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: Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 ==== 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 18:14:55 -533.024411 1.9781 BFGS: 1 18:14:55 -536.855719 1.8405 BFGS: 2 18:14:56 -538.873178 1.7652 BFGS: 3 18:14:58 -540.538041 1.7124 BFGS: 4 18:14:58 -542.162851 1.6645 BFGS: 5 18:15:00 -543.754205 1.6192 BFGS: 6 18:15:02 -545.291993 1.5764 BFGS: 7 18:15:04 -546.751950 1.5365 BFGS: 8 18:15:06 -548.115931 1.4997 BFGS: 9 18:15:07 -549.379009 1.4654 BFGS: 10 18:15:08 -550.550925 1.4329 BFGS: 11 18:15:11 -551.649303 1.4009 BFGS: 12 18:15:12 -552.686095 1.3687 BFGS: 13 18:15:14 -553.654500 1.3361 BFGS: 14 18:15:16 -554.525192 1.3039 BFGS: 15 18:15:18 -555.257919 1.2735 BFGS: 16 18:15:20 -555.825327 1.2458 BFGS: 17 18:15:22 -556.230423 1.2211 BFGS: 18 18:15:24 -556.503854 1.1992 BFGS: 19 18:15:25 -556.688796 1.1792 BFGS: 20 18:15:27 -556.825830 1.1604 BFGS: 21 18:15:28 -556.943359 1.1422 BFGS: 22 18:15:29 -557.056236 1.1244 BFGS: 23 18:15:32 -557.170483 1.1068 BFGS: 24 18:15:33 -557.287998 1.0892 BFGS: 25 18:15:35 -557.409071 1.0718 BFGS: 26 18:15:36 -557.533421 1.0543 BFGS: 27 18:15:38 -557.660604 1.0370 BFGS: 28 18:15:39 -557.790146 1.0197 BFGS: 29 18:15:40 -557.921596 1.0024 BFGS: 30 18:15:41 -558.054536 0.9852 BFGS: 31 18:15:41 -558.188585 0.9681 BFGS: 32 18:15:42 -558.323389 0.9510 BFGS: 33 18:15:43 -558.458625 0.9339 BFGS: 34 18:15:44 -558.593994 0.9169 BFGS: 35 18:15:45 -558.729219 0.8999 BFGS: 36 18:15:46 -558.864047 0.8830 BFGS: 37 18:15:47 -558.998243 0.8662 BFGS: 38 18:15:48 -559.131591 0.8494 BFGS: 39 18:15:49 -559.263895 0.8327 BFGS: 40 18:15:50 -559.394975 0.8160 BFGS: 41 18:15:51 -559.524669 0.7994 BFGS: 42 18:15:52 -559.652831 0.7829 BFGS: 43 18:15:53 -559.779327 0.7664 BFGS: 44 18:15:53 -559.904039 0.7500 BFGS: 45 18:15:54 -560.026864 0.7336 BFGS: 46 18:15:55 -560.147706 0.7174 BFGS: 47 18:15:56 -560.266483 0.7011 BFGS: 48 18:15:57 -560.383123 0.6850 BFGS: 49 18:15:58 -560.497561 0.6689 BFGS: 50 18:15:58 -560.609743 0.6529 BFGS: 51 18:15:59 -560.719619 0.6369 BFGS: 52 18:16:00 -560.827148 0.6211 BFGS: 53 18:16:01 -560.932293 0.6053 BFGS: 54 18:16:02 -561.035025 0.5895 BFGS: 55 18:16:02 -561.135318 0.5739 BFGS: 56 18:16:04 -561.233149 0.5582 BFGS: 57 18:16:05 -561.328500 0.5427 BFGS: 58 18:16:06 -561.421357 0.5273 BFGS: 59 18:16:07 -561.511707 0.5119 BFGS: 60 18:16:07 -561.599542 0.4965 BFGS: 61 18:16:08 -561.684853 0.4813 BFGS: 62 18:16:09 -561.767637 0.4661 BFGS: 63 18:16:10 -561.847889 0.4510 BFGS: 64 18:16:10 -561.925608 0.4359 BFGS: 65 18:16:11 -562.000793 0.4209 BFGS: 66 18:16:12 -562.073445 0.4060 BFGS: 67 18:16:12 -562.143566 0.3912 BFGS: 68 18:16:13 -562.211158 0.3764 BFGS: 69 18:16:14 -562.276225 0.3617 BFGS: 70 18:16:15 -562.338771 0.3470 BFGS: 71 18:16:16 -562.398800 0.3324 BFGS: 72 18:16:16 -562.456319 0.3179 BFGS: 73 18:16:17 -562.511333 0.3035 BFGS: 74 18:16:18 -562.563849 0.2891 BFGS: 75 18:16:18 -562.613872 0.2748 BFGS: 76 18:16:19 -562.661409 0.2605 BFGS: 77 18:16:20 -562.706469 0.2464 BFGS: 78 18:16:21 -562.749058 0.2323 BFGS: 79 18:16:22 -562.789183 0.2182 BFGS: 80 18:16:23 -562.826852 0.2042 BFGS: 81 18:16:24 -562.862074 0.1903 BFGS: 82 18:16:24 -562.894856 0.1765 BFGS: 83 18:16:25 -562.925205 0.1627 BFGS: 84 18:16:26 -562.953131 0.1490 BFGS: 85 18:16:27 -562.978640 0.1353 BFGS: 86 18:16:28 -563.001741 0.1218 BFGS: 87 18:16:28 -563.022441 0.1083 BFGS: 88 18:16:29 -563.040749 0.0948 BFGS: 89 18:16:31 -563.056672 0.0814 BFGS: 90 18:16:32 -563.070217 0.0681 BFGS: 91 18:16:34 -563.081392 0.0549 BFGS: 92 18:16:34 -563.090202 0.0417 BFGS: 93 18:16:35 -563.096653 0.0286 BFGS: 94 18:16:36 -563.100750 0.0155 BFGS: 95 18:16:37 -563.102492 0.0034 BFGS: 96 18:16:38 -563.102560 0.0014 BFGS: 97 18:16:39 -563.102562 0.0012 BFGS: 98 18:16:39 -563.102567 0.0001 BFGS: 99 18:16:40 -563.102567 0.0001 BFGS: 100 18:16:41 -563.102567 0.0001 BFGS: 101 18:16:42 -563.102567 0.0000 BFGS: 102 18:16:42 -563.102567 0.0000 BFGS: 103 18:16:43 -563.102567 0.0000 BFGS: 104 18:16:44 -563.102567 0.0000 BFGS: 105 18:16:45 -563.102567 0.0000 