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 16:04:37 -533.024411 1.978108 BFGS: 1 16:04:39 -536.855719 1.840539 BFGS: 2 16:04:40 -538.873178 1.765155 BFGS: 3 16:04:41 -540.538041 1.712351 BFGS: 4 16:04:43 -542.162851 1.664499 BFGS: 5 16:04:44 -543.754205 1.619173 BFGS: 6 16:04:46 -545.291993 1.576379 BFGS: 7 16:04:48 -546.751950 1.536502 BFGS: 8 16:04:51 -548.115931 1.499660 BFGS: 9 16:04:53 -549.379009 1.465438 BFGS: 10 16:04:54 -550.550925 1.432903 BFGS: 11 16:04:55 -551.649303 1.400924 BFGS: 12 16:04:56 -552.686095 1.368676 BFGS: 13 16:04:58 -553.654500 1.336086 BFGS: 14 16:05:00 -554.525192 1.303929 BFGS: 15 16:05:02 -555.257919 1.273465 BFGS: 16 16:05:03 -555.825327 1.245752 BFGS: 17 16:05:06 -556.230423 1.221120 BFGS: 18 16:05:07 -556.503854 1.199185 BFGS: 19 16:05:08 -556.688796 1.179197 BFGS: 20 16:05:10 -556.825830 1.160399 BFGS: 21 16:05:12 -556.943359 1.142241 BFGS: 22 16:05:15 -557.056236 1.124411 BFGS: 23 16:05:19 -557.170483 1.106760 BFGS: 24 16:05:21 -557.287998 1.089218 BFGS: 25 16:05:22 -557.409071 1.071753 BFGS: 26 16:05:26 -557.533421 1.054350 BFGS: 27 16:05:33 -557.660604 1.036999 BFGS: 28 16:05:38 -557.790146 1.019697 BFGS: 29 16:05:41 -557.921596 1.002443 BFGS: 30 16:05:42 -558.054536 0.985236 BFGS: 31 16:05:44 -558.188585 0.968077 BFGS: 32 16:05:46 -558.323389 0.950967 BFGS: 33 16:05:48 -558.458625 0.933907 BFGS: 34 16:05:50 -558.593994 0.916898 BFGS: 35 16:05:53 -558.729219 0.899943 BFGS: 36 16:05:56 -558.864047 0.883043 BFGS: 37 16:05:59 -558.998243 0.866199 BFGS: 38 16:06:02 -559.131591 0.849413 BFGS: 39 16:06:05 -559.263895 0.832686 BFGS: 40 16:06:07 -559.394975 0.816019 BFGS: 41 16:06:11 -559.524669 0.799414 BFGS: 42 16:06:13 -559.652831 0.782873 BFGS: 43 16:06:16 -559.779327 0.766395 BFGS: 44 16:06:19 -559.904039 0.749981 BFGS: 45 16:06:22 -560.026864 0.733633 BFGS: 46 16:06:27 -560.147706 0.717351 BFGS: 47 16:06:29 -560.266483 0.701136 BFGS: 48 16:06:31 -560.383123 0.684987 BFGS: 49 16:06:33 -560.497561 0.668906 BFGS: 50 16:06:35 -560.609743 0.652893 BFGS: 51 16:06:39 -560.719619 0.636948 BFGS: 52 16:06:41 -560.827148 0.621071 BFGS: 53 16:06:42 -560.932293 0.605263 BFGS: 54 16:06:44 -561.035025 0.589523 BFGS: 55 16:06:46 -561.135318 0.573852 BFGS: 56 16:06:48 -561.233149 0.558250 BFGS: 57 16:06:49 -561.328500 0.542716 BFGS: 58 16:06:52 -561.421357 0.527251 BFGS: 59 16:06:54 -561.511707 0.511855 BFGS: 60 16:06:56 -561.599542 0.496527 BFGS: 61 16:06:58 -561.684853 0.481268 BFGS: 62 16:07:00 -561.767637 0.466078 BFGS: 63 16:07:05 -561.847889 0.450956 BFGS: 64 16:07:06 -561.925608 0.435902 BFGS: 65 16:07:07 -562.000793 0.420917 BFGS: 66 16:07:10 -562.073445 0.406000 BFGS: 67 16:07:11 -562.143566 0.391151 BFGS: 68 16:07:13 -562.211158 0.376369 BFGS: 69 16:07:14 -562.276225 0.361656 BFGS: 70 16:07:15 -562.338771 0.347010 BFGS: 71 16:07:16 -562.398800 0.332431 BFGS: 72 16:07:19 -562.456319 0.317920 BFGS: 73 16:07:24 -562.511333 0.303476 BFGS: 74 16:07:28 -562.563849 0.289100 BFGS: 75 16:07:32 -562.613872 0.274790 BFGS: 76 16:07:33 -562.661409 0.260547 BFGS: 77 16:07:34 -562.706469 0.246371 BFGS: 78 16:07:37 -562.749058 0.232261 BFGS: 79 16:07:40 -562.789183 0.218218 BFGS: 80 16:07:43 -562.826852 0.204242 BFGS: 81 16:07:45 -562.862074 0.190331 BFGS: 82 16:07:46 -562.894856 0.176487 BFGS: 83 16:07:47 -562.925205 0.162708 BFGS: 84 16:07:51 -562.953131 0.148996 BFGS: 85 16:07:55 -562.978640 0.135349 BFGS: 86 16:07:57 -563.001741 0.121768 BFGS: 87 16:07:58 -563.022441 0.108253 BFGS: 88 16:08:00 -563.040749 0.094804 BFGS: 89 16:08:03 -563.056672 0.081421 BFGS: 90 16:08:04 -563.070217 0.068104 BFGS: 91 16:08:05 -563.081392 0.054853 BFGS: 92 16:08:06 -563.090202 0.041668 BFGS: 93 16:08:07 -563.096653 0.028551 BFGS: 94 16:08:08 -563.100750 0.015503 BFGS: 95 16:08:10 -563.102492 0.003428 BFGS: 96 16:08:12 -563.102560 0.001402 BFGS: 97 16:08:15 -563.102562 0.001221 BFGS: 98 16:08:16 -563.102567 0.000134 BFGS: 99 16:08:18 -563.102567 0.000119 BFGS: 100 16:08:21 -563.102567 0.000076 BFGS: 101 16:08:22 -563.102567 0.000029 BFGS: 102 16:08:25 -563.102567 0.000006 BFGS: 103 16:08:29 -563.102567 0.000003 BFGS: 104 16:08:33 -563.102567 