element(s): ['Co', 'Fe'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.9062'] model name: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Fe'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.9062, 0, 0], [0, 2.9062, 0], [0, 0, 2.9062]] ========================================= Step Time Energy fmax BFGS: 0 12:24:27 -8.567976 0.584635 BFGS: 1 12:24:27 -8.581073 0.461484 BFGS: 2 12:24:27 -8.602864 0.017917 BFGS: 3 12:24:27 -8.602890 0.003053 BFGS: 4 12:24:27 -8.602890 0.000018 BFGS: 5 12:24:27 -8.602890 0.000000 BFGS: 6 12:24:27 -8.602890 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2174877861977083e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8500365687243807, 1.6921852339406441e-32, 1.3065916509653412e-33], [1.80441870453233e-32, 2.8500365687243807, 1.6563423628540654e-19], [-1.0714668546021438e-32, 1.6563423628541413e-19, 2.8500365687243807]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [1.21748779e-14 1.21748779e-14 1.21748779e-14 1.29071657e-30 6.32278411e-35 9.98551233e-52] energy per atom = -4.301445192905843 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0