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_CuMo__MO_380272712420_001 ==== 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 16:04:37 -6.910856 0.247641 BFGS: 1 16:04:37 -6.913224 0.198328 BFGS: 2 16:04:37 -6.917287 0.010876 BFGS: 3 16:04:37 -6.917299 0.000440 BFGS: 4 16:04:37 -6.917299 0.000001 BFGS: 5 16:04:37 -6.917299 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.664781830124662e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.85097929016955, 2.7026025093782324e-33, -1.4345047110826408e-37], [-1.4413195234892511e-33, 2.8509792901695503, -8.393684596126305e-21], [1.3459228275501243e-36, -8.393684596126307e-21, 2.85097929016955]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.66478183e-12 -6.66478183e-12 -6.66478183e-12 3.44672313e-30 -2.52744134e-34 7.36018208e-53] energy per atom = -3.4586495278695026 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0