after 56 steps. Minimization converged after 101 steps. Minimization converged after 163 steps. Minimization converged after 145 steps. Minimization converged after 33 steps. Minimization converged after 71 steps. Minimization converged after 56 steps. Minimization converged after 88 steps. Minimization converged after 93 steps. Minimization converged after 73 steps. Minimization converged after 98 steps. Minimization converged after 93 steps. Minimization converged after 67 steps. Minimization converged after 76 steps. Minimization converged after 144 steps. Minimization converged after 81 steps. Minimization converged after 145 steps. Minimization converged after 65 steps. Minimization converged after 81 steps. Minimization converged after 79 steps. Minimization converged after 157 steps. Minimization converged after 73 steps. Minimization converged after 34 steps. Minimization converged after 176 steps. Minimization converged after 63 steps. Minimization converged after 59 steps. Minimization converged after 31 steps. Minimization converged after 75 steps. Minimization converged after 35 steps. Minimization converged after 73 steps. Minimization converged after 32 steps. Minimization converged after 73 steps. Minimization converged after 102 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 32 steps. Minimization converged after 160 steps. Minimization converged after 68 steps. Minimization converged after 27 steps. Minimization converged after 90 steps. Minimization converged after 26 steps. Minimization converged after 60 steps. Minimization converged after 54 steps. Minimization converged after 36 steps. Minimization converged after 26 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 78 steps. Minimization converged after 97 steps. Minimization converged after 82 steps. Minimization converged after 27 steps. Minimization converged after 49 steps. Minimization converged after 28 steps. Minimization converged after 53 steps. Minimization converged after 61 steps. Minimization converged after 72 steps. Minimization converged after 88 steps. Minimization converged after 58 steps. Minimization converged after 75 steps. Minimization converged after 28 steps. Minimization converged after 27 steps. Minimization converged after 27 steps. Minimization converged after 132 steps. Minimization converged after 32 steps. Minimization converged after 58 steps. Minimization converged after 28 steps. Minimization converged after 47 steps. Minimization converged after 28 steps. Minimization converged after 48 steps. Minimization converged after 116 steps. Minimization converged after 89 steps. Minimization converged after 52 steps. Minimization converged after 55 steps. Minimization converged after 24 steps. Minimization converged after 31 steps. Minimization converged after 129 steps. Minimization converged after 76 steps. Minimization converged after 63 steps. Minimization converged after 93 steps. Minimization converged after 98 steps. Minimization converged after 28 steps. Minimization converged after 65 steps. Minimization converged after 95 steps. Minimization converged after 83 steps. Minimization converged after 33 steps. Minimization converged after 28 steps. Minimization converged after 53 steps. Minimization converged after 87 steps. Minimization converged after 39 steps. Minimization converged after 66 steps. Minimization converged after 43 steps. Minimization converged after 85 steps. Minimization converged after 39 steps. Minimization converged after 32 steps. Minimization converged after 176 steps. Minimization converged after 102 steps. Minimization converged after 76 steps. Minimization converged after 57 steps. Minimization converged after 34 steps. Minimization converged after 81 steps. Minimization converged after 28 steps. Minimization converged after 67 steps. Minimization converged after 76 steps. Minimization converged after 75 steps. Minimization converged after 84 steps. Minimization converged after 32 steps. Minimization converged after 82 steps. Minimization converged after 29 steps. Minimization converged after 61 steps. Minimization converged after 54 steps. Minimization converged after 102 steps. Minimization converged after 99 steps. Minimization converged after 75 steps. Minimization converged after 27 steps. Minimization converged after 38 steps. Minimization converged after 71 steps. Minimization converged after 123 steps. Minimization converged after 45 steps. Minimization converged after 66 steps. Minimization converged after 45 steps. Minimization converged after 63 steps. Minimization converged after 63 steps. Minimization converged after 90 steps. Minimization converged after 52 steps. Minimization converged after 27 steps. Minimization converged after 31 steps. Minimization converged after 59 steps. Minimization converged after 23 steps. Minimization converged after 92 steps. Minimization converged after 55 steps. Minimization converged after 93 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 73 steps. Minimization converged after 24 steps. Minimization converged after 73 steps. Minimization converged after 66 steps. Minimization converged after 73 steps. Minimization converged after 26 steps. Minimization converged after 29 steps. Minimization converged after 100 steps. Minimization converged after 94 steps. Minimization converged after 69 steps. Minimization converged after 61 steps. Minimization converged after 21 steps. Minimization converged after 165 steps. Minimization converged after 76 steps. Minimization converged after 55 steps. Minimization converged after 72 steps. Minimization converged after 118 steps. Minimization converged after 69 steps. Minimization converged after 73 steps. Minimization converged after 66 steps. Minimization converged after 125 steps. Minimization converged after 70 steps. Minimization converged after 29 steps. Minimization converged after 63 steps. Minimization converged after 44 steps. Minimization converged after 41 steps. Minimization converged after 27 steps. Minimization converged after 119 steps. Minimization converged after 90 steps. Minimization converged after 87 steps. Minimization converged after 72 steps. Minimization converged after 26 steps. Minimization converged after 28 steps. Minimization converged after 63 steps. Minimization converged after 64 steps. Minimization converged after 27 steps. Minimization converged after 87 steps. Minimization converged after 82 steps. Minimization converged after 27 steps. Minimization converged after 79 steps. Minimization converged after 52 steps. Minimization converged after 79 steps. Minimization converged after 28 steps. Minimization converged after 45 steps. Minimization converged after 26 steps. Minimization converged after 62 steps. Minimization converged after 28 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 66 steps. Minimization converged after 66 steps. Minimization converged after 86 steps. Minimization converged after 86 steps. Minimization converged after 49 steps. Minimization converged after 82 steps. Minimization converged after 79 steps. Minimization converged after 91 steps. Minimization converged after 82 steps. Minimization converged after 84 steps. Minimization converged after 72 steps. Minimization converged after 69 steps. Minimization converged after 25 steps. Minimization converged after 66 steps. Minimization converged after 42 steps. Minimization converged after 47 steps. Minimization converged after 61 steps. Minimization converged after 33 steps. Minimization converged after 22 steps. Minimization converged after 27 steps. Minimization converged after 156 steps. Minimization converged after 81 steps. Minimization converged after 26 steps. Minimization converged after 44 steps. Minimization converged after 49 steps. Minimization converged after 100 steps. Minimization converged after 77 steps. Minimization converged after 69 steps. Minimization converged after 137 steps. Minimization converged after 25 steps. Minimization converged after 189 steps. Minimization converged after 57 steps. Minimization converged after 103 steps. Minimization converged after 25 steps. Minimization converged after 62 steps. Minimization converged after 49 steps. Minimization converged after 52 steps. Minimization converged after 99 steps. Minimization converged after 77 steps. Minimization converged after 55 steps. Minimization converged after 68 steps. Minimization converged after 26 steps. Minimization converged after 27 steps. Minimization converged after 70 steps. Minimization converged after 32 steps. Minimization converged after 75 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 77 steps. Minimization converged after 75 steps. Minimization converged after 87 steps. Minimization converged after 111 steps. Minimization converged after 126 steps. Minimization converged after 27 steps. Minimization converged after 65 steps. Minimization converged after 46 steps. Minimization converged after 149 steps. Minimization converged after 26 steps. Minimization converged after 123 steps. Minimization converged after 92 steps. Minimization converged after 25 steps. Minimization converged after 27 steps. Minimization converged after 82 steps. Minimization converged after 59 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 54 steps. Minimization converged after 81 steps. Minimization converged after 68 steps. Minimization converged after 37 steps. Minimization converged after 31 steps. Minimization converged after 75 steps. Minimization converged after 52 steps. Minimization converged after 126 steps. Minimization converged after 98 steps. Minimization converged after 87 steps. Minimization converged after 72 steps. Minimization converged after 24 steps. Minimization converged after 79 steps. Minimization converged after 56 steps. Minimization converged after 25 steps. Minimization converged after 71 steps. Minimization converged after 101 steps. Minimization converged after 84 steps. Minimization converged after 24 steps. Minimization converged after 56 steps. Minimization converged after 56 steps. Minimization converged after 52 steps. Minimization converged after 70 steps. Minimization converged after 26 steps. Minimization converged after 104 steps. Minimization converged after 27 steps. Minimization converged after 55 steps. Minimization converged after 91 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 70 steps. Minimization converged after 75 steps. Minimization converged after 52 steps. Minimization converged after 39 steps. Minimization converged after 32 steps. Minimization converged after 75 steps. Minimization converged after 71 steps. Minimization converged after 49 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 71 steps. Minimization converged after 41 steps. Minimization converged after 64 steps. Minimization converged after 68 steps. Minimization converged after 25 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 100 steps. Minimization converged after 25 steps. Minimization converged after 102 steps. Minimization converged after 26 steps. Minimization converged after 102 steps. Minimization converged after 52 steps. Minimization converged after 177 steps. Minimization converged after 54 steps. Minimization converged after 25 steps. Minimization converged after 51 steps. Minimization converged after 30 steps. Minimization converged after 56 steps. Minimization converged after 28 steps. Minimization converged after 26 steps. Minimization converged after 60 steps. Minimization converged after 64 steps. Minimization converged after 46 steps. Minimization converged after 53 steps. Minimization converged after 79 steps. Minimization converged after 38 steps. Minimization converged after 25 steps. Minimization converged after 57 steps. Minimization converged after 124 steps. Minimization converged after 91 steps. Minimization converged after 100 steps. Minimization converged after 58 steps. Minimization converged after 103 steps. Minimization converged after 60 steps. Minimization converged after 78 steps. Minimization converged after 69 steps. Minimization converged after 184 steps. Minimization converged after 66 steps. Minimization converged after 74 steps. Minimization converged after 61 steps. Minimization converged after 44 steps. Minimization converged after 73 steps. Minimization converged after 25 steps. Minimization converged after 32 steps. Minimization converged after 51 steps. Minimization converged after 44 steps. Minimization converged after 77 steps. Minimization converged after 53 steps. Minimization converged after 84 steps. Minimization converged after 64 steps. Minimization converged after 59 steps. Minimization converged after 83 steps. Minimization converged after 175 steps. Minimization converged after 87 steps. Minimization converged after 57 steps. Minimization converged after 88 steps. Minimization converged after 77 steps. Minimization converged after 24 steps. Minimization converged after 71 steps. Minimization converged after 27 steps. Minimization converged after 164 steps. Minimization converged after 44 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 95 steps. Minimization converged after 76 steps. Minimization converged after 25 steps. Minimization converged after 85 steps. Minimization converged after 24 steps. Minimization converged after 65 steps. Minimization converged after 24 steps. Minimization converged after 90 steps. Minimization converged after 92 steps. Minimization converged after 29 steps. Minimization converged after 65 steps. Minimization converged after 25 steps. Minimization converged after 75 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. Minimization converged after 93 steps. Minimization converged after 90 steps. Minimization converged after 144 steps. Minimization converged after 104 steps. Minimization converged after 24 steps. Minimization converged after 52 steps. Minimization converged after 26 steps. Minimization converged after 118 steps. Minimization converged after 75 steps. Minimization converged after 64 steps. Minimization converged after 80 steps. Minimization converged after 80 steps. Minimization converged after 25 steps. Minimization converged after 93 steps. Minimization converged after 25 steps. Minimization converged after 80 steps. Minimization converged after 26 steps. Minimization converged after 77 steps. Minimization converged after 65 steps. Minimization converged after 31 steps. Minimization converged after 83 steps. Minimization converged after 23 steps. Minimization converged after 59 steps. Minimization converged after 49 steps. Minimization converged after 119 steps. Minimization converged after 68 steps. Minimization converged after 119 steps. Minimization converged after 81 steps. Minimization converged after 71 steps. Minimization converged after 102 steps. Minimization converged after 56 steps. Minimization converged after 73 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 80 steps. Minimization converged after 25 steps. Minimization converged after 84 steps. Minimization converged after 78 steps. Minimization converged after 67 steps. Minimization converged after 71 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 1.87285161e-06 1.23676448e-06 1.24158563e-07] [-2.31778538e-06 1.07930866e-06 8.14662863e-07] [-2.59179290e-06 4.29876157e-06 3.11157513e-06] [ 1.19569709e-06 -1.49200309e-06 3.35111398e-06] [ 2.99778710e-06 -3.92806417e-06 -2.76402012e-08] [-2.16354291e-06 -1.33477299e-06 5.29903116e-07] [-1.96292757e-06 -5.32395082e-06 2.11238787e-06] [-2.71253545e-06 -6.72466530e-06 -4.05278209e-08] [-4.91654806e-07 -1.65401866e-06 3.47488379e-07] [-6.26649484e-07 -4.55991501e-07 -5.48022184e-07] [ 2.16936748e-06 1.95509950e-06 4.12347363e-07] [ 4.45814265e-06 -9.66217938e-07 -1.48616998e-06] [ 8.57669512e-07 2.06394222e-06 2.65343955e-06] [-1.79707170e-06 -1.04165568e-07 -3.43978135e-06] [-1.65864790e-06 1.49186481e-06 -3.36486102e-06] [-5.89953068e-07 -2.34935836e-06 -5.01625791e-06] [ 1.05001539e-06 -1.57031431e-06 -1.01800289e-06] [-1.21215171e-06 5.26560254e-07 -4.69618104e-07] [ 4.08378111e-06 -2.29849951e-06 3.95198116e-07] [ 3.39861758e-06 9.54581083e-07 -3.55266061e-06] [ 6.86338752e-07 -2.03352576e-06 -6.91631343e-07] [ 1.05251020e-07 -3.40313519e-06 1.67580295e-06] [-3.70562728e-06 -2.61230305e-06 -7.56196400e-07] [ 1.87832197e-06 4.21422270e-06 1.64640395e-06] [-3.29016875e-06 2.06348735e-06 2.15486941e-06] [-1.64852227e-06 9.25643079e-07 1.77443209e-06] [-3.35701070e-06 1.35764350e-06 -2.06555171e-06] [-6.83597358e-07 1.18607906e-06 2.86223892e-06] [ 2.61361127e-06 -5.81134491e-06 6.13080541e-07] [ 3.14969807e-06 -2.19817491e-06 -1.83735606e-06] [ 4.95138735e-07 6.46244565e-06 -1.32536605e-06] [-7.46251686e-06 3.40175993e-06 -5.44443294e-06] [-3.22999891e-07 2.83481339e-07 -2.35758412e-06] [-8.05874419e-08 4.59662405e-06 -3.27502217e-06] [ 5.47515304e-06 6.97836965e-07 6.22553808e-06] [ 2.42170635e-06 3.57253796e-07 7.73658199e-06] [ 1.00166407e-06 -3.02912951e-06 2.76714096e-08] [ 7.19647941e-06 -2.87930595e-07 -4.74692292e-06] [ 1.24436954e-06 -1.19113842e-06 -6.11565025e-07] [-2.52493884e-06 4.27276249e-07 -1.63045197e-06] [-6.69784789e-06 -7.29282585e-06 8.46992908e-06] [ 2.27214144e-06 -8.51884966e-06 7.46405168e-06] [-3.66903501e-07 6.38325013e-06 -5.95011446e-06] [ 6.48128635e-07 6.51925831e-06 3.60408630e-06] [ 7.34947769e-07 3.15481211e-06 1.08216121e-07] [-1.66582601e-06 2.60728613e-06 3.43885392e-07] [-3.14738583e-06 3.98762472e-06 -4.93273152e-06] [ 1.07176585e-06 2.34751241e-06 -3.97059417e-06]] Final stress: [-4.66491210e-05 1.36267061e-04 1.48026436e-04 4.23721646e-05 -3.94553545e-05 -5.17291129e-06] Minimization converged after 66 steps. Minimization converged after 121 steps. Minimization converged after 42 steps. Minimization converged after 77 steps. Minimization converged after 87 steps. Minimization converged after 34 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 70 steps. Minimization converged after 55 steps. Minimization converged after 58 steps. Minimization converged after 28 steps. Minimization converged after 24 steps. Minimization converged after 54 steps. Minimization converged after 25 steps. Minimization converged after 33 steps. Minimization converged after 24 steps. Minimization converged after 90 steps. Minimization converged after 50 steps. Minimization converged after 104 steps. Minimization converged after 53 steps. Minimization converged after 59 steps. Minimization converged after 68 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 58 steps. Minimization converged after 45 steps. Minimization converged after 40 steps. Minimization converged after 61 steps. Minimization converged after 70 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 102 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 44 steps. Minimization converged after 55 steps. Minimization converged after 25 steps. Minimization converged after 32 steps. Minimization converged after 47 steps. Minimization converged after 30 steps. Minimization converged after 60 steps. Minimization converged after 73 steps. Minimization converged after 24 steps. Minimization converged after 80 steps. Minimization converged after 42 steps. Minimization converged after 66 steps. Minimization converged after 150 steps. Minimization converged after 26 steps. Minimization converged after 94 steps. Minimization converged after 75 steps. Minimization converged after 73 steps. Minimization converged after 104 steps. Minimization converged after 46 steps. Minimization converged after 26 steps. Minimization converged after 25 steps. Minimization converged after 26 steps. Minimization converged after 85 steps. Minimization converged after 58 steps. Minimization converged after 25 steps. Minimization converged after 64 steps. Minimization converged after 37 steps. Minimization converged after 44 steps. Minimization converged after 47 steps. Minimization converged after 36 steps. Minimization converged after 121 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 89 steps. Minimization converged after 145 steps. Minimization converged after 96 steps. Minimization converged after 44 steps. Minimization converged after 63 steps. Minimization converged after 24 steps. Minimization converged after 88 steps. Minimization converged after 56 steps. Minimization converged after 69 steps. Minimization converged after 25 steps. Minimization converged after 87 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 97 steps. Minimization converged after 67 steps. Minimization converged after 82 steps. Minimization converged after 25 steps. Minimization converged after 52 steps. Minimization converged after 95 steps. Minimization converged after 32 steps. Minimization converged after 24 steps. Minimization converged after 54 steps. Minimization converged after 28 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 67 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 60 steps. Minimization converged after 65 steps. Minimization converged after 49 steps. Minimization converged after 67 steps. Minimization converged after 45 steps. Minimization converged after 37 steps. Minimization converged after 24 steps. Minimization converged after 63 steps. Minimization converged after 65 steps. Minimization converged after 47 steps. Minimization converged after 154 steps. Minimization converged after 53 steps. Minimization converged after 182 steps. Minimization converged after 62 steps. Minimization converged after 43 steps. Minimization converged after 63 steps. Minimization converged after 79 steps. Minimization converged after 50 steps. Minimization converged after 68 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 141 steps. Minimization converged after 62 steps. Minimization converged after 45 steps. Minimization converged after 102 steps. Minimization converged after 59 steps. Minimization converged after 24 steps. Minimization converged after 162 steps. Minimization converged after 72 steps. Minimization converged after 72 steps. Minimization converged after 55 steps. Minimization converged after 70 steps. Minimization converged after 95 steps. Minimization converged after 96 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 117 steps. Minimization converged after 102 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 63 steps. Minimization converged after 60 steps. Minimization converged after 83 steps. Minimization converged after 24 steps. Minimization converged after 65 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 70 steps. Minimization converged after 24 steps. Minimization converged after 39 steps. Minimization converged after 24 steps. Minimization converged after 58 steps. Minimization converged after 105 steps. Minimization converged after 80 steps. Minimization converged after 55 steps. Minimization converged after 40 steps. Minimization converged after 59 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 48 steps. Minimization converged after 24 steps. Minimization converged after 76 steps. Minimization converged after 160 steps. Minimization converged after 55 steps. Minimization converged after 32 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 83 steps. Minimization converged after 102 steps. Minimization converged after 24 steps. Minimization converged after 85 steps. Minimization converged after 56 steps. Minimization converged after 75 steps. Minimization converged after 25 steps. Minimization converged after 99 steps. Minimization converged after 24 steps. Minimization converged after 75 steps. Minimization converged after 42 steps. Minimization converged after 43 steps. Minimization converged after 96 steps. Minimization converged after 34 steps. Minimization converged after 86 steps. Minimization converged after 41 steps. Minimization converged after 64 steps. Minimization converged after 28 steps. Minimization converged after 72 steps. Minimization converged after 95 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 61 steps. Minimization converged after 62 steps. Minimization converged after 24 steps. Minimization converged after 55 steps. Minimization converged after 32 steps. Minimization converged after 152 steps. Minimization converged after 90 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 73 steps. Minimization converged after 24 steps. Minimization converged after 79 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 87 steps. Minimization converged after 66 steps. Minimization converged after 24 steps. Minimization converged after 49 steps. Minimization converged after 125 steps. Minimization converged after 65 steps. Minimization converged after 93 steps. Minimization converged after 24 steps. Minimization converged after 53 steps. Minimization converged after 24 steps. Minimization converged after 73 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 52 steps. Minimization converged after 24 steps. Minimization converged after 51 steps. Minimization converged after 24 steps. Minimization converged after 25 steps. Minimization converged after 73 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 9.65412445e-07 3.58431425e-06 -3.83579977e-06] [ 1.28302612e-06 -6.33197266e-06 5.76931324e-06] [-4.91713688e-06 -1.31988964e-06 -1.71201961e-06] [ 8.51417558e-06 -7.85975808e-06 -7.01805958e-06] [-4.36363386e-06 -1.08242061e-06 5.32516389e-07] [-8.81751264e-06 1.86035922e-06 -3.08419468e-06] [-9.37129670e-06 1.71475512e-06 1.60391939e-06] [ 9.99424808e-06 3.83153468e-06 -1.80370557e-06] [ 2.66403730e-06 3.09896449e-06 2.80033605e-07] [-4.35850558e-06 -3.20272453e-06 4.32061697e-06] [-7.48853879e-06 -9.41741708e-06 -2.25996822e-06] [-8.54503699e-08 1.25046168e-05 -1.73454755e-06] [ 4.75002572e-06 -9.60303703e-06 -7.48867697e-07] [ 5.76376850e-07 -1.77353981e-07 -1.58124517e-06] [-1.38444866e-05 1.76050605e-05 4.67739216e-06] [ 6.41026391e-06 7.91942449e-07 9.15016800e-07] [ 2.80593667e-07 3.26408874e-06 -1.72989168e-06] [ 5.39843451e-06 1.10546477e-07 -1.71965967e-06] [-9.14958749e-07 3.39361473e-06 -4.37668799e-06] [ 4.27868087e-06 -2.13870200e-06 1.21193475e-06] [-1.47301292e-06 -2.71884074e-06 6.01652621e-06] [ 3.15996832e-06 -2.56384879e-06 -3.54056403e-06] [-7.94048551e-06 2.94963304e-06 -3.79816269e-07] [ 3.88261110e-06 -1.53167144e-06 6.61546959e-08] [ 1.79746958e-06 -8.40978448e-07 -2.59923296e-07] [-9.62815831e-06 3.19776480e-06 3.43762709e-07] [ 5.59935432e-06 -1.38600445e-06 4.10430805e-06] [-1.16710547e-05 1.81182852e-06 1.45244895e-06] [ 1.03207813e-05 3.68742162e-06 -9.95653210e-06] [ 9.95613154e-06 -3.36485810e-06 1.18685868e-05] [-1.19426138e-06 3.76276019e-06 6.59858364e-06] [ 2.60916384e-06 -3.56618130e-06 4.15263116e-07] [ 4.23824435e-07 5.39946735e-06 5.30603857e-06] [ 1.25065187e-06 -1.01190736e-05 -7.12969497e-09] [-6.79974104e-07 8.21227958e-07 -4.83914898e-06] [-4.97173342e-07 -1.50451292e-06 4.46458870e-08] [ 2.21282249e-06 -8.90323777e-06 -1.93087829e-06] [-3.87024022e-06 2.05235520e-06 -4.26413185e-07] [ 5.33713961e-06 1.38016674e-06 5.60076953e-07] [-4.83454114e-06 3.20716513e-06 3.17483083e-06] [ 3.76926904e-06 -4.05133178e-06 -1.49109595e-06] [ 5.14394870e-06 -3.63606058e-06 -5.00157355e-07] [-6.32722077e-07 -5.72085727e-06 -4.34633306e-07] [-8.92270508e-06 2.12972285e-06 -2.38946117e-06] [ 4.76148102e-06 -1.72313783e-06 3.57657900e-06] [ 1.93549483e-06 1.06744512e-05 4.97879592e-07] [-2.83200982e-06 -9.15189575e-06 -9.03943235e-06] [ 1.06247168e-06 9.08200437e-06 3.46340483e-06]] Final stress: [-2.11891720e-04 1.44542180e-05 2.87788573e-05 5.18927230e-05 -9.55695503e-05 -6.08209643e-06] Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 56 steps. Minimization converged after 87 steps. Minimization converged after 25 steps. Minimization converged after 127 steps. Minimization converged after 52 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 64 steps. Minimization converged after 24 steps. Minimization converged after 81 steps. Minimization converged after 55 steps. Minimization converged after 42 steps. Minimization converged after 24 steps. Minimization converged after 43 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 56 steps. Minimization converged after 28 steps. Minimization converged after 45 steps. Minimization converged after 24 steps. Minimization converged after 103 steps. Minimization converged after 24 steps. Minimization converged after 66 steps. Minimization converged after 70 steps. Minimization converged after 76 steps. Minimization converged after 25 steps. Minimization converged after 62 steps. Minimization converged after 24 steps. Minimization converged after 90 steps. Minimization converged after 68 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 156 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 89 steps. Minimization converged after 81 steps. Minimization converged after 25 steps. Minimization converged after 88 steps. Minimization converged after 24 steps. Minimization converged after 58 steps. Minimization converged after 67 steps. Minimization converged after 52 steps. Minimization converged after 25 steps. Minimization converged after 54 steps. Minimization converged after 29 steps. Minimization converged after 24 steps. Minimization converged after 77 steps. Minimization converged after 44 steps. Minimization converged after 113 steps. Minimization converged after 39 steps. Minimization converged after 182 steps. Minimization converged after 24 steps. Minimization converged after 43 steps. Minimization converged after 24 steps. Minimization converged after 49 steps. Minimization converged after 140 steps. Minimization converged after 64 steps. Minimization converged after 61 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 83 steps. Minimization converged after 52 steps. Minimization converged after 71 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 60 steps. Minimization converged after 101 steps. Minimization converged after 47 steps. Minimization converged after 24 steps. Minimization converged after 45 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 39 steps. Minimization converged after 24 steps. Minimization converged after 102 steps. Minimization converged after 24 steps. Minimization converged after 66 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 71 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 90 steps. Minimization converged after 24 steps. Minimization converged after 102 steps. Minimization converged after 52 steps. Minimization converged after 47 steps. Minimization converged after 24 steps. Minimization converged after 52 steps. Minimization converged after 70 steps. Minimization converged after 24 steps. Minimization converged after 59 steps. Minimization converged after 24 steps. Minimization converged after 77 steps. Minimization converged after 24 steps. Minimization converged after 62 steps. Minimization converged after 25 steps. Minimization converged after 24 steps. Minimization converged after 82 steps. Minimization converged after 48 steps. Minimization converged after 24 steps. Minimization converged after 70 steps. Minimization converged after 47 steps. Minimization converged after 36 steps. Minimization converged after 24 steps. Minimization converged after 82 steps. Minimization converged after 24 steps. Minimization converged after 24 steps. Minimization converged after 75 steps. Minimization converged after 24 steps. Minimization converged after 47 steps. Minimization converged after 58 steps. Minimization converged after 53 steps. Minimization converged after 53 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]: [[ 83.71573 58.64363 42.24413 -1.7151 0.62182 -7.06454] [ 58.64363 83.86624 48.77224 0.16068 -7.90613 8.91698] [ 42.24413 48.77224 100.45692 9.09551 7.91679 -3.88106] [ -1.7151 0.16068 9.09551 12.98328 -2.43747 -1.37366] [ 0.62182 -7.90613 7.91679 -2.43747 20.9196 1.63754] [ -7.06454 8.91698 -3.88106 -1.37366 1.63754 18.76095]] 95%% Error estimate [ASE units]: [[0.00403 0.00098 0.00023 0.00034 0.00047 0.00173] [0.00098 0.02832 0.00623 0.00293 0.00203 0.0004 ] [0.00023 0.00623 0.00115 0.00494 0.00193 0.00125] [0.00034 0.00293 0.00494 0.00825 0.00311 0.00527] [0.00047 0.00203 0.00193 0.00311 0.00063 0.00058] [0.00173 0.0004 0.00125 0.00527 0.00058 0.00269]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[13412.73885 9395.74579 6768.25523 -274.78967 99.62733 -1131.86376] [ 9395.74579 13436.85244 7814.17392 25.74315 -1266.70239 1428.65788] [ 6768.25523 7814.17392 16094.97243 1457.26197 1268.40941 -621.81502] [ -274.78967 25.74315 1457.26197 2080.1501 -390.52644 -220.08429] [ 99.62733 -1266.70239 1268.40941 -390.52644 3351.68933 262.36334] [-1131.86376 1428.65788 -621.81502 -220.08429 262.36334 3005.8357 ]] 95 %% Error estimate [GPa]: [[0.6451 0.15631 0.03724 0.05445 0.07588 0.27775] [0.15631 4.53669 0.99786 0.46964 0.32527 0.06414] [0.03724 0.99786 0.18362 0.79128 0.30878 0.20058] [0.05445 0.46964 0.79128 1.32118 0.49873 0.84482] [0.07588 0.32527 0.30878 0.49873 0.10153 0.09261] [0.27775 0.06414 0.20058 0.84482 0.09261 0.43024]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 9966.44816 Unique elastic constants for space group 2 [GPa] ['c11', 'c12', 'c13', 'c14', 'c15', 'c16', 'c22', 'c23', 'c24', 'c25', 'c26', 'c33', 'c34', 'c35', 'c36', 'c44', 'c45', 'c46', 'c55', 'c56', 'c66'] [13412.73885217045, 9395.745787588034, 6768.255230612483, -274.789674299616, 99.62733037605726, -1131.863755197465, 13436.852440714118, 7814.173920587713, 25.743150512581998, -1266.7023942830401, 1428.6578768923382, 16094.972428050743, 1457.261965473255, 1268.4094102942229, -621.8150207451932, 2080.1500961579227, -390.5264431261823, -220.08429074517056, 3351.689332736808, 262.3633405666614, 3005.8356982951636] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 1.61327 Isotropic bulk modulus [GPa] = 10077.77466 Isotropic shear modulus [GPa] = 2380.67334 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.63079067 0.02837772 0.91871435] [0.45891048 0.56629861 0.43088495] [0.62999825 0.56814137 0.2718612 ] [0.40000854 0.48740557 0.03999459] [0.5301514 0.90090703 0.65325656] [0.99452759 0.57896376 0.05140555] [0.19455058 0.65053724 0.9809793 ] [0.17434882 0.48935431 0.82242281] [0.02600683 0.08728378 0.50665387] [0.76789618 0.46569714 0.85417808] [0.46183431 0.88122292 0.89813857] [0.44260193 0.65573148 0.19366279] [0.66408857 0.59106066 0.7492608 ] [0.60982783 