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 16:02:50 -516.313902 5.515246 BFGS: 1 16:02:51 -530.227260 3.152657 BFGS: 2 16:02:52 -534.401677 2.967474 BFGS: 3 16:02:53 -537.145367 2.843963 BFGS: 4 16:02:54 -539.968752 2.717928 BFGS: 5 16:02:55 -542.801789 2.592136 BFGS: 6 16:02:56 -545.555859 2.470292 BFGS: 7 16:02:58 -548.133277 2.356356 BFGS: 8 16:02:59 -550.448744 2.503516 BFGS: 9 16:03:00 -552.453128 2.619132 BFGS: 10 16:03:02 -554.147314 2.680081 BFGS: 11 16:03:03 -555.576195 2.689604 BFGS: 12 16:03:05 -556.805563 2.654364 BFGS: 13 16:03:07 -557.897225 2.582799 BFGS: 14 16:03:09 -558.895697 2.483277 BFGS: 15 16:03:10 -559.827222 2.363130 BFGS: 16 16:03:11 -560.704489 2.228335 BFGS: 17 16:03:13 -561.531840 2.083681 BFGS: 18 16:03:14 -562.309293 1.933021 BFGS: 19 16:03:15 -563.035277 1.779471 BFGS: 20 16:03:16 -563.708311 1.625536 BFGS: 21 16:03:17 -564.327846 1.515630 BFGS: 22 16:03:18 -564.894509 1.475532 BFGS: 23 16:03:18 -565.409999 1.437374 BFGS: 24 16:03:19 -565.876842 1.401095 BFGS: 25 16:03:20 -566.298119 1.366605 BFGS: 26 16:03:21 -566.677242 1.333793 BFGS: 27 16:03:22 -567.017777 1.302542 BFGS: 28 16:03:23 -567.323313 1.272726 BFGS: 29 16:03:24 -567.597374 1.244222 BFGS: 30 16:03:24 -567.843354 1.216907 BFGS: 31 16:03:25 -568.064475 1.190662 BFGS: 32 16:03:26 -568.263756 1.165376 BFGS: 33 16:03:27 -568.443997 1.140944 BFGS: 34 16:03:28 -568.607766 1.117268 BFGS: 35 16:03:29 -568.757401 1.094259 BFGS: 36 16:03:31 -568.895002 1.071834 BFGS: 37 16:03:32 -569.022446 1.049922 BFGS: 38 16:03:33 -569.141387 1.028454 BFGS: 39 16:03:34 -569.253275 1.007374 BFGS: 40 16:03:36 -569.359366 0.986629 BFGS: 41 16:03:37 -569.460734 0.966175 BFGS: 42 16:03:38 -569.558294 0.945972 BFGS: 43 16:03:40 -569.652816 0.925986 BFGS: 44 16:03:41 -569.744942 0.906190 BFGS: 45 16:03:42 -569.835202 0.886559 BFGS: 46 16:03:43 -569.924031 0.867071 BFGS: 47 16:03:44 -570.011782 0.847711 BFGS: 48 16:03:44 -570.098740 0.828463 BFGS: 49 16:03:45 -570.185130 0.809315 BFGS: 50 16:03:46 -570.271131 0.790258 BFGS: 51 16:03:47 -570.356881 0.771283 BFGS: 52 16:03:48 -570.442484 0.752384 BFGS: 53 16:03:49 -570.528018 0.747168 BFGS: 54 16:03:51 -570.613536 0.758157 BFGS: 55 16:03:52 -570.699074 0.767492 BFGS: 56 16:03:53 -570.784649 0.775254 BFGS: 57 16:03:55 -570.870268 0.781520 BFGS: 58 16:03:58 -570.955924 0.786357 BFGS: 59 16:03:59 -571.041602 0.789830 BFGS: 60 16:04:00 -571.127278 0.791995 BFGS: 61 16:04:01 -571.212920 0.792904 BFGS: 62 16:04:03 -571.298491 0.792603 BFGS: 63 16:04:05 -571.383947 0.791135 BFGS: 64 16:04:07 -571.469239 0.788539 BFGS: 65 16:04:09 -571.554315 0.784849 BFGS: 66 16:04:12 -571.639116 0.780097 BFGS: 67 16:04:14 -571.723580 0.774312 BFGS: 68 16:04:16 -571.807642 0.767518 BFGS: 69 16:04:18 -571.891231 0.759739 BFGS: 70 16:04:20 -571.974273 0.750994 BFGS: 71 16:04:23 -572.056692 0.741301 BFGS: 72 16:04:24 -572.138405 0.730674 BFGS: 73 16:04:28 -572.219327 0.719127 BFGS: 74 16:04:31 -572.299369 0.706670 BFGS: 75 16:04:33 -572.378439 0.693312 BFGS: 76 16:04:36 -572.456438 0.679058 BFGS: 77 16:04:37 -572.533266 0.663912 BFGS: 78 16:04:39 -572.608815 0.647877 BFGS: 79 16:04:41 -572.682976 0.630950 BFGS: 80 16:04:43 -572.755631 0.613129 BFGS: 81 16:04:44 -572.826661 0.594407 BFGS: 82 16:04:47 -572.895939 0.574776 BFGS: 83 16:04:48 -572.963330 0.554222 BFGS: 84 16:04:50 -573.028698 0.532728 BFGS: 85 16:04:51 -573.091894 0.510275 BFGS: 86 16:04:54 -573.152765 0.486836 BFGS: 87 16:04:57 -573.211147 0.462378 BFGS: 88 16:04:59 -573.266869 0.436859 BFGS: 89 16:05:00 -573.319746 0.410231 BFGS: 90 16:05:03 -573.369582 0.382428 BFGS: 91 16:05:06 -573.416164 0.353368 BFGS: 92 16:05:08 -573.459261 0.322947 BFGS: 93 16:05:09 -573.498617 0.291020 BFGS: 94 16:05:10 -573.533945 0.257393 BFGS: 95 16:05:11 -573.564915 0.221780 BFGS: 96 16:05:12 -573.591130 0.183736 BFGS: 97 16:05:14 -573.612087 0.142485 BFGS: 98 16:05:15 -573.627072 0.096389 BFGS: 99 16:05:16 -573.634758 0.040150 BFGS: 100 16:05:18 -573.635928 0.030228 BFGS: 101 16:05:20 -573.639165 0.019957 BFGS: 102 16:05:21 -573.640758 0.009314 BFGS: 103 16:05:22 -573.641233 0.004468 BFGS: 104 