element(s): ['Cu'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8755'] model name: MEAM_LAMMPS_WangOhLee_2020_CuCo__MO_849011491644_002 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.8755, 0, 0], [0, 2.8755, 0], [0, 0, 2.8755]] ========================================= Step Time Energy fmax BFGS: 0 17:51:13 -6.910856 0.2476 BFGS: 1 17:51:13 -6.913224 0.1983 BFGS: 2 17:51:13 -6.917287 0.0109 BFGS: 3 17:51:13 -6.917299 0.0004 BFGS: 4 17:51:13 -6.917299 0.0000 BFGS: 5 17:51:13 -6.917299 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.752580740362673e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8509792672126575, 3.162408742713356e-33, 1.678288123565283e-34], [2.255391094907471e-33, 2.850979267212658, -4.916536166983488e-20], [-1.7299308738595957e-34, -4.9165361669834677e-20, 2.8509792672126575]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.75258074e-12 -6.75258074e-12 -6.75258074e-12 -3.36507611e-30 1.89558103e-34 8.54293923e-53] energy per atom = -3.458649527904178 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0