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_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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 12:27:52 -8.734910 0.426964 BFGS: 1 12:27:52 -8.741955 0.342546 BFGS: 2 12:27:52 -8.753969 0.026228 BFGS: 3 12:27:52 -8.754034 0.001487 BFGS: 4 12:27:52 -8.754034 0.000006 BFGS: 5 12:27:52 -8.754034 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.2875733441945174e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.807230324473521, -4.481691202541868e-33, -2.104348714891581e-33], [-1.3753269052886364e-33, 2.807230324473521, -3.310026509852409e-20], [-2.741070522676337e-33, -3.3100265098526485e-20, 2.807230324473521]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.28757334e-10 -1.28757334e-10 -1.28757334e-10 -1.51811722e-27 9.12391352e-34 -5.53402186e-50] energy per atom = -4.377017051334188 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0