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: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 ==== 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 16:58:51 -277.298378 0.5564 BFGS: 1 16:58:51 -277.473495 0.5217 BFGS: 2 16:58:51 -278.251797 0.4657 BFGS: 3 16:58:51 -278.685485 0.6582 BFGS: 4 16:58:51 -278.903071 0.9405 BFGS: 5 16:58:52 -279.229147 0.8450 BFGS: 6 16:58:52 -280.142875 0.5634 BFGS: 7 16:58:52 -280.573050 0.4573 BFGS: 8 16:58:52 -280.644311 0.4515 BFGS: 9 16:58:52 -280.993375 0.8276 BFGS: 10 16:58:52 -281.355785 1.4495 BFGS: 11 16:58:52 -281.628685 1.7977 BFGS: 12 16:58:53 -281.859302 1.6193 BFGS: 13 16:58:53 -282.135890 1.4291 BFGS: 14 16:58:53 -282.488883 1.3508 BFGS: 15 16:58:53 -282.692458 1.2320 BFGS: 16 16:58:53 -282.841596 1.1662 BFGS: 17 16:58:53 -282.944739 1.0952 BFGS: 18 16:58:54 -283.037326 1.0384 BFGS: 19 16:58:54 -283.129202 0.9830 BFGS: 20 16:58:54 -283.222319 0.9300 BFGS: 21 16:58:54 -283.315164 0.8781 BFGS: 22 16:58:54 -283.405925 0.8273 BFGS: 23 16:58:54 -283.492808 0.7779 BFGS: 24 16:58:54 -283.574255 0.7301 BFGS: 25 16:58:55 -283.649099 0.6839 BFGS: 26 16:58:55 -283.716734 0.6397 BFGS: 27 16:58:55 -283.777183 0.5975 BFGS: 28 16:58:55 -283.831105 0.5572 BFGS: 29 16:58:55 -283.879638 0.5189 BFGS: 30 16:58:55 -283.924162 0.4822 BFGS: 31 16:58:56 -283.966065 0.4470 BFGS: 32 16:58:56 -284.006555 0.4130 BFGS: 33 16:58:56 -284.046562 0.3798 BFGS: 34 16:58:56 -284.086730 0.3472 BFGS: 35 16:58:56 -284.127453 0.3149 BFGS: 36 16:58:56 -284.168933 0.2827 BFGS: 37 16:58:57 -284.211230 0.2660 BFGS: 38 16:58:57 -284.254303 0.2817 BFGS: 39 16:58:57 -284.298034 0.2928 BFGS: 40 16:58:57 -284.342251 0.2996 BFGS: 41 16:58:57 -284.386736 0.3022 BFGS: 42 16:58:58 -284.431231 0.3008 BFGS: 43 16:58:58 -284.475438 0.2954 BFGS: 44 16:58:58 -284.519023 0.2861 BFGS: 45 16:58:58 -284.561612 0.2728 BFGS: 46 16:58:59 -284.602781 0.2553 BFGS: 47 16:58:59 -284.642047 0.2336 BFGS: 48 16:58:59 -284.678853 0.2072 BFGS: 49 16:58:59 -284.712542 0.1826 BFGS: 50 16:58:59 -284.742299 0.2194 BFGS: 51 16:59:00 -284.767046 0.2546 BFGS: 52 16:59:00 -284.785130 0.2858 BFGS: 53 16:59:00 -284.792201 0.2883 BFGS: 54 16:59:01 -284.797896 0.2691 BFGS: 55 16:59:01 -284.803572 0.2250 BFGS: 56 16:59:02 -284.805399 0.1992 BFGS: 57 16:59:02 -284.806124 0.1903 BFGS: 58 16:59:02 -284.806719 0.1890 BFGS: 59 16:59:03 -284.807360 0.1933 BFGS: 60 16:59:03 -284.807752 0.2000 BFGS: 61 16:59:03 -284.807939 0.2045 BFGS: 62 16:59:04 -284.808047 0.2073 BFGS: 63 16:59:04 -284.808139 0.2092 BFGS: 64 16:59:04 -284.808266 0.2103 BFGS: 65 16:59:04 -284.808446 0.2097 BFGS: 66 16:59:04 -284.808596 0.2068 BFGS: 67 16:59:05 -284.808667 0.2036 BFGS: 68 16:59:05 -284.808695 0.2019 BFGS: 69 16:59:05 -284.808715 0.2007 BFGS: 70 16:59:05 -284.808733 0.2000 BFGS: 71 16:59:05 -284.808753 0.1998 BFGS: 72 16:59:06 -284.808772 0.2002 BFGS: 73 16:59:06 -284.808787 0.2009 BFGS: 74 16:59:06 -284.808797 0.2016 BFGS: 75 16:59:06 -284.808804 0.2019 BFGS: 76 16:59:07 -284.808810 0.2018 BFGS: 77 16:59:07 -284.808817 0.2015 BFGS: 78 16:59:07 -284.808826 0.2008 BFGS: 79 16:59:08 -284.808837 0.1999 BFGS: 80 16:59:08 -284.808847 