element(s): ['Al', 'Mg'] AFLOW prototype label: A67B41_cP108_221_aeh2il_cfgm Parameter names: ['a', 'x3', 'x4', 'x5', 'x6', 'y7', 'y8', 'y9', 'z9', 'x10', 'z10'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['12.6683', '0.66789393', '0.6769566', '0.66911045', '0.16528577', '0.66515378', '0.83948894', '0.839681', '0.66969755', '0.8391166', '0.66583874'] model name: Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg'] representative atom coordinates = [[0. 0. 0. ] [0.66789393 0. 0. ] [0.16528577 0.5 0. ] [0. 0.66515378 0.66515378] [0. 0.83948894 0.83948894] [0.5 0.839681 0.66969755] [0. 0.5 0.5 ] [0.6769566 0.5 0.5 ] [0.66911045 0.66911045 0.66911045] [0.8391166 0.8391166 0.66583874]] spacegroup = 221 cell = [[12.6683, 0, 0], [0, 12.6683, 0], [0, 0, 12.6683]] ========================================= Step Time Energy fmax BFGS: 0 16:58:18 -277.298378 0.5564 BFGS: 1 16:58:19 -277.473495 0.5217 BFGS: 2 16:58:19 -278.251797 0.4657 BFGS: 3 16:58:20 -278.685485 0.6582 BFGS: 4 16:58:20 -278.903071 0.9405 BFGS: 5 16:58:20 -279.229147 0.8450 BFGS: 6 16:58:20 -280.142875 0.5634 BFGS: 7 16:58:21 -280.573050 0.4573 BFGS: 8 16:58:21 -280.644311 0.4515 BFGS: 9 16:58:22 -280.993375 0.8276 BFGS: 10 16:58:23 -281.355785 1.4495 BFGS: 11 16:58:23 -281.628685 1.7977 BFGS: 12 16:58:23 -281.859302 1.6193 BFGS: 13 16:58:24 -282.135889 1.4291 BFGS: 14 16:58:24 -282.488882 1.3508 BFGS: 15 16:58:25 -282.692458 1.2320 BFGS: 16 16:58:25 -282.841596 1.1662 BFGS: 17 16:58:25 -282.944741 1.0952 BFGS: 18 16:58:25 -283.037327 1.0384 BFGS: 19 16:58:26 -283.129204 0.9830 BFGS: 20 16:58:26 -283.222322 0.9300 BFGS: 21 16:58:26 -283.315167 0.8781 BFGS: 22 16:58:26 -283.405929 0.8273 BFGS: 23 16:58:26 -283.492812 0.7779 BFGS: 24 16:58:26 -283.574260 0.7300 BFGS: 25 16:58:26 -283.649105 0.6839 BFGS: 26 16:58:26 -283.716740 0.6397 BFGS: 27 16:58:26 -283.777189 0.5975 BFGS: 28 16:58:27 -283.831113 0.5572 BFGS: 29 16:58:27 -283.879645 0.5188 BFGS: 30 16:58:27 -283.924170 0.4822 BFGS: 31 16:58:27 -283.966074 0.4470 BFGS: 32 16:58:27 -284.006564 0.4129 BFGS: 33 16:58:27 -284.046571 0.3798 BFGS: 34 16:58:27 -284.086739 0.3472 BFGS: 35 16:58:27 -284.127463 0.3149 BFGS: 36 16:58:27 -284.168943 0.2827 BFGS: 37 16:58:27 -284.211240 0.2660 BFGS: 38 16:58:27 -284.254312 0.2817 BFGS: 39 16:58:28 -284.298043 0.2928 BFGS: 40 16:58:28 -284.342261 0.2996 BFGS: 41 16:58:28 -284.386746 0.3022 BFGS: 42 16:58:28 -284.431240 0.3008 BFGS: 43 16:58:28 -284.475447 0.2954 BFGS: 44 16:58:28 -284.519033 0.2861 BFGS: 45 16:58:28 -284.561622 0.2728 BFGS: 46 16:58:28 -284.602790 0.2553 BFGS: 47 16:58:28 -284.642056 0.2336 BFGS: 48 16:58:28 -284.678861 0.2071 BFGS: 49 16:58:28 -284.712549 0.1826 BFGS: 50 16:58:28 -284.742304 0.2195 BFGS: 51 16:58:29 -284.767049 0.2546 BFGS: 52 16:58:29 -284.785130 0.2858 BFGS: 53 16:58:29 -284.792197 0.2883 BFGS: 54 16:58:29 -284.797894 0.2691 BFGS: 55 16:58:29 -284.803567 0.2250 BFGS: 56 16:58:29 -284.805392 0.1992 BFGS: 57 16:58:30 -284.806118 0.1904 BFGS: 58 16:58:30 -284.806712 0.1890 BFGS: 59 16:58:30 -284.807354 0.1934 BFGS: 60 16:58:30 -284.807746 0.2000 BFGS: 61 16:58:30 -284.807933 0.2045 BFGS: 62 16:58:30 -284.808041 0.2073 BFGS: 63 16:58:31 -284.808133 0.2092 BFGS: 64 16:58:31 -284.808260 0.2103 BFGS: 65 16:58:31 -284.808440 0.2097 BFGS: 66 16:58:31 -284.808590 0.2068 BFGS: 67 16:58:31 -284.808661 0.2036 BFGS: 68 16:58:31 -284.808689 0.2019 BFGS: 69 16:58:31 -284.808709 0.2007 BFGS: 70 16:58:31 -284.808727 0.2000 BFGS: 71 16:58:32 -284.808747 0.1998 BFGS: 72 16:58:32 -284.808766 0.2002 BFGS: 73 16:58:32 -284.808781 0.2009 BFGS: 74 16:58:32 -284.808791 0.2016 BFGS: 75 16:58:32 -284.808798 0.2019 BFGS: 76 16:58:32 -284.808804 0.2018 BFGS: 77 16:58:32 -284.808811 0.2015 BFGS: 78 16:58:32 -284.808820 0.2008 BFGS: 79 16:58:32 -284.808831 0.1999 BFGS: 80 16:58:32 -284.808841 0.1992 BFGS: 81 16:58:32 -284.808846 0.1990 BFGS: 82 16:58:33 -284.808849 0.1990 BFGS: 83 16:58:33 -284.808851 0.1991 BFGS: 84 16:58:33 -284.808853 0.1989 BFGS: 85 16:58:33 -284.808856 0.1985 BFGS: 86 16:58:33 -284.808857 0.1982 BFGS: 87 16:58:33 -284.808858 0.1979 BFGS: 88 16:58:33 -284.808858 0.1978 BFGS: 89 16:58:33 -284.808858 0.1978 BFGS: 90 16:58:34 -284.808858 0.1977 BFGS: 91 16:58:34 -284.808858 0.1977 BFGS: 92 16:58:34 -284.808858 0.1977 BFGS: 93 16:58:34 -284.808858 0.1977 BFGS: 94 16:58:34 -284.808858 0.1976 BFGS: 95 16:58:34 -284.808858 0.1976 BFGS: 96 16:58:34 -284.808858 0.1976 BFGS: 97 16:58:34 -284.808859 0.1975 BFGS: 98 16:58:34 -284.808860 0.1973 BFGS: 99 16:58:34 -284.808863 0.1971 BFGS: 100 16:58:35 -284.808872 0.1966 BFGS: 101 16:58:35 -284.808894 0.1959 BFGS: 102 16:58:35 -284.808953 0.1946 BFGS: 103 16:58:35 -284.809105 0.1923 BFGS: 104 16:58:35 -284.809500 0.1878 BFGS: 105 16:58:35 -284.810513 0.1790 BFGS: 106 16:58:36 -284.813018 0.1612 BFGS: 107 16:58:36 -284.818686 0.1263 BFGS: 108 16:58:36 -284.827321 0.0949 BFGS: 109 16:58:37 -284.834861 0.0908 BFGS: 110 16:58:37 -284.841527 0.0751 BFGS: 111 16:58:38 -284.846743 0.0507 BFGS: 112 16:58:38 -284.849713 0.0185 BFGS: 113 16:58:38 -284.850067 0.0038 BFGS: 114 16:58:38 -284.850079 0.0015 BFGS: 115 16:58:38 -284.850081 0.0000 BFGS: 116 16:58:39 -284.850081 0.0000 BFGS: 117 16:58:39 -284.850081 0.0000 BFGS: 118 16:58:39 -284.850081 0.0000 BFGS: 119 16:58:40 -284.850081 0.0000 BFGS: 120 16:58:40 -284.850081 0.0000 Minimization converged after 120 steps. Maximum force component: 