element(s): ['Si'] AFLOW prototype label: A_tP106_137_a5g4h Parameter names: ['a', 'c/a', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'x7', 'y7', 'z7', 'x8', 'y8', 'z8', 'x9', 'y9', 'z9', 'x10', 'y10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1614', '2.3850257', '0.93992864', '0.19609985', '0.87847441', '0.10226691', '0.13030281', '0.77487209', '0.98453855', '0.85341975', '0.13332475', '0.92680675', '0.43292986', '0.065760748', '0.72131569', '0.45643579', '0.87171028', '0.86152967', '0.57092716', '0.9958931', '0.93303081', '0.43052092', '0.13256247', '0.98508065'] model name: MFF_MistriotisFlytzanisFarantos_1989_Si__MO_080526771943_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0. 0.18992864 0.94609985] [0. 0.12847441 0.85226691] [0. 0.38030281 0.52487209] [0. 0.23453855 0.60341975] [0. 0.38332475 0.67680675] [0.18292986 0.31576075 0.47131569] [0.20643579 0.12171028 0.61152967] [0.32092716 0.2458931 0.68303081] [0.18052092 0.38256247 0.73508065]] spacegroup = 137 cell = [[10.1614, 0, 0], [0, 10.1614, 0], [0, 0, 24.2352]] ========================================= Step Time Energy fmax BFGS: 0 17:35:48 -447.158889 1.567448 BFGS: 1 17:35:48 -448.091212 1.215329 BFGS: 2 17:35:48 -449.536645 0.685644 BFGS: 3 17:35:48 -450.393478 0.738225 BFGS: 4 17:35:48 -450.914356 0.761776 BFGS: 5 17:35:49 -451.352899 0.825482 BFGS: 6 17:35:49 -451.699135 0.878028 BFGS: 7 17:35:50 -451.933963 0.898094 BFGS: 8 17:35:50 -452.090013 0.882687 BFGS: 9 17:35:51 -452.223018 0.850018 BFGS: 10 17:35:51 -452.322631 0.816354 BFGS: 11 17:35:52 -452.398378 0.786451 BFGS: 12 17:35:53 -452.460006 0.760384 BFGS: 13 17:35:54 -452.514323 0.736935 BFGS: 14 17:35:54 -452.564327 0.715095 BFGS: 15 17:35:55 -452.610916 0.694263 BFGS: 16 17:35:55 -452.654258 0.674117 BFGS: 17 17:35:55 -452.694447 0.654492 BFGS: 18 17:35:56 -452.731708 0.635305 BFGS: 19 17:35:56 -452.766397 0.616517 BFGS: 20 17:35:57 -452.798932 0.598115 BFGS: 21 17:35:58 -452.829722 0.580095 BFGS: 22 17:35:59 -452.859117 0.562454 BFGS: 23 17:36:00 -452.887399 0.545192 BFGS: 24 17:36:00 -452.914774 0.528307 BFGS: 25 17:36:00 -452.941382 0.511795 BFGS: 26 17:36:01 -452.967313 0.495653 BFGS: 27 17:36:01 -452.992613 0.479876 BFGS: 28 17:36:01 -453.017298 0.464461 BFGS: 29 17:36:01 -453.041363 0.449402 BFGS: 30 17:36:02 -453.064785 0.434697 BFGS: 31 17:36:02 -453.087530 0.420342 BFGS: 32 17:36:02 -453.109559 0.406335 BFGS: 33 17:36:02 -453.130830 0.392672 BFGS: 34 17:36:02 -453.151303 0.379352 BFGS: 35 17:36:03 -453.170937 0.366372 BFGS: 36 17:36:03 -453.189702 0.353731 BFGS: 37 17:36:03 -453.207571 0.341425 BFGS: 38 17:36:03 -453.224530 0.329454 BFGS: 39 17:36:03 -453.240575 0.317814 BFGS: 40 17:36:04 -453.255716 0.306503 BFGS: 41 17:36:04 -453.269978 0.295517 BFGS: 42 17:36:04 -453.283404 0.284851 BFGS: 43 17:36:04 -453.296054 0.274501 BFGS: 44 17:36:05 -453.308005 0.264459 BFGS: 45 17:36:05 -453.319357 0.254716 BFGS: 46 17:36:05 -453.330222 