0.1992 BFGS: 81 16:59:08 -284.808852 0.1990 BFGS: 82 16:59:08 -284.808855 0.1990 BFGS: 83 16:59:08 -284.808857 0.1991 BFGS: 84 16:59:09 -284.808859 0.1989 BFGS: 85 16:59:09 -284.808862 0.1985 BFGS: 86 16:59:09 -284.808863 0.1981 BFGS: 87 16:59:09 -284.808864 0.1979 BFGS: 88 16:59:09 -284.808864 0.1978 BFGS: 89 16:59:10 -284.808864 0.1977 BFGS: 90 16:59:10 -284.808864 0.1977 BFGS: 91 16:59:10 -284.808864 0.1977 BFGS: 92 16:59:10 -284.808864 0.1977 BFGS: 93 16:59:11 -284.808864 0.1977 BFGS: 94 16:59:11 -284.808864 0.1976 BFGS: 95 16:59:11 -284.808864 0.1976 BFGS: 96 16:59:11 -284.808864 0.1975 BFGS: 97 16:59:12 -284.808865 0.1975 BFGS: 98 16:59:12 -284.808866 0.1973 BFGS: 99 16:59:12 -284.808869 0.1970 BFGS: 100 16:59:12 -284.808878 0.1966 BFGS: 101 16:59:13 -284.808900 0.1959 BFGS: 102 16:59:13 -284.808957 0.1946 BFGS: 103 16:59:13 -284.809108 0.1923 BFGS: 104 16:59:13 -284.809498 0.1879 BFGS: 105 16:59:14 -284.810497 0.1792 BFGS: 106 16:59:14 -284.812970 0.1615 BFGS: 107 16:59:14 -284.818576 0.1269 BFGS: 108 16:59:14 -284.827228 0.0949 BFGS: 109 16:59:14 -284.834772 0.0911 BFGS: 110 16:59:15 -284.841452 0.0754 BFGS: 111 16:59:15 -284.846692 0.0511 BFGS: 112 16:59:15 -284.849695 0.0189 BFGS: 113 16:59:15 -284.850066 0.0039 BFGS: 114 16:59:15 -284.850079 0.0015 BFGS: 115 16:59:15 -284.850081 0.0000 BFGS: 116 16:59:15 -284.850081 0.0000 BFGS: 117 16:59:16 -284.850081 0.0000 BFGS: 118 16:59:16 -284.850081 0.0000 BFGS: 119 16:59:16 -284.850081 0.0000 BFGS: 120 16:59:16 -284.850081 0.0000 Minimization converged after 120 steps. Maximum force component: 3.1413823879587352e-09 eV/Angstrom Maximum stress component: 8.667357929647385e-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 2.23838627e-33 8.90045455e-34] [0.00000000e+00 6.72010254e-01 0.00000000e+00] [1.91692187e-33 3.27989746e-01 2.37365667e-33] [0.00000000e+00 0.00000000e+00 6.72010254e-01] [1.88333666e-33 2.22530313e-33 3.27989746e-01] [1.59765914e-01 5.00000000e-01 0.00000000e+00] [8.40234086e-01 5.00000000e-01 1.78024250e-34] [0.00000000e+00 1.59765914e-01 5.00000000e-01] [0.00000000e+00 8.40234086e-01 5.00000000e-01] [5.00000000e-01 5.93414168e-35 1.59765914e-01] [5.00000000e-01 0.00000000e+00 8.40234086e-01] [5.00000000e-01 1.59765914e-01 1.03847479e-34] [5.00000000e-01 8.40234086e-01 2.96707084e-34] [1.59765914e-01 0.00000000e+00 5.00000000e-01] [8.40234086e-01 0.00000000e+00 5.00000000e-01] [0.00000000e+00 5.00000000e-01 8.40234086e-01] [0.00000000e+00 5.00000000e-01 1.59765914e-01] [7.22182852e-36 6.60989586e-01 6.60989586e-01] [1.93266038e-36 3.39010414e-01 6.60989586e-01] [3.72400171e-37 6.60989586e-01 3.39010414e-01] [0.00000000e+00 3.39010414e-01 3.39010414e-01] [6.60989586e-01 0.00000000e+00 6.60989586e-01] [6.60989586e-01 5.93414168e-35 3.39010414e-01] [3.39010414e-01 0.00000000e+00 6.60989586e-01] [3.39010414e-01 1.18682834e-34 3.39010414e-01] [6.60989586e-01 6.60989586e-01 0.00000000e+00] [3.39010414e-01 6.60989586e-01 1.18682834e-34] [6.60989586e-01 3.39010414e-01 8.90121252e-35] [3.39010414e-01 3.39010414e-01 1.18682834e-34] [0.00000000e+00 8.49381463e-01 8.49381463e-01] [1.47426857e-36 1.50618537e-01 