3.139255406077277e-09 eV/Angstrom Maximum stress component: 9.60044917514527e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.72010254e-01 0.00000000e+00 0.00000000e+00] [3.27989746e-01 9.36687431e-36 5.56311512e-33] [0.00000000e+00 6.72010254e-01 0.00000000e+00] [5.78365662e-33 3.27989746e-01 6.97261647e-34] [0.00000000e+00 0.00000000e+00 6.72010254e-01] [7.61162293e-34 5.90076213e-33 3.27989746e-01] [1.59765914e-01 5.00000000e-01 6.67590939e-35] [8.40234086e-01 5.00000000e-01 0.00000000e+00] [1.11862053e-35 1.59765914e-01 5.00000000e-01] [0.00000000e+00 8.40234086e-01 5.00000000e-01] [5.00000000e-01 2.03986120e-35 1.59765914e-01] [5.00000000e-01 1.48353542e-35 8.40234086e-01] [5.00000000e-01 1.59765914e-01 1.85441928e-35] [5.00000000e-01 8.40234086e-01 0.00000000e+00] [1.59765914e-01 2.96707084e-35 5.00000000e-01] [8.40234086e-01 1.03847479e-34 5.00000000e-01] [4.09717941e-36 5.00000000e-01 8.40234086e-01] [0.00000000e+00 5.00000000e-01 1.59765914e-01] [5.99536613e-36 6.60989586e-01 6.60989586e-01] [6.47717353e-36 3.39010414e-01 6.60989586e-01] [0.00000000e+00 6.60989586e-01 3.39010414e-01] [0.00000000e+00 3.39010414e-01 3.39010414e-01] [6.60989586e-01 1.55771219e-34 6.60989586e-01] [6.60989586e-01 0.00000000e+00 3.39010414e-01] [3.39010414e-01 9.64298023e-35 6.60989586e-01] [3.39010414e-01 3.70883855e-35 3.39010414e-01] [6.60989586e-01 6.60989586e-01 2.22530313e-35] [3.39010414e-01 6.60989586e-01 0.00000000e+00] [6.60989586e-01 3.39010414e-01 0.00000000e+00] [3.39010414e-01 3.39010414e-01 0.00000000e+00] [3.72934545e-36 8.49381463e-01 8.49381463e-01] [0.00000000e+00 1.50618537e-01 8.49381463e-01] [3.23712451e-36 8.49381463e-01 1.50618537e-01] [2.78265591e-36 1.50618537e-01 1.50618537e-01] [8.49381463e-01 1.48353542e-34 8.49381463e-01] [8.49381463e-01 0.00000000e+00 1.50618537e-01] [1.50618537e-01 8.90121252e-35 8.49381463e-01] [1.50618537e-01 3.70883855e-35 1.50618537e-01] [8.49381463e-01 8.49381463e-01 1.03847479e-34] [1.50618537e-01 8.49381463e-01 1.48353542e-34] [8.49381463e-01 1.50618537e-01 0.00000000e+00] [1.50618537e-01 1.50618537e-01 9.27209638e-36] [5.00000000e-01 8.46943336e-01 6.83526271e-01] [5.00000000e-01 1.53056664e-01 6.83526271e-01] [5.00000000e-01 8.46943336e-01 3.16473729e-01] [5.00000000e-01 1.53056664e-01 3.16473729e-01] [6.83526271e-01 5.00000000e-01 8.46943336e-01] [6.83526271e-01 5.00000000e-01 1.53056664e-01] [3.16473729e-01 5.00000000e-01 8.46943336e-01] [3.16473729e-01 5.00000000e-01 1.53056664e-01] [8.46943336e-01 6.83526271e-01 5.00000000e-01] [1.53056664e-01 6.83526271e-01 5.00000000e-01] [8.46943336e-01 3.16473729e-01 5.00000000e-01] [1.53056664e-01 3.16473729e-01 5.00000000e-01] [8.46943336e-01 5.00000000e-01 