element(s): ['Si'] AFLOW prototype label: A_cF136_227_aeg Parameter names: ['a', 'x2', 'x3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['14.7362', '0.76473335', '0.31636148', '0.12789779'] model name: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Si', 'Si', 'Si'] representative atom coordinates = [[0. 0. 0. ] [0.88973335 0.88973335 0.88973335] [0.44136148 0.44136148 0.25289779]] spacegroup = 227 cell = [[14.7362, 0, 0], [0, 14.7362, 0], [0, 0, 14.7362]] ========================================= Step Time Energy fmax BFGS: 0 16:40:25 -533.024411 1.9781 BFGS: 1 16:40:25 -536.855719 1.8405 BFGS: 2 16:40:26 -538.873178 1.7652 BFGS: 3 16:40:27 -540.538041 1.7124 BFGS: 4 16:40:28 -542.162851 1.6645 BFGS: 5 16:40:29 -543.754205 1.6192 BFGS: 6 16:40:30 -545.291993 1.5764 BFGS: 7 16:40:30 -546.751950 1.5365 BFGS: 8 16:40:31 -548.115930 1.4997 BFGS: 9 16:40:32 -549.379009 1.4654 BFGS: 10 16:40:32 -550.550925 1.4329 BFGS: 11 16:40:33 -551.649302 1.4009 BFGS: 12 16:40:34 -552.686094 1.3687 BFGS: 13 16:40:34 -553.654500 1.3361 BFGS: 14 16:40:35 -554.525192 1.3039 BFGS: 15 16:40:36 -555.257919 1.2735 BFGS: 16 16:40:36 -555.825327 1.2458 BFGS: 17 16:40:37 -556.230422 1.2211 BFGS: 18 16:40:37 -556.503854 1.1992 BFGS: 19 16:40:38 -556.688796 1.1792 BFGS: 20 16:40:38 -556.825831 1.1604 BFGS: 21 16:40:39 -556.943359 1.1422 BFGS: 22 16:40:40 -557.056236 1.1244 BFGS: 23 16:40:41 -557.170483 1.1068 BFGS: 24 16:40:42 -557.287998 1.0892 BFGS: 25 16:40:42 -557.409071 1.0718 BFGS: 26 16:40:43 -557.533421 1.0543 BFGS: 27 16:40:43 -557.660604 1.0370 BFGS: 28 16:40:44 -557.790146 1.0197 BFGS: 29 16:40:44 -557.921596 1.0024 BFGS: 30 16:40:45 -558.054536 0.9852 BFGS: 31 16:40:46 -558.188585 0.9681 BFGS: 32 16:40:46 -558.323389 0.9510 BFGS: 33 16:40:47 -558.458625 0.9339 BFGS: 34 16:40:48 -558.593994 0.9169 BFGS: 35 16:40:49 -558.729219 0.8999 BFGS: 36 16:40:49 -558.864047 0.8830 BFGS: 37 16:40:50 -558.998243 0.8662 BFGS: 38 16:40:51 -559.131591 0.8494 BFGS: 39 16:40:51 -559.263895 0.8327 BFGS: 40 16:40:52 -559.394975 0.8160 BFGS: 41 16:40:52 -559.524669 0.7994 BFGS: 42 16:40:53 -559.652830 0.7829 BFGS: 43 16:40:54 -559.779326 0.7664 BFGS: 44 16:40:54 -559.904039 0.7500 BFGS: 45 16:40:55 -560.026863 0.7336 BFGS: 46 16:40:55 -560.147706 0.7174 BFGS: 47 16:40:56 -560.266483 0.7011 BFGS: 48 16:40:56 -560.383123 0.6850 BFGS: 49 16:40:57 -560.497561 0.6689 BFGS: 50 16:40:57 -560.609743 0.6529 BFGS: 51 16:40:58 -560.719619 0.6369 BFGS: 52 16:40:58 -560.827148 0.6211 BFGS: 53 16:40:59 -560.932293 0.6053 BFGS: 54 16:41:00 -561.035025 0.5895 BFGS: 55 16:41:01 -561.135318 0.5739 BFGS: 56 16:41:02 -561.233148 0.5582 BFGS: 57 16:41:02 -561.328500 0.5427 BFGS: 58 16:41:03 -561.421357 0.5273 BFGS: 59 16:41:03 -561.511707 0.5119 BFGS: 60 16:41:04 -561.599542 0.4965 BFGS: 61 16:41:04 -561.684853 0.4813 BFGS: 62 16:41:05 -561.767637 0.4661 BFGS: 63 16:41:06 -561.847889 0.4510 BFGS: 64 16:41:06 -561.925608 0.4359 BFGS: 65 16:41:07 -562.000793 0.4209 BFGS: 66 16:41:07 -562.073445 0.4060 BFGS: 67 16:41:08 -562.143566 0.3912 BFGS: 68 16:41:09 -562.211158 0.3764 BFGS: 69 16:41:10 -562.276225 0.3617 BFGS: 70 16:41:10 -562.338770 0.3470 BFGS: 71 16:41:11 -562.398800 0.3324 BFGS: 72 16:41:11 -562.456319 0.3179 BFGS: 73 16:41:12 -562.511333 0.3035 BFGS: 74 16:41:13 -562.563849 0.2891 BFGS: 75 16:41:13 -562.613872 0.2748 BFGS: 76 16:41:14 -562.661409 0.2605 BFGS: 77 16:41:14 -562.706469 0.2464 BFGS: 78 16:41:15 -562.749058 0.2323 BFGS: 79 16:41:16 -562.789183 0.2182 BFGS: 80 16:41:16 -562.826852 0.2042 BFGS: 81 16:41:17 -562.862074 0.1903 BFGS: 82 16:41:17 -562.894856 0.1765 BFGS: 83 16:41:18 -562.925205 0.1627 BFGS: 84 16:41:18 -562.953131 0.1490 BFGS: 85 16:41:19 -562.978640 0.1353 BFGS: 86 16:41:19 -563.001741 0.1218 BFGS: 87 16:41:20 -563.022441 0.1083 BFGS: 88 16:41:21 -563.040749 0.0948 BFGS: 89 16:41:21 -563.056672 0.0814 BFGS: 90 16:41:22 -563.070217 0.0681 BFGS: 91 16:41:23 -563.081392 0.0549 BFGS: 92 16:41:23 -563.090202 0.0417 BFGS: 93 16:41:24 -563.096653 0.0286 BFGS: 94 16:41:24 -563.100750 0.0155 BFGS: 95 16:41:24 -563.102492 0.0034 BFGS: 96 16:41:25 -563.102560 0.0014 BFGS: 97 16:41:26 -563.102562 0.0012 BFGS: 98 16:41:26 -563.102567 0.0001 BFGS: 99 16:41:26 -563.102567 0.0001 BFGS: 100 16:41:27 -563.102567 0.0001 BFGS: 101 16:41:27 -563.102567 0.0000 BFGS: 102 16:41:28 -563.102567 0.0000 BFGS: 103 16:41:28 -563.102567 0.0000 BFGS: 104 16:41:29 -563.102567 0.0000 BFGS: 105 16:41:29 -563.102567 0.0000 BFGS: 106 16:41:30 -563.102567 0.0000 BFGS: 107 16:41:30 -563.102567 0.0000 Minimization converged after 107 steps. Maximum force component: 1.3159431732958281e-09 eV/Angstrom Maximum stress component: 2.642663580818768e-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', '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 = [[0.00000000e+00 1.47107739e-33 2.95820230e-34] [4.17246422e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [7.50000000e-01 2.50000000e-01 7.50000000e-01] [2.50000000e-01 2.50000000e-01 2.50000000e-01] [2.50000000e-01 7.50000000e-01 7.50000000e-01] [7.50000000e-01 7.50000000e-01 2.50000000e-01] [9.06275395e-01 9.06275395e-01 9.06275395e-01] [9.37246053e-02 5.93724605e-01 4.06275395e-01] [5.93724605e-01 4.06275395e-01 9.37246053e-02] [4.06275395e-01 9.37246053e-02 5.93724605e-01] [6.56275395e-01 1.56275395e-01 8.43724605e-01] [3.43724605e-01 3.43724605e-01 3.43724605e-01] [1.56275395e-01 8.43724605e-01 6.56275395e-01] [8.43724605e-01 6.56275395e-01 1.56275395e-01] [1.56275395e-01 6.56275395e-01 8.43724605e-01] [6.56275395e-01 8.43724605e-01 1.56275395e-01] [8.43724605e-01 1.56275395e-01 6.56275395e-01] [5.93724605e-01 9.37246053e-02 4.06275395e-01] [9.37246053e-02 4.06275395e-01 5.93724605e-01] [4.06275395e-01 5.93724605e-01 9.37246053e-02] [9.06275395e-01 4.06275395e-01 4.06275395e-01] [9.37246053e-02 9.37246053e-02 9.06275395e-01] [5.93724605e-01 9.06275395e-01 5.93724605e-01] [6.56275395e-01 