0.245262 BFGS: 47 17:36:06 -453.340728 0.236192 BFGS: 48 17:36:06 -453.351011 0.241280 BFGS: 49 17:36:07 -453.361208 0.245612 BFGS: 50 17:36:07 -453.371449 0.249175 BFGS: 51 17:36:08 -453.381852 0.251966 BFGS: 52 17:36:08 -453.392516 0.253989 BFGS: 53 17:36:08 -453.403518 0.255254 BFGS: 54 17:36:08 -453.414914 0.255776 BFGS: 55 17:36:09 -453.426739 0.255572 BFGS: 56 17:36:09 -453.439008 0.254660 BFGS: 57 17:36:09 -453.451723 0.253055 BFGS: 58 17:36:09 -453.464872 0.250768 BFGS: 59 17:36:10 -453.478434 0.247808 BFGS: 60 17:36:11 -453.492379 0.244176 BFGS: 61 17:36:11 -453.506671 0.239869 BFGS: 62 17:36:11 -453.521268 0.234877 BFGS: 63 17:36:12 -453.536122 0.229184 BFGS: 64 17:36:12 -453.551181 0.222767 BFGS: 65 17:36:13 -453.566385 0.215597 BFGS: 66 17:36:13 -453.581668 0.207640 BFGS: 67 17:36:13 -453.596956 0.198855 BFGS: 68 17:36:13 -453.612163 0.189202 BFGS: 69 17:36:14 -453.627191 0.178637 BFGS: 70 17:36:14 -453.641925 0.167123 BFGS: 71 17:36:14 -453.656229 0.154633 BFGS: 72 17:36:15 -453.669942 0.141165 BFGS: 73 17:36:15 -453.682872 0.126753 BFGS: 74 17:36:15 -453.694795 0.111486 BFGS: 75 17:36:16 -453.705465 0.095535 BFGS: 76 17:36:16 -453.714636 0.079182 BFGS: 77 17:36:16 -453.722157 0.062880 BFGS: 78 17:36:17 -453.728258 0.072547 BFGS: 79 17:36:17 -453.732973 0.074073 BFGS: 80 17:36:17 -453.739646 0.062223 BFGS: 81 17:36:18 -453.744273 0.054755 BFGS: 82 17:36:18 -453.746503 0.063879 BFGS: 83 17:36:19 -453.748160 0.068850 BFGS: 84 17:36:19 -453.750025 0.069230 BFGS: 85 17:36:19 -453.751913 0.063277 BFGS: 86 17:36:19 -453.753180 0.054392 BFGS: 87 17:36:19 -453.753982 0.048168 BFGS: 88 17:36:20 -453.755064 0.043010 BFGS: 89 17:36:20 -453.757209 0.037934 BFGS: 90 17:36:20 -453.761063 0.040456 BFGS: 91 17:36:21 -453.767094 0.062947 BFGS: 92 17:36:22 -453.774982 0.084760 BFGS: 93 17:36:22 -453.781622 0.107560 BFGS: 94 17:36:23 -453.788393 0.130135 BFGS: 95 17:36:24 -453.794899 0.152413 BFGS: 96 17:36:24 -453.800549 0.173492 BFGS: 97 17:36:24 -453.805007 0.192041 BFGS: 98 17:36:25 -453.808824 0.206193 BFGS: 99 17:36:25 -453.813550 0.214156 BFGS: 100 17:36:26 -453.820280 0.216095 BFGS: 101 17:36:26 -453.829295 0.213031 BFGS: 102 17:36:26 -453.840524 0.205787 BFGS: 103 17:36:27 -453.853826 0.194743 BFGS: 104 17:36:27 -453.869062 0.179888 BFGS: 105 17:36:27 -453.886079 0.161278 BFGS: 106 17:36:27 -453.904675 0.138036 BFGS: 107 17:36:28 -453.921798 0.112402 BFGS: 108 17:36:28 -453.934862 0.096913 BFGS: 109 17:36:28 -453.945247 0.083352 BFGS: 110 17:36:29 -453.953721 0.071034 BFGS: 111 17:36:29 -453.960715 0.062741 BFGS: 112 17:36:29 -453.966474 0.053661 BFGS: 113 17:36:30 -453.971140 0.043949 BFGS: 114 17:36:30 -453.974789 0.036023 BFGS: 115 17:36:31 -453.977459 0.030823 BFGS: 116 17:36:31 -453.979158 0.022700 BFGS: 117 17:36:31 -453.979830 0.012871 BFGS: 118 17:36:32 -453.980036 0.010307 BFGS: 119 17:36:32 -453.980232 0.006689 BFGS: 120 17:36:33 -453.980274 0.006283 BFGS: 121 17:36:34 -453.980309 