16:05:24 -573.641263 0.001522 BFGS: 105 16:05:25 -573.641265 0.000900 BFGS: 106 16:05:26 -573.641265 0.000467 BFGS: 107 16:05:29 -573.641266 0.000165 BFGS: 108 16:05:31 -573.641266 0.000102 BFGS: 109 16:05:34 -573.641266 0.000065 BFGS: 110 16:05:37 -573.641266 0.000038 BFGS: 111 16:05:39 -573.641266 0.000010 BFGS: 112 16:05:42 -573.641266 0.000002 BFGS: 113 16:05:44 -573.641266 0.000000 BFGS: 114 16:05:45 -573.641266 0.000000 BFGS: 115 16:05:46 -573.641266 0.000000 Minimization converged after 115 steps. Maximum force component: 4.5306962059380885e-10 eV/Angstrom Maximum stress component: 2.755361260237419e-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 1.60891474e-32 8.28578705e-34] [6.63701333e-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] [9.06461020e-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, -4.2116712273369137e-32, -7.650357416636656e-32], [1.1396007639950617e-32, 15.259715501133993, -5.36913356305214e-18], [-1.884057979777924e-31, -5.369133563052221e-18, 15.259715501133993]]) forces = [[-3.76181031e-31 1.50472412e-30 -3.13484192e-32] [ 2.50787354e-30 4.67091447e-30 1.12854309e-30] [-1.48904991e-31 -4.07529450e-30 -1.25393677e-31] [ 4.16346193e-30 -4.63956605e-30 1.63011780e-30] [ 1.50472412e-30 3.76181031e-30 1.81820832e-30] [-1.00314942e-30 -7.05916594e-49 2.00629883e-30] [ 7.52362061e-31 -3.38562928e-30 1.19123425e-48] [-3.12243197e-62 1.72416306e-30 2.63326722e-30] [-4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 -4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [-4.53069621e-10 4.53069621e-10 4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [-4.53069621e-10 4.53069621e-10 4.53069621e-10] [-4.53069621e-10 -4.53069621e-10 -4.53069621e-10] [ 4.53069621e-10 4.53069621e-10 4.53069621e-10] [-3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 4.40364137e-11] [-4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [-4.40364137e-11 3.69001463e-10 3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 3.69001463e-10] [-3.69001463e-10 4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [-3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 4.40364137e-11 3.69001463e-10] [-3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [ 4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [-4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 -3.69001463e-10] [-3.69001463e-10 4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 4.40364137e-11] [-4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 -4.40364137e-11] [-3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 4.40364137e-11 3.69001463e-10] [-3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 4.40364137e-11] [-3.69001463e-10 3.69001463e-10 -4.40364137e-11] [-4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 -3.69001463e-10] [-3.69001463e-10 4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [-3.69001463e-10 3.69001463e-10 4.40364137e-11] [-4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [-4.40364137e-11 3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 4.40364137e-11 3.69001463e-10] [ 3.69001463e-10 3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [ 3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 4.40364137e-11 3.69001463e-10] [ 4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 3.69001463e-10] [ 3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [ 4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [ 3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [-3.69001463e-10 3.69001463e-10 4.40364137e-11] [-3.69001463e-10 4.40364137e-11 3.69001463e-10] [-4.40364137e-11 3.69001463e-10 3.69001463e-10] [-3.69001463e-10 -3.69001463e-10 -4.40364137e-11] [-4.40364137e-11 -3.69001463e-10 -3.69001463e-10] [-3.69001463e-10 -4.40364137e-11 -3.69001463e-10] [ 3.69001463e-10 3.69001463e-10 4.40364137e-11] [ 3.69001463e-10 4.40364137e-11 3.69001463e-10] [ 4.40364137e-11 3.69001463e-10 3.69001463e-10]] stress = [ 2.75536126e-12 2.75536126e-12 2.75536126e-12 -4.16850131e-28 -2.99770479e-59 -1.51298945e-60] energy per atom = -4.217950482831441 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0