6.56275395e-01 3.43724605e-01] [3.43724605e-01 8.43724605e-01 8.43724605e-01] [1.56275395e-01 3.43724605e-01 1.56275395e-01] [1.56275395e-01 1.56275395e-01 3.43724605e-01] [6.56275395e-01 3.43724605e-01 6.56275395e-01] [5.93724605e-01 5.93724605e-01 9.06275395e-01] [9.37246053e-02 9.06275395e-01 9.37246053e-02] [4.06275395e-01 9.06275395e-01 4.06275395e-01] [9.06275395e-01 9.37246053e-02 9.37246053e-02] [8.43724605e-01 3.43724605e-01 8.43724605e-01] [3.43724605e-01 6.56275395e-01 6.56275395e-01] [3.43724605e-01 1.56275395e-01 1.56275395e-01] [9.06275395e-01 5.93724605e-01 5.93724605e-01] [4.06275395e-01 4.06275395e-01 9.06275395e-01] [8.43724605e-01 8.43724605e-01 3.43724605e-01] [4.39785905e-01 4.39785905e-01 2.57318744e-01] [5.60214095e-01 6.02140954e-02 7.57318744e-01] [6.02140954e-02 9.39785905e-01 7.42681256e-01] [9.39785905e-01 5.60214095e-01 2.42681256e-01] [2.57318744e-01 4.39785905e-01 4.39785905e-01] [7.57318744e-01 5.60214095e-01 6.02140954e-02] [7.42681256e-01 6.02140954e-02 9.39785905e-01] [2.42681256e-01 9.39785905e-01 5.60214095e-01] [4.39785905e-01 2.57318744e-01 4.39785905e-01] [6.02140954e-02 7.57318744e-01 5.60214095e-01] [9.39785905e-01 7.42681256e-01 6.02140954e-02] [5.60214095e-01 2.42681256e-01 9.39785905e-01] [1.89785905e-01 6.89785905e-01 4.92681256e-01] [8.10214095e-01 8.10214095e-01 9.92681256e-01] [6.89785905e-01 3.10214095e-01 7.31874408e-03] [3.10214095e-01 1.89785905e-01 5.07318744e-01] [1.89785905e-01 5.07318744e-01 3.10214095e-01] [3.10214095e-01 7.31874408e-03 6.89785905e-01] [8.10214095e-01 9.92681256e-01 8.10214095e-01] [6.89785905e-01 4.92681256e-01 1.89785905e-01] [7.31874408e-03 6.89785905e-01 3.10214095e-01] [5.07318744e-01 3.10214095e-01 1.89785905e-01] [4.92681256e-01 1.89785905e-01 6.89785905e-01] [9.92681256e-01 8.10214095e-01 8.10214095e-01] [6.89785905e-01 1.89785905e-01 4.92681256e-01] [1.89785905e-01 3.10214095e-01 5.07318744e-01] [3.10214095e-01 6.89785905e-01 7.31874408e-03] [4.92681256e-01 6.89785905e-01 1.89785905e-01] [5.07318744e-01 1.89785905e-01 3.10214095e-01] [7.31874408e-03 3.10214095e-01 6.89785905e-01] [1.89785905e-01 4.92681256e-01 6.89785905e-01] [3.10214095e-01 5.07318744e-01 1.89785905e-01] [6.89785905e-01 7.31874408e-03 3.10214095e-01] [6.02140954e-02 5.60214095e-01 7.57318744e-01] [5.60214095e-01 9.39785905e-01 2.42681256e-01] [9.39785905e-01 6.02140954e-02 7.42681256e-01] [6.02140954e-02 7.42681256e-01 9.39785905e-01] [9.39785905e-01 2.42681256e-01 5.60214095e-01] [5.60214095e-01 7.57318744e-01 6.02140954e-02] [2.42681256e-01 5.60214095e-01 9.39785905e-01] [7.42681256e-01 9.39785905e-01 6.02140954e-02] [7.57318744e-01 6.02140954e-02 5.60214095e-01] [4.39785905e-01 9.39785905e-01 7.57318744e-01] [5.60214095e-01 5.60214095e-01 2.57318744e-01] [6.02140954e-02 4.39785905e-01 2.42681256e-01] [2.57318744e-01 9.39785905e-01 9.39785905e-01] [7.42681256e-01 5.60214095e-01 4.39785905e-01] [2.42681256e-01 4.39785905e-01 6.02140954e-02] [4.39785905e-01 