0.005322 BFGS: 122 17:36:34 -453.980333 0.003357 BFGS: 123 17:36:34 -453.980346 0.002151 BFGS: 124 17:36:35 -453.980351 0.001592 BFGS: 125 17:36:35 -453.980354 0.000956 BFGS: 126 17:36:36 -453.980356 0.000873 BFGS: 127 17:36:36 -453.980357 0.000531 BFGS: 128 17:36:37 -453.980357 0.000294 BFGS: 129 17:36:37 -453.980357 0.000133 BFGS: 130 17:36:37 -453.980357 0.000091 BFGS: 131 17:36:38 -453.980357 0.000075 BFGS: 132 17:36:38 -453.980357 0.000054 BFGS: 133 17:36:39 -453.980357 0.000031 BFGS: 134 17:36:39 -453.980357 0.000014 BFGS: 135 17:36:40 -453.980357 0.000007 BFGS: 136 17:36:40 -453.980357 0.000003 BFGS: 137 17:36:40 -453.980357 0.000001 BFGS: 138 17:36:41 -453.980357 0.000000 BFGS: 139 17:36:41 -453.980357 0.000000 BFGS: 140 17:36:41 -453.980357 0.000000 BFGS: 141 17:36:42 -453.980357 0.000000 BFGS: 142 17:36:42 -453.980357 0.000000 BFGS: 143 17:36:43 -453.980357 0.000000 BFGS: 144 17:36:43 -453.980357 0.000000 BFGS: 145 17:36:43 -453.980357 0.000000 Minimization converged after 145 steps. Maximum force component: 7.974169689145554e-09 eV/Angstrom Maximum stress component: 3.1151894371034176e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si'] basis = [[1.40617304e-33 0.00000000e+00 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 1.91412098e-01 9.50403249e-01] [7.43361893e-33 8.08587902e-01 9.50403249e-01] [3.08587902e-01 5.00000000e-01 4.50403249e-01] [6.91412098e-01 5.00000000e-01 4.50403249e-01] [5.00000000e-01 6.91412098e-01 5.49596751e-01] [5.00000000e-01 3.08587902e-01 5.49596751e-01] [1.91412098e-01 0.00000000e+00 4.95967512e-02] [8.08587902e-01 5.36634803e-33 4.95967512e-02] [0.00000000e+00 1.27525702e-01 8.60545667e-01] [0.00000000e+00 8.72474298e-01 8.60545667e-01] [3.72474298e-01 5.00000000e-01 3.60545667e-01] [6.27525702e-01 5.00000000e-01 3.60545667e-01] [5.00000000e-01 6.27525702e-01 6.39454333e-01] [5.00000000e-01 3.72474298e-01 6.39454333e-01] [1.27525702e-01 5.01171462e-33 1.39454333e-01] [8.72474298e-01 4.64290780e-33 1.39454333e-01] [1.54056717e-32 3.79175119e-01 5.23016769e-01] [7.43656716e-33 6.20824881e-01 5.23016769e-01] [1.20824881e-01 5.00000000e-01 2.30167688e-02] [8.79175119e-01 5.00000000e-01 2.30167688e-02] [5.00000000e-01 8.79175119e-01 9.76983231e-01] [5.00000000e-01 1.20824881e-01 9.76983231e-01] [3.79175119e-01 0.00000000e+00 4.76983231e-01] [6.20824881e-01 0.00000000e+00 4.76983231e-01] [2.84995028e-32 2.44188912e-01 6.02725052e-01] [0.00000000e+00 7.55811088e-01 6.02725052e-01] [2.55811088e-01 5.00000000e-01 1.02725052e-01] [7.44188912e-01 5.00000000e-01 1.02725052e-01] [5.00000000e-01 7.44188912e-01 8.97274948e-01] [5.00000000e-01 2.55811088e-01 8.97274948e-01] [2.44188912e-01 1.35169488e-32 3.97274948e-01] [7.55811088e-01 0.00000000e+00 3.97274948e-01] [0.00000000e+00 3.81009171e-01 6.78992593e-01] [0.00000000e+00 6.18990829e-01 6.78992593e-01] [1.18990829e-01 5.00000000e-01 1.78992593e-01] [8.81009171e-01 5.00000000e-01 