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_001 ==== 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 16:00:38 -533.024411 1.978108 BFGS: 1 16:00:38 -536.855719 1.840539 BFGS: 2 16:00:38 -538.873178 1.765155 BFGS: 3 16:00:39 -540.538041 1.712351 BFGS: 4 16:00:39 -542.162851 1.664499 BFGS: 5 16:00:39 -543.754205 1.619173 BFGS: 6 16:00:39 -545.291993 1.576380 BFGS: 7 16:00:40 -546.751950 1.536503 BFGS: 8 16:00:40 -548.115930 1.499660 BFGS: 9 16:00:40 -549.379009 1.465438 BFGS: 10 16:00:41 -550.550925 1.432904 BFGS: 11 16:00:41 -551.649302 1.400924 BFGS: 12 16:00:42 -552.686094 1.368676 BFGS: 13 16:00:42 -553.654500 1.336086 BFGS: 14 16:00:42 -554.525192 1.303929 BFGS: 15 16:00:43 -555.257919 1.273465 BFGS: 16 16:00:43 -555.825327 1.245752 BFGS: 17 16:00:44 -556.230422 1.221120 BFGS: 18 16:00:44 -556.503854 1.199185 BFGS: 19 16:00:44 -556.688796 1.179198 BFGS: 20 16:00:45 -556.825831 1.160399 BFGS: 21 16:00:45 -556.943359 1.142241 BFGS: 22 16:00:45 -557.056236 1.124411 BFGS: 23 16:00:46 -557.170483 1.106760 BFGS: 24 16:00:46 -557.287998 1.089218 BFGS: 25 16:00:46 -557.409071 1.071753 BFGS: 26 16:00:47 -557.533421 1.054350 BFGS: 27 16:00:47 -557.660604 1.036999 BFGS: 28 16:00:47 -557.790146 1.019697 BFGS: 29 16:00:48 -557.921596 1.002443 BFGS: 30 16:00:48 -558.054536 0.985236 BFGS: 31 16:00:48 -558.188585 0.968077 BFGS: 32 16:00:49 -558.323389 0.950967 BFGS: 33 16:00:49 -558.458625 0.933907 BFGS: 34 16:00:49 -558.593994 0.916898 BFGS: 35 16:00:50 -558.729219 0.899943 BFGS: 36 16:00:50 -558.864047 0.883043 BFGS: 37 16:00:50 -558.998243 0.866199 BFGS: 38 16:00:51 -559.131591 0.849413 BFGS: 39 16:00:51 -559.263895 0.832686 BFGS: 40 16:00:52 -559.394975 0.816019 BFGS: 41 16:00:52 -559.524669 0.799414 BFGS: 42 16:00:52 -559.652830 0.782873 BFGS: 43 16:00:52 -559.779326 0.766395 BFGS: 44 16:00:53 -559.904039 0.749981 BFGS: 45 16:00:53 -560.026863 0.733633 BFGS: 46 16:00:53 -560.147706 0.717351 BFGS: 47 16:00:53 -560.266483 0.701136 BFGS: 48 16:00:54 -560.383123 0.684987 BFGS: 49 16:00:54 -560.497561 0.668906 BFGS: 50 16:00:54 -560.609743 0.652893 BFGS: 51 16:00:55 -560.719619 0.636948 BFGS: 52 16:00:55 -560.827148 0.621071 BFGS: 53 16:00:55 -560.932293 0.605263 BFGS: 54 16:00:55 -561.035025 0.589523 BFGS: 55 16:00:56 -561.135318 0.573852 BFGS: 56 16:00:56 -561.233148 0.558250 BFGS: 57 16:00:56 -561.328500 0.542716 BFGS: 58 16:00:56 -561.421357 0.527251 BFGS: 59 16:00:57 -561.511707 0.511855 BFGS: 60 16:00:57 -561.599542 0.496527 BFGS: 61 16:00:57 -561.684853 0.481268 BFGS: 62 16:00:57 -561.767637 0.466078 BFGS: 63 16:00:57 -561.847889 0.450956 BFGS: 64 16:00:58 -561.925608 0.435902 BFGS: 65 16:00:58 -562.000793 0.420917 BFGS: 66 16:00:58 -562.073445 0.406000 BFGS: 67 16:00:58 -562.143566 0.391151 BFGS: 68 16:00:59 -562.211158 0.376369 BFGS: 69 16:00:59 -562.276225 0.361656 BFGS: 70 16:00:59 -562.338770 0.347010 BFGS: 71 16:01:00 -562.398800 0.332432 BFGS: 72 16:01:00 -562.456319 0.317920 BFGS: 73 16:01:00 -562.511333 0.303476 BFGS: 74 16:01:01 -562.563849 0.289100 BFGS: 75 16:01:01 -562.613872 0.274790 BFGS: 76 16:01:02 -562.661409 0.260547 BFGS: 77 16:01:02 -562.706469 0.246371 BFGS: 78 16:01:02 -562.749058 0.232261 BFGS: 79 16:01:03 -562.789183 0.218218 BFGS: 80 16:01:03 -562.826852 0.204242 BFGS: 81 16:01:03 -562.862074 0.190331 BFGS: 82 16:01:03 -562.894856 0.176487 BFGS: 83 16:01:04 -562.925205 0.162708 BFGS: 84 16:01:04 -562.953131 0.148996 BFGS: 85 16:01:04 -562.978640 0.135349 BFGS: 86 16:01:05 -563.001741 0.121768 BFGS: 87 16:01:05 -563.022441 0.108253 BFGS: 88 16:01:05 -563.040749 0.094804 BFGS: 89 16:01:06 -563.056672 0.081421 BFGS: 90 16:01:06 -563.070217 0.068104 BFGS: 91 16:01:06 -563.081392 0.054853 BFGS: 92 16:01:07 -563.090202 0.041668 BFGS: 93 16:01:07 -563.096653 0.028551 BFGS: 94 16:01:08 -563.100750 0.015503 BFGS: 95 16:01:08 -563.102492 0.003428 BFGS: 96 16:01:08 -563.102560 0.001402 BFGS: 97 16:01:09 -563.102562 0.001221 BFGS: 98 16:01:10 -563.102567 0.000134 BFGS: 99 16:01:10 -563.102567 0.000119 BFGS: 100 16:01:11 -563.102567 0.000076 BFGS: 101 16:01:11 -563.102567 0.000029 BFGS: 102 16:01:12 -563.102567 0.000006 BFGS: 103 16:01:12 -563.102567 0.000003 BFGS: 104 16:01:13 -563.102567 0.000001 BFGS: 105 16:01:13 -563.102567 0.000000 BFGS: 106 16:01:14 -563.102567 0.000000 BFGS: 107 16:01:14 -563.102567 0.000000 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