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_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_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 03:14:03 -516.313902 5.515246 BFGS: 1 03:14:04 -530.227260 3.152657 BFGS: 2 03:14:05 -534.401677 2.967474 BFGS: 3 03:14:06 -537.145367 2.843963 BFGS: 4 03:14:07 -539.968752 2.717928 BFGS: 5 03:14:08 -542.801789 2.592136 BFGS: 6 03:14:10 -545.555859 2.470292 BFGS: 7 03:14:11 -548.133277 2.356356 BFGS: 8 03:14:12 -550.448744 2.503516 BFGS: 9 03:14:13 -552.453128 2.619132 BFGS: 10 03:14:14 -554.147314 2.680081 BFGS: 11 03:14:15 -555.576195 2.689604 BFGS: 12 03:14:17 -556.805563 2.654364 BFGS: 13 03:14:18 -557.897225 2.582799 BFGS: 14 03:14:19 -558.895697 2.483277 BFGS: 15 03:14:20 -559.827222 2.363130 BFGS: 16 03:14:21 -560.704489 2.228335 BFGS: 17 03:14:23 -561.531840 2.083681 BFGS: 18 03:14:24 -562.309293 1.933021 BFGS: 19 03:14:25 -563.035277 1.779471 BFGS: 20 03:14:26 -563.708311 1.625536 BFGS: 21 03:14:27 -564.327846 1.515630 BFGS: 22 03:14:28 -564.894509 1.475532 BFGS: 23 03:14:30 -565.409999 1.437374 BFGS: 24 03:14:31 -565.876842 1.401095 BFGS: 25 03:14:32 -566.298119 1.366605 BFGS: 26 03:14:33 -566.677242 1.333793 BFGS: 27 03:14:34 -567.017777 1.302542 BFGS: 28 03:14:35 -567.323313 1.272726 BFGS: 29 03:14:37 -567.597374 1.244222 BFGS: 30 03:14:38 -567.843354 1.216907 BFGS: 31 03:14:39 -568.064475 1.190662 BFGS: 32 03:14:40 -568.263756 1.165376 BFGS: 33 03:14:41 -568.443997 1.140944 BFGS: 34 03:14:43 -568.607766 1.117268 BFGS: 35 03:14:44 -568.757401 1.094259 BFGS: 36 03:14:45 -568.895002 1.071834 BFGS: 37 03:14:46 -569.022446 1.049922 BFGS: 38 03:14:47 -569.141387 1.028454 BFGS: 39 03:14:48 -569.253275 1.007374 BFGS: 40 03:14:50 -569.359366 0.986629 BFGS: 41 03:14:51 -569.460734 0.966175 BFGS: 42 03:14:52 -569.558294 0.945972 BFGS: 43 03:14:53 -569.652816 0.925986 BFGS: 44 03:14:54 -569.744942 0.906190 BFGS: 45 03:14:55 -569.835202 0.886559 BFGS: 46 03:14:57 -569.924031 0.867071 BFGS: 47 03:14:58 -570.011782 0.847711 BFGS: 48 03:14:59 -570.098740 0.828463 BFGS: 49 03:15:00 -570.185130 0.809315 BFGS: 50 03:15:01 -570.271131 0.790258 BFGS: 51 03:15:03 -570.356881 0.771283 BFGS: 52 03:15:04 -570.442484 0.752384 BFGS: 53 03:15:05 -570.528018 0.747168 BFGS: 54 03:15:06 -570.613536 0.758157 BFGS: 55 03:15:07 -570.699074 0.767492 BFGS: 56 03:15:08 -570.784649 0.775254 BFGS: 57 03:15:10 -570.870268 0.781520 BFGS: 58 03:15:11 -570.955924 0.786357 BFGS: 59 03:15:12 -571.041602 0.789830 BFGS: 60 03:15:13 -571.127278 0.791995 BFGS: 61 03:15:14 -571.212920 0.792904 BFGS: 62 03:15:15 -571.298491 0.792603 BFGS: 63 03:15:17 -571.383947 0.791135 BFGS: 64 03:15:18 -571.469239 0.788539 BFGS: 65 03:15:19 -571.554315 0.784849 BFGS: 66 03:15:20 -571.639116 0.780097 BFGS: 67 03:15:21 -571.723580 0.774312 BFGS: 68 03:15:23 -571.807642 0.767518 BFGS: 69 03:15:24 -571.891231 0.759739 BFGS: 