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 15:47:34 -277.298378 0.556397 BFGS: 1 15:47:35 -277.473495 0.521651 BFGS: 2 15:47:35 -278.251797 0.465739 BFGS: 3 15:47:36 -278.685485 0.658173 BFGS: 4 15:47:37 -278.903071 0.940451 BFGS: 5 15:47:37 -279.229147 0.845006 BFGS: 6 15:47:38 -280.142875 0.563426 BFGS: 7 15:47:39 -280.573050 0.457279 BFGS: 8 15:47:39 -280.644311 0.451473 BFGS: 9 15:47:40 -280.993375 0.827582 BFGS: 10 15:47:40 -281.355785 1.449536 BFGS: 11 15:47:41 -281.628685 1.797742 BFGS: 12 15:47:41 -281.859302 1.619305 BFGS: 13 15:47:42 -282.135890 1.429132 BFGS: 14 15:47:42 -282.488883 1.350829 BFGS: 15 15:47:43 -282.692458 1.232040 BFGS: 16 15:47:44 -282.841596 1.166151 BFGS: 17 15:47:44 -282.944739 1.095203 BFGS: 18 15:47:45 -283.037326 1.038405 BFGS: 19 15:47:45 -283.129202 0.983010 BFGS: 20 15:47:46 -283.222319 0.930015 BFGS: 21 15:47:46 -283.315164 0.878089 BFGS: 22 15:47:47 -283.405925 0.827341 BFGS: 23 15:47:47 -283.492808 0.777922 BFGS: 24 15:47:48 -283.574255 0.730054 BFGS: 25 15:47:48 -283.649099 0.683941 BFGS: 26 15:47:49 -283.716734 0.639734 BFGS: 27 15:47:50 -283.777183 0.597502 BFGS: 28 15:47:52 -283.831105 0.557240 BFGS: 29 15:47:52 -283.879638 0.518857 BFGS: 30 15:47:53 -283.924162 0.482181 BFGS: 31 15:47:54 -283.966065 0.446975 BFGS: 32 15:47:55 -284.006555 0.412956 BFGS: 33 15:47:56 -284.046562 0.379815 BFGS: 34 15:47:57 -284.086730 0.347243 BFGS: 35 15:47:57 -284.127453 0.314949 BFGS: 36 15:47:58 -284.168933 0.282669 BFGS: 37 15:47:59 -284.211230 0.266011 BFGS: 38 15:48:00 -284.254303 0.281724 BFGS: 39 15:48:00 -284.298034 0.292843 BFGS: 40 15:48:01 -284.342251 0.299612 BFGS: 41 15:48:02 -284.386736 0.302218 BFGS: 42 15:48:02 -284.431231 0.300790 BFGS: 43 15:48:03 -284.475438 0.295403 BFGS: 44 15:48:03 -284.519023 0.286076 BFGS: 45 15:48:04 -284.561612 0.272764 BFGS: 46 15:48:05 -284.602781 0.255346 BFGS: 47 15:48:05 -284.642047 0.233599 BFGS: 48 15:48:06 -284.678853 0.207150 BFGS: 49 15:48:07 -284.712542 0.182615 BFGS: 50 15:48:07 -284.742299 0.219430 BFGS: 51 15:48:08 -284.767046 0.254617 BFGS: 52 15:48:09 -284.785130 0.285818 BFGS: 53 15:48:09 -284.792201 0.288330 BFGS: 54 15:48:10 -284.797896 0.269087 BFGS: 55 15:48:10 -284.803572 0.224968 BFGS: 56 15:48:11 -284.805399 0.199162 BFGS: 57 15:48:12 -284.806124 0.190349 BFGS: 58 15:48:13 -284.806719 0.189018 BFGS: 59 15:48:13 -284.807360 0.193347 BFGS: 60 15:48:14 -284.807752 0.200017 BFGS: 61 15:48:15 -284.807939 0.204471 BFGS: 62 15:48:15 -284.808047 0.207262 BFGS: 63 15:48:16 -284.808139 0.209161 BFGS: 64 15:48:17 -284.808266 0.210295 BFGS: 65 15:48:18 -284.808446 0.209719 BFGS: 66 15:48:18 -284.808596 0.206771 BFGS: 67 15:48:19 -284.808667 0.203609 BFGS: 68 15:48:20 -284.808695 0.201859 BFGS: 69 15:48:20 -284.808715 0.200676 BFGS: 70 15:48:21 -284.808733 0.200001 BFGS: 71 15:48:21 -284.808753 0.199771 BFGS: 72 15:48:22 -284.808772 0.200163 BFGS: 73 15:48:22 -284.808787 0.200915 BFGS: 74 15:48:23 -284.808797 0.201560 BFGS: 75 15:48:23 -284.808804 0.201861 BFGS: 76 15:48:24 -284.808810 0.201804 BFGS: 77 15:48:25 -284.808817 0.201461 BFGS: 78 15:48:25 -284.808826 0.200806 BFGS: 79 15:48:26 -284.808837 