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_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004 ==== 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 16:02:13 -7.022969 0.056526 BFGS: 1 16:02:13 -7.023092 0.044367 BFGS: 2 16:02:13 -7.023286 0.000419 BFGS: 3 16:02:13 -7.023286 0.000003 BFGS: 4 16:02:13 -7.023286 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.7455048663253214e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8701417556318276, 1.7767181693911402e-34, 1.0037135185265154e-34], [1.251067917877954e-33, 2.870141755631828, -4.120244859633702e-22], [1.2551718928103142e-34, -4.120244859631466e-22, 2.8701417556318276]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.74550487e-11 1.74550487e-11 1.74550487e-11 -1.03588843e-27 1.94828526e-35 -1.77937812e-51] energy per atom = -3.511643232121961 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0