70 03:15:25 -571.974273 0.750994 BFGS: 71 03:15:26 -572.056692 0.741301 BFGS: 72 03:15:27 -572.138405 0.730674 BFGS: 73 03:15:28 -572.219327 0.719127 BFGS: 74 03:15:30 -572.299369 0.706670 BFGS: 75 03:15:31 -572.378439 0.693312 BFGS: 76 03:15:32 -572.456438 0.679058 BFGS: 77 03:15:33 -572.533266 0.663912 BFGS: 78 03:15:34 -572.608815 0.647877 BFGS: 79 03:15:36 -572.682976 0.630950 BFGS: 80 03:15:37 -572.755631 0.613129 BFGS: 81 03:15:38 -572.826661 0.594407 BFGS: 82 03:15:39 -572.895939 0.574776 BFGS: 83 03:15:40 -572.963330 0.554222 BFGS: 84 03:15:41 -573.028698 0.532728 BFGS: 85 03:15:42 -573.091894 0.510275 BFGS: 86 03:15:44 -573.152765 0.486836 BFGS: 87 03:15:45 -573.211147 0.462378 BFGS: 88 03:15:46 -573.266869 0.436859 BFGS: 89 03:15:47 -573.319746 0.410231 BFGS: 90 03:15:49 -573.369582 0.382428 BFGS: 91 03:15:50 -573.416164 0.353368 BFGS: 92 03:15:51 -573.459261 0.322947 BFGS: 93 03:15:53 -573.498617 0.291020 BFGS: 94 03:15:54 -573.533945 0.257393 BFGS: 95 03:15:55 -573.564915 0.221780 BFGS: 96 03:15:56 -573.591130 0.183736 BFGS: 97 03:15:57 -573.612087 0.142485 BFGS: 98 03:15:59 -573.627072 0.096389 BFGS: 99 03:16:00 -573.634758 0.040150 BFGS: 100 03:16:01 -573.635928 0.030228 BFGS: 101 03:16:02 -573.639165 0.019957 BFGS: 102 03:16:04 -573.640758 0.009314 BFGS: 103 03:16:05 -573.641233 0.004468 BFGS: 104 03:16:06 -573.641263 0.001522 BFGS: 105 03:16:07 -573.641265 0.000900 BFGS: 106 03:16:09 -573.641265 0.000467 BFGS: 107 03:16:10 -573.641266 0.000165 BFGS: 108 03:16:11 -573.641266 0.000102 BFGS: 109 03:16:12 -573.641266 0.000065 BFGS: 110 03:16:14 -573.641266 0.000038 BFGS: 111 03:16:15 -573.641266 0.000010 BFGS: 112 03:16:16 -573.641266 0.000002 BFGS: 113 03:16:17 -573.641266 0.000000 BFGS: 114 03:16:19 -573.641266 0.000000 BFGS: 115 03:16:20 -573.641266 0.000000 Minimization converged after 115 steps. Maximum force component: 4.530671636471253e-10 eV/Angstrom Maximum stress component: 2.7553849642529185e-12 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 0.00000000e+00 0.00000000e+00] [6.63718592e-33 5.00000000e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.48131751e-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] [9.06461020e-01 9.06461020e-01 9.06461020e-01] [9.35389802e-02 5.93538980e-01 4.06461020e-01] [5.93538980e-01 4.06461020e-01 9.35389802e-02] [4.06461020e-01 9.35389802e-02 5.93538980e-01] [6.56461020e-01 1.56461020e-01 8.43538980e-01] [3.43538980e-01 3.43538980e-01 3.43538980e-01] [1.56461020e-01 8.43538980e-01 6.56461020e-01] [8.43538980e-01 6.56461020e-01 1.56461020e-01] [1.56461020e-01 6.56461020e-01 8.43538980e-01] [6.56461020e-01 8.43538980e-01 1.56461020e-01] [8.43538980e-01 1.56461020e-01 6.56461020e-01] [5.93538980e-01 9.35389802e-02 4.06461020e-01] [9.35389802e-02 4.06461020e-01 5.93538980e-01] [4.06461020e-01 5.93538980e-01 9.35389802e-02] [9.06461020e-01 4.06461020e-01 