3.16473729e-01] [1.53056664e-01 5.00000000e-01 3.16473729e-01] [8.46943336e-01 5.00000000e-01 6.83526271e-01] [1.53056664e-01 5.00000000e-01 6.83526271e-01] [5.00000000e-01 6.83526271e-01 1.53056664e-01] [5.00000000e-01 6.83526271e-01 8.46943336e-01] [5.00000000e-01 3.16473729e-01 1.53056664e-01] [5.00000000e-01 3.16473729e-01 8.46943336e-01] [6.83526271e-01 8.46943336e-01 5.00000000e-01] [6.83526271e-01 1.53056664e-01 5.00000000e-01] [3.16473729e-01 8.46943336e-01 5.00000000e-01] [3.16473729e-01 1.53056664e-01 5.00000000e-01] [3.16234595e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 8.90121252e-35 5.00000000e-01] [5.00000000e-01 5.00000000e-01 2.96707084e-35] [7.15252319e-01 5.00000000e-01 5.00000000e-01] [2.84747681e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.15252319e-01 5.00000000e-01] [5.00000000e-01 2.84747681e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.15252319e-01] [5.00000000e-01 5.00000000e-01 2.84747681e-01] [6.63203173e-01 6.63203173e-01 6.63203173e-01] [3.36796827e-01 3.36796827e-01 6.63203173e-01] [3.36796827e-01 6.63203173e-01 3.36796827e-01] [6.63203173e-01 3.36796827e-01 3.36796827e-01] [6.63203173e-01 6.63203173e-01 3.36796827e-01] [3.36796827e-01 3.36796827e-01 3.36796827e-01] [6.63203173e-01 3.36796827e-01 6.63203173e-01] [3.36796827e-01 6.63203173e-01 6.63203173e-01] [8.42919421e-01 8.42919421e-01 6.69734561e-01] [1.57080579e-01 1.57080579e-01 6.69734561e-01] [1.57080579e-01 8.42919421e-01 3.30265439e-01] [8.42919421e-01 1.57080579e-01 3.30265439e-01] [6.69734561e-01 8.42919421e-01 8.42919421e-01] [6.69734561e-01 1.57080579e-01 1.57080579e-01] [3.30265439e-01 1.57080579e-01 8.42919421e-01] [3.30265439e-01 8.42919421e-01 1.57080579e-01] [8.42919421e-01 6.69734561e-01 8.42919421e-01] [1.57080579e-01 6.69734561e-01 1.57080579e-01] [8.42919421e-01 3.30265439e-01 1.57080579e-01] [1.57080579e-01 3.30265439e-01 8.42919421e-01] [8.42919421e-01 8.42919421e-01 3.30265439e-01] [1.57080579e-01 1.57080579e-01 3.30265439e-01] [8.42919421e-01 1.57080579e-01 6.69734561e-01] [1.57080579e-01 8.42919421e-01 6.69734561e-01] [8.42919421e-01 6.69734561e-01 1.57080579e-01] [1.57080579e-01 6.69734561e-01 8.42919421e-01] [1.57080579e-01 3.30265439e-01 1.57080579e-01] [8.42919421e-01 3.30265439e-01 8.42919421e-01] [6.69734561e-01 8.42919421e-01 1.57080579e-01] [6.69734561e-01 1.57080579e-01 8.42919421e-01] [3.30265439e-01 8.42919421e-01 8.42919421e-01] [3.30265439e-01 1.57080579e-01 1.57080579e-01]] cellpar = Cell([[12.982028729330063, -1.1576771880983655e-31, 4.5677456704289176e-33], [2.1252202226350396e-32, 12.982028729330063, -1.0851631892348262e-18], [-7.136172266420282e-32, -1.0851631892349484e-18, 