1.78992593e-01] [5.00000000e-01 8.81009171e-01 8.21007407e-01] [5.00000000e-01 1.18990829e-01 8.21007407e-01] [3.81009171e-01 4.69900463e-33 3.21007407e-01] [6.18990829e-01 8.90387975e-34 3.21007407e-01] [1.83540464e-01 3.14769950e-01 4.72931598e-01] [8.16459536e-01 6.85230050e-01 4.72931598e-01] [1.85230050e-01 6.83540464e-01 9.72931598e-01] [8.14769950e-01 3.16459536e-01 9.72931598e-01] [3.16459536e-01 8.14769950e-01 2.70684018e-02] [6.83540464e-01 1.85230050e-01 2.70684018e-02] [3.14769950e-01 1.83540464e-01 5.27068402e-01] [6.85230050e-01 8.16459536e-01 5.27068402e-01] [3.16459536e-01 1.85230050e-01 2.70684018e-02] [6.83540464e-01 8.14769950e-01 2.70684018e-02] [3.14769950e-01 8.16459536e-01 5.27068402e-01] [6.85230050e-01 1.83540464e-01 5.27068402e-01] [1.83540464e-01 6.85230050e-01 4.72931598e-01] [8.16459536e-01 3.14769950e-01 4.72931598e-01] [1.85230050e-01 3.16459536e-01 9.72931598e-01] [8.14769950e-01 6.83540464e-01 9.72931598e-01] [2.04856858e-01 1.21168930e-01 6.05984331e-01] [7.95143142e-01 8.78831070e-01 6.05984331e-01] [3.78831070e-01 7.04856858e-01 1.05984331e-01] [6.21168930e-01 2.95143142e-01 1.05984331e-01] [2.95143142e-01 6.21168930e-01 8.94015669e-01] [7.04856858e-01 3.78831070e-01 8.94015669e-01] [1.21168930e-01 2.04856858e-01 3.94015669e-01] [8.78831070e-01 7.95143142e-01 3.94015669e-01] [2.95143142e-01 3.78831070e-01 8.94015669e-01] [7.04856858e-01 6.21168930e-01 8.94015669e-01] [1.21168930e-01 7.95143142e-01 3.94015669e-01] [8.78831070e-01 2.04856858e-01 3.94015669e-01] [2.04856858e-01 8.78831070e-01 6.05984331e-01] [7.95143142e-01 1.21168930e-01 6.05984331e-01] [3.78831070e-01 2.95143142e-01 1.05984331e-01] [6.21168930e-01 7.04856858e-01 1.05984331e-01] [3.43422722e-01 2.15305941e-01 6.77411432e-01] [6.56577278e-01 7.84694059e-01 6.77411432e-01] [2.84694059e-01 8.43422722e-01 1.77411432e-01] [7.15305941e-01 1.56577278e-01 1.77411432e-01] [1.56577278e-01 7.15305941e-01 8.22588568e-01] [8.43422722e-01 2.84694059e-01 8.22588568e-01] [2.15305941e-01 3.43422722e-01 3.22588568e-01] [7.84694059e-01 6.56577278e-01 3.22588568e-01] [1.56577278e-01 2.84694059e-01 8.22588568e-01] [8.43422722e-01 7.15305941e-01 8.22588568e-01] [2.15305941e-01 6.56577278e-01 3.22588568e-01] [7.84694059e-01 3.43422722e-01 3.22588568e-01] [3.43422722e-01 7.84694059e-01 6.77411432e-01] [6.56577278e-01 2.15305941e-01 6.77411432e-01] [2.84694059e-01 1.56577278e-01 1.77411432e-01] [7.15305941e-01 8.43422722e-01 1.77411432e-01] [2.01572614e-01 3.72165764e-01 7.30376333e-01] [7.98427386e-01 6.27834236e-01 7.30376333e-01] [1.27834236e-01 7.01572614e-01 2.30376333e-01] [8.72165764e-01 2.98427386e-01 2.30376333e-01] [2.98427386e-01 8.72165764e-01 7.69623667e-01] [7.01572614e-01 1.27834236e-01 7.69623667e-01] [3.72165764e-01 2.01572614e-01 2.69623667e-01] [6.27834236e-01 7.98427386e-01 2.69623667e-01] [2.98427386e-01 1.27834236e-01 7.69623667e-01] [7.01572614e-01 8.72165764e-01 7.69623667e-01] [3.72165764e-01 