element(s): ['Al', 'Mg'] AFLOW prototype label: A14B13_cI54_229_ef_ah Parameter names: ['a', 'x2', 'x3', 'y4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['10.1979', '0.30143022', '0.82851949', '0.65593532'] model name: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Mg', 'Mg'] representative atom coordinates = [[0.30143022 0. 0. ] [0.32851949 0.32851949 0.32851949] [0. 0. 0. ] [0. 0.65593532 0.65593532]] spacegroup = 229 cell = [[10.1979, 0, 0], [0, 10.1979, 0], [0, 0, 10.1979]] ========================================= Step Time Energy fmax BFGS: 0 13:43:37 -118.877956 0.5278 BFGS: 1 13:43:37 -118.978861 0.4956 BFGS: 2 13:43:38 -119.498138 0.3321 BFGS: 3 13:43:38 -119.804108 0.2571 BFGS: 4 13:43:39 -119.943051 0.3830 BFGS: 5 13:43:39 -119.982472 0.3996 BFGS: 6 13:43:40 -120.079312 0.3674 BFGS: 7 13:43:40 -120.183512 0.1724 BFGS: 8 13:43:41 -120.221958 0.1586 BFGS: 9 13:43:41 -120.233821 0.1611 BFGS: 10 13:43:41 -120.235216 0.1597 BFGS: 11 13:43:42 -120.254037 0.1423 BFGS: 12 13:43:42 -120.271253 0.1263 BFGS: 13 13:43:42 -120.287885 0.1111 BFGS: 14 13:43:43 -120.303677 0.0964 BFGS: 15 13:43:43 -120.318154 0.0821 BFGS: 16 13:43:43 -120.330898 0.0754 BFGS: 17 13:43:44 -120.341622 0.0753 BFGS: 18 13:43:44 -120.350168 0.0730 BFGS: 19 13:43:45 -120.356466 0.0681 BFGS: 20 13:43:45 -120.360550 0.0597 BFGS: 21 13:43:46 -120.362559 0.0465 BFGS: 22 13:43:46 -120.363355 0.0368 BFGS: 23 13:43:46 -120.364950 0.0142 BFGS: 24 13:43:47 -120.365367 0.0084 BFGS: 25 13:43:47 -120.365454 0.0031 BFGS: 26 13:43:48 -120.365464 0.0011 BFGS: 27 13:43:48 -120.365467 0.0003 BFGS: 28 13:43:49 -120.365467 0.0001 BFGS: 29 13:43:49 -120.365467 0.0000 BFGS: 30 13:43:50 -120.365467 0.0000 BFGS: 31 13:43:50 -120.365467 0.0000 BFGS: 32 13:43:51 -120.365467 0.0000 Minimization converged after 32 steps. Maximum force component: 1.1516010208332344e-09 eV/Angstrom Maximum stress component: 1.6199144034550785e-11 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', '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 = [[3.04712270e-01 4.27839182e-37 5.47273377e-36] [6.95287730e-01 3.87118816e-37 8.20119375e-36] [4.35471234e-17 3.04712270e-01 0.00000000e+00] [4.35471234e-17 6.95287730e-01 0.00000000e+00] [4.35471234e-17 0.00000000e+00 3.04712270e-01] [4.35471234e-17 0.00000000e+00 6.95287730e-01] [8.04712270e-01 5.00000000e-01 5.00000000e-01] [1.95287730e-01 5.00000000e-01 5.00000000e-01] [5.00000000e-01 8.04712270e-01 5.00000000e-01] [5.00000000e-01 1.95287730e-01 5.00000000e-01] [5.00000000e-01 5.00000000e-01 8.04712270e-01] [5.00000000e-01 5.00000000e-01 1.95287730e-01] [3.29886622e-01 3.29886622e-01 3.29886622e-01] [6.70113378e-01 6.70113378e-01 3.29886622e-01] [6.70113378e-01 3.29886622e-01 6.70113378e-01] [3.29886622e-01 6.70113378e-01 6.70113378e-01] [3.29886622e-01 3.29886622e-01 6.70113378e-01] [6.70113378e-01 6.70113378e-01 6.70113378e-01] [3.29886622e-01 6.70113378e-01 3.29886622e-01] [6.70113378e-01 3.29886622e-01 3.29886622e-01] [8.29886622e-01 8.29886622e-01 8.29886622e-01] [1.70113378e-01 1.70113378e-01 8.29886622e-01] [1.70113378e-01 8.29886622e-01 1.70113378e-01] [8.29886622e-01 1.70113378e-01 1.70113378e-01] [8.29886622e-01 8.29886622e-01 1.70113378e-01] [1.70113378e-01 1.70113378e-01 1.70113378e-01] [8.29886622e-01 1.70113378e-01 8.29886622e-01] [1.70113378e-01 8.29886622e-01 8.29886622e-01] [4.35471234e-17 7.35167241e-65 0.00000000e+00] [5.00000000e-01 5.00000000e-01 5.00000000e-01] [0.00000000e+00 6.70052730e-01 6.70052730e-01] [4.35471234e-17 3.29947270e-01 6.70052730e-01] [0.00000000e+00 6.70052730e-01 3.29947270e-01] [0.00000000e+00 3.29947270e-01 3.29947270e-01] [6.70052730e-01 0.00000000e+00 6.70052730e-01] [6.70052730e-01 1.86387039e-35 3.29947270e-01] [3.29947270e-01 7.45548156e-35 6.70052730e-01] [3.29947270e-01 