0.199889 BFGS: 80 15:48:26 -284.808847 0.199160 BFGS: 81 15:48:27 -284.808852 0.198974 BFGS: 82 15:48:27 -284.808855 0.199027 BFGS: 83 15:48:28 -284.808857 0.199053 BFGS: 84 15:48:28 -284.808859 0.198914 BFGS: 85 15:48:29 -284.808862 0.198536 BFGS: 86 15:48:29 -284.808863 0.198141 BFGS: 87 15:48:30 -284.808864 0.197929 BFGS: 88 15:48:30 -284.808864 0.197807 BFGS: 89 15:48:31 -284.808864 0.197744 BFGS: 90 15:48:31 -284.808864 0.197703 BFGS: 91 15:48:32 -284.808864 0.197685 BFGS: 92 15:48:32 -284.808864 0.197664 BFGS: 93 15:48:33 -284.808864 0.197659 BFGS: 94 15:48:33 -284.808864 0.197632 BFGS: 95 15:48:34 -284.808864 0.197601 BFGS: 96 15:48:34 -284.808864 0.197542 BFGS: 97 15:48:34 -284.808865 0.197451 BFGS: 98 15:48:35 -284.808866 0.197299 BFGS: 99 15:48:35 -284.808869 0.197049 BFGS: 100 15:48:36 -284.808878 0.196627 BFGS: 101 15:48:36 -284.808900 0.195907 BFGS: 102 15:48:37 -284.808957 0.194639 BFGS: 103 15:48:38 -284.809108 0.192325 BFGS: 104 15:48:38 -284.809498 0.187919 BFGS: 105 15:48:39 -284.810497 0.179189 BFGS: 106 15:48:39 -284.812970 0.161509 BFGS: 107 15:48:40 -284.818576 0.126934 BFGS: 108 15:48:41 -284.827228 0.094917 BFGS: 109 15:48:42 -284.834772 0.091076 BFGS: 110 15:48:42 -284.841452 0.075441 BFGS: 111 15:48:43 -284.846692 0.051101 BFGS: 112 15:48:43 -284.849695 0.018922 BFGS: 113 15:48:44 -284.850066 0.003865 BFGS: 114 15:48:44 -284.850079 0.001507 BFGS: 115 15:48:45 -284.850081 0.000042 BFGS: 116 15:48:45 -284.850081 0.000006 BFGS: 117 15:48:46 -284.850081 0.000001 BFGS: 118 15:48:46 -284.850081 0.000000 BFGS: 119 15:48:47 -284.850081 0.000000 BFGS: 120 15:48:47 -284.850081 0.000000 Minimization converged after 120 steps. Maximum force component: 3.141374457471594e-09 eV/Angstrom Maximum stress component: 8.667801599141036e-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 3.33945112e-33 3.85102030e-33] [3.27989746e-01 0.00000000e+00 8.97479964e-34] [3.44245958e-33 6.72010254e-01 3.70883855e-33] [2.99556775e-34 3.27989746e-01 0.00000000e+00] [3.90694162e-33 3.51597895e-33 6.72010254e-01] [0.00000000e+00 2.74454053e-34 3.27989746e-01] [1.59765914e-01 5.00000000e-01 0.00000000e+00] [8.40234086e-01 5.00000000e-01 7.41767710e-36] [0.00000000e+00 1.59765914e-01 5.00000000e-01] [4.82265126e-36 8.40234086e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 1.59765914e-01] [5.00000000e-01 1.18682834e-34 8.40234086e-01] [5.00000000e-01 1.59765914e-01 0.00000000e+00] [5.00000000e-01 8.40234086e-01 1.03847479e-34] [1.59765914e-01 1.48353542e-35 5.00000000e-01] [8.40234086e-01 7.41767710e-36 5.00000000e-01] [1.39442790e-36 5.00000000e-01 8.40234086e-01] [0.00000000e+00 5.00000000e-01 1.59765914e-01] [0.00000000e+00 6.60989586e-01 6.60989586e-01] [0.00000000e+00 3.39010414e-01 6.60989586e-01] [0.00000000e+00 6.60989586e-01 3.39010414e-01] [1.24193158e-35 3.39010414e-01 3.39010414e-01] [6.60989586e-01 0.00000000e+00 6.60989586e-01] [6.60989586e-01 3.70883855e-36 3.39010414e-01] [3.39010414e-01 0.00000000e+00 6.60989586e-01] [3.39010414e-01 0.00000000e+00 3.39010414e-01] [6.60989586e-01 6.60989586e-01 0.00000000e+00] [3.39010414e-01 6.60989586e-01 0.00000000e+00] [6.60989586e-01 