7.98427386e-01 2.69623667e-01] [6.27834236e-01 2.01572614e-01 2.69623667e-01] [2.01572614e-01 6.27834236e-01 7.30376333e-01] [7.98427386e-01 3.72165764e-01 7.30376333e-01] [1.27834236e-01 2.98427386e-01 2.30376333e-01] [8.72165764e-01 7.01572614e-01 2.30376333e-01]] cellpar = Cell([[10.085096183317708, -9.93789940435775e-37, -2.7944532435638803e-40], [-7.270786240833746e-37, 10.085096183317717, 1.1537598567522314e-19], [-2.955330023841692e-39, 2.646083613186668e-19, 25.281484031843135]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 8.96193596e-69 -1.24308408e-31 -1.42211882e-51] [-2.48705587e-46 3.45332424e-09 -2.22108070e-09] [ 4.97233632e-31 -3.45332424e-09 -2.22108070e-09] [-3.45332424e-09 -2.32469156e-29 -2.22108070e-09] [ 3.45332424e-09 -2.37441492e-29 -2.22108070e-09] [ 4.97233632e-31 3.45332424e-09 2.22108070e-09] [-4.97233632e-31 -3.45332424e-09 2.22108070e-09] [ 3.45332424e-09 2.27496820e-29 2.22108070e-09] [-3.45332424e-09 2.22524483e-29 2.22108070e-09] [ 2.48616816e-31 2.12661809e-09 -1.81859112e-09] [ 2.48616816e-31 -2.12661809e-09 -1.81859112e-09] [-2.12661809e-09 -1.87856462e-29 -1.81859112e-09] [ 2.12661809e-09 -1.92828799e-29 -1.81859112e-09] [-1.53529773e-46 2.12661809e-09 1.81859112e-09] [ 1.53104597e-46 -2.12661809e-09 1.81859112e-09] [ 2.12661809e-09 1.90342630e-29 1.81859112e-09] [-2.12661809e-09 1.90342630e-29 1.81859112e-09] [ 1.36739249e-30 -5.91213006e-09 -3.24539574e-09] [ 4.97233632e-31 5.91213006e-09 -3.24539574e-09] [ 5.91213006e-09 -3.39678971e-29 -3.24539574e-09] [-5.91213006e-09 -3.29734298e-29 -3.24539574e-09] [ 9.94467263e-31 -5.91213006e-09 3.24539574e-09] [-4.26610650e-46 5.91213006e-09 3.24539574e-09] [-5.91213006e-09 3.39678971e-29 3.24539574e-09] [ 5.91213006e-09 3.49623643e-29 3.24539574e-09] [-1.24308408e-31 -3.28139428e-09 -5.28206257e-10] [-2.36508297e-46 3.28139428e-09 -5.28206257e-10] [ 3.28139428e-09 -5.27984789e-30 -5.28206257e-10] [-3.28139428e-09 -6.02569834e-30 -5.28206257e-10] [ 2.48616816e-31 -3.28139428e-09 5.28206257e-10] [ 3.72925224e-31 3.28139428e-09 5.28206257e-10] [-3.28139428e-09 5.52846471e-30 5.28206257e-10] [ 3.28139428e-09 6.02569834e-30 5.28206257e-10] [-5.75373995e-46 7.97416969e-09 4.11712985e-09] [ 5.74411435e-46 -7.97416969e-09 4.11712985e-09] [-7.97416969e-09 4.30918922e-29 4.11712985e-09] [ 7.97416969e-09 4.30918922e-29 4.11712985e-09] [-5.74411435e-46 7.97416969e-09 -4.11712985e-09] [ 5.75373995e-46 -7.97416969e-09 -4.11712985e-09] [ 7.97416969e-09 -4.33405090e-29 -4.11712985e-09] [-7.97416969e-09 -4.28432754e-29 -4.11712985e-09] [-6.45669934e-10 -4.21421270e-09 2.92123014e-11] [ 6.45669934e-10 4.21421270e-09 2.92123014e-11] [ 4.21421270e-09 -6.45669934e-10 2.92123014e-11] [-4.21421270e-09 6.45669934e-10 2.92123014e-11] [ 6.45669934e-10 -4.21421270e-09 -2.92123014e-11] [-6.45669934e-10 4.21421270e-09 -2.92123014e-11] [-4.21421270e-09 -6.45669934e-10 -2.92123014e-11] [ 4.21421270e-09 6.45669934e-10 -2.92123014e-11] [ 