0.00000000e+00 3.29947270e-01] [6.70052730e-01 6.70052730e-01 0.00000000e+00] [3.29947270e-01 6.70052730e-01 0.00000000e+00] [6.70052730e-01 3.29947270e-01 1.86387039e-35] [3.29947270e-01 3.29947270e-01 3.72774078e-35] [5.00000000e-01 1.70052730e-01 1.70052730e-01] [5.00000000e-01 8.29947270e-01 1.70052730e-01] [5.00000000e-01 1.70052730e-01 8.29947270e-01] [5.00000000e-01 8.29947270e-01 8.29947270e-01] [1.70052730e-01 5.00000000e-01 1.70052730e-01] [1.70052730e-01 5.00000000e-01 8.29947270e-01] [8.29947270e-01 5.00000000e-01 1.70052730e-01] [8.29947270e-01 5.00000000e-01 8.29947270e-01] [1.70052730e-01 1.70052730e-01 5.00000000e-01] [8.29947270e-01 1.70052730e-01 5.00000000e-01] [1.70052730e-01 8.29947270e-01 5.00000000e-01] [8.29947270e-01 8.29947270e-01 5.00000000e-01]] cellpar = Cell([[10.332960680458005, -3.032395067197371e-32, 3.9456321868519675e-32], [-1.706162888318541e-32, 10.332960680458005, 2.9316717710971804e-18], [-4.474521188638508e-32, 2.9316717710972016e-18, 10.332960680458005]]) forces = [[ 1.15160102e-09 -1.39925801e-32 -1.85738545e-32] [-1.15160102e-09 1.12769831e-32 1.06136311e-32] [ 1.59204467e-32 1.15160102e-09 3.26719439e-28] [-5.30681557e-33 -1.15160102e-09 -3.26722092e-28] [-1.59204467e-32 3.26712805e-28 1.15160102e-09] [-5.30681557e-33 -3.26720766e-28 -1.15160102e-09] [ 1.15160102e-09 1.06136311e-32 -1.59204467e-32] [-1.15160102e-09 1.06136311e-32 1.06136311e-32] [ 1.06136311e-32 1.15160102e-09 3.26722092e-28] [ 1.06136311e-32 -1.15160102e-09 -3.26722092e-28] [-1.06136311e-32 3.26722092e-28 1.15160102e-09] [ 3.18408934e-32 -3.26722092e-28 -1.15160102e-09] [-1.43735562e-10 -1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 -1.43735562e-10 1.43735562e-10] [-1.43735562e-10 1.43735562e-10 1.43735562e-10] [-1.43735562e-10 -1.43735562e-10 1.43735562e-10] [ 1.43735562e-10 1.43735562e-10 1.43735562e-10] [-1.43735562e-10 1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 -1.43735562e-10 -1.43735562e-10] [-1.43735562e-10 -1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 -1.43735562e-10 1.43735562e-10] [-1.43735562e-10 1.43735562e-10 1.43735562e-10] [-1.43735562e-10 -1.43735562e-10 1.43735562e-10] [ 1.43735562e-10 1.43735562e-10 1.43735562e-10] [-1.43735562e-10 1.43735562e-10 -1.43735562e-10] [ 1.43735562e-10 -1.43735562e-10 -1.43735562e-10] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 0.00000000e+00 0.00000000e+00 0.00000000e+00] [ 3.73135470e-33 1.71741909e-10 1.71741909e-10] [-1.06136311e-32 -1.71741909e-10 1.71741909e-10] [ 1.52570948e-32 1.71741909e-10 -1.71741909e-10] [-5.14097758e-33 -1.71741909e-10 -1.71741909e-10] [ 1.71741909e-10 4.87412775e-29 1.71741909e-10] [ 1.71741909e-10 -4.87227036e-29 -1.71741909e-10] [-1.71741909e-10 4.87416092e-29 1.71741909e-10] [-1.71741909e-10 -4.87303322e-29 -1.71741909e-10] [ 1.71741909e-10 1.71741909e-10 4.87346440e-29] [-1.71741909e-10 1.71741909e-10 4.87306639e-29] [ 1.71741909e-10 -1.71741909e-10 -4.87319906e-29] [-1.71741909e-10 -1.71741909e-10 -4.87266838e-29] [ 3.48259772e-33 1.71741909e-10 1.71741909e-10] [-7.96022336e-33 -1.71741909e-10 1.71741909e-10] [ 1.06136311e-32 1.71741909e-10 -1.71741909e-10] [ 1.06136311e-32 -1.71741909e-10 -1.71741909e-10] [ 1.71741909e-10 4.87545445e-29 1.71741909e-10] [ 1.71741909e-10 -4.87207551e-29 -1.71741909e-10] [-1.71741909e-10 4.87372974e-29 1.71741909e-10] [-1.71741909e-10 -4.87306639e-29 -1.71741909e-10] [ 1.71741909e-10 1.71741909e-10 4.87512278e-29] [-1.71741909e-10 1.71741909e-10 4.87346440e-29] [ 1.71741909e-10 -1.71741909e-10 -4.87134167e-29] [-1.71741909e-10 -1.71741909e-10 -4.87319906e-29]] stress = [1.61991440e-11 1.61991440e-11 1.61991440e-11 2.42600770e-29 2.11463633e-59 4.93883389e-60] energy per atom = -2.2289901286682383 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0