0.000001 BFGS: 105 16:08:34 -563.102567 0.000000 BFGS: 106 16:08:36 -563.102567 0.000000 BFGS: 107 16:08:40 -563.102567 0.000000 Minimization converged after 107 steps. Maximum force component: 1.3159275324507269e-09 eV/Angstrom Maximum stress component: 2.6426193043770112e-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 = [[1.21756143e-33 4.29270457e-33 0.00000000e+00] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00] [5.00000000e-01 4.16772596e-33 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, -5.615386165144413e-32, -2.4881234742520477e-32], [2.541915622824752e-32, 15.24948828772287, -4.246133361118085e-18], [5.147122250514364e-33, -4.246133361118106e-18, 15.24948828772287]]) forces = [[-9.39822276e-31 1.31575119e-30 -5.87388923e-31] [ 1.00247709e-30 -1.56637046e-32 5.01238547e-31] [-7.83185230e-31 2.81946683e-31 -1.48805194e-31] [ 1.09645932e-30 -1.50371564e-30 7.51857821e-31] [ 9.39822276e-31 8.14512639e-31 -5.87388923e-31] [-3.99424467e-31 -1.12778673e-30 -1.87964455e-31] [ 1.48805194e-30 2.97610387e-31 -8.45840049e-31] [-1.00247709e-30 -1.62510935e-30 -1.25309637e-31] [-1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 -1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [-1.31592753e-09 1.31592753e-09 1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [-1.31592753e-09 1.31592753e-09 1.31592753e-09] [-1.31592753e-09 -1.31592753e-09 -1.31592753e-09] [ 1.31592753e-09 1.31592753e-09 1.31592753e-09] [ 5.73910948e-10 5.73910948e-10 6.94236715e-11] [-5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [ 6.94236715e-11 5.73910948e-10 5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 5.73910948e-10] [-5.73910948e-10 6.94236715e-11 -5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 6.94236715e-11] [ 5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 6.94236715e-11 5.73910948e-10] [-5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 5.73910948e-10 5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 6.94236715e-11] [-6.94236715e-11 5.73910948e-10 5.73910948e-10] [ 6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 5.73910948e-10] [-5.73910948e-10 6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 6.94236715e-11] [-5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 -6.94236715e-11] [ 6.94236715e-11 5.73910948e-10 5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 5.73910948e-10] [-5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 6.94236715e-11] [ 5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 6.94236715e-11] [ 6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -5.73910948e-10 6.94236715e-11] [-5.73910948e-10 5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 -6.94236715e-11 5.73910948e-10] [-5.73910948e-10 6.94236715e-11 -5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 5.73910948e-10] [-6.94236715e-11 5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 6.94236715e-11] [ 5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [ 6.94236715e-11 5.73910948e-10 5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [-5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 5.73910948e-10 6.94236715e-11] [-5.73910948e-10 6.94236715e-11 5.73910948e-10] [-5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [-6.94236715e-11 5.73910948e-10 5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [-5.73910948e-10 5.73910948e-10 6.94236715e-11] [-6.94236715e-11 5.73910948e-10 5.73910948e-10] [-5.73910948e-10 6.94236715e-11 5.73910948e-10] [ 5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [ 5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [ 6.94236715e-11 -5.73910948e-10 -5.73910948e-10] [ 5.73910948e-10 5.73910948e-10 6.94236715e-11] [ 6.94236715e-11 5.73910948e-10 5.73910948e-10] [ 5.73910948e-10 6.94236715e-11 5.73910948e-10] [-5.73910948e-10 -5.73910948e-10 -6.94236715e-11] [-5.73910948e-10 -6.94236715e-11 -5.73910948e-10] [-6.94236715e-11 -5.73910948e-10 -5.73910948e-10]] stress = [ 2.64261930e-11 2.64261930e-11 2.64261930e-11 2.01069916e-27 -1.41344414e-34 -2.62659768e-52] energy per atom = -4.140460052437427 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0