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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 17:37:54 -8.602222 0.232923 BFGS: 1 17:37:54 -8.604338 0.190965 BFGS: 2 17:37:54 -8.608710 0.000247 BFGS: 3 17:37:54 -8.608710 0.000012 BFGS: 4 17:37:54 -8.608710 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.780244096307064e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8751378068810145, -1.2315809221833025e-33, -3.15411605007867e-34], [-2.8130578025899156e-33, 2.8751378068810145, 9.187933331333025e-22], [8.239381779847464e-35, 9.187933331334496e-22, 2.8751378068810145]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.78024410e-10 -1.78024410e-10 -1.78024410e-10 3.73412144e-28 3.10643229e-35 -5.83796686e-53] energy per atom = -4.304354944044419 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0