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 14:48:22 -8.567976 0.5846 BFGS: 1 14:48:22 -8.581073 0.4615 BFGS: 2 14:48:22 -8.602864 0.0179 BFGS: 3 14:48:22 -8.602890 0.0031 BFGS: 4 14:48:22 -8.602890 0.0000 BFGS: 5 14:48:22 -8.602890 0.0000 BFGS: 6 14:48:22 -8.602890 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2094948254164746e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.85003656872438, -5.787260527877659e-33, 7.60041329391992e-33], [-2.3046767137885975e-32, 2.85003656872438, 1.1275137329760099e-19], [5.725621831035721e-33, 1.1275137329759957e-19, 2.85003656872438]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.20949483e-14 1.20949483e-14 1.20949483e-14 -1.71741065e-30 -2.52911364e-34 3.38592232e-50] energy per atom = -4.301445192905846 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0