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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 16:05:54 -8.567976 0.584635 BFGS: 1 16:05:54 -8.581073 0.461484 BFGS: 2 16:05:54 -8.602864 0.017917 BFGS: 3 16:05:54 -8.602890 0.003053 BFGS: 4 16:05:54 -8.602890 0.000018 BFGS: 5 16:05:54 -8.602890 0.000000 BFGS: 6 16:05:54 -8.602890 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.3680751673153325e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.850036568724966, -1.318895931260311e-34, -1.916046090323868e-36], [-1.7223063509185902e-34, 2.850036568724966, 4.650891873129742e-24], [4.2318438040588987e-35, 4.6508918731176185e-24, 2.850036568724966]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.36807517e-14 1.36807517e-14 1.36807517e-14 -3.56682474e-31 -6.32278411e-35 1.95701710e-51] energy per atom = -4.301445192903371 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0