12.982028729330063]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.11815146e-09 2.78062304e-41 -1.09712612e-42] [ 3.11815146e-09 -2.78062304e-41 1.09712612e-42] [-5.10456314e-42 -3.11815146e-09 2.60645177e-28] [ 5.10456314e-42 3.11815146e-09 -2.60645177e-28] [ 1.71403611e-41 2.60645177e-28 -3.11815146e-09] [-1.71403611e-41 -2.60645177e-28 3.11815146e-09] [-1.45367628e-09 1.29632117e-41 -5.11478112e-43] [ 1.45367628e-09 -1.29632117e-41 5.11478112e-43] [-2.37973763e-42 -1.45367628e-09 1.21512286e-28] [ 2.37973763e-42 1.45367628e-09 -1.21512286e-28] [ 7.99080373e-42 1.21512286e-28 -1.45367628e-09] [-7.99080373e-42 -1.21512286e-28 1.45367628e-09] [-2.37973763e-42 -1.45367628e-09 1.21512286e-28] [ 2.37973763e-42 1.45367628e-09 -1.21512286e-28] [-1.45367628e-09 1.29632117e-41 -5.11478112e-43] [ 1.45367628e-09 -1.29632117e-41 5.11478112e-43] [-7.99080373e-42 -1.21512286e-28 1.45367628e-09] [ 7.99080373e-42 1.21512286e-28 -1.45367628e-09] [ 6.66732744e-33 -2.38568548e-09 -2.38568548e-09] [-6.66732741e-33 2.38568548e-09 -2.38568548e-09] [ 3.77641591e-33 -2.38568548e-09 2.38568548e-09] [-6.66732744e-33 2.38568548e-09 2.38568548e-09] [-2.38568548e-09 1.99418606e-28 -2.38568548e-09] [-2.38568548e-09 -1.99431940e-28 2.38568548e-09] [ 2.38568548e-09 1.99425273e-28 -2.38568548e-09] [ 2.38568548e-09 -1.99428607e-28 2.38568548e-09] [-2.38568548e-09 -2.38568548e-09 1.99411938e-28] [ 2.38568548e-09 -2.38568548e-09 1.99405271e-28] [-2.38568548e-09 2.38568548e-09 -1.99411938e-28] [ 2.38568548e-09 2.38568548e-09 -1.99428607e-28] [ 3.33366372e-32 8.29634543e-10 8.29634543e-10] [-6.66732744e-33 -8.29634543e-10 8.29634543e-10] [-6.66732743e-33 8.29634543e-10 -8.29634543e-10] [ 1.33346549e-32 -8.29634543e-10 -8.29634543e-10] [ 8.29634543e-10 -6.93221886e-29 8.29634543e-10] [ 8.29634543e-10 6.93488579e-29 -8.29634543e-10] [-8.29634543e-10 -6.93488579e-29 8.29634543e-10] [-8.29634543e-10 6.93621926e-29 -8.29634543e-10] [ 8.29634543e-10 8.29634543e-10 -6.93155213e-29] [-8.29634543e-10 8.29634543e-10 -6.93555253e-29] [ 8.29634543e-10 -8.29634543e-10 6.93355233e-29] [-8.29634543e-10 -8.29634543e-10 6.93821946e-29] [ 4.26708956e-31 9.46584179e-10 -2.02450236e-09] [ 1.06677239e-31 -9.46584179e-10 -2.02450236e-09] [ 2.13354478e-31 9.46584179e-10 2.02450236e-09] [-1.06677239e-31 -9.46584179e-10 2.02450236e-09] [-2.02450236e-09 -7.89112822e-29 9.46584179e-10] [-2.02450236e-09 7.93379911e-29 -9.46584179e-10] [ 2.02450236e-09 -7.93379911e-29 9.46584179e-10] [ 2.02450236e-09 7.90179594e-29 -9.46584179e-10] [ 9.46584179e-10 -2.02450236e-09 1.69654145e-28] [-9.46584179e-10 -2.02450236e-09 1.69334113e-28] [ 9.46584179e-10 2.02450236e-09 -1.69014081e-28] [-9.46584179e-10 2.02450236e-09 -1.69334113e-28] [ 