4.06461020e-01] [9.35389802e-02 9.35389802e-02 9.06461020e-01] [5.93538980e-01 9.06461020e-01 5.93538980e-01] [6.56461020e-01 6.56461020e-01 3.43538980e-01] [3.43538980e-01 8.43538980e-01 8.43538980e-01] [1.56461020e-01 3.43538980e-01 1.56461020e-01] [1.56461020e-01 1.56461020e-01 3.43538980e-01] [6.56461020e-01 3.43538980e-01 6.56461020e-01] [5.93538980e-01 5.93538980e-01 9.06461020e-01] [9.35389802e-02 9.06461020e-01 9.35389802e-02] [4.06461020e-01 9.06461020e-01 4.06461020e-01] [9.06461020e-01 9.35389802e-02 9.35389802e-02] [8.43538980e-01 3.43538980e-01 8.43538980e-01] [3.43538980e-01 6.56461020e-01 6.56461020e-01] [3.43538980e-01 1.56461020e-01 1.56461020e-01] [9.06461020e-01 5.93538980e-01 5.93538980e-01] [4.06461020e-01 4.06461020e-01 9.06461020e-01] [8.43538980e-01 8.43538980e-01 3.43538980e-01] [4.41139528e-01 4.41139528e-01 2.57717042e-01] [5.58860472e-01 5.88604717e-02 7.57717042e-01] [5.88604717e-02 9.41139528e-01 7.42282958e-01] [9.41139528e-01 5.58860472e-01 2.42282958e-01] [2.57717042e-01 4.41139528e-01 4.41139528e-01] [7.57717042e-01 5.58860472e-01 5.88604717e-02] [7.42282958e-01 5.88604717e-02 9.41139528e-01] [2.42282958e-01 9.41139528e-01 5.58860472e-01] [4.41139528e-01 2.57717042e-01 4.41139528e-01] [5.88604717e-02 7.57717042e-01 5.58860472e-01] [9.41139528e-01 7.42282958e-01 5.88604717e-02] [5.58860472e-01 2.42282958e-01 9.41139528e-01] [1.91139528e-01 6.91139528e-01 4.92282958e-01] [8.08860472e-01 8.08860472e-01 9.92282958e-01] [6.91139528e-01 3.08860472e-01 7.71704189e-03] [3.08860472e-01 1.91139528e-01 5.07717042e-01] [1.91139528e-01 5.07717042e-01 3.08860472e-01] [3.08860472e-01 7.71704189e-03 6.91139528e-01] [8.08860472e-01 9.92282958e-01 8.08860472e-01] [6.91139528e-01 4.92282958e-01 1.91139528e-01] [7.71704189e-03 6.91139528e-01 3.08860472e-01] [5.07717042e-01 3.08860472e-01 1.91139528e-01] [4.92282958e-01 1.91139528e-01 6.91139528e-01] [9.92282958e-01 8.08860472e-01 8.08860472e-01] [6.91139528e-01 1.91139528e-01 4.92282958e-01] [1.91139528e-01 3.08860472e-01 5.07717042e-01] [3.08860472e-01 6.91139528e-01 7.71704189e-03] [4.92282958e-01 6.91139528e-01 1.91139528e-01] [5.07717042e-01 1.91139528e-01 3.08860472e-01] [7.71704189e-03 3.08860472e-01 6.91139528e-01] [1.91139528e-01 4.92282958e-01 6.91139528e-01] [3.08860472e-01 5.07717042e-01 1.91139528e-01] [6.91139528e-01 7.71704189e-03 3.08860472e-01] [5.88604717e-02 5.58860472e-01 7.57717042e-01] [5.58860472e-01 9.41139528e-01 2.42282958e-01] [9.41139528e-01 5.88604717e-02 7.42282958e-01] [5.88604717e-02 7.42282958e-01 9.41139528e-01] [9.41139528e-01 2.42282958e-01 5.58860472e-01] [5.58860472e-01 7.57717042e-01 5.88604717e-02] [2.42282958e-01 5.58860472e-01 9.41139528e-01] [7.42282958e-01 9.41139528e-01 5.88604717e-02] [7.57717042e-01 5.88604717e-02 5.58860472e-01] [4.41139528e-01 9.41139528e-01 7.57717042e-01] [5.58860472e-01 5.58860472e-01 