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: EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005 ==== 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 17:49:22 -6.481729 0.1715 BFGS: 1 17:49:22 -6.482896 0.1458 BFGS: 2 17:49:22 -6.485218 0.0471 BFGS: 3 17:49:22 -6.485421 0.0068 BFGS: 4 17:49:22 -6.485425 0.0002 BFGS: 5 17:49:22 -6.485425 0.0000 BFGS: 6 17:49:22 -6.485425 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1837549284325264e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.894747293842268, -1.3322473596768138e-33, -1.0477094884532037e-34], [-4.249498954676869e-33, 2.8947472938422685, -3.3246164998781126e-18], [1.4060147736474331e-32, -3.324616499878108e-18, 2.894747293842268]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.18375493e-11 -1.18375493e-11 -1.18375493e-11 1.41039962e-27 -1.22579515e-34 -4.29366052e-51] energy per atom = -3.2427126262687596 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0