0.19295454 0.87653312] [0.71115385 0.88226654 0.92964975] [0.4071506 0.93735569 0.37344434] [0.41622733 0.65860919 0.80142245] [0.11492687 0.80734786 0.78258222] [0.70320884 0.76429575 0.56487604] [0.24096318 0.73727289 0.38207769] [0.81684461 0.72485541 0.14907093] [0.11039605 0.45134972 0.39467733] [0.90511596 0.04121397 0.80035444] [0.68724975 0.96642711 0.29850606]] spacegroup = 2 cell = [[5.4951, 0, 0], [-1.5024893709258, 7.6876512212935, 0], [-1.5413658325964, -1.0125603689605, 3.9965128699048]] ========================================= 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 170 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. Minimization converged after 145 steps. Minimization converged after 80 steps. Minimization converged after 84 steps. Minimization converged after 67 steps. Minimization converged after 50 steps. Minimization converged after 89 steps. Minimization converged after 150 steps. Minimization converged after 100 steps. Minimization converged after 68 steps. Minimization converged after 54 steps. Minimization converged after 61 steps. Minimization converged after 86 steps. Minimization converged after 57 steps. Minimization converged after 48 steps. Minimization converged after 74 steps. Minimization converged after 160 steps. Minimization converged after 89 steps. Minimization converged after 115 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 77 steps. Minimization converged after 48 steps. Minimization converged after 64 steps. Minimization converged after 47 steps. Minimization converged after 47 steps. Minimization converged after 58 steps. Minimization converged after 58 steps. Minimization converged after 85 steps. Minimization converged after 49 steps. Minimization converged after 91 steps. Minimization converged after 49 steps. Minimization converged after 71 steps. Minimization converged after 47 steps. Minimization converged after 49 steps. Minimization converged after 86 steps. Minimization converged after 71 steps. Minimization converged after 78 steps. Minimization converged after 50 steps. Minimization converged after 48 steps. Minimization converged after 91 steps. Minimization converged after 57 steps. Minimization converged after 49 steps. Minimization converged after 70 steps. Minimization converged after 66 steps. Minimization converged after 48 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 1.06035695e-07 -3.91843115e-06 -3.60995460e-06] [ 2.21261432e-06 -8.05354180e-06 -1.09128043e-06] [-2.85171747e-07 -4.44565879e-06 -1.39195755e-06] [ 4.27115328e-07 5.64817845e-06 2.33650527e-06] [-7.49016108e-07 -1.07983016e-06 2.97523534e-07] [-8.98919546e-07 1.18538609e-07 -3.04853603e-06] [-6.81653383e-06 -1.27617423e-06 2.72877282e-06] [ 9.64836535e-06 1.10231662e-06 -1.35801490e-06] [ 4.56857055e-07 2.19198654e-06 7.24515410e-06] [-2.21238828e-06 3.58184450e-06 9.57088574e-07] [ 7.47556583e-07 1.78766230e-06 1.24151210e-06] [-1.99032008e-06 -2.28332514e-06 3.16849982e-07] [ 4.52409659e-07 -2.30636185e-06 -4.65797187e-07] [ 1.77049968e-06 5.40952977e-06 -9.41741596e-07] [ 1.50466806e-06 7.35705262e-07 2.18123439e-06] [-5.54603754e-07 -9.61646815e-07 -3.13767460e-06] [-1.05894493e-06 1.11445284e-06 -7.48848146e-07] [ 1.64975462e-07 -9.70634005e-07 -1.43689895e-07] [-4.60367991e-06 2.55154292e-06 -3.51005538e-06] [ 1.42129090e-06 -2.07119191e-06 2.92210608e-06] [ 3.73736339e-07 2.18270665e-06 -1.33223610e-06] [-1.98228356e-06 2.37703188e-07 -5.30579318e-07] [ 1.56907145e-06 -2.84209309e-06 3.34132208e-07] [-5.31971124e-07 1.67212006e-06 2.11957022e-07] [ 8.59080689e-06 -7.13215960e-06 -3.04209259e-06] [-3.52609968e-06 2.66886587e-06 1.33110563e-06] [-1.56321863e-06 1.25060622e-06 -4.30755114e-07] [-6.19997464e-07 1.76080366e-06 9.03400086e-07] [-9.73543228e-07 1.81188005e-06 -1.86353226e-06] [-7.71415359e-07 2.60294287e-06 2.17570486e-07] [-1.05417998e-06 2.06780606e-08 -6.11966426e-06] [-5.32364123e-07 -2.90695430e-06 1.77699124e-06] [-6.56741352e-06 2.56730013e-06 2.56035255e-07] [ 1.05880611e-06 -3.30093976e-07 -6.97929610e-07] [ 9.23192520e-07 2.94242574e-06 -1.61648196e-06] [ 1.61104344e-06 -1.37964223e-06 4.77196159e-06] [ 2.24850289e-06 7.50347184e-07 3.11163330e-07] [ 4.00016758e-08 -7.37715876e-07 -4.91137973e-07] [-4.75657780e-07 1.30940820e-06 -2.24427987e-06] [ 6.58953880e-07 -4.72594911e-07 1.93058320e-06] [ 2.11050512e-06 -7.82035275e-07 4.09949623e-06] [-8.02427801e-07 1.14045031e-06 -2.36102463e-06] [ 7.83604561e-06 -1.55699226e-06 -1.46242354e-06] [-1.00970806e-05 2.35977046e-07 2.34735041e-06] [-6.83632230e-07 -2.49121504e-06 3.61690666e-06] [ 1.20561587e-06 1.56729584e-06 -3.98919127e-06] [-1.77257069e-06 6.21757924e-07 -4.29414270e-06] [ 3.98476408e-06 -1.58673433e-06 7.58762128e-06]] Final stress: [ 0.18011587 0.50230304 -0.18237553 -0.0986925 -0.03746857 0.135714 ] Minimization converged after 51 steps. Minimization converged after 61 steps. Minimization converged after 87 steps. Minimization converged after 64 steps. Minimization converged after 63 steps. Minimization converged after 58 steps. Minimization converged after 63 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 58 steps. Minimization converged after 47 steps. Minimization converged after 61 steps. Minimization converged after 87 steps. Minimization converged after 68 steps. Minimization converged after 74 steps. Minimization converged after 86 steps. Minimization converged after 47 steps. Minimization converged after 107 steps. Minimization converged after 70 steps. Minimization converged after 50 steps. Minimization converged after 47 steps. Minimization converged after 72 steps. Minimization converged after 81 steps. Minimization converged after 76 steps. Minimization converged after 74 steps. Minimization converged after 92 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 120 steps. Minimization converged after 83 steps. Minimization converged after 74 steps. Minimization converged after 47 steps. Minimization converged after 47 steps. Minimization converged after 51 steps. Minimization converged after 80 steps. Minimization converged after 47 steps. Minimization converged after 93 steps. Minimization converged after 84 steps. Minimization converged after 63 steps. Minimization converged after 151 steps. Minimization converged after 54 steps. Minimization converged after 98 steps. Minimization converged after 116 steps. Minimization converged after 90 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 87 steps. Minimization converged after 48 steps. Minimization converged after 57 steps. Minimization converged after 51 steps. Minimization converged after 93 steps. Minimization converged after 95 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 78 steps. Minimization converged after 77 steps. Minimization converged after 67 steps. Minimization converged after 59 steps. Minimization converged after 64 steps. Minimization converged after 54 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 124 steps. Minimization converged after 150 steps. Minimization converged after 48 steps. Minimization converged after 91 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 75 steps. Minimization converged after 72 steps. Minimization converged after 145 steps. Minimization converged after 68 steps. Minimization converged after 112 steps. Minimization converged after 76 steps. Minimization converged after 76 steps. Minimization converged after 49 steps. Minimization converged after 55 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 82 steps. Minimization converged after 70 steps. Minimization converged after 84 steps. Minimization converged after 47 steps. Minimization converged after 49 steps. Minimization converged after 61 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 47 steps. Minimization converged after 57 steps. Minimization converged after 49 steps. Minimization converged after 79 steps. Minimization converged after 50 steps. Minimization converged after 48 steps. Minimization converged after 133 steps. Minimization converged after 48 steps. Minimization converged after 47 steps. Minimization converged after 73 steps. Minimization converged after 130 steps. Minimization converged after 51 steps. Minimization converged after 54 steps. Minimization converged after 81 steps. Minimization converged after 116 steps. Minimization converged after 47 steps. Minimization converged after 74 steps. Minimization converged after 117 steps. Minimization converged after 78 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 98 steps. Minimization converged after 100 steps. Minimization converged after 69 steps. Minimization converged after 89 steps. Minimization converged after 71 steps. Minimization converged after 49 steps. Minimization converged after 76 steps. Minimization converged after 81 steps. Minimization converged after 49 steps. Minimization converged after 108 steps. Minimization converged after 64 steps. Minimization converged after 74 steps. Minimization converged after 53 steps. Minimization converged after 72 steps. Minimization converged after 49 steps. Minimization converged after 140 steps. Minimization converged after 48 steps. Minimization converged after 63 steps. Minimization converged after 75 steps. Minimization converged after 49 steps. Minimization converged after 68 steps. Minimization converged after 91 steps. Minimization converged after 63 steps. Minimization converged after 65 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 150 steps. Minimization converged after 132 steps. Minimization converged after 51 steps. Minimization converged after 125 steps. Minimization converged after 67 steps. Minimization converged after 49 steps. Minimization converged after 123 steps. Minimization converged after 79 steps. Minimization converged after 152 steps. Minimization converged after 48 steps. Minimization converged after 55 steps. Minimization converged after 49 steps. Minimization converged after 77 steps. Minimization converged after 79 steps. Minimization converged after 49 steps. Minimization converged after 93 steps. Minimization converged after 49 steps. Minimization converged after 63 steps. Minimization converged after 132 steps. Minimization converged after 98 steps. Minimization converged after 78 steps. Minimization converged after 71 steps. Minimization converged after 55 steps. Minimization converged after 165 steps. Minimization converged after 55 steps. Minimization converged after 61 steps. Minimization converged after 62 steps. Minimization converged after 48 steps. Minimization converged after 135 steps. Minimization converged after 58 steps. Minimization converged after 86 steps. Minimization converged after 51 steps. Minimization converged after 55 steps. Minimization converged after 56 steps. Minimization converged after 49 steps. Minimization converged after 104 steps. Minimization converged after 78 steps. Minimization converged after 57 steps. Minimization converged after 103 steps. Minimization converged after 73 steps. Minimization converged after 59 steps. Minimization converged after 83 steps. Minimization converged after 79 steps. Minimization converged after 54 steps. Minimization converged after 112 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 2.03985692e-07 -7.03007187e-06 4.52379102e-06] [ 1.85652504e-07 -5.16869776e-06 8.24778460e-07] [ 1.86543750e-06 -1.86897507e-06 1.40842805e-06] [-8.65931003e-07 2.47679308e-06 -3.59084450e-06] [ 3.28138660e-06 2.31221395e-06 9.75663558e-06] [ 2.85488678e-06 1.71975432e-06 9.63718322e-06] [-6.61642125e-06 2.08831786e-06 -1.18684034e-05] [-5.24761170e-06 -8.67726002e-07 -1.17698486e-05] [ 4.81618203e-07 2.29658540e-06 -4.04305716e-06] [-9.89032041e-07 2.96188120e-06 -2.04139522e-06] [ 5.73847652e-06 1.18968422e-06 2.62640213e-06] [ 3.76456853e-06 5.08828229e-06 -1.10745304e-06] [ 4.18821496e-07 6.02990730e-07 5.31367910e-07] [-3.79400988e-06 4.13295486e-08 -2.51055651e-06] [ 1.65324453e-06 -5.70604458e-06 7.89937598e-06] [ 2.84693893e-06 -1.65867588e-06 6.00537299e-06] [-5.52765048e-06 -4.27846708e-06 3.13808861e-06] [ 8.31094047e-07 1.13397061e-06 3.95202436e-06] [ 8.84184779e-07 -1.52843921e-06 -1.86351147e-06] [ 1.75131607e-07 -9.82033310e-07 9.04126304e-07] [ 3.56405947e-07 -1.48043382e-07 4.23536790e-06] [ 1.09743131e-06 8.35040841e-07 -5.17072036e-07] [-2.52668484e-06 -3.89214958e-06 -1.00978066e-06] [-1.81194407e-06 -5.74912952e-06 8.62112752e-07] [-2.77402455e-06 -1.09219146e-06 2.16725997e-06] [-3.50397288e-06 -8.58476034e-07 2.43532160e-06] [-2.63759221e-06 3.70036065e-06 6.48264032e-07] [ 4.61158133e-07 2.71158849e-06 -1.18658358e-06] [-5.57779205e-07 3.10056929e-06 -3.70790897e-06] [-4.04947310e-06 2.91896320e-06 4.69545791e-06] [ 1.13478149e-06 -2.32876670e-06 -9.45913385e-07] [-1.47778142e-07 -1.07077213e-06 -2.46105829e-07] [ 2.70624772e-06 8.25780097e-07 -1.71408384e-06] [ 7.55364518e-07 -1.13041162e-06 -1.60096511e-06] [-3.69281161e-06 1.36277859e-06 -1.06544614e-06] [-1.48744048e-06 1.86194111e-06 1.12280560e-06] [ 1.69817976e-06 -4.63020337e-06 -8.47205894e-07] [ 4.35320381e-06 3.52263042e-06 1.65903663e-06] [-1.60425984e-06 -1.70091475e-06 4.70565045e-07] [ 7.65155296e-07 5.86090647e-07 1.40768599e-06] [ 1.74772967e-06 1.35938334e-06 1.49093828e-06] [-8.40393130e-07 1.45558125e-06 -2.14300449e-07] [-6.33840515e-07 2.51805687e-06 -6.31932998e-06] [-8.13435540e-08 3.38319343e-07 -4.39038110e-06] [ 4.95070115e-06 2.80948932e-07 -3.05876084e-06] [ 1.97403405e-06 -1.11826494e-06 -8.94982120e-06] [ 3.79433008e-08 1.65283837e-06 3.11545293e-06] [ 2.16623059e-06 1.86577955e-06 -9.49114355e-07]] Final stress: [ 0.17264545 0.49746046 -0.19302927 -0.0981177 -0.03138673 0.13711626] Minimization converged after 48 steps. Minimization converged after 65 steps. Minimization converged after 51 steps. Minimization converged after 67 steps. Minimization converged after 61 steps. Minimization converged after 50 steps. Minimization converged after 95 steps. Minimization converged after 63 steps. Minimization converged after 49 steps. Minimization converged after 79 steps. Minimization converged after 69 steps. Minimization converged after 79 steps. Minimization converged after 62 steps. Minimization converged after 49 steps. Minimization converged after 161 steps. Minimization converged after 49 steps. Minimization converged after 77 steps. Minimization converged after 80 steps. Minimization converged after 51 steps. Minimization converged after 99 steps. Minimization converged after 92 steps. Minimization converged after 67 steps. Minimization converged after 130 steps. Minimization converged after 82 steps. Minimization converged after 48 steps. Minimization converged after 69 steps. Minimization converged after 51 steps. Minimization converged after 49 steps. Minimization converged after 47 steps. Minimization converged after 49 steps. Minimization converged after 98 steps. Minimization converged after 123 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 76 steps. Minimization converged after 53 steps. Minimization converged after 117 steps. Minimization converged after 62 steps. Minimization converged after 70 steps. Minimization converged after 59 steps. Minimization converged after 185 steps. Minimization converged after 48 steps. Minimization converged after 51 steps. Minimization converged after 86 steps. Minimization converged after 90 steps. Minimization converged after 75 steps. Minimization converged after 84 steps. Minimization converged after 152 steps. Minimization converged after 58 steps. Minimization converged after 48 steps. Minimization converged after 58 steps. Minimization converged after 59 steps. Minimization converged after 49 steps. Minimization converged after 89 steps. Minimization converged after 48 steps. Minimization converged after 73 steps. Minimization converged after 123 steps. Minimization converged after 56 steps. Minimization converged after 47 steps. Minimization converged after 118 steps. Minimization converged after 83 steps. Minimization converged after 82 steps. Minimization converged after 90 steps. Minimization converged after 74 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 64 steps. Minimization converged after 63 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 108 steps. Minimization converged after 71 steps. Minimization converged after 60 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 77 steps. Minimization converged after 47 steps. Minimization converged after 56 steps. Minimization converged after 101 steps. Minimization converged after 74 steps. Minimization converged after 138 steps. Minimization converged after 98 steps. Minimization converged after 51 steps. Minimization converged after 73 steps. Minimization converged after 67 steps. Minimization converged after 84 steps. Minimization converged after 135 steps. Minimization converged after 80 steps. Minimization converged after 74 steps. Minimization converged after 54 steps. Minimization converged after 88 steps. Minimization converged after 70 steps. Minimization converged after 48 steps. Minimization converged after 66 steps. Minimization converged after 176 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 104 steps. Minimization converged after 66 steps. Minimization converged after 48 steps. Minimization converged after 74 steps. Minimization converged after 177 steps. Minimization converged after 49 steps. Minimization converged after 83 steps. Minimization converged after 73 steps. Minimization converged after 85 steps. Minimization converged after 192 steps. Minimization converged after 63 steps. Minimization converged after 129 steps. Minimization converged after 70 steps. Minimization converged after 77 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 88 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 166 steps. Minimization converged after 75 steps. Minimization converged after 68 steps. Minimization converged after 74 steps. Minimization converged after 78 steps. Minimization converged after 103 steps. Minimization converged after 95 steps. Minimization converged after 52 steps. Minimization converged after 76 steps. Minimization converged after 90 steps. Minimization converged after 90 steps. Minimization converged after 61 steps. Minimization converged after 54 steps. Minimization converged after 48 steps. Minimization converged after 76 steps. Minimization converged after 91 steps. Minimization converged after 98 steps. Minimization converged after 68 steps. Minimization converged after 77 steps. Minimization converged after 48 steps. Minimization converged after 82 steps. Minimization converged after 49 steps. Minimization converged after 121 steps. Minimization converged after 73 steps. Minimization converged after 95 steps. Minimization converged after 92 steps. Minimization converged after 68 steps. Minimization converged after 48 steps. Minimization converged after 83 steps. Minimization converged after 82 steps. Minimization converged after 70 steps. Minimization converged after 77 steps. Minimization converged after 52 steps. Minimization converged after 48 steps. Minimization converged after 52 steps. Minimization converged after 79 steps. Minimization converged after 51 steps. Minimization converged after 75 steps. Minimization converged after 48 steps. Minimization converged after 90 steps. Minimization converged after 86 steps. Minimization converged after 76 steps. Minimization converged after 52 steps. Minimization converged after 48 steps. Minimization converged after 71 steps. Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 83 steps. Minimization converged after 72 steps. Minimization converged after 101 steps. Minimization converged after 69 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 71 steps. Minimization converged after 86 steps. Minimization converged after 69 steps. Minimization converged after 73 steps. Minimization converged after 99 steps. Minimization converged after 92 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 52 steps. Minimization converged after 98 steps. Minimization converged after 48 steps. Minimization converged after 72 steps. Minimization converged after 70 steps. Minimization converged after 87 steps. Minimization converged after 80 steps. Minimization converged after 83 steps. Minimization converged after 125 steps. Minimization converged after 57 steps. Minimization converged after 86 steps. Minimization converged after 48 steps. Minimization converged after 116 steps. Minimization converged after 68 steps. Minimization converged after 49 steps. Minimization converged after 54 steps. Minimization converged after 49 steps. Minimization converged after 75 steps. Minimization converged after 73 steps. Minimization converged after 50 steps. Minimization converged after 81 steps. Minimization converged after 47 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 80 steps. Minimization converged after 48 steps. Minimization converged after 69 steps. Minimization converged after 61 steps. Minimization converged after 64 steps. Minimization converged after 76 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 82 steps. Minimization converged after 101 steps. Minimization converged after 48 steps. Minimization converged after 79 steps. Minimization converged after 51 steps. Minimization converged after 53 steps. Minimization converged after 74 steps. Minimization converged after 90 steps. Minimization converged after 57 steps. Minimization converged after 89 steps. Minimization converged after 78 steps. Minimization converged after 64 steps. Minimization converged after 49 steps. Minimization converged after 77 steps. Minimization converged after 190 steps. Minimization converged after 49 steps. Minimization converged after 63 steps. Minimization converged after 71 steps. Minimization converged after 113 steps. Minimization converged after 60 steps. Minimization converged after 66 steps. Minimization converged after 90 steps. Minimization converged after 72 steps. Minimization converged after 129 steps. Minimization converged after 51 steps. Minimization converged after 55 steps. Minimization converged after 93 steps. Minimization converged after 89 steps. Minimization converged after 53 steps. Minimization converged after 90 steps. Minimization converged after 82 steps. Minimization converged after 48 steps. Minimization converged after 71 steps. Minimization converged after 119 steps. Minimization converged after 90 steps. Minimization converged after 66 steps. Minimization converged after 49 steps. Minimization converged after 78 steps. Minimization converged after 85 steps. Minimization converged after 157 steps. Minimization converged after 82 steps. Minimization converged after 68 steps. Minimization converged after 87 steps. Minimization converged after 54 steps. Minimization converged after 144 steps. Minimization converged after 84 steps. Minimization converged after 115 steps. Minimization converged after 48 steps. Minimization converged after 70 steps. Minimization converged after 83 steps. Minimization converged after 88 steps. Minimization converged after 48 steps. Minimization converged after 99 steps. Minimization converged after 67 steps. Minimization converged after 48 steps. Minimization converged after 78 steps. Minimization converged after 83 steps. Minimization converged after 54 steps. Minimization converged after 49 steps. Minimization converged after 77 steps. Minimization converged after 57 steps. Minimization converged after 91 steps. Minimization converged after 79 steps. Minimization converged after 48 steps. Minimization converged after 86 steps. Minimization converged after 105 steps. Minimization converged after 61 steps. Minimization converged after 58 steps. Minimization converged after 69 steps. Minimization converged after 54 steps. Minimization converged after 68 steps. Minimization converged after 84 steps. Minimization converged after 85 steps. Minimization converged after 84 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 80 steps. Minimization converged after 80 steps. Minimization converged after 127 steps. Minimization converged after 51 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 6.70585292e-06 -1.11085692e-05 -3.74146775e-06] [-4.96798387e-06 3.39176249e-07 -6.96782581e-06] [ 2.31601641e-06 -2.69409956e-06 3.14277609e-06] [-2.10088758e-06 2.75259939e-06 -2.92097210e-06] [ 4.37488878e-06 -4.98707555e-06 1.12012119e-05] [ 2.79518042e-07 7.91504757e-06 -1.06698914e-06] [-4.22085962e-06 5.68053557e-06 -6.34731696e-06] [-3.19345502e-06 -7.90575711e-06 -6.93680991e-06] [ 7.79447618e-06 4.33523053e-06 -2.39100047e-06] [-9.38914125e-06 1.06282921e-07 1.38161268e-05] [ 2.66752902e-06 -4.64582129e-06 3.09751666e-06] [ 6.57443881e-07 6.68392331e-06 -1.67123062e-06] [-3.45716604e-06 4.40930429e-06 1.02889956e-05] [ 1.58276807e-06 -4.47805353e-06 -9.43834310e-06] [ 6.29300332e-07 -6.65462053e-06 5.16052545e-06] [ 3.78735914e-06 4.28780792e-06 -2.75929037e-07] [-3.61666871e-06 -5.29810499e-06 -4.77267095e-06] [ 3.19720288e-06 5.96741058e-06 3.24200660e-06] [ 7.67109848e-07 -6.71952537e-07 -4.00144640e-06] [-3.69583739e-06 -4.05965645e-07 1.66670963e-06] [-1.87291775e-06 -2.91010058e-06 1.28843375e-05] [ 1.31657067e-06 8.78415573e-06 -1.29087886e-05] [ 5.20369000e-07 -1.78249283e-06 -6.43033769e-07] [-6.43907397e-08 4.76971360e-06 1.19970416e-06] [ 4.51920740e-06 -1.22000472e-09 5.80957499e-06] [-4.09440657e-06 -1.40954029e-06 -5.61810728e-06] [ 3.62769955e-07 -2.72613202e-06 2.27163705e-07] [-1.06178678e-06 3.59996288e-06 9.86976923e-08] [-9.94063827e-06 1.26591707e-05 -1.10468583e-06] [ 7.92905448e-06 -9.67840586e-06 5.39060572e-07] [-4.97069985e-07 1.59578498e-06 -3.86652189e-06] [-3.63310265e-08 -1.48373687e-06 2.44357044e-06] [ 4.39851185e-07 8.97013487e-08 -2.75687945e-06] [ 5.38382657e-07 -4.08732108e-06 3.20067782e-06] [-6.42818683e-07 8.92850182e-07 -2.81376103e-06] [ 2.52631114e-06 1.63197814e-07 6.39982601e-06] [ 3.26156737e-06 -3.52416460e-06 -6.85426850e-06] [-1.20232108e-06 1.27193565e-06 4.52188414e-06] [ 7.83180020e-07 -1.97232302e-06 -9.44384454e-06] [-1.63737640e-06 1.05348501e-06 6.35616848e-06] [ 7.14832692e-06 5.71087016e-06 2.30485791e-06] [-6.74984985e-06 -3.29417814e-06 -6.20330174e-07] [-3.25268958e-07 3.74829521e-06 1.22643567e-06] [-2.04629457e-06 -2.94693409e-06 -3.19409621e-06] [-1.93274315e-06 7.55441276e-07 -2.55101295e-06] [ 1.15146974e-06 -1.32868958e-06 2.80076474e-06] [ 2.36067517e-06 -2.46039389e-06 -4.36641922e-06] [-8.70987867e-07 8.83769929e-07 5.64515916e-06]] Final stress: [ 0.17480303 0.49865131 -0.19111763 -0.09938035 -0.03112926 0.13662572] Minimization converged after 71 steps. Minimization converged after 49 steps. Minimization converged after 65 steps. Minimization converged after 67 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 74 steps. Minimization converged after 73 steps. Minimization converged after 49 steps. Minimization converged after 57 steps. Minimization converged after 85 steps. Minimization converged after 58 steps. Minimization converged after 72 steps. Minimization converged after 119 steps. Minimization converged after 70 steps. Minimization converged after 79 steps. Minimization converged after 58 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. Minimization converged after 93 steps. Minimization converged after 83 steps. Minimization converged after 69 steps. Minimization converged after 96 steps. Minimization converged after 48 steps. Minimization converged after 79 steps. Minimization converged after 80 steps. Minimization converged after 66 steps. Minimization converged after 85 steps. Minimization converged after 81 steps. Minimization converged after 70 steps. Minimization converged after 54 steps. Minimization converged after 49 steps. Minimization converged after 76 steps. Minimization converged after 58 steps. Minimization converged after 74 steps. Minimization converged after 76 steps. Minimization converged after 60 steps. Minimization converged after 72 steps. Minimization converged after 49 steps. Minimization converged after 122 steps. Minimization converged after 79 steps. Minimization converged after 57 steps. Minimization converged after 117 steps. Minimization converged after 91 steps. Minimization converged after 91 steps. Minimization converged after 73 steps. Minimization converged after 57 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 57 steps. Minimization converged after 48 steps. Minimization converged after 130 steps. Minimization converged after 58 steps. Minimization converged after 51 steps. Minimization converged after 67 steps. Minimization converged after 65 steps. Minimization converged after 53 steps. Minimization converged after 129 steps. Minimization converged after 77 steps. Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 118 steps. Minimization converged after 134 steps. Minimization converged after 61 steps. Minimization converged after 85 steps. Minimization converged after 49 steps. Minimization converged after 85 steps. Minimization converged after 57 steps. Minimization converged after 48 steps. Minimization converged after 86 steps. Minimization converged after 117 steps. Minimization converged after 65 steps. Minimization converged after 74 steps. Minimization converged after 67 steps. Minimization converged after 63 steps. Minimization converged after 48 steps. Minimization converged after 102 steps. Minimization converged after 89 steps. Minimization converged after 104 steps. Minimization converged after 49 steps. Minimization converged after 68 steps. Minimization converged after 57 steps. Minimization converged after 149 steps. Minimization converged after 50 steps. Minimization converged after 49 steps. Minimization converged after 71 steps. Minimization converged after 192 steps. Minimization converged after 48 steps. Minimization converged after 71 steps. Minimization converged after 54 steps. Minimization converged after 87 steps. Minimization converged after 49 steps. Minimization converged after 55 steps. Minimization converged after 52 steps. Minimization converged after 51 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 3.07747613e-06 -9.50020277e-07 3.86014417e-06] [-2.85162485e-06 1.17033800e-06 2.17580363e-06] [ 1.75782608e-06 -2.21061047e-06 -1.85606411e-06] [-3.05486769e-06 1.32924166e-07 1.50940249e-07] [-1.95531122e-06 -1.26352241e-06 6.75450311e-07] [ 1.35820615e-06 4.35006481e-06 -1.32165061e-06] [-2.50564591e-06 3.04731732e-06 -1.78582283e-06] [ 1.31005134e-06 -2.01772240e-06 -2.05401643e-07] [ 2.61695596e-06 -4.96721366e-06 -7.69012947e-07] [-3.48508805e-06 5.28518499e-06 -5.71446339e-06] [-1.38667273e-06 -1.86022215e-07 -1.08183898e-06] [ 5.06604507e-06 1.54875523e-06 2.78158281e-06] [ 1.12265854e-06 1.92593934e-06 1.40291812e-07] [-8.19005267e-07 1.86685564e-06 -1.57595275e-06] [ 1.61432475e-06 -2.90888615e-06 3.53279509e-06] [-1.43122114e-06 4.25552528e-08 -3.85372923e-06] [-1.20580830e-07 -3.02815501e-06 8.11627069e-08] [-5.00225109e-07 1.49474520e-06 2.40364502e-06] [-1.06736081e-06 -1.74246908e-06 1.99997582e-06] [-1.96419239e-06 3.78460450e-06 -2.34386776e-06] [-4.34758999e-07 -3.62109378e-06 -5.39397471e-06] [ 2.24093454e-06 2.88736065e-06 2.29469145e-06] [-1.98297388e-06 -4.78267846e-06 -2.36337154e-06] [ 2.89579983e-06 -4.64838138e-07 2.74431342e-06] [ 5.91526780e-06 1.31532099e-07 -2.87497549e-07] [-2.61563010e-06 -3.64879714e-06 2.67978413e-06] [-1.08092585e-06 4.25538502e-06 1.22708785e-06] [-4.51989053e-07 -5.65628985e-08 5.57321554e-08] [ 2.24790540e-07 1.08485453e-06 -1.79465765e-06] [-1.36389454e-06 4.70257259e-08 3.31439504e-06] [ 4.89673856e-07 -2.52015046e-06 2.42626481e-07] [ 6.08582944e-06 -2.82463789e-07 8.96139346e-07] [-4.83194741e-06 2.77340120e-06 4.67592745e-06] [ 9.48212956e-07 -2.76556038e-06 -3.55950898e-06] [-5.42566902e-07 -3.86182632e-06 -5.83399544e-06] [-1.32021448e-06 7.88346408e-07 3.77912990e-06] [ 9.66123219e-07 5.88155095e-06 1.56674584e-06] [ 1.65679290e-06 -2.23754522e-06 -3.48605362e-06] [ 2.37756574e-06 2.69153733e-06 5.82644794e-07] [-1.35990479e-06 -4.06719948e-06 -1.41591047e-06] [-2.06837909e-06 -1.06471427e-07 -1.05247963e-06] [-7.58833526e-07 9.41422686e-07 1.44175177e-06] [ 5.17955111e-06 -1.27553916e-06 -1.45927400e-06] [-2.36107436e-06 2.62474494e-06 3.58483071e-06] [-9.77456601e-07 -8.23591367e-07 -1.02605860e-05] [-7.60534212e-07 2.23462531e-06 5.28255147e-06] [ 5.73225404e-06 -2.33729081e-06 1.02202048e-05] [-8.58346019e-06 1.13515919e-06 -4.97523450e-06]] Final stress: [ 0.17443879 0.4982418 -0.19153334 -0.09915269 -0.03111125 0.13670542] Minimization converged after 64 steps. Minimization converged after 79 steps. Minimization converged after 47 steps. Minimization converged after 63 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 5.73314248e-07 -2.79721413e-06 3.24118354e-07] [ 2.71075238e-06 4.37254629e-06 5.04601880e-06] [ 1.09599775e-06 1.96412300e-07 -3.19208864e-07] [ 1.01485420e-08 2.19106004e-06 6.12964041e-07] [-2.33307918e-06 -1.92704267e-07 -9.64800122e-07] [-2.27909702e-06 -2.38245400e-07 -4.36773727e-06] [-5.85952829e-06 -1.27883086e-06 3.68246176e-06] [ 7.64794616e-06 2.32886166e-06 1.10035113e-06] [-1.43790198e-06 2.96983708e-06 7.85202292e-07] [ 2.98131266e-06 -1.80784655e-06 -9.15974686e-06] [ 9.94540221e-07 -1.02146129e-06 -1.15739595e-06] [-1.14996730e-08 1.17036719e-06 -1.09690007e-06] [-1.01718560e-06 5.33285151e-06 -3.15920872e-06] [-3.52142723e-06 -4.87999165e-06 4.93882064e-06] [ 2.21076694e-06 -2.92245164e-06 1.62034267e-06] [-2.29702361e-06 1.07167039e-06 -4.36386253e-06] [ 2.53851038e-06 -7.24495324e-08 9.26063907e-07] [ 2.60091192e-08 -1.95174060e-06 2.48278781e-06] [ 6.37165332e-07 3.65344475e-06 1.42196873e-06] [ 2.22231062e-06 -2.92031967e-06 3.34075328e-06] [ 1.87875603e-06 6.36801085e-07 -3.91443953e-07] [-5.56606006e-07 -6.57548944e-09 6.01275385e-06] [ 5.16037598e-07 -8.12272953e-07 -2.26163505e-07] [-1.49534073e-06 -3.70473635e-06 3.25276706e-07] [-9.32270947e-07 -1.81986342e-06 1.15159596e-06] [ 1.58898635e-07 2.98701869e-06 -3.38950499e-06] [-1.51184444e-06 1.46687955e-06 8.07341440e-07] [ 2.39554426e-06 -5.55310607e-08 1.06899132e-06] [-3.96016267e-07 6.45335675e-07 -6.50513050e-07] [ 4.69515160e-08 -6.56676838e-07 9.33908208e-07] [-2.31616023e-07 -3.67808004e-06 8.64589852e-09] [ 9.34490704e-07 -7.73410632e-07 3.87133571e-06] [-1.43267837e-07 7.48403552e-07 2.13604420e-06] [ 3.04522458e-06 -2.61752093e-06 -3.81913133e-06] [-3.18588849e-06 -3.28816789e-06 -2.92333429e-06] [-3.00693096e-06 -7.51694797e-07 -2.71580051e-06] [ 1.06173243e-06 -9.94471125e-07 -1.52693082e-06] [-2.26473583e-06 -1.49117152e-07 5.14947385e-06] [-2.43282491e-06 9.58648035e-07 -4.17320195e-08] [ 3.95163280e-06 1.55361203e-07 -1.92451482e-06] [ 1.32372447e-06 2.26369778e-07 -5.67682536e-07] [-6.57125417e-07 1.70382175e-06 1.98243081e-07] [ 5.37704995e-06 1.66720537e-06 6.86277700e-08] [-2.75459273e-06 1.00891475e-06 3.12852985e-06] [-5.09991836e-07 -4.15733663e-07 2.48615244e-06] [ 2.78883052e-07 4.62451964e-07 -1.88774297e-06] [-4.58211887e-06 -7.10863433e-07 5.72074331e-07] [-1.19978654e-06 4.56370876e-06 -9.54749290e-06]] Final stress: [ 0.17444752 0.49817682 -0.19148017 -0.09923104 -0.03122362 0.13662132] Minimization converged after 84 steps. Minimization converged after 64 steps. Minimization converged after 85 steps. Minimization converged after 78 steps. Minimization converged after 77 steps. Minimization converged after 60 steps. Minimization converged after 192 steps. Minimization converged after 51 steps. Minimization converged after 65 steps. Minimization converged after 48 steps. Minimization converged after 87 steps. Minimization converged after 48 steps. Minimization converged after 90 steps. Minimization converged after 72 steps. Minimization converged after 78 steps. Minimization converged after 78 steps. Minimization converged after 69 steps. Minimization converged after 81 steps. Minimization converged after 83 steps. Minimization converged after 81 steps. Minimization converged after 51 steps. Minimization converged after 57 steps. Minimization converged after 51 steps. Minimization converged after 66 steps. Minimization converged after 54 steps. Minimization converged after 91 steps. Minimization converged after 91 steps. Minimization converged after 72 steps. Minimization converged after 67 steps. Minimization converged after 77 steps. Minimization converged after 91 steps. Minimization converged after 64 steps. Minimization converged after 51 steps. Minimization converged after 61 steps. Minimization converged after 84 steps. Minimization converged after 54 steps. Minimization converged after 70 steps. Minimization converged after 86 steps. Minimization converged after 61 steps. Minimization converged after 62 steps. Minimization converged after 48 steps. Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 75 steps. Minimization converged after 71 steps. Minimization converged after 72 steps. Minimization converged after 54 steps. Minimization converged after 87 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 77 steps. Minimization converged after 94 steps. Minimization converged after 49 steps. Minimization converged after 89 steps. Minimization converged after 48 steps. Minimization converged after 65 steps. Minimization converged after 64 steps. Minimization converged after 48 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 104 steps. Minimization converged after 96 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 88 steps. Minimization converged after 89 steps. Minimization converged after 79 steps. Minimization converged after 65 steps. Minimization converged after 100 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 62 steps. Minimization converged after 54 steps. Minimization converged after 91 steps. Minimization converged after 57 steps. Minimization converged after 120 steps. Minimization converged after 63 steps. Minimization converged after 50 steps. Minimization converged after 138 steps. Minimization converged after 54 steps. Minimization converged after 76 steps. Minimization converged after 67 steps. Minimization converged after 84 steps. Minimization converged after 67 steps. Minimization converged after 72 steps. Minimization converged after 51 steps. Minimization converged after 51 steps. Minimization converged after 145 steps. Minimization converged after 68 steps. Minimization converged after 57 steps. Minimization converged after 88 steps. Minimization converged after 65 steps. Minimization converged after 61 steps. Minimization converged after 68 steps. Minimization converged after 76 steps. Minimization converged after 124 steps. Minimization converged after 67 steps. Minimization converged after 58 steps. Minimization converged after 83 steps. Minimization converged after 77 steps. Minimization converged after 57 steps. Minimization converged after 71 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 84 steps. Minimization converged after 144 steps. Minimization converged after 75 steps. Minimization converged after 121 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 63 steps. Minimization converged after 71 steps. Minimization converged after 48 steps. Minimization converged after 67 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 87 steps. Minimization converged after 77 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 88 steps. Minimization converged after 53 steps. Minimization converged after 128 steps. Minimization converged after 82 steps. Minimization converged after 96 steps. Minimization converged after 51 steps. Minimization converged after 132 steps. Minimization converged after 48 steps. Minimization converged after 58 steps. Minimization converged after 70 steps. Minimization converged after 66 steps. Minimization converged after 93 steps. Minimization converged after 95 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 56 steps. Minimization converged after 78 steps. Minimization converged after 49 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 55 steps. Minimization converged after 132 steps. Minimization converged after 144 steps. Minimization converged after 64 steps. Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 51 steps. Minimization converged after 94 steps. Minimization converged after 71 steps. Minimization converged after 108 steps. Minimization converged after 48 steps. Minimization converged after 66 steps. Minimization converged after 85 steps. Minimization converged after 65 steps. Minimization converged after 57 steps. Minimization converged after 65 steps. Minimization converged after 73 steps. Minimization converged after 60 steps. Minimization converged after 73 steps. Minimization converged after 99 steps. Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 69 steps. Minimization converged after 131 steps. Minimization converged after 53 steps. Minimization converged after 176 steps. Minimization converged after 49 steps. Minimization converged after 66 steps. Minimization converged after 61 steps. Minimization converged after 51 steps. Minimization converged after 100 steps. Minimization converged after 90 steps. Minimization converged after 71 steps. Minimization converged after 86 steps. Minimization converged after 54 steps. Minimization converged after 140 steps. Minimization converged after 88 steps. Minimization converged after 78 steps. Minimization converged after 65 steps. Minimization converged after 71 steps. Minimization converged after 54 steps. Minimization converged after 74 steps. Minimization converged after 89 steps. Minimization converged after 81 steps. Minimization converged after 54 steps. Minimization converged after 68 steps. Minimization converged after 74 steps. Minimization converged after 79 steps. Minimization converged after 48 steps. Minimization converged after 78 steps. Minimization converged after 61 steps. Minimization converged after 137 steps. Minimization converged after 65 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 78 steps. Minimization converged after 76 steps. Minimization converged after 75 steps. Minimization converged after 49 steps. Minimization converged after 103 steps. Minimization converged after 119 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 55 steps. Minimization converged after 49 steps. Minimization converged after 61 steps. Minimization converged after 60 steps. Minimization converged after 76 steps. Minimization converged after 56 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 76 steps. Minimization converged after 49 steps. Minimization converged after 102 steps. Minimization converged after 71 steps. Minimization converged after 48 steps. Minimization converged after 49 steps. Minimization converged after 81 steps. Minimization converged after 69 steps. Minimization converged after 57 steps. Minimization converged after 57 steps. Minimization converged after 87 steps. Minimization converged after 82 steps. Minimization converged after 49 steps. Minimization converged after 53 steps. Minimization converged after 89 steps. Minimization converged after 47 steps. Minimization converged after 54 steps. Minimization converged after 123 steps. Minimization converged after 54 steps. Minimization converged after 52 steps. Minimization converged after 52 steps. Minimization converged after 59 steps. Minimization converged after 57 steps. Minimization converged after 54 steps. Minimization converged after 102 steps. Minimization converged after 65 steps. Minimization converged after 69 steps. Minimization converged after 49 steps. Minimization converged after 126 steps. Minimization converged after 50 steps. Minimization converged after 92 steps. Minimization converged after 74 steps. Minimization converged after 76 steps. Minimization converged after 80 steps. Minimization converged after 49 steps. Minimization converged after 71 steps. Minimization converged after 80 steps. Minimization converged after 73 steps. Minimization converged after 69 steps. Minimization converged after 64 steps. Minimization converged after 73 steps. Minimization converged after 80 steps. Minimization converged after 70 steps. Minimization converged after 52 steps. Minimization converged after 48 steps. Minimization converged after 61 steps. Minimization converged after 173 steps. Minimization converged after 64 steps. Minimization converged after 56 steps. Minimization converged after 94 steps. Minimization converged after 182 steps. Minimization converged after 56 steps. Minimization converged after 82 steps. Minimization converged after 62 steps. Minimization converged after 104 steps. Minimization converged after 71 steps. Minimization converged after 91 steps. Minimization converged after 71 steps. Minimization converged after 79 steps. Minimization converged after 111 steps. Minimization converged after 49 steps. Minimization converged after 57 steps. Minimization converged after 48 steps. Minimization converged after 54 steps. Minimization converged after 68 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 69 steps. Minimization converged after 48 steps. Minimization converged after 47 steps. Minimization converged after 89 steps. Minimization converged after 49 steps. Minimization converged after 85 steps. Minimization converged after 48 steps. Minimization converged after 147 steps. Minimization converged after 64 steps. Minimization converged after 51 steps. Minimization converged after 68 steps. Minimization converged after 54 steps. Minimization converged after 50 steps. Minimization converged after 62 steps. Minimization converged after 49 steps. Minimization converged after 87 steps. Minimization converged after 72 steps. Minimization converged after 88 steps. Minimization converged after 48 steps. Minimization converged after 79 steps. Minimization converged after 87 steps. Minimization converged after 89 steps. Minimization converged after 61 steps. Minimization converged after 91 steps. Minimization converged after 65 steps. Minimization converged after 54 steps. Minimization converged after 91 steps. Minimization converged after 74 steps. Minimization converged after 63 steps. Minimization converged after 82 steps. Minimization converged after 49 steps. Minimization converged after 83 steps. Minimization converged after 85 steps. Minimization converged after 74 steps. Minimization converged after 98 steps. Minimization converged after 102 steps. Minimization converged after 62 steps. Minimization converged after 70 steps. Minimization converged after 49 steps. Minimization converged after 57 steps. Minimization converged after 56 steps. Minimization converged after 72 steps. Minimization converged after 82 steps. Minimization converged after 101 steps. Minimization converged after 98 steps. Minimization converged after 48 steps. Minimization converged after 104 steps. Minimization converged after 68 steps. Minimization converged after 62 steps. Minimization converged after 48 steps. Minimization converged after 55 steps. Minimization converged after 97 steps. Minimization converged after 70 steps. Minimization converged after 60 steps. Minimization converged after 59 steps. Minimization converged after 67 steps. Minimization converged after 67 steps. Minimization converged after 96 steps. Minimization converged after 54 steps. Minimization converged after 112 steps. Minimization converged after 48 steps. Minimization converged after 69 steps. Minimization converged after 68 steps. Minimization converged after 48 steps. Minimization converged after 56 steps. Minimization converged after 48 steps. Minimization converged after 88 steps. Minimization converged after 76 steps. Minimization converged after 65 steps. Minimization converged after 52 steps. Minimization converged after 49 steps. Minimization converged after 94 steps. Minimization converged after 81 steps. Minimization converged after 104 steps. Minimization converged after 48 steps. Minimization converged after 61 steps. Minimization converged after 57 steps. Minimization converged after 48 steps. Minimization converged after 69 steps. Minimization converged after 124 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 93 steps. Minimization converged after 59 steps. Minimization converged after 91 steps. Minimization converged after 48 steps. Minimization converged after 94 steps. Minimization converged after 48 steps. Minimization converged after 75 steps. Minimization converged after 72 steps. Minimization converged after 66 steps. Minimization converged after 51 steps. Minimization converged after 48 steps. Minimization converged after 57 steps. Minimization converged after 81 steps. Minimization converged after 49 steps. Minimization converged after 63 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]: [[ 75.94698 49.02291 54.20653 -1.46637 -0.39917 6.81467] [ 49.02291 74.85886 58.05973 6.15255 7.84922 -16.57514] [ 54.20653 58.05973 83.70917 -8.1514 -3.19319 2.6944 ] [ -1.46637 6.15255 -8.1514 23.02746 -6.31247 12.897 ] [ -0.39917 7.84922 -3.19319 -6.31247 30.42148 5.19055] [ 6.81467 -16.57514 2.6944 12.897 5.19055 6.64413]] 95%% Error estimate [ASE units]: [[0.00042 0.0073 0.0024 0.00483 0.00022 0.006 ] [0.0073 0.00543 0.00328 0.00407 0.00156 0.00659] [0.0024 0.00328 0.00014 0.00267 0.00017 0.00082] [0.00483 0.00407 0.00267 0.00399 0.00272 0.00351] [0.00022 0.00156 0.00017 0.00272 0.00016 0.00075] [0.006 0.00659 0.00082 0.00351 0.00075 0.0092 ]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[12168.04679 7854.33543 8684.84355 -234.9376 -63.95456 1091.8301 ] [ 7854.33543 11993.71174 9302.19354 985.74705 1257.58395 -2655.63035] [ 8684.84355 9302.19354 13411.68695 -1305.99797 -511.6056 431.69012] [ -234.9376 985.74705 -1305.99797 3689.40553 -1011.36969 2066.32648] [ -63.95456 1257.58395 -511.6056 -1011.36969 4874.05826 831.61819] [ 1091.8301 -2655.63035 431.69012 2066.32648 831.61819 1064.50725]] 95 %% Error estimate [GPa]: [[0.0667 1.16895 0.38474 0.77442 0.03602 0.96164] [1.16895 0.86942 0.52511 0.65235 0.24964 1.05548] [0.38474 0.52511 0.02257 0.42804 0.02792 0.13191] [0.77442 0.65235 0.42804 0.63983 0.43638 0.56172] [0.03602 0.24964 0.02792 0.43638 0.02569 0.12017] [0.96164 1.05548 0.13191 0.56172 0.12017 1.47426]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 9875.47129 Unique elastic constants for space group 2 [GPa] ['c11', 'c12', 'c13', 'c14', 'c15', 'c16', 'c22', 'c23', 'c24', 'c25', 'c26', 'c33', 'c34', 'c35', 'c36', 'c44', 'c45', 'c46', 'c55', 'c56', 'c66'] [12168.04679425933, 7854.335427885028, 8684.843546843373, -234.93760379881357, -63.95456262225058, 1091.8301019208502, 11993.711740752118, 9302.193538087746, 985.7470476475714, 1257.583954285272, -2655.6303451314557, 13411.68694961524, -1305.9979681183327, -511.6055992984676, 431.69012471929045, 3689.405528912301, -1011.3696909683713, 2066.3264829163013, 4874.058260956978, 831.6181859254989, 1064.5072465975552] WARNING: Nearest isotropic state not computed. ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0.4450407 0.86421986 0.04541808] [0.15312384 0.96403075 0.52763333] [0.99715205 0.80296644 0.86350117] [0.18664016 0.10483029 0.67901937] [0.44744338 0.1731464 0.43722592] [0.03136818 0.08472194 0.74020379] [0.64306492 0.08838294 0.46727575] [0.56149189 0.44675179 0.35948116] [0.2827987 0.76065336 0.66825463] [0.70642713 0.62349399 0.26479196] [0.82484063 0.76315473 0.16709067] [0.45043525 0.47741464 0.83126618] [0.5543952 0.33615967 0.5583216 ] [0.36620923 0.17077366 0.90216677] [0.54586358 0.64697471 0.96172467] [0.00146699 0.16236759 0.56616949] [0.04331914 0.61511688 0.65879814] [0.3341048 0.5445778 0.22983741] [0.25472928 0.71216496 0.88986406] [0.24239011 0.44105469 0.50005664] [0.4765901 0.00520467 0.74028877] [0.95382243 0.30374745 0.9027887 ] [0.23506827 0.15072367 0.06284068] [0.20703655 0.01968883 0.32335357]] spacegroup = 2 cell = [[6.9171, 0, 0], [0.29638240810689, 3.217678846337, 0], [-1.5596380991053, 1.5727945720353, 7.2809363679403]] ========================================= 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 72 steps. Minimization converged after 85 steps. Minimization converged after 49 steps. Minimization converged after 86 steps. Minimization converged after 49 steps. Minimization converged after 52 steps. Minimization converged after 55 steps. Minimization converged after 73 steps. Minimization converged after 51 steps. Minimization converged after 52 steps. Minimization converged after 165 steps. Minimization converged after 69 steps. Minimization converged after 93 steps. Minimization converged after 48 steps. Minimization converged after 77 steps. Minimization converged after 72 steps. Minimization converged after 114 steps. Minimization converged after 84 steps. Minimization converged after 81 steps. Minimization converged after 87 steps. Minimization converged after 119 steps. Minimization converged after 47 steps. Minimization converged after 63 steps. Minimization converged after 48 steps. Minimization converged after 45 steps. Minimization converged after 57 steps. Minimization converged after 89 steps. Minimization converged after 101 steps. Minimization converged after 45 steps. Minimization converged after 97 steps. Minimization converged after 71 steps. Minimization converged after 83 steps. Minimization converged after 120 steps. Minimization converged after 130 steps. Minimization converged after 61 steps. Minimization converged after 56 steps. Minimization converged after 53 steps. Minimization converged after 44 steps. Minimization converged after 94 steps. Minimization converged after 53 steps. Minimization converged after 99 steps. Minimization converged after 123 steps. Minimization converged after 81 steps. Minimization converged after 46 steps. Minimization converged after 47 steps. Minimization converged after 106 steps. Minimization converged after 74 steps. Minimization converged after 99 steps. Minimization converged after 113 steps. Minimization converged after 48 steps. Minimization converged after 48 steps. Minimization converged after 47 steps. Minimization converged after 131 steps. Minimization converged after 86 steps. Minimization converged after 100 steps. Minimization converged after 67 steps. Minimization converged after 115 steps. Minimization converged after 48 steps. Minimization converged after 108 steps. Minimization converged after 125 steps. Minimization converged after 124 steps. Minimization converged after 49 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 1.70612055e-06 5.48658577e-07 1.76342002e-06] [ 9.50057165e-07 -7.63580294e-07 -3.44373594e-07] [-4.96308575e-06 -1.61709843e-06 -1.29360305e-06] [-1.07776639e-06 -4.93441920e-07 2.45404850e-06] [ 3.33618908e-06 7.57869517e-06 -4.67317118e-06] [ 1.70332823e-06 3.20862337e-06 -5.82334666e-06] [-2.38899482e-06 3.88026969e-07 2.16390447e-06] [ 1.11900682e-06 -5.25393751e-07 -3.56643882e-07] [-2.84522168e-06 -1.12600360e-06 1.32784705e-06] [-3.99496809e-06 -1.81980009e-06 1.87414502e-06] [-1.76796217e-06 -4.01381993e-06 5.04932414e-06] [-2.71653834e-06 -3.24458495e-06 4.27815577e-06] [ 4.90655638e-06 2.43591517e-06 -7.22410247e-06] [ 2.46611638e-06 3.80228294e-06 -3.52906214e-06] [ 1.26651365e-06 -1.34186398e-06 1.90951528e-06] [ 2.81030212e-06 -3.23093028e-06 4.12020756e-07] [-3.19013779e-06 -7.60786324e-06 5.99453228e-06] [-2.35889443e-06 1.89961749e-06 6.47274531e-07] [-8.66674109e-07 -4.19359110e-06 4.03216617e-06] [ 1.23436017e-06 6.26298923e-06 5.01435910e-07] [ 3.52766052e-06 -2.08980197e-06 -1.92651815e-06] [ 2.38130562e-06 1.62750104e-07 -2.36470548e-06] [ 2.92653875e-07 4.01748969e-07 -3.71684734e-08] [-1.04675493e-06 -8.64466431e-08 8.72049592e-07] [-6.04646678e-07 2.08698198e-06 1.03596941e-06] [-2.40234738e-07 -1.01688728e-06 1.07750826e-06] [-2.37824449e-06 1.05688746e-06 -1.78217085e-06] [-3.89530782e-06 4.43062358e-07 -3.16732860e-06] [ 6.61357156e-07 3.78885497e-07 -8.35986831e-07] [-9.81682492e-07 -8.10578739e-07 1.04798462e-06] [ 2.47084801e-07 -1.40974310e-06 -2.20034561e-06] [ 2.24548003e-06 8.41577280e-07 -5.88222828e-07] [ 1.82077483e-06 2.80881906e-06 5.18874093e-07] [-6.51792594e-08 1.49996170e-06 -2.40493318e-06] [-3.16947592e-07 -3.79943033e-07 -2.14030763e-06] [-2.85060183e-07 3.58439955e-07 -9.75654517e-07] [-1.89789855e-06 -8.97060628e-07 -2.67664548e-06] [ 1.85822284e-06 1.18222622e-06 1.01960121e-07] [ 3.26485692e-06 1.44175471e-06 -1.53567632e-06] [-9.68177787e-07 1.26936810e-06 2.26981981e-07] [ 2.98735061e-07 -1.14438571e-07 -1.08880119e-06] [ 1.31703959e-06 2.72518533e-06 -3.22868949e-07] [-3.33479551e-06 -5.74039401e-06 2.33655704e-06] [ 3.74028917e-07 -4.22599781e-07 3.10597648e-06] [ 1.42199864e-06 1.99686552e-07 1.35449052e-06] [-6.00670517e-07 1.23667596e-06 1.25901906e-06] [ 5.02163170e-07 -1.70734170e-06 1.17353941e-06] [ 1.07393149e-06 4.34386824e-07 7.72936609e-07]] Final stress: [ 0.00050143 -0.00061371 -0.00148876 0.00633416 0.0012638 -0.00488444] Minimization converged after 49 steps. Minimization converged after 68 steps. Minimization converged after 124 steps. Minimization converged after 122 steps. Minimization converged after 63 steps. Minimization converged after 109 steps. Minimization converged after 89 steps. Minimization converged after 90 steps. Minimization converged after 50 steps. Minimization converged after 57 steps. Minimization converged after 70 steps. Minimization converged after 47 steps. Minimization converged after 97 steps. Minimization converged after 57 steps. Minimization converged after 74 steps. Minimization converged after 137 steps. Minimization converged after 91 steps. Minimization converged after 55 steps. Minimization converged after 117 steps. Minimization converged after 99 steps. Minimization converged after 47 steps. Minimization converged after 66 steps. Minimization converged after 59 steps. Minimization converged after 42 steps. Minimization converged after 61 steps. Minimization converged after 79 steps. Minimization converged after 94 steps. Minimization converged after 104 steps. Minimization converged after 51 steps. Minimization converged after 74 steps. Minimization converged after 45 steps. Minimization converged after 66 steps. Minimization converged after 78 steps. Minimization converged after 74 steps. Minimization converged after 156 steps. Minimization converged after 88 steps. Minimization converged after 85 steps. Minimization converged after 115 steps. Minimization converged after 67 steps. Minimization converged after 65 steps. Minimization converged after 97 steps. Minimization converged after 43 steps. Minimization converged after 93 steps. Minimization converged after 61 steps. Minimization converged after 97 steps. Minimization converged after 87 steps. Minimization converged after 54 steps. Minimization converged after 69 steps. Minimization converged after 70 steps. Minimization converged after 160 steps. Minimization converged after 153 steps. Minimization converged after 186 steps. Minimization converged after 46 steps. Minimization converged after 96 steps. Minimization converged after 47 steps. Minimization converged after 45 steps. Minimization converged after 44 steps. Minimization converged after 66 steps. Minimization converged after 59 steps. Minimization converged after 66 steps. Minimization converged after 101 steps. Minimization converged after 50 steps. Minimization converged after 79 steps. Minimization converged after 76 steps. Minimization converged after 49 steps. Minimization converged after 48 steps. Minimization converged after 45 steps. Minimization converged after 47 steps. Minimization converged after 92 steps. Minimization converged after 42 steps. Minimization converged after 59 steps. Minimization converged after 70 steps. Minimization converged after 96 steps. Minimization converged after 51 steps. Minimization converged after 93 steps. Minimization converged after 53 steps. Minimization converged after 95 steps. Minimization converged after 69 steps. Minimization converged after 84 steps. Minimization converged after 71 steps. Minimization converged after 65 steps. Minimization converged after 67 steps. Minimization converged after 99 steps. Minimization converged after 162 steps. Minimization converged after 43 steps. Minimization converged after 45 steps. Minimization converged after 50 steps. Minimization converged after 72 steps. Minimization converged after 78 steps. Minimization converged after 47 steps. Minimization converged after 95 steps. Minimization converged after 69 steps. Minimization converged after 88 steps. Minimization converged after 87 steps. Minimization converged after 132 steps. Minimization converged after 116 steps. Minimization converged after 94 steps. Minimization converged after 53 steps. Minimization converged after 48 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 3.78931677e-06 -4.55178772e-07 3.66346623e-07] [ 7.61198556e-07 -2.82506728e-06 -6.07613629e-07] [-4.20234322e-06 -1.75870952e-06 1.26673887e-06] [-4.37207238e-07 -2.25031893e-06 -3.22692369e-06] [-1.11723802e-06 -1.99069852e-06 -1.78719580e-06] [-6.94039559e-07 1.12045575e-07 3.30915649e-06] [ 1.29288426e-06 4.92587833e-08 1.58856810e-06] [ 2.99989461e-06 1.63143816e-06 -1.20881530e-06] [ 2.73240613e-06 7.80967202e-07 2.31988038e-06] [-2.83817986e-06 4.55465431e-07 -3.12460908e-06] [ 8.70846955e-07 9.53993843e-07 3.67443997e-06] [-3.03123045e-06 1.98598809e-06 7.57358482e-07] [-1.15751585e-06 -2.85195774e-07 2.18188240e-06] [ 1.97723891e-06 -3.23562707e-06 2.27881452e-06] [ 9.31716616e-07 2.16814851e-06 3.61463292e-06] [-6.30172233e-06 2.82006786e-06 -4.95198764e-06] [ 1.63131947e-07 4.42691282e-07 -1.78873083e-06] [ 1.85522647e-06 -4.48601799e-06 -3.40217185e-07] [-1.18111076e-06 1.25217042e-06 4.63030111e-06] [ 4.30452195e-06 -1.61042187e-06 -2.67518219e-06] [ 3.66454024e-06 8.01560654e-07 -2.40595386e-06] [-3.74021851e-06 -3.61418084e-06 1.49016318e-06] [-4.02126010e-06 -1.90698767e-06 -1.26795888e-06] [-1.85559263e-07 -2.26323010e-06 -2.48252368e-06] [-2.40268447e-06 -1.67924652e-06 -1.95539665e-06] [ 2.44986295e-06 2.61985213e-07 1.09292904e-06] [ 2.78789851e-06 -7.18002621e-08 3.33502799e-06] [-4.82130332e-06 4.01453168e-07 -4.25164905e-06] [-2.11317217e-08 1.17377967e-06 2.67061394e-06] [-3.98745793e-08 2.56255589e-06 1.43645349e-06] [ 1.84425615e-06 -3.36080839e-07 -1.22497236e-06] [ 1.55929777e-07 1.68955107e-06 1.40784704e-06] [-1.63532009e-06 3.00278492e-06 -4.17930428e-06] [ 1.04161912e-07 -2.50318873e-07 -1.77899744e-06] [-6.82485493e-06 -5.64843199e-07 -3.26312011e-06] [ 9.31365445e-06 -5.37396984e-07 6.37602207e-06] [ 1.60782153e-06 1.24315397e-06 -1.04518635e-06] [-8.29348091e-07 5.99889654e-07 2.71731468e-06] [-8.13238473e-07 1.65091821e-06 -1.30420713e-07] [ 1.47608381e-06 -1.31836758e-06 -2.04286842e-06] [-1.72009923e-06 4.46159229e-06 2.20552379e-07] [ 3.88974191e-06 2.06781102e-06 -3.78927147e-07] [-1.49509348e-06 2.60463984e-06 -3.82211511e-06] [ 5.73211238e-07 -1.27397193e-06 2.96850011e-06] [-3.89279954e-07 -1.61109624e-06 2.29060405e-06] [-1.16685703e-06 -6.98536452e-07 -4.88793049e-07] [ 1.38479053e-06 -2.05198806e-07 -1.73082143e-06] [ 1.36374435e-07 5.45813321e-08 1.66136051e-07]] Final stress: [-0.00386479 -0.00080615 -0.00191674 -0.00071059 -0.00273691 -0.00013481] Minimization converged after 85 steps. Minimization converged after 123 steps. Minimization converged after 103 steps. Minimization converged after 45 steps. Minimization converged after 45 steps. Minimization converged after 72 steps. Minimization converged after 86 steps. Minimization converged after 145 steps. Minimization converged after 71 steps. Minimization converged after 87 steps. Minimization converged after 83 steps. Minimization converged after 91 steps. Minimization converged after 76 steps. Minimization converged after 117 steps. Minimization converged after 65 steps. Minimization converged after 82 steps. Minimization converged after 45 steps. Minimization converged after 126 steps. Minimization converged after 116 steps. Minimization converged after 86 steps. Minimization converged after 47 steps. Minimization converged after 38 steps. Minimization converged after 87 steps. Minimization converged after 101 steps. Minimization converged after 42 steps. Minimization converged after 42 steps. Minimization converged after 42 steps. Minimization converged after 45 steps. Minimization converged after 77 steps. Minimization converged after 68 steps. Minimization converged after 64 steps. Minimization converged after 45 steps. Minimization converged after 58 steps. Minimization converged after 79 steps. Minimization converged after 98 steps. Minimization converged after 76 steps. Minimization converged after 46 steps. Minimization converged after 46 steps. Minimization converged after 44 steps. Minimization converged after 46 steps. Minimization converged after 57 steps. Minimization converged after 44 steps. Minimization converged after 48 steps. Minimization converged after 41 steps. Minimization converged after 97 steps. Minimization converged after 87 steps. Minimization converged after 70 steps. Minimization converged after 51 steps. Minimization converged after 44 steps. Minimization converged after 101 steps. Minimization converged after 45 steps. Minimization converged after 65 steps. Minimization converged after 133 steps. Minimization converged after 100 steps. Minimization converged after 177 steps. Minimization converged after 101 steps. Minimization converged after 72 steps. Minimization converged after 70 steps. Minimization converged after 42 steps. Minimization converged after 36 steps. Minimization converged after 83 steps. Minimization converged after 43 steps. Minimization converged after 43 steps. Minimization converged after 93 steps. Minimization converged after 45 steps. Minimization converged after 57 steps. Minimization converged after 78 steps. Minimization converged after 88 steps. Minimization converged after 69 steps. Minimization converged after 87 steps. Minimization converged after 146 steps. Minimization converged after 73 steps. Minimization converged after 67 steps. Minimization converged after 69 steps. Minimization converged after 70 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 119 steps. Minimization converged after 41 steps. Minimization converged after 76 steps. Minimization converged after 181 steps. Minimization converged after 101 steps. Minimization converged after 47 steps. Minimization converged after 92 steps. Minimization converged after 43 steps. Minimization converged after 65 steps. Minimization converged after 110 steps. Minimization converged after 69 steps. Minimization converged after 74 steps. Minimization converged after 40 steps. Minimization converged after 101 steps. Minimization converged after 66 steps. Minimization converged after 82 steps. Minimization converged after 137 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 99 steps. Minimization converged after 45 steps. Minimization converged after 63 steps. Minimization converged after 82 steps. Minimization converged after 75 steps. Minimization converged after 75 steps. Minimization converged after 191 steps. Minimization converged after 104 steps. Minimization converged after 151 steps. Minimization converged after 83 steps. Minimization converged after 58 steps. Minimization converged after 103 steps. Minimization converged after 70 steps. Minimization converged after 70 steps. Minimization converged after 47 steps. Minimization converged after 57 steps. Minimization converged after 71 steps. Minimization converged after 86 steps. Minimization converged after 101 steps. Minimization converged after 130 steps. Minimization converged after 49 steps. Minimization converged after 61 steps. Minimization converged after 66 steps. Minimization converged after 45 steps. Minimization converged after 55 steps. Minimization converged after 70 steps. Minimization converged after 86 steps. Minimization converged after 133 steps. Minimization converged after 44 steps. Minimization converged after 80 steps. Minimization converged after 64 steps. Minimization converged after 43 steps. Minimization converged after 84 steps. Minimization converged after 43 steps. Minimization converged after 104 steps. Minimization converged after 32 steps. Minimization converged after 125 steps. Minimization converged after 45 steps. Minimization converged after 86 steps. Minimization converged after 125 steps. Minimization converged after 74 steps. Minimization converged after 42 steps. Minimization converged after 96 steps. Minimization converged after 65 steps. Minimization converged after 72 steps. Minimization converged after 105 steps. Minimization converged