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 16:40:22 -516.313902 5.5152 BFGS: 1 16:40:22 -530.227260 3.1527 BFGS: 2 16:40:23 -534.401677 2.9675 BFGS: 3 16:40:23 -537.145367 2.8440 BFGS: 4 16:40:24 -539.968752 2.7179 BFGS: 5 16:40:25 -542.801789 2.5921 BFGS: 6 16:40:26 -545.555859 2.4703 BFGS: 7 16:40:27 -548.133277 2.3564 BFGS: 8 16:40:27 -550.448744 2.5035 BFGS: 9 16:40:28 -552.453128 2.6191 BFGS: 10 16:40:28 -554.147314 2.6801 BFGS: 11 16:40:29 -555.576195 2.6896 BFGS: 12 16:40:30 -556.805563 2.6544 BFGS: 13 16:40:31 -557.897225 2.5828 BFGS: 14 16:40:31 -558.895697 2.4833 BFGS: 15 16:40:32 -559.827222 2.3631 BFGS: 16 16:40:32 -560.704489 2.2283 BFGS: 17 16:40:33 -561.531840 2.0837 BFGS: 18 16:40:33 -562.309293 1.9330 BFGS: 19 16:40:34 -563.035277 1.7795 BFGS: 20 16:40:34 -563.708311 1.6255 BFGS: 21 16:40:35 -564.327846 1.5156 BFGS: 22 16:40:35 -564.894509 1.4755 BFGS: 23 16:40:35 -565.409999 1.4374 BFGS: 24 16:40:36 -565.876842 1.4011 BFGS: 25 16:40:36 -566.298119 1.3666 BFGS: 26 16:40:37 -566.677242 1.3338 BFGS: 27 16:40:37 -567.017777 1.3025 BFGS: 28 16:40:38 -567.323313 1.2727 BFGS: 29 16:40:38 -567.597374 1.2442 BFGS: 30 16:40:39 -567.843354 1.2169 BFGS: 31 16:40:39 -568.064475 1.1907 BFGS: 32 16:40:40 -568.263756 1.1654 BFGS: 33 16:40:40 -568.443997 1.1409 BFGS: 34 16:40:41 -568.607766 1.1173 BFGS: 35 16:40:41 -568.757401 1.0943 BFGS: 36 16:40:42 -568.895002 1.0718 BFGS: 37 16:40:42 -569.022446 1.0499 BFGS: 38 16:40:43 -569.141387 1.0285 BFGS: 39 16:40:43 -569.253275 1.0074 BFGS: 40 16:40:44 -569.359366 0.9866 BFGS: 41 16:40:45 -569.460734 0.9662 BFGS: 42 16:40:45 -569.558294 0.9460 BFGS: 43 16:40:46 -569.652816 0.9260 BFGS: 44 16:40:46 -569.744942 0.9062 BFGS: 45 16:40:47 -569.835202 0.8866 BFGS: 46 16:40:47 -569.924031 0.8671 BFGS: 47 16:40:48 -570.011782 0.8477 BFGS: 48 16:40:48 -570.098740 0.8285 BFGS: 49 16:40:49 -570.185130 0.8093 BFGS: 50 16:40:49 -570.271131 0.7903 BFGS: 51 16:40:50 -570.356881 0.7713 BFGS: 52 16:40:51 -570.442484 0.7524 BFGS: 53 16:40:51 -570.528018 0.7472 BFGS: 54 16:40:52 -570.613536 0.7582 BFGS: 55 16:40:52 -570.699074 0.7675 BFGS: 56 16:40:53 -570.784649 0.7753 BFGS: 57 16:40:53 -570.870268 0.7815 BFGS: 58 16:40:54 -570.955924 0.7864 BFGS: 59 16:40:54 -571.041602 0.7898 BFGS: 60 16:40:55 -571.127278 0.7920 BFGS: 61 16:40:56 -571.212920 0.7929 BFGS: 62 16:40:57 -571.298491 0.7926 BFGS: 63 16:40:57 -571.383947 0.7911 BFGS: 64 16:40:58 -571.469239 0.7885 BFGS: 65 16:40:59 -571.554315 0.7848 BFGS: 66 16:40:59 -571.639116 0.7801 BFGS: 67 16:41:00 -571.723580 0.7743 BFGS: 68 16:41:00 -571.807642 0.7675 BFGS: 69 16:41:01 -571.891231 0.7597 BFGS: 70 16:41:01 -571.974273 0.7510 BFGS: 71 16:41:02 -572.056692 0.7413 BFGS: 72 16:41:03 -572.138405 0.7307 BFGS: 73 16:41:03 -572.219327 0.7191 BFGS: 74 16:41:04 -572.299369 0.7067 BFGS: 75 16:41:04 -572.378439 0.6933 BFGS: 76 16:41:05 -572.456438 0.6791 BFGS: 77 16:41:06 -572.533266 0.6639 BFGS: 78 16:41:06 -572.608815 0.6479 BFGS: 79 16:41:07 -572.682976 0.6310 BFGS: 80 16:41:08 -572.755631 0.6131 BFGS: 81 16:41:08 -572.826661 0.5944 BFGS: 82 16:41:09 -572.895939 0.5748 BFGS: 83 16:41:09 -572.963330 0.5542 BFGS: 84 16:41:10 -573.028698 0.5327 BFGS: 85 16:41:10 -573.091894 0.5103 BFGS: 86 16:41:11 -573.152765 0.4868 BFGS: 87 16:41:11 -573.211147 0.4624 BFGS: 88 16:41:12 -573.266869 0.4369 BFGS: 89 16:41:12 -573.319746 0.4102 BFGS: 90 16:41:13 -573.369582 0.3824 BFGS: 91 16:41:13 -573.416164 0.3534 BFGS: 92 16:41:14 -573.459261 0.3229 BFGS: 93 16:41:14 -573.498617 0.2910 BFGS: 94 16:41:15 -573.533945 0.2574 BFGS: 95 16:41:15 -573.564915 0.2218 BFGS: 96 16:41:16 -573.591130 0.1837 BFGS: 97 16:41:17 -573.612087 0.1425 BFGS: 98 16:41:18 -573.627072 0.0964 BFGS: 99 16:41:18 -573.634758 0.0401 BFGS: 100 16:41:19 -573.635928 0.0302 BFGS: 101 16:41:20 -573.639165 0.0200 BFGS: 102 16:41:20 -573.640758 0.0093 BFGS: 103 16:41:21 -573.641233 0.0045 BFGS: 104 16:41:21 -573.641263 0.0015 BFGS: 105 16:41:22 -573.641265 0.0009 BFGS: 106 16:41:23 -573.641265 0.0005 BFGS: 107 16:41:24 -573.641266 0.0002 BFGS: 108 16:41:25 -573.641266 0.0001 BFGS: 109 16:41:25 -573.641266 0.0001 BFGS: 110 16:41:25 -573.641266 0.0000 BFGS: 111 16:41:26 -573.641266 0.0000 BFGS: 112 16:41:27 -573.641266 0.0000 BFGS: 113 16:41:27 -573.641266 0.0000 BFGS: 114 16:41:28 -573.641266 0.0000 BFGS: 115 16:41:28 -573.641266 0.0000 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