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: MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002 ==== 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 20:40:58 -8.594335 0.552390 BFGS: 1 20:40:59 -8.605819 0.416775 BFGS: 2 20:40:59 -8.619875 0.041016 BFGS: 3 20:41:00 -8.619999 0.002639 BFGS: 4 20:41:00 -8.620000 0.000015 BFGS: 5 20:41:00 -8.620000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.133949672519643e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.80592229749961, -3.690617066319374e-33, -5.823938653284916e-35], [5.090205473837656e-33, 2.80592229749961, -1.1275820816173858e-19], [-9.242486850543539e-33, -1.1275820816172974e-19, 2.80592229749961]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-5.13394967e-10 -5.13394967e-10 -5.13394967e-10 -1.07217893e-25 -3.58773723e-34 -8.11239226e-51] energy per atom = -4.309999987368707 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0