after 95 steps. Minimization converged after 129 steps. Minimization converged after 90 steps. Minimization converged after 45 steps. Minimization converged after 71 steps. Minimization converged after 120 steps. Minimization converged after 42 steps. Minimization converged after 43 steps. Minimization converged after 68 steps. Minimization converged after 51 steps. Minimization converged after 32 steps. Minimization converged after 61 steps. Minimization converged after 123 steps. Minimization converged after 72 steps. Minimization converged after 84 steps. Minimization converged after 127 steps. Minimization converged after 114 steps. Minimization converged after 88 steps. Minimization converged after 67 steps. Minimization converged after 89 steps. Minimization converged after 52 steps. Minimization converged after 89 steps. Minimization converged after 87 steps. Minimization converged after 62 steps. Minimization converged after 179 steps. Minimization converged after 50 steps. Minimization converged after 70 steps. Minimization converged after 102 steps. Minimization converged after 84 steps. Minimization converged after 43 steps. Minimization converged after 44 steps. Minimization converged after 42 steps. Minimization converged after 76 steps. Minimization converged after 78 steps. Minimization converged after 156 steps. Minimization converged after 87 steps. Minimization converged after 95 steps. Minimization converged after 59 steps. Minimization converged after 73 steps. Minimization converged after 48 steps. Minimization converged after 61 steps. Minimization converged after 88 steps. Minimization converged after 61 steps. Minimization converged after 91 steps. Minimization converged after 70 steps. Minimization converged after 70 steps. Minimization converged after 62 steps. Minimization converged after 83 steps. Minimization converged after 39 steps. Minimization converged after 80 steps. Minimization converged after 71 steps. Minimization converged after 55 steps. Minimization converged after 65 steps. Minimization converged after 46 steps. Minimization converged after 58 steps. Minimization converged after 105 steps. Minimization converged after 92 steps. Minimization converged after 72 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[ 2.75651607e-06 4.29677303e-07 5.08852538e-06] [-4.27023098e-06 4.13039314e-06 2.06733025e-06] [-3.48853206e-06 2.94056996e-06 1.21013537e-06] [ 1.65035501e-06 -3.98680394e-06 1.21305083e-07] [ 4.06094258e-06 3.41812171e-06 -7.83803512e-07] [ 6.66914205e-07 2.29314069e-07 -6.86838574e-07] [ 9.78738123e-07 -9.73559229e-07 -4.67727871e-06] [-3.04787927e-06 4.15754641e-06 1.46010560e-06] [-1.97408132e-06 8.40478221e-08 -1.24011390e-06] [-3.53674114e-06 -4.79853818e-07 -7.63262104e-07] [-4.53774012e-06 -5.02791942e-06 3.51906534e-06] [-2.75783327e-06 -1.57441160e-06 -6.96112207e-06] [ 2.88833189e-06 4.62570262e-06 1.68580403e-06] [ 2.96009694e-06 -4.65633031e-06 1.14525094e-05] [-7.37508173e-06 2.01911667e-06 -2.49703664e-06] [-2.78458988e-06 1.87452436e-06 -2.00673625e-06] [ 9.31453061e-06 8.05627448e-06 -6.77003125e-06] [ 1.43097296e-06 -1.44225713e-05 3.73994557e-06] [ 6.01240762e-06 8.86844420e-06 2.14473396e-06] [ 2.36633190e-06 -6.59052611e-06 6.24923794e-06] [ 3.71359755e-06 2.65859530e-06 6.24008900e-06] [ 2.83974223e-06 4.35971461e-06 -3.68120708e-07] [-3.60255840e-06 -8.92493510e-06 1.00864655e-06] [ 8.03480926e-07 6.63117062e-07 -4.23374418e-06] [ 7.43815190e-06 -2.62284132e-06 2.36779017e-06] [-4.89105498e-06 3.45906992e-06 -9.05755395e-07] [ 5.65209726e-06 7.63181319e-06 -5.33196506e-06] [-8.04777285e-06 1.90360400e-08 -1.88237398e-06] [-9.62786939e-07 -1.16321956e-06 7.98883485e-08] [ 5.33256909e-06 -1.43503319e-06 -7.17875673e-07] [ 1.59160171e-06 -1.83517612e-07 -6.60253287e-06] [-2.46802473e-06 1.68057871e-06 1.40634664e-05] [-2.63342057e-07 1.57956095e-06 -2.66594280e-06] [ 1.17768519e-06 3.81541817e-07 -1.18332107e-06] [ 5.16688835e-06 -4.24630014e-07 2.03472916e-06] [ 4.24824554e-06 -9.59200301e-06 5.05412871e-06] [-9.06009829e-06 -6.19041764e-06 1.15440094e-06] [ 2.58809432e-07 -3.57805483e-06 1.18363230e-06] [ 8.23140063e-07 -4.67421525e-06 2.47015008e-06] [-2.06049051e-06 -6.32759669e-07 1.30615857e-06] [-3.84905718e-06 4.24331208e-06 -4.48120308e-06] [-1.35825184e-06 -2.07021038e-06 -3.12786227e-06] [-8.33981723e-06 -3.06325879e-06 1.11394411e-07] [ 2.03747264e-07 1.09123803e-06 -2.02297025e-06] [-4.37596193e-06 3.13478389e-06 7.36250599e-06] [ 8.13687543e-06 2.44203767e-06 -6.75609887e-06] [-2.07606794e-06 3.29434107e-06 -9.92170568e-06] [ 2.65522477e-06 4.79459903e-06 -6.58798352e-06]] Final stress: [ 1.80457462e-03 1.71371360e-03 8.20954623e-04 -6.92296306e-05 1.26724660e-04 1.68992402e-04] Minimization converged after 145 steps. Minimization converged after 82 steps. Minimization converged after 113 steps. Minimization converged after 65 steps. Minimization converged after 87 steps. Minimization converged after 64 steps. Minimization converged after 82 steps. Minimization converged after 64 steps. Minimization converged after 48 steps. Minimization converged after 73 steps. Minimization converged after 83 steps. Minimization converged after 75 steps. Minimization converged after 53 steps. Minimization converged after 34 steps. Minimization converged after 94 steps. Minimization converged after 116 steps. Minimization converged after 41 steps. Minimization converged after 83 steps. Minimization converged after 98 steps. Minimization converged after 89 steps. Minimization converged after 42 steps. Minimization converged after 69 steps. Minimization converged after 69 steps. Minimization converged after 141 steps. Minimization converged after 92 steps. Minimization converged after 102 steps. Minimization converged after 114 steps. Minimization converged after 86 steps. Minimization converged after 41 steps. Minimization converged after 136 steps. Minimization converged after 99 steps. Minimization converged after 70 steps. Minimization converged after 80 steps. Minimization converged after 83 steps. Minimization converged after 80 steps. Minimization converged after 68 steps. Minimization converged after 81 steps. Minimization converged after 41 steps. Minimization converged after 77 steps. Minimization converged after 84 steps. Minimization converged after 121 steps. Minimization converged after 91 steps. Minimization converged after 71 steps. Minimization converged after 81 steps. Minimization converged after 81 steps. Minimization converged after 34 steps. Minimization converged after 70 steps. Minimization converged after 76 steps. Minimization converged after 70 steps. Minimization converged after 37 steps. Minimization converged after 103 steps. Minimization converged after 41 steps. Minimization converged after 80 steps. Minimization converged after 43 steps. Minimization converged after 55 steps. Minimization converged after 43 steps. Minimization converged after 41 steps. Minimization converged after 143 steps. Minimization converged after 41 steps. Minimization converged after 100 steps. Minimization converged after 87 steps. Minimization converged after 83 steps. Minimization converged after 36 steps. Minimization converged after 70 steps. Minimization converged after 59 steps. Minimization converged after 43 steps. Minimization converged after 92 steps. Minimization converged after 60 steps. Minimization converged after 85 steps. Minimization converged after 93 steps. Minimization converged after 39 steps. Minimization converged after 75 steps. Minimization converged after 171 steps. Minimization converged after 77 steps. Minimization converged after 50 steps. Minimization converged after 86 steps. Minimization converged after 39 steps. Minimization converged after 122 steps. Minimization converged after 78 steps. Minimization converged after 127 steps. Minimization converged after 68 steps. Minimization converged after 83 steps. Minimization converged after 42 steps. Minimization converged after 64 steps. Minimization converged after 97 steps. Minimization converged after 54 steps. Minimization converged after 97 steps. Minimization converged after 146 steps. Minimization converged after 96 steps. Minimization converged after 97 steps. Minimization converged after 58 steps. Minimization converged after 56 steps. Minimization converged after 38 steps. Minimization converged after 66 steps. Minimization converged after 68 steps. Minimization converged after 70 steps. Minimization converged after 91 steps. Minimization converged after 55 steps. Minimization converged after 93 steps. Minimization converged after 51 steps. Minimization stopped after hitting the maximum of 200 steps. Final forces: [[-1.66934392e-06 5.78652510e-06 1.83811019e-07] [-3.71621049e-06 -1.49964830e-06 -4.62489889e-07] [ 3.77736427e-06 3.82644950e-07 1.03760340e-06] [-1.04558548e-06 1.36635960e-06 2.69340045e-06] [-1.75580987e-06 -6.03046012e-06 5.27580097e-06] [-2.82913901e-06 -3.76024065e-06 4.44685750e-06] [ 1.82153083e-06 -2.23686231e-06 -1.21407846e-06] [ 9.57078822e-07 1.15966227e-06 9.70015149e-07] [-9.14924074e-07 -5.79137535e-08 3.49628691e-07] [ 2.56674114e-07 -1.17626568e-06 2.03074734e-06] [ 5.66337545e-07 1.10650418e-06 -4.19688514e-06] [-2.68374490e-07 2.55365085e-06 -6.46714041e-06] [ 8.31288043e-07 1.75066916e-06 6.15832703e-07] [-2.23075127e-07 7.73826447e-08 -3.97677750e-07] [ 2.53456517e-06 2.61698977e-07 -1.74660107e-06] [-2.28632685e-06 1.37876165e-06 -1.20139191e-06] [-5.16602973e-06 2.63764964e-06 -7.62385121e-08] [-5.21782555e-07 -7.78907849e-07 1.47824890e-06] [-4.24126952e-06 -9.00427425e-08 -2.07118177e-06] [-2.98541600e-06 3.20460970e-06 4.24252932e-06] [ 5.92799383e-06 9.93706460e-07 -1.67745792e-06] [ 1.44266196e-06 6.39225564e-06 -1.39142791e-06] [-3.20753086e-06 1.99288231e-06 -1.73201541e-07] [-8.18414998e-07 -1.49449325e-06 2.07217776e-06] [ 2.26131358e-06 -1.34221512e-06 -3.69930100e-06] [ 1.52661335e-07 -4.76956664e-07 3.82849554e-07] [ 4.81962130e-06 -8.54766263e-07 2.60659607e-06] [-3.48449015e-06 3.09167049e-07 -3.37096391e-06] [ 8.65560262e-07 -2.41542863e-06 -8.00775891e-07] [ 1.63450107e-06 2.29851312e-06 7.85195973e-07] [ 1.14272690e-08 -3.00434901e-07 -1.29585519e-06] [-1.75465515e-06 2.40753012e-07 1.36077910e-06] [ 1.28196485e-07 -1.90296777e-07 -1.77013657e-07] [-1.00204788e-06 -2.26650550e-06 4.03338195e-07] [ 8.75991899e-06 1.88593736e-06 -4.61063448e-07] [-1.21837500e-06 -3.58404284e-06 1.76850861e-06] [ 3.58726588e-06 -1.10047644e-05 -3.08003261e-06] [-7.35915838e-07 2.54540028e-06 1.81400550e-07] [-4.01042414e-07 -6.25835681e-07 1.20884699e-06] [-3.17646878e-06 -2.33862602e-06 -1.87713977e-07] [ 4.09643647e-06 7.40788901e-07 1.85742131e-06] [-3.37579520e-06 -2.35436519e-06 -2.08624889e-08] [ 2.78756699e-06 4.92006522e-06 3.77163998e-06] [-1.94140770e-06 1.50999549e-06 -5.13030814e-06] [-7.05397342e-07 -2.33095241e-06 1.01368258e-06] [ 4.95791049e-07 2.75677242e-07 4.39870901e-06] [-1.51778499e-07 1.00783398e-06 8.72217333e-07] [ 1.88085167e-06 4.30930300e-07 -6.70817590e-06]] Final stress: [ 2.08192246e-04 3.76411838e-05 -3.15473650e-04 -3.96787689e-04 3.85517247e-05 6.67351384e-05] Minimization converged after 55 steps. Minimization converged after 31 steps. Minimization converged after 35 steps. Minimization converged after 134 steps. Minimization converged after 85 steps. Minimization converged after 38 steps. Minimization converged after 141 steps. Minimization converged after 83 steps. Minimization converged after 38 steps. Minimization converged after 91 steps. Minimization converged after 81 steps. Minimization converged after 85 steps. Minimization converged after 59 steps. Minimization converged after 41 steps. Minimization converged after 128 steps. Minimization converged after 91 steps. Minimization converged after 36 steps. Minimization converged after 87 steps. Minimization converged after 43 steps. Minimization converged after 42 steps. Minimization converged after 123 steps. Minimization converged after 105 steps. Minimization converged after 92 steps. Minimization converged after 86 steps. Minimization converged after 44 steps. Minimization converged after 63 steps. Minimization converged after 85 steps. Minimization converged after 117 steps. Minimization converged after 123 steps. Minimization converged after 40 steps. Minimization converged after 64 steps. Minimization converged after 71 steps. Minimization converged after 42 steps. Minimization converged after 81 steps. Minimization converged after 114 steps. Minimization converged after 64 steps. Minimization converged after 89 steps. Minimization converged after 69 steps. Minimization converged after 85 steps. Minimization converged after 79 steps. Minimization converged after 86 steps. Minimization converged after 77 steps. Minimization converged after 44 steps. Minimization converged after 93 steps. Minimization converged after 78 steps. Minimization converged after 103 steps. Minimization converged after 86 steps. Minimization converged after 32 steps. Minimization converged after 100 steps. Minimization converged after 101 steps. Minimization converged after 144 steps. Minimization converged after 89 steps. Minimization converged after 41 steps. Minimization converged after 80 steps. Minimization converged after 144 steps. Minimization converged after 60 steps. Minimization converged after 59 steps. Minimization converged after 64 steps. Minimization converged after 73 steps. Minimization converged after 44 steps. Minimization converged after 60 steps. Minimization converged after 112 steps. Minimization converged after 41 steps. Minimization converged after 69 steps. Minimization converged after 41 steps. Minimization converged after 70 steps. Minimization converged after 88 steps. Minimization converged after 32 steps. Minimization converged after 100 steps. Minimization converged after 104 steps. Minimization converged after 77 steps. Minimization converged after 104 steps. Minimization converged after 88 steps. Minimization converged after 50 steps. Minimization converged after 141 steps. Minimization converged after 64 steps. Minimization converged after 40 steps. Minimization converged after 75 steps. Minimization converged after 88 steps. Minimization converged after 47 steps. Minimization converged after 52 steps. Minimization converged after 185 steps. Minimization converged after 76 steps. Minimization converged after 80 steps. Minimization converged after 96 steps. Minimization converged after 115 steps. Minimization converged after 80 steps. Minimization converged after 75 steps. Minimization converged after 87 steps. Minimization converged after 63 steps. Minimization converged after 32 steps. Minimization converged after 32 steps. Minimization converged after 45 steps. Minimization converged after 78 steps. Minimization converged after 100 steps. Minimization converged after 42 steps. Minimization converged after 98 steps. Minimization converged after 68 steps. Minimization converged after 56 steps. Minimization converged after 40 steps. Minimization converged after 53 steps. Minimization converged after 40 steps. Minimization converged after 43 steps. Minimization converged after 164 steps. Minimization converged after 84 steps. Minimization converged after 83 steps. Minimization converged after 92 steps. Minimization converged after 34 steps. Minimization converged after 84 steps. Minimization converged after 81 steps. Minimization converged after 98 steps. Minimization converged after 51 steps. Minimization converged after 150 steps. Minimization converged after 119 steps. Minimization converged after 127 steps. Minimization converged after 38 steps. Minimization converged after 31 steps. Minimization converged after 62 steps. Minimization converged after 162 steps. Minimization converged after 53 steps. Minimization converged after 83 steps. Minimization converged after 65 steps. Minimization converged after 33 steps. Minimization converged after 65 steps. Minimization converged after 79 steps. Minimization converged after 61 steps. Minimization converged after 80 steps. Minimization converged after 174 steps. Minimization converged after 32 steps. Minimization converged after 91 steps. Minimization converged after 80 steps. Minimization converged after 91 steps. Minimization converged after 177 steps. Minimization converged after 76 steps. Minimization converged after 87 steps. Minimization converged after 32 steps. Minimization converged after 76 steps. Minimization converged after 104 steps. Minimization converged after 66 steps. Minimization converged after 107 steps. Minimization converged after 116 steps. Minimization converged after 62 steps. Minimization converged after 81 steps. Minimization converged after 48 steps. Minimization converged after 57 steps. Minimization converged after 56 steps. Minimization converged after 77 steps. Minimization converged after 45 steps. Minimization converged after 86 steps. Minimization converged after 104 steps. Minimization converged after 92 steps. Minimization converged after 72 steps. Minimization converged after 69 steps. Minimization converged after 70 steps. Minimization