element(s): ['Co', 'Ni'] 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: ['2.8488'] model name: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.8488, 0, 0], [0, 2.8488, 0], [0, 0, 2.8488]] ========================================= Step Time Energy fmax BFGS: 0 11:26:54 -8.602222 0.232923 BFGS: 1 11:26:54 -8.604338 0.190965 BFGS: 2 11:26:54 -8.608710 0.000247 BFGS: 3 11:26:54 -8.608710 0.000012 BFGS: 4 11:26:54 -8.608710 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7802380158861858e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8751378068781857, -2.2491033412669468e-35, 2.7080832764790908e-36], [2.2494952486233053e-35, 2.8751378068781857, 5.717558024615827e-22], [-1.3320639247982253e-33, 5.717558024615744e-22, 2.8751378068781857]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.78023802e-10 -1.78023802e-10 -1.78023802e-10 -1.95595485e-31 -1.55321614e-35 -1.45989107e-56] energy per atom = -4.304354944043681 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0