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_KangSaLee_2009_ZrAgCu__MO_813575892799_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 19:36:48 -6.910856 0.247642 BFGS: 1 19:36:48 -6.913224 0.198328 BFGS: 2 19:36:48 -6.917287 0.010873 BFGS: 3 19:36:48 -6.917299 0.000441 BFGS: 4 19:36:48 -6.917299 0.000001 BFGS: 5 19:36:48 -6.917299 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.798891050229995e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8509792602142587, -3.338294826234053e-33, -2.1869199634717476e-33], [9.002469691328494e-33, 2.850979260214259, -5.708223273315121e-20], [-1.9205244765849372e-33, -5.708223273315974e-20, 2.8509792602142587]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.79889105e-12 -6.79889105e-12 -6.79889105e-12 -5.67083803e-28 -5.05488278e-34 -1.71261141e-50] energy per atom = -3.458649527867059 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0