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_001 ==== 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 11:18:30 -277.298378 0.556397 BFGS: 1 11:18:30 -277.473495 0.521651 BFGS: 2 11:18:30 -278.251797 0.465739 BFGS: 3 11:18:30 -278.685485 0.658173 BFGS: 4 11:18:30 -278.903071 0.940451 BFGS: 5 11:18:30 -279.229147 0.845006 BFGS: 6 11:18:30 -280.142875 0.563426 BFGS: 7 11:18:31 -280.573050 0.457279 BFGS: 8 11:18:31 -280.644311 0.451473 BFGS: 9 11:18:31 -280.993375 0.827582 BFGS: 10 11:18:31 -281.355785 1.449536 BFGS: 11 11:18:31 -281.628685 1.797742 BFGS: 12 11:18:32 -281.859302 1.619305 BFGS: 13 11:18:32 -282.135890 1.429132 BFGS: 14 11:18:32 -282.488883 1.350829 BFGS: 15 11:18:33 -282.692458 1.232040 BFGS: 16 11:18:35 -282.841596 1.166151 BFGS: 17 11:18:35 -282.944739 1.095203 BFGS: 18 11:18:36 -283.037326 1.038405 BFGS: 19 11:18:36 -283.129202 0.983010 BFGS: 20 11:18:36 -283.222319 0.930015 BFGS: 21 11:18:37 -283.315164 0.878089 BFGS: 22 11:18:38 -283.405925 0.827341 BFGS: 23 11:18:38 -283.492808 0.777922 BFGS: 24 11:18:39 -283.574255 0.730054 BFGS: 25 11:18:39 -283.649099 0.683941 BFGS: 26 11:18:40 -283.716734 0.639735 BFGS: 27 11:18:40 -283.777183 0.597502 BFGS: 28 11:18:40 -283.831105 0.557240 BFGS: 29 11:18:41 -283.879638 0.518857 BFGS: 30 11:18:41 -283.924162 0.482181 BFGS: 31 11:18:42 -283.966065 0.446975 BFGS: 32 11:18:42 -284.006555 0.412956 BFGS: 33 11:18:43 -284.046562 0.379815 BFGS: 34 11:18:43 -284.086730 0.347243 BFGS: 35 11:18:44 -284.127453 0.314949 BFGS: 36 11:18:44 -284.168933 0.282669 BFGS: 37 11:18:45 -284.211230 0.266011 BFGS: 38 11:18:45 -284.254303 0.281724 BFGS: 39 11:18:46 -284.298034 0.292843 BFGS: 40 11:18:46 -284.342251 0.299612 BFGS: 41 11:18:46 -284.386736 0.302218 BFGS: 42 11:18:47 -284.431231 0.300790 BFGS: 43 11:18:47 -284.475438 0.295403 BFGS: 44 11:18:47 -284.519023 0.286076 BFGS: 45 11:18:48 -284.561612 0.272764 BFGS: 46 11:18:48 -284.602781 0.255346 BFGS: 47 11:18:49 -284.642047 0.233599 BFGS: 48 11:18:49 -284.678853 0.207150 BFGS: 49 11:18:50 -284.712542 0.182615 BFGS: 50 11:18:50 -284.742299 0.219430 BFGS: 51 11:18:51 -284.767046 0.254617 BFGS: 52 11:18:51 -284.785130 0.285818 BFGS: 53 11:18:51 -284.792201 0.288330 BFGS: 54 11:18:52 -284.797896 0.269087 BFGS: 55 11:18:52 -284.803572 0.224968 BFGS: 56 11:18:53 -284.805399 0.199162 BFGS: 57 11:18:53 -284.806124 0.190349 BFGS: 58 11:18:54 -284.806719 0.189018 BFGS: 59 11:18:54 -284.807360 0.193347 BFGS: 60 11:18:55 -284.807752 0.200017 BFGS: 61 11:18:55 -284.807939 0.204471 BFGS: 62 11:18:55 -284.808047 0.207262 BFGS: 63 11:18:56 -284.808139 0.209161 BFGS: 64 11:18:56 -284.808266 0.210295 BFGS: 65 11:18:57 -284.808446 0.209719 BFGS: 66 11:18:57 -284.808596 0.206770 BFGS: 67 11:18:58 -284.808667 0.203609 BFGS: 68 11:18:58 -284.808695 0.201859 BFGS: 69 11:18:59 -284.808715 0.200676 BFGS: 70 11:18:59 -284.808733 0.200001 BFGS: 71 11:19:00 -284.808753 0.199771 BFGS: 72 11:19:00 -284.808772 0.200163 BFGS: 73 11:19:00 -284.808787 0.200915 BFGS: 74 11:19:01 -284.808797 0.201560 BFGS: 75 11:19:01 -284.808804 0.201861 BFGS: 76 11:19:01 -284.808810 0.201804 BFGS: 77 11:19:02 -284.808817 0.201461 BFGS: 78 11:19:02 -284.808826 0.200806 BFGS: 79 11:19:02 -284.808837 0.199889 BFGS: 80 11:19:03 -284.808847 0.199160 BFGS: 81 11:19:03 -284.808852 0.198974 BFGS: 82 11:19:04 -284.808855 0.199027 BFGS: 83 11:19:04 -284.808857 0.199053 BFGS: 84 11:19:05 -284.808859 0.198914 BFGS: 85 11:19:05 -284.808862 0.198536 BFGS: 86 11:19:06 -284.808863 0.198141 BFGS: 87 11:19:06 -284.808864 0.197929 BFGS: 88 11:19:07 -284.808864 0.197807 BFGS: 89 11:19:07 -284.808864 0.197744 BFGS: 90 11:19:08 -284.808864 0.197703 BFGS: 91 11:19:08 -284.808864 0.197685 BFGS: 92 11:19:09 -284.808864 0.197664 BFGS: 93 11:19:10 -284.808864 0.197659 BFGS: 94 11:19:10 -284.808864 0.197632 BFGS: 95 11:19:11 -284.808864 0.197601 BFGS: 96 11:19:11 -284.808864 0.197542 BFGS: 97 11:19:12 -284.808865 0.197451 BFGS: 98 11:19:12 -284.808866 0.197299 BFGS: 99 11:19:13 -284.808869 0.197049 BFGS: 100 11:19:14 -284.808878 0.196627 BFGS: 101 11:19:14 -284.808900 0.195907 BFGS: 102 11:19:15 -284.808957 0.194639 BFGS: 103 11:19:15 -284.809108 0.192325 BFGS: 104 11:19:16 -284.809498 0.187919 BFGS: 105 11:19:16 -284.810497 0.179189 BFGS: 106 11:19:17 -284.812970 0.161509 BFGS: 107 11:19:17 -284.818576 0.126935 BFGS: 108 11:19:18 -284.827228 0.094917 BFGS: 109 11:19:18 -284.834772 0.091076 BFGS: 110 11:19:19 -284.841452 0.075442 BFGS: 111 11:19:19 -284.846692 0.051101 BFGS: 112 11:19:20 -284.849695 0.018922 BFGS: 113 11:19:20 -284.850066 0.003865 BFGS: 114 11:19:21 -284.850079 0.001507 BFGS: 115 11:19:21 -284.850081 0.000042 BFGS: 116 11:19:21 -284.850081 0.000006 BFGS: 117 11:19:22 -284.850081 0.000001 BFGS: 118 11:19:22 -284.850081 0.000000 BFGS: 119 11:19:23 -284.850081 0.000000 BFGS: 120 11:19:23 -284.850081 0.000000 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