3.39010414e-01 0.00000000e+00] [3.39010414e-01 3.39010414e-01 7.41767710e-36] [0.00000000e+00 8.49381463e-01 8.49381463e-01] [3.08224270e-36 1.50618537e-01 8.49381463e-01] [0.00000000e+00 8.49381463e-01 1.50618537e-01] [0.00000000e+00 1.50618537e-01 1.50618537e-01] [8.49381463e-01 0.00000000e+00 8.49381463e-01] [8.49381463e-01 5.56325783e-36 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 0.00000000e+00] [1.50618537e-01 8.49381463e-01 0.00000000e+00] [8.49381463e-01 1.50618537e-01 7.41767710e-36] [1.50618537e-01 1.50618537e-01 0.00000000e+00] [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 7.41767710e-36] [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([[12.98202872934051, -3.204368229053014e-32, -2.48975582342016e-32], [-4.4764864451533294e-32, 12.98202872934051, 1.053284279109913e-18], [2.486990233461623e-32, 1.0532842791098786e-18, 12.98202872934051]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.10811139e-09 5.33386195e-32 -2.66693097e-32] [ 3.10811139e-09 1.06677239e-31 -2.66693097e-32] [ 5.33386195e-32 -3.10811139e-09 -2.52146926e-28] [ 5.33386194e-32 3.10811139e-09 2.52253604e-28] [-5.33386195e-32 -2.52173596e-28 -3.10811139e-09] [ 1.06677239e-31 2.52173596e-28 3.10811139e-09] [-1.47767403e-09 3.64735883e-42 -1.66683186e-32] [ 1.47767403e-09 -3.64735882e-42 4.00039646e-32] [-2.00019823e-32 -1.47767403e-09 -1.19889646e-28] [-5.09534210e-42 1.47767403e-09 1.19889646e-28] [-2.83080630e-42 -1.19902980e-28 -1.47767403e-09] [ 2.83080630e-42 1.19876311e-28 1.47767403e-09] [ 5.09534210e-42 -1.47767403e-09 -1.19862976e-28] [-5.09534210e-42 1.47767403e-09 1.19882978e-28] [-1.47767403e-09 3.64735883e-42 2.83395422e-42] [ 1.47767403e-09 -3.64735883e-42 -2.83395422e-42] [ 2.83080630e-42 1.19889646e-28 1.47767403e-09] [ 1.33346549e-32 -1.19889646e-28 -1.47767403e-09] [ 3.68023758e-42 -2.40145971e-09 -2.40145971e-09] [ 1.33346549e-32 2.40145971e-09 -2.40145971e-09] [-1.33346549e-32 -2.40145971e-09 2.40145971e-09] [-1.33346549e-32 2.40145971e-09 2.40145971e-09] [-2.40145971e-09 -1.94840099e-28 -2.40145971e-09] [-2.40145971e-09 1.94853434e-28 2.40145971e-09] [ 2.40145971e-09 -1.94853434e-28 -2.40145971e-09] [ 2.40145971e-09 1.94826764e-28 2.40145971e-09] [-2.40145971e-09 -2.40145971e-09 -1.94840099e-28] [ 2.40145971e-09 -2.40145971e-09 -1.94830098e-28] [-2.40145971e-09 2.40145971e-09 1.94833432e-28] [ 2.40145971e-09 2.40145971e-09 1.94826764e-28] [-5.33386195e-32 8.41138524e-10 8.41138524e-10] [-5.33386194e-32 -8.41138524e-10 8.41138524e-10] [ 2.66693097e-32 8.41138524e-10 -8.41138524e-10] [ 2.66693097e-32 -8.41138524e-10 -8.41138524e-10] [ 8.41138524e-10 6.82182871e-29 8.41138524e-10] [ 8.41138524e-10 -6.82716257e-29 -8.41138524e-10] [-8.41138524e-10 6.82982950e-29 8.41138524e-10] [-8.41138524e-10 -6.82182871e-29 -8.41138524e-10] [ 8.41138524e-10 8.41138524e-10 6.82182871e-29] [-8.41138524e-10 8.41138524e-10 6.81782831e-29] [ 8.41138524e-10 -8.41138524e-10 -6.81916177e-29] [-8.41138524e-10 -8.41138524e-10 -6.81916177e-29] [-7.22336901e-42 9.70150493e-10 -2.02434766e-09] [-2.13354478e-31 -9.70150493e-10 -2.02434766e-09] [-1.06677239e-31 9.70150493e-10 2.02434766e-09] [ 