6.45669934e-10 4.21421270e-09 -2.92123014e-11] [-6.45669934e-10 -4.21421270e-09 -2.92123014e-11] [-4.21421270e-09 6.45669934e-10 -2.92123014e-11] [ 4.21421270e-09 -6.45669934e-10 -2.92123014e-11] [-6.45669934e-10 4.21421270e-09 2.92123014e-11] [ 6.45669934e-10 -4.21421270e-09 2.92123014e-11] [ 4.21421270e-09 6.45669934e-10 2.92123014e-11] [-4.21421270e-09 -6.45669934e-10 2.92123014e-11] [ 2.50137238e-09 2.33751379e-09 -4.01636908e-09] [-2.50137238e-09 -2.33751379e-09 -4.01636908e-09] [-2.33751379e-09 2.50137238e-09 -4.01636908e-09] [ 2.33751379e-09 -2.50137238e-09 -4.01636908e-09] [-2.50137238e-09 2.33751379e-09 4.01636908e-09] [ 2.50137238e-09 -2.33751379e-09 4.01636908e-09] [ 2.33751379e-09 2.50137238e-09 4.01636908e-09] [-2.33751379e-09 -2.50137238e-09 4.01636908e-09] [-2.50137238e-09 -2.33751379e-09 4.01636908e-09] [ 2.50137238e-09 2.33751379e-09 4.01636908e-09] [ 2.33751379e-09 -2.50137238e-09 4.01636908e-09] [-2.33751379e-09 2.50137238e-09 4.01636908e-09] [ 2.50137238e-09 -2.33751379e-09 -4.01636908e-09] [-2.50137238e-09 2.33751379e-09 -4.01636908e-09] [-2.33751379e-09 -2.50137238e-09 -4.01636908e-09] [ 2.33751379e-09 2.50137238e-09 -4.01636908e-09] [ 8.42078507e-10 1.33670307e-09 2.46231475e-09] [-8.42078507e-10 -1.33670307e-09 2.46231475e-09] [-1.33670307e-09 8.42078507e-10 2.46231475e-09] [ 1.33670307e-09 -8.42078507e-10 2.46231475e-09] [-8.42078507e-10 1.33670307e-09 -2.46231475e-09] [ 8.42078507e-10 -1.33670307e-09 -2.46231475e-09] [ 1.33670307e-09 8.42078507e-10 -2.46231475e-09] [-1.33670307e-09 -8.42078507e-10 -2.46231475e-09] [-8.42078507e-10 -1.33670307e-09 -2.46231475e-09] [ 8.42078507e-10 1.33670307e-09 -2.46231475e-09] [ 1.33670307e-09 -8.42078507e-10 -2.46231475e-09] [-1.33670307e-09 8.42078507e-10 -2.46231475e-09] [ 8.42078507e-10 -1.33670307e-09 2.46231475e-09] [-8.42078507e-10 1.33670307e-09 2.46231475e-09] [-1.33670307e-09 -8.42078507e-10 2.46231475e-09] [ 1.33670307e-09 8.42078507e-10 2.46231475e-09] [ 4.76130344e-10 -1.41658573e-09 3.34411671e-10] [-4.76130344e-10 1.41658573e-09 3.34411671e-10] [ 1.41658573e-09 4.76130344e-10 3.34411671e-10] [-1.41658573e-09 -4.76130344e-10 3.34411671e-10] [-4.76130344e-10 -1.41658573e-09 -3.34411671e-10] [ 4.76130344e-10 1.41658573e-09 -3.34411671e-10] [-1.41658573e-09 4.76130344e-10 -3.34411671e-10] [ 1.41658573e-09 -4.76130344e-10 -3.34411671e-10] [-4.76130344e-10 1.41658573e-09 -3.34411671e-10] [ 4.76130344e-10 -1.41658573e-09 -3.34411671e-10] [-1.41658573e-09 -4.76130344e-10 -3.34411671e-10] [ 1.41658573e-09 4.76130344e-10 -3.34411671e-10] [ 4.76130344e-10 1.41658573e-09 3.34411671e-10] [-4.76130344e-10 -1.41658573e-09 3.34411671e-10] [ 1.41658573e-09 -4.76130344e-10 3.34411671e-10] [-1.41658573e-09 4.76130344e-10 3.34411671e-10]] stress = [ 3.11518944e-11 3.11518944e-11 -6.42118563e-12 -3.37818559e-29 3.86747788e-34 2.69274806e-51] energy per atom = -4.282833558825479 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0