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 15:46:24 -277.298378 0.556397 BFGS: 1 15:46:24 -277.473495 0.521651 BFGS: 2 15:46:24 -278.251797 0.465739 BFGS: 3 15:46:25 -278.685485 0.658173 BFGS: 4 15:46:25 -278.903071 0.940451 BFGS: 5 15:46:25 -279.229147 0.845006 BFGS: 6 15:46:26 -280.142875 0.563426 BFGS: 7 15:46:26 -280.573050 0.457279 BFGS: 8 15:46:27 -280.644311 0.451473 BFGS: 9 15:46:28 -280.993375 0.827582 BFGS: 10 15:46:28 -281.355785 1.449536 BFGS: 11 15:46:29 -281.628685 1.797742 BFGS: 12 15:46:29 -281.859302 1.619305 BFGS: 13 15:46:29 -282.135889 1.429135 BFGS: 14 15:46:30 -282.488882 1.350831 BFGS: 15 15:46:30 -282.692458 1.232042 BFGS: 16 15:46:31 -282.841596 1.166152 BFGS: 17 15:46:32 -282.944741 1.095203 BFGS: 18 15:46:32 -283.037327 1.038403 BFGS: 19 15:46:33 -283.129204 0.983008 BFGS: 20 15:46:34 -283.222322 0.930011 BFGS: 21 15:46:34 -283.315167 0.878084 BFGS: 22 15:46:36 -283.405929 0.827336 BFGS: 23 15:46:37 -283.492812 0.777916 BFGS: 24 15:46:37 -283.574260 0.730048 BFGS: 25 15:46:38 -283.649105 0.683933 BFGS: 26 15:46:39 -283.716740 0.639726 BFGS: 27 15:46:40 -283.777189 0.597494 BFGS: 28 15:46:41 -283.831113 0.557231 BFGS: 29 15:46:42 -283.879645 0.518846 BFGS: 30 15:46:43 -283.924170 0.482170 BFGS: 31 15:46:43 -283.966074 0.446964 BFGS: 32 15:46:44 -284.006564 0.412943 BFGS: 33 15:46:45 -284.046571 0.379801 BFGS: 34 15:46:46 -284.086739 0.347228 BFGS: 35 15:46:47 -284.127463 0.314933 BFGS: 36 15:46:48 -284.168943 0.282653 BFGS: 37 15:46:49 -284.211240 0.266011 BFGS: 38 15:46:49 -284.254312 0.281724 BFGS: 39 15:46:50 -284.298043 0.292843 BFGS: 40 15:46:51 -284.342261 0.299612 BFGS: 41 15:46:52 -284.386746 0.302217 BFGS: 42 15:46:53 -284.431240 0.300788 BFGS: 43 15:46:54 -284.475447 0.295400 BFGS: 44 15:46:55 -284.519033 0.286072 BFGS: 45 15:46:56 -284.561622 0.272758 BFGS: 46 15:46:57 -284.602790 0.255338 BFGS: 47 15:46:58 -284.642056 0.233590 BFGS: 48 15:46:59 -284.678861 0.207139 BFGS: 49 15:47:01 -284.712549 0.182648 BFGS: 50 15:47:02 -284.742304 0.219463 BFGS: 51 15:47:02 -284.767049 0.254649 BFGS: 52 15:47:04 -284.785130 0.285848 BFGS: 53 15:47:04 -284.792197 0.288339 BFGS: 54 15:47:05 -284.797894 0.269075 BFGS: 55 15:47:06 -284.803567 0.224965 BFGS: 56 15:47:07 -284.805392 0.199165 BFGS: 57 15:47:07 -284.806118 0.190359 BFGS: 58 15:47:08 -284.806712 0.189031 BFGS: 59 15:47:09 -284.807354 0.193363 BFGS: 60 15:47:10 -284.807746 0.200033 BFGS: 61 15:47:10 -284.807933 0.204485 BFGS: 62 15:47:12 -284.808041 0.207276 BFGS: 63 15:47:12 -284.808133 0.209174 BFGS: 64 15:47:12 -284.808260 0.210308 BFGS: 65 15:47:13 -284.808440 0.209730 BFGS: 66 15:47:13 -284.808590 0.206781 BFGS: 67 15:47:13 -284.808661 0.203620 BFGS: 68 15:47:14 -284.808689 0.201871 BFGS: 69 15:47:14 -284.808709 0.200688 BFGS: 70 15:47:15 -284.808727 0.200013 BFGS: 71 15:47:15 -284.808747 0.199784 BFGS: 72 15:47:16 -284.808766 0.200175 BFGS: 73 15:47:16 -284.808781 0.200928 BFGS: 74 15:47:17 -284.808791 0.201573 BFGS: 75 15:47:19 -284.808798 0.201874 BFGS: 76 15:47:20 -284.808804 0.201816 BFGS: 77 15:47:21 -284.808811 0.201473 BFGS: 78 15:47:22 -284.808820 0.200818 BFGS: 79 15:47:22 -284.808831 0.199902 BFGS: 80 15:47:23 -284.808841 0.199173 BFGS: 81 15:47:23 -284.808846 0.198986 BFGS: 82 15:47:24 -284.808849 0.199039 BFGS: 83 15:47:25 -284.808851 0.199066 BFGS: 84 15:47:26 -284.808853 0.198927 BFGS: 85 15:47:26 -284.808856 0.198548 BFGS: 86 15:47:27 -284.808857 0.198153 BFGS: 87 15:47:28 -284.808858 0.197942 BFGS: 88 15:47:29 -284.808858 0.197820 BFGS: 89 15:47:29 -284.808858 0.197756 BFGS: 90 15:47:30 -284.808858 0.197715 BFGS: 91 15:47:30 -284.808858 0.197698 BFGS: 92 15:47:30 -284.808858 0.197676 BFGS: 93 15:47:31 -284.808858 0.197671 BFGS: 94 15:47:32 -284.808858 0.197644 BFGS: 95 15:47:33 -284.808858 0.197613 BFGS: 96 15:47:34 -284.808858 0.197554 BFGS: 97 15:47:36 -284.808859 0.197462 BFGS: 98 15:47:36 -284.808860 0.197309 BFGS: 99 15:47:37 -284.808863 0.197057 BFGS: 100 15:47:37 -284.808872 0.196632 BFGS: 101 15:47:38 -284.808894 0.195906 BFGS: 102 15:47:38 -284.808953 0.194627 BFGS: 103 15:47:39 -284.809105 0.192292 BFGS: 104 15:47:40 -284.809500 0.187843 BFGS: 105 15:47:40 -284.810513 0.179024 BFGS: 106 15:47:41 -284.813018 0.161163 BFGS: 107 15:47:42 -284.818685 0.126280 BFGS: 108 15:47:43 -284.827321 0.094864 BFGS: 109 15:47:43 -284.834861 0.090843 BFGS: 110 15:47:44 -284.841527 0.075113 BFGS: 111 15:47:45 -284.846743 0.050718 BFGS: 112 15:47:45 -284.849713 0.018489 BFGS: 113 15:47:46 -284.850067 0.003836 BFGS: 114 15:47:47 -284.850079 0.001489 BFGS: 115 15:47:47 -284.850081 0.000043 BFGS: 116 15:47:48 -284.850081 0.000006 BFGS: 117 15:47:49 -284.850081 0.000001 BFGS: 118 15:47:50 -284.850081 0.000000 BFGS: 119 15:47:51 -284.850081 0.000000 BFGS: 120 15:47:52 -284.850081 0.000000 Minimization converged after 120 steps. Maximum force component: 3.1392582333603178e-09 eV/Angstrom Maximum stress component: 9.599957242235621e-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 2.17017490e-33 0.00000000e+00] [3.27989746e-01 9.63513336e-34 0.00000000e+00] [0.00000000e+00 6.72010254e-01 1.49512554e-33] [0.00000000e+00 3.27989746e-01 1.51946479e-33] [1.45704002e-33 0.00000000e+00 6.72010254e-01] [1.48028586e-33 0.00000000e+00 3.27989746e-01] [1.59765914e-01 5.00000000e-01 0.00000000e+00] [8.40234086e-01 5.00000000e-01 4.86785060e-36] [0.00000000e+00 1.59765914e-01 5.00000000e-01] [7.68839181e-36 8.40234086e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 1.59765914e-01] [5.00000000e-01 5.98050216e-35 8.40234086e-01] [5.00000000e-01 1.59765914e-01 0.00000000e+00] [5.00000000e-01 8.40234086e-01 3.19887325e-35] [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] [3.84274478e-36 6.60989586e-01 6.60989586e-01] [6.17623898e-37 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 4.96057156e-35 6.60989586e-01] [6.60989586e-01 4.17244337e-36 3.39010414e-01] [3.39010414e-01 3.98700144e-35 6.60989586e-01] [3.39010414e-01 0.00000000e+00 3.39010414e-01] [6.60989586e-01 6.60989586e-01 1.76169831e-35] [3.39010414e-01 6.60989586e-01 2.54982650e-35] [6.60989586e-01 3.39010414e-01 0.00000000e+00] [3.39010414e-01 3.39010414e-01 0.00000000e+00] [2.38043051e-36 8.49381463e-01 