BFGS: 106 18:16:46 -563.102567 0.0000 BFGS: 107 18:16:47 -563.102567 0.0000 Minimization converged after 107 steps. Maximum force component: 1.315939170132286e-09 eV/Angstrom Maximum stress component: 2.6426122713250994e-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 4.79713147e-33 1.11920383e-32] [4.31203543e-34 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.17354043e-33] [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([[15.24948828772287, -9.362804246304427e-32, -3.06692982074435e-32], [-1.3275341588617912e-32, 15.24948828772287, -1.2831097558156117e-17], [4.78314166999878e-32, -1.2831097558156142e-17, 15.24948828772287]]) forces = [[ 6.26548184e-31 -5.01238547e-31 3.13274092e-31] [-2.50619274e-31 -3.13274092e-31 -1.25309637e-31] [-6.26548184e-31 5.01238547e-31 -3.13274092e-31] [ 7.51857821e-31 7.51857821e-31 -3.75928910e-31] [-5.01238547e-31 2.50619274e-31 4.38583729e-31] [ 1.22176896e-30 5.01238547e-31 6.26548184e-31] [-4.07256320e-31 -5.32565956e-31 -6.26548184e-31] [-2.50619274e-31 -6.26548184e-32 1.25309637e-31] [-1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 -1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [-1.31593917e-09 1.31593917e-09 1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [-1.31593917e-09 1.31593917e-09 1.31593917e-09] [-1.31593917e-09 -1.31593917e-09 -1.31593917e-09] [ 1.31593917e-09 1.31593917e-09 1.31593917e-09] [ 5.73907366e-10 5.73907366e-10 6.94343126e-11] [-5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [ 6.94343126e-11 5.73907366e-10 5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 5.73907366e-10] [-5.73907366e-10 6.94343126e-11 -5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 6.94343126e-11] [ 5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 6.94343126e-11 5.73907366e-10] [-5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 5.73907366e-10 5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 6.94343126e-11] [-6.94343126e-11 5.73907366e-10 5.73907366e-10] [ 6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 5.73907366e-10] [-5.73907366e-10 6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 6.94343126e-11] [-5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 -6.94343126e-11] [ 6.94343126e-11 5.73907366e-10 5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 5.73907366e-10] [-5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 6.94343126e-11] [ 5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 6.94343126e-11] [ 6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -5.73907366e-10 6.94343126e-11] [-5.73907366e-10 5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 -6.94343126e-11 5.73907366e-10] [-5.73907366e-10 6.94343126e-11 -5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 5.73907366e-10] [-6.94343126e-11 5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 6.94343126e-11] [ 5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [ 6.94343126e-11 5.73907366e-10 5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [-5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 5.73907366e-10 6.94343126e-11] [-5.73907366e-10 6.94343126e-11 5.73907366e-10] [-5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [-6.94343126e-11 5.73907366e-10 5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [-5.73907366e-10 5.73907366e-10 6.94343126e-11] [-6.94343126e-11 5.73907366e-10 5.73907366e-10] [-5.73907366e-10 6.94343126e-11 5.73907366e-10] [ 5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [ 5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [ 6.94343126e-11 -5.73907366e-10 -5.73907366e-10] [ 5.73907366e-10 5.73907366e-10 6.94343126e-11] [ 6.94343126e-11 5.73907366e-10 5.73907366e-10] [ 5.73907366e-10 6.94343126e-11 5.73907366e-10] [-5.73907366e-10 -5.73907366e-10 -6.94343126e-11] [-5.73907366e-10 -6.94343126e-11 -5.73907366e-10] [-6.94343126e-11 -5.73907366e-10 -5.73907366e-10]] stress = [ 2.64261227e-11 2.64261227e-11 2.64261227e-11 -2.54418843e-28 -6.00500596e-59 3.39492637e-60] energy per atom = -4.140460052437426 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0