8.49381463e-01] [0.00000000e+00 8.49381463e-01 1.50618537e-01] [3.86543573e-36 1.50618537e-01 1.50618537e-01] [8.49381463e-01 0.00000000e+00 8.49381463e-01] [8.49381463e-01 2.96707084e-35 1.50618537e-01] [1.50618537e-01 0.00000000e+00 8.49381463e-01] [1.50618537e-01 0.00000000e+00 1.50618537e-01] [8.49381463e-01 8.49381463e-01 2.37365667e-34] [1.50618537e-01 8.49381463e-01 0.00000000e+00] [8.49381463e-01 1.50618537e-01 0.00000000e+00] [1.50618537e-01 1.50618537e-01 3.70883855e-35] [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] [0.00000000e+00 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 1.48353542e-34] [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([[12.982028729340513, -4.128639812747899e-31, -2.7842035285760035e-32], [-2.239148339777928e-31, 12.982028729340513, 5.523944672109619e-18], [-1.5371828240021704e-31, 5.523944672109774e-18, 12.982028729340513]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.10811222e-09 9.88464603e-41 6.66584338e-42] [ 3.10811222e-09 -9.88464603e-41 -6.66584338e-42] [ 5.36089118e-41 -3.10811222e-09 -1.32252365e-27] [-5.36089118e-41 3.10811222e-09 1.32252365e-27] [ 3.68026972e-41 -1.32252365e-27 -3.10811222e-09] [-3.68026972e-41 1.32252365e-27 3.10811222e-09] [-1.47768063e-09 4.69942811e-41 1.06677239e-31] [ 1.47768063e-09 -4.69942811e-41 -1.06677239e-31] [ 1.06677239e-31 -1.47768063e-09 -6.28763516e-28] [-1.06677239e-31 1.47768063e-09 6.28763516e-28] [ 1.74969978e-41 -6.28656839e-28 -1.47768063e-09] [-1.74969978e-41 6.28656839e-28 1.47768063e-09] [ 2.54871268e-41 -1.47768063e-09 -6.28763516e-28] [-2.54871268e-41 1.47768063e-09 6.28816854e-28] [-1.47768063e-09 4.69942811e-41 3.16912225e-42] [ 1.47768063e-09 -4.69942811e-41 -3.16912225e-42] [-1.74969978e-41 6.28763516e-28 1.47768063e-09] [ 1.74969978e-41 -6.28763516e-28 -1.47768063e-09] [-1.02093451e-32 -2.40149611e-09 -2.40149611e-09] [ 6.66732742e-33 2.40149611e-09 -2.40149611e-09] [ 6.66732744e-33 -2.40149611e-09 2.40149611e-09] [ 1.02093451e-32 2.40149611e-09 2.40149611e-09] [-2.40149611e-09 -1.02183684e-27 -2.40149611e-09] [-2.40149611e-09 1.02185351e-27 2.40149611e-09] [ 2.40149611e-09 -1.02185351e-27 -2.40149611e-09] [ 2.40149611e-09 1.02186351e-27 2.40149611e-09] [-2.40149611e-09 -2.40149611e-09 -1.02184018e-27] [ 2.40149611e-09 -2.40149611e-09 -1.02185351e-27] [-2.40149611e-09 2.40149611e-09 1.02185351e-27] [ 2.40149611e-09 2.40149611e-09 1.02183351e-27] [-2.44691357e-41 8.41184232e-10 8.41184232e-10] [ 2.66693097e-32 -8.41184232e-10 8.41184232e-10] [ 5.33386194e-32 8.41184232e-10 -8.41184232e-10] [-1.60015858e-31 -8.41184232e-10 -8.41184232e-10] [ 8.41184232e-10 3.57823139e-28 8.41184232e-10] [ 8.41184232e-10 -3.57929816e-28 -8.41184232e-10] [-8.41184232e-10 3.57876477e-28 8.41184232e-10] [-8.41184232e-10 -3.57823139e-28 -8.41184232e-10] [ 8.41184232e-10 8.41184232e-10 3.57823139e-28] [-8.41184232e-10 8.41184232e-10 3.57929816e-28] [ 8.41184232e-10 -8.41184232e-10 -3.57983155e-28] [-8.41184232e-10 -8.41184232e-10 -3.57823139e-28] [-5.33386194e-32 9.70166297e-10 -2.02434617e-09] [ 1.00009912e-32 -9.70166297e-10 -2.02434617e-09] [ 8.00079291e-32 9.70166297e-10 2.02434617e-09] [-4.00039646e-32 -9.70166297e-10 2.02434617e-09] [-2.02434617e-09 4.12751754e-28 9.70166297e-10] [-2.02434617e-09 -4.12822594e-28 -9.70166297e-10] [ 2.02434617e-09 4.12905936e-28 9.70166297e-10] [ 2.02434617e-09 -4.12892601e-28 -9.70166297e-10] [ 9.70166297e-10 -2.02434617e-09 -8.61426894e-28] [-9.70166297e-10 -2.02434617e-09 -8.61380223e-28] [ 9.70166297e-10 2.02434617e-09 8.61452730e-28] [-9.70166297e-10 2.02434617e-09 8.61325218e-28] [ 9.70166297e-10 8.61380223e-28 2.02434617e-09] [-9.70166297e-10 8.61326884e-28 2.02434617e-09] [ 9.70166297e-10 -8.61426894e-28 -2.02434617e-09] [-9.70166297e-10 -8.61373556e-28 -2.02434617e-09] [ 4.00039646e-32 -2.02434617e-09 -9.70166297e-10] [-3.00029734e-32 -2.02434617e-09 9.70166297e-10] [-5.33386195e-32 2.02434617e-09 -9.70166297e-10] [-1.83351505e-32 2.02434617e-09 9.70166297e-10] [-2.02434617e-09 9.70166297e-10 4.12775923e-28] [-2.02434617e-09 -9.70166297e-10 -4.12845930e-28] [ 2.02434617e-09 9.70166297e-10 4.12794258e-28] [ 2.02434617e-09 -9.70166297e-10 -4.12852597e-28] [ 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] [ 1.09401996e-09 1.33346548e-32 -2.34630065e-42] [-1.09401996e-09 4.00039646e-32 5.33386195e-32] [ 2.66693097e-32 1.09401996e-09 4.65577374e-28] [ 4.00039646e-32 -1.09401996e-09 -4.65539871e-28] [ 9.33425840e-32 4.65513201e-28 1.09401996e-09] [ 2.00019823e-32 -4.65459863e-28 -1.09401996e-09] [-4.30352424e-10 -4.30352424e-10 -4.30352424e-10] [ 4.30352424e-10 4.30352424e-10 -4.30352424e-10] [ 4.30352424e-10 -4.30352424e-10 4.30352424e-10] [-4.30352424e-10 4.30352424e-10 4.30352424e-10] [-4.30352424e-10 -4.30352424e-10 4.30352424e-10] [ 4.30352424e-10 4.30352424e-10 4.30352424e-10] [-4.30352424e-10 4.30352424e-10 -4.30352424e-10] [ 4.30352424e-10 -4.30352424e-10 -4.30352424e-10] [ 8.87831983e-10 8.87831983e-10 3.14138239e-09] [-8.87831983e-10 -8.87831983e-10 3.14138239e-09] [-8.87831983e-10 8.87831983e-10 -3.14138239e-09] [ 8.87831983e-10 -8.87831983e-10 -3.14138239e-09] [ 3.14138239e-09 8.87831983e-10 8.87831983e-10] [ 3.14138239e-09 -8.87831983e-10 -8.87831983e-10] [-3.14138239e-09 -8.87831983e-10 8.87831983e-10] [-3.14138239e-09 8.87831983e-10 -8.87831983e-10] [ 8.87831983e-10 3.14138239e-09 8.87831983e-10] [-8.87831983e-10 3.14138239e-09 -8.87831983e-10] [ 8.87831983e-10 -3.14138239e-09 -8.87831983e-10] [-8.87831983e-10 -3.14138239e-09 8.87831983e-10] [ 8.87831983e-10 8.87831983e-10 -3.14138239e-09] [-8.87831983e-10 -8.87831983e-10 -3.14138239e-09] [ 8.87831983e-10 -8.87831983e-10 3.14138239e-09] [-8.87831983e-10 8.87831983e-10 3.14138239e-09] [ 8.87831983e-10 3.14138239e-09 -8.87831983e-10] [-8.87831983e-10 3.14138239e-09 8.87831983e-10] [-8.87831983e-10 -3.14138239e-09 -8.87831983e-10] [ 8.87831983e-10 -3.14138239e-09 8.87831983e-10] [ 3.14138239e-09 8.87831983e-10 -8.87831983e-10] [ 3.14138239e-09 -8.87831983e-10 8.87831983e-10] [-3.14138239e-09 8.87831983e-10 8.87831983e-10] [-3.14138239e-09 -8.87831983e-10 -8.87831983e-10]] stress = [-8.66735793e-12 -8.66735793e-12 -8.66735793e-12 1.40213130e-28 9.75155926e-35 -4.09319394e-51] energy per atom = -2.637500750768262 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0