2.57717042e-01] [5.88604717e-02 4.41139528e-01 2.42282958e-01] [2.57717042e-01 9.41139528e-01 9.41139528e-01] [7.42282958e-01 5.58860472e-01 4.41139528e-01] [2.42282958e-01 4.41139528e-01 5.88604717e-02] [4.41139528e-01 7.57717042e-01 9.41139528e-01] [5.88604717e-02 2.57717042e-01 5.88604717e-02] [5.58860472e-01 7.42282958e-01 4.41139528e-01] [1.91139528e-01 1.91139528e-01 9.92282958e-01] [8.08860472e-01 3.08860472e-01 4.92282958e-01] [6.91139528e-01 8.08860472e-01 5.07717042e-01] [1.91139528e-01 7.71704189e-03 8.08860472e-01] [8.08860472e-01 4.92282958e-01 3.08860472e-01] [6.91139528e-01 9.92282958e-01 6.91139528e-01] [7.71704189e-03 1.91139528e-01 8.08860472e-01] [5.07717042e-01 8.08860472e-01 6.91139528e-01] [9.92282958e-01 3.08860472e-01 3.08860472e-01] [6.91139528e-01 6.91139528e-01 9.92282958e-01] [1.91139528e-01 8.08860472e-01 7.71704189e-03] [5.07717042e-01 6.91139528e-01 8.08860472e-01] [7.71704189e-03 8.08860472e-01 1.91139528e-01] [1.91139528e-01 9.92282958e-01 1.91139528e-01] [6.91139528e-01 5.07717042e-01 8.08860472e-01] [5.88604717e-02 5.88604717e-02 2.57717042e-01] [5.58860472e-01 4.41139528e-01 7.42282958e-01] [5.88604717e-02 2.42282958e-01 4.41139528e-01] [5.58860472e-01 2.57717042e-01 5.58860472e-01] [2.42282958e-01 5.88604717e-02 4.41139528e-01] [7.42282958e-01 4.41139528e-01 5.58860472e-01] [9.41139528e-01 4.41139528e-01 7.57717042e-01] [4.41139528e-01 5.58860472e-01 7.42282958e-01] [7.57717042e-01 4.41139528e-01 9.41139528e-01] [2.57717042e-01 5.58860472e-01 5.58860472e-01] [9.41139528e-01 2.57717042e-01 9.41139528e-01] [4.41139528e-01 7.42282958e-01 5.58860472e-01] [3.08860472e-01 8.08860472e-01 4.92282958e-01] [8.08860472e-01 1.91139528e-01 7.71704189e-03] [8.08860472e-01 7.71704189e-03 1.91139528e-01] [3.08860472e-01 9.92282958e-01 3.08860472e-01] [9.92282958e-01 1.91139528e-01 1.91139528e-01] [4.92282958e-01 8.08860472e-01 3.08860472e-01] [8.08860472e-01 6.91139528e-01 5.07717042e-01] [9.92282958e-01 6.91139528e-01 6.91139528e-01] [8.08860472e-01 5.07717042e-01 6.91139528e-01] [4.41139528e-01 5.88604717e-02 2.42282958e-01] [4.41139528e-01 2.42282958e-01 5.88604717e-02] [2.57717042e-01 5.88604717e-02 5.88604717e-02] [9.41139528e-01 9.41139528e-01 2.57717042e-01] [7.57717042e-01 9.41139528e-01 4.41139528e-01] [9.41139528e-01 7.57717042e-01 4.41139528e-01] [3.08860472e-01 3.08860472e-01 9.92282958e-01] [3.08860472e-01 4.92282958e-01 8.08860472e-01] [4.92282958e-01 3.08860472e-01 8.08860472e-01]] cellpar = Cell([[15.259715501133993, 8.816695651049558e-33, -2.797064655803849e-32], [-6.831790264398741e-33, 15.259715501133993, -1.4443094148163263e-17], [7.080269148624536e-32, -1.444309414816332e-17, 15.259715501133993]]) forces = [[ 4.51417237e-30 4.54552079e-30 2.25708618e-30] [ 3.76181031e-31 -1.88090515e-30 4.70226288e-30] [ 4.01259766e-30 -2.13169251e-30 1.25393677e-30] [ 1.63011780e-30 -7.33553010e-30 3.07214508e-30] [ 