7.57318744e-01 9.39785905e-01] [6.02140954e-02 2.57318744e-01 6.02140954e-02] [5.60214095e-01 7.42681256e-01 4.39785905e-01] [1.89785905e-01 1.89785905e-01 9.92681256e-01] [8.10214095e-01 3.10214095e-01 4.92681256e-01] [6.89785905e-01 8.10214095e-01 5.07318744e-01] [1.89785905e-01 7.31874408e-03 8.10214095e-01] [8.10214095e-01 4.92681256e-01 3.10214095e-01] [6.89785905e-01 9.92681256e-01 6.89785905e-01] [7.31874408e-03 1.89785905e-01 8.10214095e-01] [5.07318744e-01 8.10214095e-01 6.89785905e-01] [9.92681256e-01 3.10214095e-01 3.10214095e-01] [6.89785905e-01 6.89785905e-01 9.92681256e-01] [1.89785905e-01 8.10214095e-01 7.31874408e-03] [5.07318744e-01 6.89785905e-01 8.10214095e-01] [7.31874408e-03 8.10214095e-01 1.89785905e-01] [1.89785905e-01 9.92681256e-01 1.89785905e-01] [6.89785905e-01 5.07318744e-01 8.10214095e-01] [6.02140954e-02 6.02140954e-02 2.57318744e-01] [5.60214095e-01 4.39785905e-01 7.42681256e-01] [6.02140954e-02 2.42681256e-01 4.39785905e-01] [5.60214095e-01 2.57318744e-01 5.60214095e-01] [2.42681256e-01 6.02140954e-02 4.39785905e-01] [7.42681256e-01 4.39785905e-01 5.60214095e-01] [9.39785905e-01 4.39785905e-01 7.57318744e-01] [4.39785905e-01 5.60214095e-01 7.42681256e-01] [7.57318744e-01 4.39785905e-01 9.39785905e-01] [2.57318744e-01 5.60214095e-01 5.60214095e-01] [9.39785905e-01 2.57318744e-01 9.39785905e-01] [4.39785905e-01 7.42681256e-01 5.60214095e-01] [3.10214095e-01 8.10214095e-01 4.92681256e-01] [8.10214095e-01 1.89785905e-01 7.31874408e-03] [8.10214095e-01 7.31874408e-03 1.89785905e-01] [3.10214095e-01 9.92681256e-01 3.10214095e-01] [9.92681256e-01 1.89785905e-01 1.89785905e-01] [4.92681256e-01 8.10214095e-01 3.10214095e-01] [8.10214095e-01 6.89785905e-01 5.07318744e-01] [9.92681256e-01 6.89785905e-01 6.89785905e-01] [8.10214095e-01 5.07318744e-01 6.89785905e-01] [4.39785905e-01 6.02140954e-02 2.42681256e-01] [4.39785905e-01 2.42681256e-01 6.02140954e-02] [2.57318744e-01 6.02140954e-02 6.02140954e-02] [9.39785905e-01 9.39785905e-01 2.57318744e-01] [7.57318744e-01 9.39785905e-01 4.39785905e-01] [9.39785905e-01 7.57318744e-01 4.39785905e-01] [3.10214095e-01 3.10214095e-01 9.92681256e-01] [3.10214095e-01 4.92681256e-01 8.10214095e-01] [4.92681256e-01 3.10214095e-01 8.10214095e-01]] cellpar = Cell([[15.249488287722958, 5.743631847210231e-32, 2.4407816084966e-33], [-3.2617454695515744e-32, 15.249488287722958, 4.656222938674148e-19], [-2.4386805074970593e-33, 4.656222938674017e-19, 15.249488287722958]]) forces = [[ 7.51857821e-31 -3.50866983e-30 -4.00990838e-30] [ 7.96566729e-64 -2.50619274e-31 -1.62902528e-30] [-8.77167458e-31 2.25557346e-30 -3.88459874e-30] [-2.13026383e-30 1.62902528e-30 5.01238547e-31] [ 1.72300751e-30 -8.30176344e-31 2.19291864e-30] [ 1.53504305e-30 4.97322621e-30 2.63150237e-30] [ 1.31575119e-30 -5.95220775e-31 -6.26548184e-32] [ 2.50619274e-30 -2.28690087e-30 3.47734242e-30] [-1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 -1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [-1.31594317e-09 1.31594317e-09 1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [-1.31594317e-09 1.31594317e-09 1.31594317e-09] [-1.31594317e-09 -1.31594317e-09 -1.31594317e-09] [ 1.31594317e-09 1.31594317e-09 1.31594317e-09] [ 5.73901240e-10 5.73901240e-10 6.94259242e-11] [-5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [ 6.94259242e-11 5.73901240e-10 5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 5.73901240e-10] [-5.73901240e-10 6.94259242e-11 -5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 6.94259242e-11] [ 5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 6.94259242e-11 5.73901240e-10] [-5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 5.73901240e-10 5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 6.94259242e-11] [-6.94259242e-11 5.73901240e-10 5.73901240e-10] [ 6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 5.73901240e-10] [-5.73901240e-10 6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 6.94259242e-11] [-5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 -6.94259242e-11] [ 6.94259242e-11 5.73901240e-10 5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 5.73901240e-10] [-5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 6.94259242e-11] [ 5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 6.94259242e-11] [ 6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -5.73901240e-10 6.94259242e-11] [-5.73901240e-10 5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 -6.94259242e-11 5.73901240e-10] [-5.73901240e-10 6.94259242e-11 -5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 5.73901240e-10] [-6.94259242e-11 5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 6.94259242e-11] [ 5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [ 6.94259242e-11 5.73901240e-10 5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [-5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 5.73901240e-10 6.94259242e-11] [-5.73901240e-10 6.94259242e-11 5.73901240e-10] [-5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [-6.94259242e-11 5.73901240e-10 5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [-5.73901240e-10 5.73901240e-10 6.94259242e-11] [-6.94259242e-11 5.73901240e-10 5.73901240e-10] [-5.73901240e-10 6.94259242e-11 5.73901240e-10] [ 5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [ 5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [ 6.94259242e-11 -5.73901240e-10 -5.73901240e-10] [ 5.73901240e-10 5.73901240e-10 6.94259242e-11] [ 6.94259242e-11 5.73901240e-10 5.73901240e-10] [ 5.73901240e-10 6.94259242e-11 5.73901240e-10] [-5.73901240e-10 -5.73901240e-10 -6.94259242e-11] [-5.73901240e-10 -6.94259242e-11 -5.73901240e-10] [-6.94259242e-11 -5.73901240e-10 -5.73901240e-10]] stress = [ 2.64266358e-11 2.64266358e-11 2.64266358e-11 7.58860654e-31 -6.61413340e-61 -4.67339528e-60] energy per atom = -4.140460052437431 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0