element(s): ['Cu'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.6146'] model name: EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.6146, 0, 0], [0, 3.6146, 0], [0, 0, 3.6146]] ========================================= Step Time Energy fmax BFGS: 0 16:53:01 -14.159998 0.0034 BFGS: 1 16:53:01 -14.159998 0.0030 BFGS: 2 16:53:01 -14.160000 0.0000 BFGS: 3 16:53:01 -14.160000 0.0000 Minimization converged after 3 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.831123482841038e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu', 'Cu', 'Cu'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.6149999753034763, -7.915469721494791e-39, -1.3875450551988814e-37], [1.1100127571485212e-36, 3.6149999753034763, -1.3781902066368556e-37], [1.387449790155584e-37, -1.0312986503347307e-37, 3.6149999753034763]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-6.83112348e-11 -6.83112348e-11 -6.83112348e-11 2.99903035e-32 4.91250079e-36 -7.00038068e-57] energy per atom = -3.5400000022930094 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0