element(s): ['Co', 'V'] 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: ['2.961'] model name: MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_001 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'V'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.961, 0, 0], [0, 2.961, 0], [0, 0, 2.961]] ========================================= Step Time Energy fmax BFGS: 0 17:39:16 -9.772963 1.431294 BFGS: 1 17:39:16 -9.852568 1.158975 BFGS: 2 17:39:17 -9.968446 0.350236 BFGS: 3 17:39:17 -9.977769 0.070906 BFGS: 4 17:39:17 -9.978138 0.003269 BFGS: 5 17:39:17 -9.978139 0.000029 BFGS: 6 17:39:17 -9.978139 0.000000 BFGS: 7 17:39:18 -9.978139 0.000000 Minimization converged after 7 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.946046626971157e-15 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'V'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.829803046711402, -7.27199643062266e-33, -3.917901106516453e-34], [-8.72196424269243e-33, 2.829803046711402, -6.765341201784111e-19], [6.120110212091181e-34, -6.7653412017840205e-19, 2.829803046711402]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 3.94604663e-15 3.94604663e-15 3.94604663e-15 -4.15617856e-32 1.53924602e-33 -8.24700207e-51] energy per atom = -4.989069276931516 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0