8.49381463e-01] [1.17174850e-35 1.50618537e-01 8.49381463e-01] [7.07101200e-36 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 1.43717494e-35 1.50618537e-01] [1.50618537e-01 1.20537253e-35 8.49381463e-01] [1.50618537e-01 0.00000000e+00 1.50618537e-01] [8.49381463e-01 8.49381463e-01 2.82798939e-35] [1.50618537e-01 8.49381463e-01 2.82798939e-35] [8.49381463e-01 1.50618537e-01 1.04311084e-35] [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 7.18587469e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.50389878e-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([[12.982028729330068, 4.965661220909894e-32, -6.514241777673302e-33], [1.2506978799062083e-31, 12.982028729330068, -4.8440754015039693e-20], [7.30554016108301e-33, -4.8440754015090345e-20, 12.982028729330068]]) forces = [[ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [-3.11815477e-09 -2.13354478e-31 -4.26708956e-31] [ 3.11815477e-09 -2.13354478e-31 2.13354478e-31] [-4.26708956e-31 -3.11815477e-09 1.14216350e-29] [ 2.13354478e-31 3.11815477e-09 -1.17416668e-29] [-2.13354478e-31 1.12082806e-29 -3.11815477e-09] [-2.13354478e-31 -1.14216350e-29 3.11815477e-09] [-1.45370747e-09 -5.56047053e-42 7.29454706e-43] [ 1.45370747e-09 5.56047053e-42 -7.29454706e-43] [-1.40051212e-41 -1.45370747e-09 5.42432061e-30] [ 1.40051212e-41 1.45370747e-09 -5.42432061e-30] [-8.18063073e-43 5.42432061e-30 -1.45370747e-09] [ 8.18063073e-43 -5.42432061e-30 1.45370747e-09] [-1.40051212e-41 -1.45370747e-09 5.42432061e-30] [ 1.40051212e-41 1.45370747e-09 -5.42432061e-30] [-1.45370747e-09 -5.56047053e-42 7.29454706e-43] [ 1.45370747e-09 5.56047053e-42 -7.29454706e-43] [ 8.18063073e-43 -5.42432061e-30 1.45370747e-09] [-8.18063073e-43 5.42432061e-30 -1.45370747e-09] [ 1.33346548e-32 -2.38568122e-09 -2.38568122e-09] [ 6.66732745e-33 2.38568122e-09 -2.38568122e-09] [-2.66693097e-32 -2.38568122e-09 2.38568122e-09] [-2.00019823e-32 2.38568122e-09 2.38568122e-09] [-2.38568122e-09 8.91519425e-30 -2.38568122e-09] [-2.38568122e-09 -8.90185959e-30 2.38568122e-09] [ 2.38568122e-09 8.87519028e-30 -2.38568122e-09] [ 2.38568122e-09 -8.92852890e-30 2.38568122e-09] [-2.38568122e-09 -2.38568122e-09 8.91852791e-30] [ 2.38568122e-09 -2.38568122e-09 8.90185959e-30] [-2.38568122e-09 2.38568122e-09 -8.92519524e-30] [ 2.38568122e-09 2.38568122e-09 -8.92852890e-30] [ 8.45954876e-42 8.29626688e-10 8.29626688e-10] [-7.52581626e-42 -8.29626688e-10 8.29626688e-10] [ 7.52581626e-42 8.29626688e-10 -8.29626688e-10] [-8.45954876e-42 -8.29626688e-10 -8.29626688e-10] [ 8.29626688e-10 -3.09564423e-30 8.29626688e-10] [ 8.29626688e-10 3.09564423e-30 -8.29626688e-10] [-8.29626688e-10 -3.09564423e-30 8.29626688e-10] [-8.29626688e-10 3.09564423e-30 -8.29626688e-10] [ 8.29626688e-10 8.29626688e-10 -3.09564423e-30] [-8.29626688e-10 8.29626688e-10 -3.09564423e-30] [ 8.29626688e-10 -8.29626688e-10 3.09564423e-30] [-8.29626688e-10 -8.29626688e-10 3.09564423e-30] [ 7.98037600e-42 9.46605078e-10 -2.02452189e-09] [-1.02589453e-41 -9.46605078e-10 -2.02452189e-09] [ 1.02589453e-41 9.46605078e-10 2.02452189e-09] [-7.98037600e-42 -9.46605078e-10 