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 11:17:48 -277.298378 0.556397 BFGS: 1 11:17:50 -277.473495 0.521651 BFGS: 2 11:17:51 -278.251797 0.465739 BFGS: 3 11:17:51 -278.685485 0.658173 BFGS: 4 11:17:52 -278.903071 0.940451 BFGS: 5 11:17:52 -279.229147 0.845006 BFGS: 6 11:17:53 -280.142875 0.563426 BFGS: 7 11:17:54 -280.573050 0.457279 BFGS: 8 11:17:55 -280.644311 0.451473 BFGS: 9 11:17:55 -280.993375 0.827582 BFGS: 10 11:17:56 -281.355785 1.449536 BFGS: 11 11:17:56 -281.628685 1.797742 BFGS: 12 11:17:56 -281.859302 1.619305 BFGS: 13 11:17:57 -282.135889 1.429135 BFGS: 14 11:17:58 -282.488882 1.350831 BFGS: 15 11:17:58 -282.692458 1.232042 BFGS: 16 11:17:59 -282.841596 1.166152 BFGS: 17 11:17:59 -282.944741 1.095203 BFGS: 18 11:17:59 -283.037327 1.038403 BFGS: 19 11:17:59 -283.129204 0.983008 BFGS: 20 11:18:00 -283.222322 0.930011 BFGS: 21 11:18:00 -283.315167 0.878084 BFGS: 22 11:18:00 -283.405929 0.827336 BFGS: 23 11:18:01 -283.492812 0.777916 BFGS: 24 11:18:01 -283.574260 0.730048 BFGS: 25 11:18:01 -283.649105 0.683933 BFGS: 26 11:18:01 -283.716740 0.639726 BFGS: 27 11:18:01 -283.777189 0.597494 BFGS: 28 11:18:02 -283.831113 0.557231 BFGS: 29 11:18:02 -283.879645 0.518846 BFGS: 30 11:18:02 -283.924170 0.482170 BFGS: 31 11:18:03 -283.966074 0.446964 BFGS: 32 11:18:03 -284.006564 0.412943 BFGS: 33 11:18:03 -284.046571 0.379801 BFGS: 34 11:18:04 -284.086739 0.347228 BFGS: 35 11:18:04 -284.127463 0.314933 BFGS: 36 11:18:04 -284.168943 0.282653 BFGS: 37 11:18:04 -284.211240 0.266011 BFGS: 38 11:18:05 -284.254312 0.281724 BFGS: 39 11:18:05 -284.298043 0.292843 BFGS: 40 11:18:05 -284.342261 0.299612 BFGS: 41 11:18:06 -284.386746 0.302217 BFGS: 42 11:18:06 -284.431240 0.300788 BFGS: 43 11:18:06 -284.475447 0.295400 BFGS: 44 11:18:07 -284.519033 0.286072 BFGS: 45 11:18:07 -284.561622 0.272758 BFGS: 46 11:18:07 -284.602790 0.255338 BFGS: 47 11:18:08 -284.642056 0.233590 BFGS: 48 11:18:08 -284.678861 0.207139 BFGS: 49 11:18:08 -284.712549 0.182648 BFGS: 50 11:18:08 -284.742304 0.219463 BFGS: 51 11:18:08 -284.767049 0.254649 BFGS: 52 11:18:09 -284.785130 0.285848 BFGS: 53 11:18:09 -284.792197 0.288339 BFGS: 54 11:18:09 -284.797894 0.269075 BFGS: 55 11:18:09 -284.803567 0.224965 BFGS: 56 11:18:10 -284.805392 0.199165 BFGS: 57 11:18:10 -284.806118 0.190359 BFGS: 58 11:18:10 -284.806712 0.189031 BFGS: 59 11:18:10 -284.807354 0.193363 BFGS: 60 11:18:10 -284.807746 0.200033 BFGS: 61 11:18:10 -284.807933 0.204485 BFGS: 62 11:18:11 -284.808041 0.207276 BFGS: 63 11:18:11 -284.808133 0.209174 BFGS: 64 11:18:12 -284.808260 0.210308 BFGS: 65 11:18:12 -284.808440 0.209730 BFGS: 66 11:18:12 -284.808590 0.206781 BFGS: 67 11:18:13 -284.808661 0.203620 BFGS: 68 11:18:13 -284.808689 0.201871 BFGS: 69 11:18:14 -284.808709 0.200688 BFGS: 70 11:18:14 -284.808727 0.200013 BFGS: 71 11:18:14 -284.808747 0.199784 BFGS: 72 11:18:14 -284.808766 0.200175 BFGS: 73 11:18:15 -284.808781 0.200928 BFGS: 74 11:18:15 -284.808791 0.201573 BFGS: 75 11:18:15 -284.808798 0.201874 BFGS: 76 11:18:15 -284.808804 0.201816 BFGS: 77 11:18:16 -284.808811 0.201473 BFGS: 78 11:18:16 -284.808820 0.200818 BFGS: 79 11:18:17 -284.808831 0.199902 BFGS: 80 11:18:17 -284.808841 0.199173 BFGS: 81 11:18:17 -284.808846 0.198986 BFGS: 82 11:18:18 -284.808849 0.199039 BFGS: 83 11:18:18 -284.808851 0.199066 BFGS: 84 11:18:18 -284.808853 0.198927 BFGS: 85 11:18:19 -284.808856 0.198548 BFGS: 86 11:18:19 -284.808857 0.198153 BFGS: 87 11:18:19 -284.808858 0.197942 BFGS: 88 11:18:20 -284.808858 0.197820 BFGS: 89 11:18:20 -284.808858 0.197756 BFGS: 90 11:18:20 -284.808858 0.197715 BFGS: 91 11:18:20 -284.808858 0.197698 BFGS: 92 11:18:21 -284.808858 0.197676 BFGS: 93 11:18:21 -284.808858 0.197671 BFGS: 94 11:18:21 -284.808858 0.197644 BFGS: 95 11:18:21 -284.808858 0.197613 BFGS: 96 11:18:22 -284.808858 0.197554 BFGS: 97 11:18:22 -284.808859 0.197462 BFGS: 98 11:18:22 -284.808860 0.197309 BFGS: 99 11:18:22 -284.808863 0.197057 BFGS: 100 11:18:23 -284.808872 0.196632 BFGS: 101 11:18:23 -284.808894 0.195906 BFGS: 102 11:18:23 -284.808953 0.194627 BFGS: 103 11:18:24 -284.809105 0.192292 BFGS: 104 11:18:25 -284.809500 0.187843 BFGS: 105 11:18:25 -284.810513 0.179024 BFGS: 106 11:18:26 -284.813018 0.161162 BFGS: 107 11:18:26 -284.818686 0.126279 BFGS: 108 11:18:27 -284.827321 0.094864 BFGS: 109 11:18:27 -284.834861 0.090843 BFGS: 110 11:18:28 -284.841527 0.075112 BFGS: 111 11:18:28 -284.846743 0.050718 BFGS: 112 11:18:29 -284.849713 0.018489 BFGS: 113 11:18:29 -284.850067 0.003836 BFGS: 114 11:18:30 -284.850079 0.001489 BFGS: 115 11:18:30 -284.850081 0.000043 BFGS: 116 11:18:30 -284.850081 0.000006 BFGS: 117 11:18:31 -284.850081 0.000001 BFGS: 118 11:18:31 -284.850081 0.000000 BFGS: 119 11:18:32 -284.850081 0.000000 BFGS: 120 11:18:33 -284.850081 0.000000 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