converged after 163 steps. Minimization converged after 33 steps. Minimization converged after 62 steps. Minimization converged after 117 steps. Minimization converged after 91 steps. Minimization converged after 84 steps. Minimization converged after 65 steps. Minimization converged after 56 steps. Minimization converged after 31 steps. Minimization converged after 73 steps. Minimization converged after 93 steps. Minimization converged after 64 steps. Minimization converged after 50 steps. Minimization converged after 66 steps. Minimization converged after 131 steps. Minimization converged after 89 steps. Minimization converged after 76 steps. Minimization converged after 69 steps. Minimization converged after 56 steps. Minimization converged after 97 steps. Minimization converged after 90 steps. Minimization converged after 79 steps. Minimization converged after 77 steps. Minimization converged after 76 steps. Minimization converged after 73 steps. Minimization converged after 121 steps. Minimization converged after 119 steps. Minimization converged after 24 steps. Minimization converged after 100 steps. Minimization converged after 93 steps. Minimization converged after 125 steps. Minimization converged after 82 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 52 steps. Minimization converged after 79 steps. Minimization converged after 97 steps. Minimization converged after 80 steps. Minimization converged after 124 steps. Minimization converged after 63 steps. Minimization converged after 194 steps. Minimization converged after 83 steps. Minimization converged after 69 steps. Minimization converged after 97 steps. Minimization converged after 66 steps. Minimization converged after 72 steps. Minimization converged after 67 steps. Minimization converged after 69 steps. Minimization converged after 81 steps. Minimization converged after 64 steps. Minimization converged after 36 steps. Minimization converged after 69 steps. Minimization converged after 145 steps. Minimization converged after 31 steps. Minimization converged after 79 steps. Minimization converged after 93 steps. Minimization converged after 78 steps. Minimization converged after 60 steps. Minimization converged after 113 steps. Minimization converged after 61 steps. Minimization converged after 59 steps. Minimization converged after 120 steps. Minimization converged after 32 steps. Minimization converged after 30 steps. Minimization converged after 74 steps. Minimization converged after 31 steps. Minimization converged after 78 steps. Minimization converged after 38 steps. Minimization converged after 32 steps. Minimization converged after 89 steps. Minimization converged after 166 steps. Minimization converged after 82 steps. Minimization converged after 66 steps. Minimization converged after 81 steps. Minimization converged after 75 steps. Minimization converged after 71 steps. Minimization converged after 64 steps. Minimization converged after 80 steps. Minimization converged after 81 steps. Minimization converged after 90 steps. Minimization converged after 70 steps. Minimization converged after 58 steps. Minimization converged after 84 steps. Minimization converged after 50 steps. Minimization converged after 32 steps. Minimization converged after 137 steps. Minimization converged after 95 steps. Minimization converged after 23 steps. Minimization converged after 170 steps. Minimization converged after 32 steps. Minimization converged after 68 steps. Minimization converged after 58 steps. Minimization converged after 85 steps. Minimization converged after 91 steps. Minimization converged after 89 steps. Minimization converged after 62 steps. Minimization converged after 183 steps. Minimization converged after 66 steps. Minimization converged after 94 steps. Minimization converged after 23 steps. Minimization converged after 83 steps. Minimization converged after 73 steps. Minimization converged after 86 steps. Minimization converged after 87 steps. Minimization converged after 40 steps. Minimization converged after 72 steps. Minimization converged after 144 steps. Minimization converged after 57 steps. Minimization converged after 96 steps. Minimization converged after 31 steps. Minimization converged after 84 steps. Minimization converged after 135 steps. Minimization converged after 45 steps. Minimization converged after 101 steps. Minimization converged after 46 steps. Minimization converged after 50 steps. Minimization converged after 58 steps. Minimization converged after 66 steps. Minimization converged after 52 steps. Minimization converged after 31 steps. Minimization converged after 174 steps. Minimization converged after 105 steps. Minimization converged after 109 steps. Minimization converged after 44 steps. Minimization converged after 74 steps. Minimization converged after 114 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 71 steps. Minimization converged after 32 steps. Minimization converged after 100 steps. Minimization converged after 162 steps. Minimization converged after 23 steps. Minimization converged after 31 steps. Minimization converged after 73 steps. Minimization converged after 30 steps. Minimization converged after 60 steps. Minimization converged after 44 steps. Minimization converged after 31 steps. Minimization converged after 72 steps. Minimization converged after 74 steps. Minimization converged after 66 steps. Minimization converged after 31 steps. Minimization converged after 96 steps. Minimization converged after 68 steps. Minimization converged after 58 steps. Minimization converged after 91 steps. Minimization converged after 99 steps. Minimization converged after 45 steps. Minimization converged after 76 steps. Minimization converged after 71 steps. Minimization converged after 32 steps. Minimization converged after 58 steps. Minimization converged after 68 steps. Minimization converged after 79 steps. Minimization converged after 69 steps. Minimization converged after 96 steps. Minimization converged after 64 steps. Minimization converged after 72 steps. Minimization converged after 78 steps. Minimization converged after 32 steps. Minimization converged after 142 steps. Minimization converged after 93 steps. Minimization converged after 42 steps. Minimization converged after 86 steps. Minimization converged after 87 steps. Minimization converged after 155 steps. Minimization converged after 31 steps. Minimization converged after 103 steps. Minimization converged after 65 steps. Minimization converged after 96 steps. Minimization converged after 73 steps. Minimization converged after 71 steps. Minimization converged after 72 steps. Minimization converged after 83 steps. Minimization converged after 72 steps. Minimization converged after 61 steps. Minimization converged after 66 steps. Minimization converged after 54 steps. Minimization converged after 31 steps. Minimization converged after 60 steps. Minimization converged after 32 steps. Minimization converged after 89 steps. Minimization converged after 104 steps. Minimization converged after 63 steps. Minimization converged after 145 steps. Minimization converged after 69 steps. Minimization converged after 96 steps. Minimization converged after 174 steps. Minimization converged after 114 steps. Minimization converged after 31 steps. Minimization converged after 34 steps. Minimization converged after 92 steps. Minimization converged after 141 steps. Minimization converged after 31 steps. Minimization converged after 82 steps. Minimization converged after 31 steps. Minimization converged after 77 steps. Minimization converged after 75 steps. Minimization converged after 96 steps. Minimization converged after 63 steps. Minimization converged after 80 steps. Minimization converged after 44 steps. Minimization converged after 39 steps. Minimization converged after 66 steps. Minimization converged after 31 steps. Minimization converged after 72 steps. Minimization converged after 31 steps. Minimization converged after 86 steps. Minimization converged after 66 steps. Minimization converged after 41 steps. Minimization converged after 68 steps. Minimization converged after 76 steps. Minimization converged after 77 steps. Minimization converged after 77 steps. Minimization converged after 97 steps. Minimization converged after 45 steps. Minimization converged after 31 steps. Minimization converged after 70 steps. Minimization converged after 66 steps. Minimization converged after 85 steps. Minimization converged after 63 steps. Minimization converged after 72 steps. Minimization converged after 64 steps. Minimization converged after 30 steps. Minimization converged after 84 steps. Minimization converged after 82 steps. Minimization converged after 91 steps. Minimization converged after 181 steps. Minimization converged after 32 steps. Minimization converged after 56 steps. Minimization converged after 59 steps. Minimization converged after 74 steps. Minimization converged after 64 steps. Minimization converged after 35 steps. Minimization converged after 80 steps. Minimization converged after 128 steps. Minimization converged after 73 steps. Minimization converged after 51 steps. Minimization converged after 30 steps. Minimization converged after 74 steps. Minimization converged after 160 steps. Minimization converged after 127 steps. Minimization converged after 88 steps. Minimization converged after 113 steps. Minimization converged after 80 steps. Minimization converged after 65 steps. Minimization converged after 85 steps. Minimization converged after 55 steps. Minimization converged after 63 steps. Minimization converged after 95 steps. Minimization converged after 100 steps. Minimization converged after 37 steps. Minimization converged after 94 steps. Minimization converged after 73 steps. Minimization converged after 31 steps. Minimization converged after 83 steps. Minimization converged after 132 steps. Minimization converged after 82 steps. Minimization converged after 48 steps. Minimization converged after 149 steps. Minimization converged after 63 steps. Minimization converged after 71 steps. Minimization converged after 52 steps. Minimization converged after 78 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 62 steps. Minimization converged after 31 steps. Minimization converged after 65 steps. Minimization converged after 52 steps. Minimization converged after 69 steps. Minimization converged after 81 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 82 steps. Minimization converged after 87 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 90 steps. Minimization converged after 68 steps. Minimization converged after 126 steps. Minimization converged after 103 steps. Minimization converged after 98 steps. Minimization converged after 114 steps. Minimization converged after 96 steps. Minimization converged after 42 steps. Minimization converged after 81 steps. Minimization converged after 55 steps. Minimization converged after 183 steps. Minimization converged after 81 steps. Minimization converged after 75 steps. Minimization converged after 127 steps. Minimization converged after 30 steps. Minimization converged after 62 steps. Minimization converged after 105 steps. Minimization converged after 31 steps. Minimization converged after 96 steps. Minimization converged after 31 steps. Minimization converged after 94 steps. Minimization converged after 49 steps. Minimization converged after 69 steps. Minimization converged after 31 steps. Minimization converged after 66 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 75 steps. Minimization converged after 57 steps. Minimization converged after 94 steps. Minimization converged after 31 steps. Minimization converged after 62 steps. Minimization converged after 72 steps. Minimization converged after 75 steps. Minimization converged after 86 steps. Minimization converged after 151 steps. Minimization converged after 38 steps. Minimization converged after 66 steps. Minimization converged after 62 steps. Minimization converged after 174 steps. Minimization converged after 85 steps. Minimization converged after 93 steps. Minimization converged after 42 steps. Minimization converged after 81 steps. Minimization converged after 34 steps. Minimization converged after 31 steps. Minimization converged after 100 steps. Minimization converged after 52 steps. Minimization converged after 31 steps. Minimization converged after 81 steps. Minimization converged after 97 steps. Minimization converged after 67 steps. Minimization converged after 62 steps. Minimization converged after 31 steps. Minimization converged after 84 steps. Minimization converged after 82 steps. Minimization converged after 45 steps. Minimization converged after 31 steps. Minimization converged after 131 steps. Minimization converged after 72 steps. Minimization converged after 31 steps. Minimization converged after 41 steps. Minimization converged after 98 steps. Minimization converged after 48 steps. Minimization converged after 71 steps. Minimization converged after 31 steps. Minimization converged after 92 steps. Minimization converged after 52 steps. Minimization converged after 31 steps. Minimization converged after 59 steps. Minimization converged after 31 steps. Minimization converged after 69 steps. Minimization converged after 33 steps. Minimization converged after 103 steps. Minimization converged after 76 steps. Minimization converged after 85 steps. Minimization converged after 53 steps. Minimization converged after 130 steps. Minimization converged after 57 steps. Minimization converged after 31 steps. Minimization converged after 52 steps. Minimization converged after 45 steps. Minimization converged after 80 steps. Minimization converged after 100 steps. Minimization converged after 148 steps. Minimization converged after 77 steps. Minimization converged after 46 steps. Minimization converged after 140 steps. Minimization converged after 35 steps. Minimization converged after 48 steps. Minimization converged after 44 steps. Minimization converged after 109 steps. Minimization converged after 123 steps. Minimization converged after 81 steps. Minimization converged after 31 steps. Minimization converged after 93 steps. Minimization converged after 102 steps. Minimization converged after 70 steps. Minimization converged after 134 steps. Minimization converged after 78 steps. Minimization converged after 97 steps. Minimization converged after 62 steps. Minimization converged after 103 steps. Minimization converged after 71 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 30 steps. Minimization converged after 31 steps. Minimization converged after 31 steps. Minimization converged after 69 steps. Minimization converged after 101 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]: [[ 90.94379 50.77474 50.15096 3.3864 11.01614 3.12036] [ 50.77474 99.96953 46.21386 1.56499 -6.72164 5.98276] [ 50.15096 46.21386 109.41041 -0.43756 -1.13252 6.50232] [ 3.3864 1.56499 -0.43756 28.31102 6.75886 -3.92254] [ 11.01614 -6.72164 -1.13252 6.75886 30.51877 0.87747] [ 3.12036 5.98276 6.50232 -3.92254 0.87747 20.85735]] 95%% Error estimate [ASE units]: [[0.00188 0.05062 0.00667 0.01317 0.00135 0.00331] [0.05062 0.27016 0.02809 0.03606 0.00676 0.09217] [0.00667 0.02809 0.00155 0.01973 0.00098 0.00572] [0.01317 0.03606 0.01973 0.01228 0.00469 0.00165] [0.00135 0.00676 0.00098 0.00469 0.00117 0.00027] [0.00331 0.09217 0.00572 0.00165 0.00027 0.00155]] Maximum deviation from material symmetry [ASE units]: 0.000000 R E S U L T S Elastic constants [GPa]: [[14570.80089 8135.00985 8035.07025 542.56034 1764.97973 499.93706] [ 8135.00985 16016.88378 7404.27592 250.7395 -1076.92611 958.54391] [ 8035.07025 7404.27592 17529.47981 -70.10408 -181.45032 1041.78698] [ 542.56034 250.7395 -70.10408 4535.92472 1082.889 -628.46012] [ 1764.97973 -1076.92611 -181.45032 1082.889 4889.64654 140.58621] [ 499.93706 958.54391 1041.78698 -628.46012 140.58621 3341.7153 ]] 95 %% Error estimate [GPa]: [[ 0.30109 8.1096 1.06909 2.11058 0.21592 0.53068] [ 8.1096 43.28509 4.50118 5.7777 1.08279 14.76798] [ 1.06909 4.50118 0.24849 3.16034 0.1564 0.91582] [ 2.11058 5.7777 3.16034 1.96779 0.75066 0.26419] [ 0.21592 1.08279 0.1564 0.75066 0.1882 0.04273] [ 0.53068 14.76798 0.91582 0.26419 0.04273 0.24905]] Maximum deviation from material symmetry [GPa] = 0.00000 Bulk modulus [GPa] = 10311.79264 Unique elastic constants for space group 2 [GPa] ['c11', 'c12', 'c13', 'c14', 'c15', 'c16', 'c22', 'c23', 'c24', 'c25', 'c26', 'c33', 'c34', 'c35', 'c36', 'c44', 'c45', 'c46', 'c55', 'c56', 'c66'] [14570.800888939513, 8135.009852355246, 8035.070253759429, 542.5603442481761, 1764.9797347980605, 499.9370615119697, 16016.883776275417, 7404.2759213284, 250.739504020839, -1076.9261054710216, 958.5439061965914, 17529.47981199151, -70.10407909740319, -181.45031937284972, 1041.7869820021308, 4535.924719952335, 1082.8889967996813, -628.4601236950158, 4889.646541757788, 140.58620520590074, 3341.7153038079973] Nearest matrix of isotropic elastic constants: Distance to isotropic state [-] = 0.82064 Isotropic bulk modulus [GPa] = 10513.54246 Isotropic shear modulus [GPa] = 3930.41820