2.02452189e-09] [-2.02452189e-09 -3.53213390e-30 9.46605078e-10] [-2.02452189e-09 3.53213390e-30 -9.46605078e-10] [ 2.02452189e-09 -3.53213390e-30 9.46605078e-10] [ 2.02452189e-09 3.53213390e-30 -9.46605078e-10] [ 9.46605078e-10 -2.02452189e-09 7.55424047e-30] [-9.46605078e-10 -2.02452189e-09 7.55424047e-30] [ 9.46605078e-10 2.02452189e-09 -7.55424047e-30] [-9.46605078e-10 2.02452189e-09 -7.55424047e-30] [ 9.46605078e-10 -7.55424047e-30 2.02452189e-09] [-9.46605078e-10 -7.55424047e-30 2.02452189e-09] [ 9.46605078e-10 7.55424047e-30 -2.02452189e-09] [-9.46605078e-10 7.55424047e-30 -2.02452189e-09] [-2.00370828e-41 -2.02452189e-09 -9.46605078e-10] [-1.89716929e-41 -2.02452189e-09 9.46605078e-10] [ 1.89716929e-41 2.02452189e-09 -9.46605078e-10] [ 2.00370828e-41 2.02452189e-09 9.46605078e-10] [-2.02452189e-09 9.46605078e-10 -3.53213390e-30] [-2.02452189e-09 -9.46605078e-10 3.53213390e-30] [ 2.02452189e-09 9.46605078e-10 -3.53213390e-30] [ 2.02452189e-09 -9.46605078e-10 3.53213390e-30] [ 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] [ 1.08526967e-09 4.15118594e-42 -2.66693097e-32] [-1.08526967e-09 2.66693097e-32 1.33346549e-32] [-2.16688141e-32 1.08526967e-09 -4.04954281e-30] [-6.66732744e-33 -1.08526967e-09 4.07621212e-30] [ 1.33346549e-32 -4.07621212e-30 1.08526967e-09] [ 1.50014867e-32 4.06287746e-30 -1.08526967e-09] [-4.34616353e-10 -4.34616353e-10 -4.34616353e-10] [ 4.34616353e-10 4.34616353e-10 -4.34616353e-10] [ 4.34616353e-10 -4.34616353e-10 4.34616353e-10] [-4.34616353e-10 4.34616353e-10 4.34616353e-10] [-4.34616353e-10 -4.34616353e-10 4.34616353e-10] [ 4.34616353e-10 4.34616353e-10 4.34616353e-10] [-4.34616353e-10 4.34616353e-10 -4.34616353e-10] [ 4.34616353e-10 -4.34616353e-10 -4.34616353e-10] [ 8.74424254e-10 8.74424254e-10 3.13925823e-09] [-8.74424254e-10 -8.74424254e-10 3.13925823e-09] [-8.74424254e-10 8.74424254e-10 -3.13925823e-09] [ 8.74424254e-10 -8.74424254e-10 -3.13925823e-09] [ 3.13925823e-09 8.74424254e-10 8.74424254e-10] [ 3.13925823e-09 -8.74424254e-10 -8.74424254e-10] [-3.13925823e-09 -8.74424254e-10 8.74424254e-10] [-3.13925823e-09 8.74424254e-10 -8.74424254e-10] [ 8.74424254e-10 3.13925823e-09 8.74424254e-10] [-8.74424254e-10 3.13925823e-09 -8.74424254e-10] [ 8.74424254e-10 -3.13925823e-09 -8.74424254e-10] [-8.74424254e-10 -3.13925823e-09 8.74424254e-10] [ 8.74424254e-10 8.74424254e-10 -3.13925823e-09] [-8.74424254e-10 -8.74424254e-10 -3.13925823e-09] [ 8.74424254e-10 -8.74424254e-10 3.13925823e-09] [-8.74424254e-10 8.74424254e-10 3.13925823e-09] [ 8.74424254e-10 3.13925823e-09 -8.74424254e-10] [-8.74424254e-10 3.13925823e-09 8.74424254e-10] [-8.74424254e-10 -3.13925823e-09 -8.74424254e-10] [ 8.74424254e-10 -3.13925823e-09 8.74424254e-10] [ 3.13925823e-09 8.74424254e-10 -8.74424254e-10] [ 3.13925823e-09 -8.74424254e-10 8.74424254e-10] [-3.13925823e-09 8.74424254e-10 8.74424254e-10] [-3.13925823e-09 -8.74424254e-10 -8.74424254e-10]] stress = [-9.59995724e-12 -9.59995724e-12 -9.59995724e-12 4.72847586e-31 7.31366945e-35 5.48247776e-53] energy per atom = -2.6375007507682806 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0