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_AcklandTichyVitek_1987_Cu__MO_179025990738_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 17:49:21 -6.880325 1.0454 BFGS: 1 17:49:21 -6.924362 0.9061 BFGS: 2 17:49:21 -6.991093 0.1432 BFGS: 3 17:49:21 -6.992266 0.0298 BFGS: 4 17:49:21 -6.992318 0.0006 BFGS: 5 17:49:21 -6.992318 0.0000 BFGS: 6 17:49:21 -6.992318 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1392097215100385e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.960708793963642, 4.3356699450585406e-35, -4.747336856939877e-33], [4.285524170325918e-35, 2.9607087939636423, -3.4834650414251616e-19], [-1.219472401111545e-34, -3.483465041425215e-19, 2.960708793963642]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.13920972e-11 -1.13920972e-11 -1.13920972e-11 2.64560980e-27 1.24502125e-34 -2.84253096e-50] energy per atom = -3.4961587942280783 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0