9.46584179e-10 -1.69227436e-28 2.02450236e-09] [-9.46584179e-10 -1.69227436e-28 2.02450236e-09] [ 9.46584179e-10 1.69334113e-28 -2.02450236e-09] [-9.46584179e-10 1.69120759e-28 -2.02450236e-09] [-1.06677239e-31 -2.02450236e-09 -9.46584179e-10] [ 1.06677239e-31 -2.02450236e-09 9.46584179e-10] [ 8.51754479e-42 2.02450236e-09 -9.46584179e-10] [-1.88913032e-42 2.02450236e-09 9.46584179e-10] [-2.02450236e-09 9.46584179e-10 -7.90179594e-29] [-2.02450236e-09 -9.46584179e-10 7.90179594e-29] [ 2.02450236e-09 9.46584179e-10 -7.91246367e-29] [ 2.02450236e-09 -9.46584179e-10 7.91246367e-29] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 1.08527452e-09 -9.67797548e-42 -2.66693097e-32] [-1.08527452e-09 9.67797548e-42 -3.81855418e-43] [-2.66693097e-32 1.08527452e-09 -9.07043788e-29] [-1.77664632e-42 -1.08527452e-09 9.07310481e-29] [-5.96571315e-42 -9.07177134e-29 1.08527452e-09] [ 5.96571315e-42 9.07177134e-29 -1.08527452e-09] [-4.34612276e-10 -4.34612276e-10 -4.34612276e-10] [ 4.34612276e-10 4.34612276e-10 -4.34612276e-10] [ 4.34612276e-10 -4.34612276e-10 4.34612276e-10] [-4.34612276e-10 4.34612276e-10 4.34612276e-10] [-4.34612276e-10 -4.34612276e-10 4.34612276e-10] [ 4.34612276e-10 4.34612276e-10 4.34612276e-10] [-4.34612276e-10 4.34612276e-10 -4.34612276e-10] [ 4.34612276e-10 -4.34612276e-10 -4.34612276e-10] [ 8.74409871e-10 8.74409871e-10 3.13925541e-09] [-8.74409871e-10 -8.74409871e-10 3.13925541e-09] [-8.74409871e-10 8.74409871e-10 -3.13925541e-09] [ 8.74409871e-10 -8.74409871e-10 -3.13925541e-09] [ 3.13925541e-09 8.74409871e-10 8.74409871e-10] [ 3.13925541e-09 -8.74409871e-10 -8.74409871e-10] [-3.13925541e-09 -8.74409871e-10 8.74409871e-10] [-3.13925541e-09 8.74409871e-10 -8.74409871e-10] [ 8.74409871e-10 3.13925541e-09 8.74409871e-10] [-8.74409871e-10 3.13925541e-09 -8.74409871e-10] [ 8.74409871e-10 -3.13925541e-09 -8.74409871e-10] [-8.74409871e-10 -3.13925541e-09 8.74409871e-10] [ 8.74409871e-10 8.74409871e-10 -3.13925541e-09] [-8.74409871e-10 -8.74409871e-10 -3.13925541e-09] [ 8.74409871e-10 -8.74409871e-10 3.13925541e-09] [-8.74409871e-10 8.74409871e-10 3.13925541e-09] [ 8.74409871e-10 3.13925541e-09 -8.74409871e-10] [-8.74409871e-10 3.13925541e-09 8.74409871e-10] [-8.74409871e-10 -3.13925541e-09 -8.74409871e-10] [ 8.74409871e-10 -3.13925541e-09 8.74409871e-10] [ 3.13925541e-09 8.74409871e-10 -8.74409871e-10] [ 3.13925541e-09 -8.74409871e-10 8.74409871e-10] [-3.13925541e-09 8.74409871e-10 8.74409871e-10] [-3.13925541e-09 -8.74409871e-10 -8.74409871e-10]] stress = [-9.60044918e-12 -9.60044918e-12 -9.60044918e-12 1.82100527e-27 1.00933307e-58 2.01236475e-60] energy per atom = -2.6375007507682833 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0