1.06677239e-31 -9.70150493e-10 2.02434766e-09] [-2.02434766e-09 7.86055398e-29 9.70150493e-10] [-2.02434766e-09 -7.90322488e-29 -9.70150493e-10] [ 2.02434766e-09 7.86055398e-29 9.70150493e-10] [ 2.02434766e-09 -7.88188943e-29 -9.70150493e-10] [ 9.70150493e-10 -2.02434766e-09 -1.64403495e-28] [-9.70150493e-10 -2.02434766e-09 -1.64510172e-28] [ 9.70150493e-10 2.02434766e-09 1.64190141e-28] [-9.70150493e-10 2.02434766e-09 1.64136802e-28] [ 9.70150493e-10 1.64030125e-28 2.02434766e-09] [-9.70150493e-10 1.64563511e-28 2.02434766e-09] [ 9.70150493e-10 -1.64350157e-28 -2.02434766e-09] [-9.70150493e-10 -1.64136802e-28 -2.02434766e-09] [ 5.12185746e-42 -2.02434766e-09 -9.70150493e-10] [ 8.83892642e-42 -2.02434766e-09 9.70150493e-10] [ 3.20031717e-31 2.02434766e-09 -9.70150493e-10] [-1.06677239e-31 2.02434766e-09 9.70150493e-10] [-2.02434766e-09 9.70150493e-10 7.86588784e-29] [-2.02434766e-09 -9.70150493e-10 -7.86055398e-29] [ 2.02434766e-09 9.70150493e-10 7.84988626e-29] [ 2.02434766e-09 -9.70150493e-10 -7.84455239e-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] [ 1.09403013e-09 2.66693097e-32 1.33346549e-32] [-1.09403013e-09 2.70040643e-42 -5.00049557e-33] [ 1.33346549e-32 1.09403013e-09 8.87780724e-29] [-1.33346549e-32 -1.09403013e-09 -8.87497362e-29] [ 5.33386195e-32 8.87897402e-29 1.09403013e-09] [ 1.33346549e-32 -8.87630709e-29 -1.09403013e-09] [-4.30352558e-10 -4.30352558e-10 -4.30352558e-10] [ 4.30352558e-10 4.30352558e-10 -4.30352558e-10] [ 4.30352558e-10 -4.30352558e-10 4.30352558e-10] [-4.30352558e-10 4.30352558e-10 4.30352558e-10] [-4.30352558e-10 -4.30352558e-10 4.30352558e-10] [ 4.30352558e-10 4.30352558e-10 4.30352558e-10] [-4.30352558e-10 4.30352558e-10 -4.30352558e-10] [ 4.30352558e-10 -4.30352558e-10 -4.30352558e-10] [ 8.87817209e-10 8.87817209e-10 3.14137446e-09] [-8.87817209e-10 -8.87817209e-10 3.14137446e-09] [-8.87817209e-10 8.87817209e-10 -3.14137446e-09] [ 8.87817209e-10 -8.87817209e-10 -3.14137446e-09] [ 3.14137446e-09 8.87817209e-10 8.87817209e-10] [ 3.14137446e-09 -8.87817209e-10 -8.87817209e-10] [-3.14137446e-09 -8.87817209e-10 8.87817209e-10] [-3.14137446e-09 8.87817209e-10 -8.87817209e-10] [ 8.87817209e-10 3.14137446e-09 8.87817209e-10] [-8.87817209e-10 3.14137446e-09 -8.87817209e-10] [ 8.87817209e-10 -3.14137446e-09 -8.87817209e-10] [-8.87817209e-10 -3.14137446e-09 8.87817209e-10] [ 8.87817209e-10 8.87817209e-10 -3.14137446e-09] [-8.87817209e-10 -8.87817209e-10 -3.14137446e-09] [ 8.87817209e-10 -8.87817209e-10 3.14137446e-09] [-8.87817209e-10 8.87817209e-10 3.14137446e-09] [ 8.87817209e-10 3.14137446e-09 -8.87817209e-10] [-8.87817209e-10 3.14137446e-09 8.87817209e-10] [-8.87817209e-10 -3.14137446e-09 -8.87817209e-10] [ 8.87817209e-10 -3.14137446e-09 8.87817209e-10] [ 3.14137446e-09 8.87817209e-10 -8.87817209e-10] [ 3.14137446e-09 -8.87817209e-10 8.87817209e-10] [-3.14137446e-09 8.87817209e-10 8.87817209e-10] [-3.14137446e-09 -8.87817209e-10 -8.87817209e-10]] stress = [-8.66780160e-12 -8.66780160e-12 -8.66780160e-12 -8.22159533e-31 1.34083940e-34 3.07453778e-53] energy per atom = -2.6375007507682677 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0