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_AcklandVitek_1990_Cu__MO_642748370624_000 ==== 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 -6.902284 0.2705 BFGS: 1 17:49:22 -6.905212 0.2343 BFGS: 2 17:49:22 -6.913088 0.0341 BFGS: 3 17:49:22 -6.913234 0.0033 BFGS: 4 17:49:22 -6.913236 0.0000 BFGS: 5 17:49:22 -6.913236 0.0000 BFGS: 6 17:49:22 -6.913236 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 5.160054375642955e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8381632990508217, 2.479165082377252e-32, 6.635620571563618e-33], [2.3525287955145247e-32, 2.838163299050822, 1.6978410789929022e-20], [-1.1923100417135504e-32, 1.6978410789940057e-20, 2.8381632990508217]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 5.16005438e-14 5.16005438e-14 5.16005438e-14 -5.54215336e-31 3.46762438e-61 -3.44722971e-62] energy per atom = -3.4566177601356745 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0