3.00944825e-30 5.51732178e-30 -6.48912278e-30] [-4.49849816e-30 -7.27283326e-30 4.01259766e-30] [ 1.53607254e-30 2.77433510e-30 -9.49857103e-30] [-5.76810914e-30 -1.07838562e-29 3.76181031e-30] [-4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 -4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [-4.53067164e-10 4.53067164e-10 4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [-4.53067164e-10 4.53067164e-10 4.53067164e-10] [-4.53067164e-10 -4.53067164e-10 -4.53067164e-10] [ 4.53067164e-10 4.53067164e-10 4.53067164e-10] [-3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 4.40393875e-11] [-4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [-4.40393875e-11 3.68989019e-10 3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 3.68989019e-10] [-3.68989019e-10 4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [-3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 4.40393875e-11 3.68989019e-10] [-3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [ 4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [-4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 -3.68989019e-10] [-3.68989019e-10 4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 4.40393875e-11] [-4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 -4.40393875e-11] [-3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 4.40393875e-11 3.68989019e-10] [-3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 4.40393875e-11] [-3.68989019e-10 3.68989019e-10 -4.40393875e-11] [-4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 -3.68989019e-10] [-3.68989019e-10 4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [-3.68989019e-10 3.68989019e-10 4.40393875e-11] [-4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [-4.40393875e-11 3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 4.40393875e-11 3.68989019e-10] [ 3.68989019e-10 3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [ 3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 4.40393875e-11 3.68989019e-10] [ 4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 3.68989019e-10] [ 3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [ 4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [ 3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [-3.68989019e-10 3.68989019e-10 4.40393875e-11] [-3.68989019e-10 4.40393875e-11 3.68989019e-10] [-4.40393875e-11 3.68989019e-10 3.68989019e-10] [-3.68989019e-10 -3.68989019e-10 -4.40393875e-11] [-4.40393875e-11 -3.68989019e-10 -3.68989019e-10] [-3.68989019e-10 -4.40393875e-11 -3.68989019e-10] [ 3.68989019e-10 3.68989019e-10 4.40393875e-11] [ 3.68989019e-10 4.40393875e-11 3.68989019e-10] [ 4.40393875e-11 3.68989019e-10 3.68989019e-10]] stress = [ 2.75538496e-12 2.75538496e-12 2.75538496e-12 -6.71379526e-28 -3.52887542e-34 8.50893280e-50] energy per atom = -4.217950482831437 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0