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: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== 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 14:48:33 -8.752711 0.7176 BFGS: 1 14:48:33 -8.771599 0.5085 BFGS: 2 14:48:33 -8.788912 0.0606 BFGS: 3 14:48:33 -8.789135 0.0043 BFGS: 4 14:48:33 -8.789136 0.0000 BFGS: 5 14:48:33 -8.789136 0.0000 BFGS: 6 14:48:33 -8.789136 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 7.48594307274855e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Fe'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.858665941576921, 9.345135666172293e-33, -2.900383625692001e-33], [4.31600096526087e-33, 2.858665941576921, -6.410444395549876e-19], [1.6122390111518504e-32, -6.41044439555002e-19, 2.858665941576921]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 7.48594307e-15 7.48594307e-15 7.48594307e-15 1.67649641e-30 4.71097341e-62 -2.51251864e-63] energy per atom = -4.394568183333649 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0