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_ZhouJohnsonWadley_2004_Cu__MO_127245782811_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 17:50:09 -6.968224 0.6064 BFGS: 1 17:50:09 -6.982329 0.4782 BFGS: 2 17:50:09 -7.004408 0.0284 BFGS: 3 17:50:09 -7.004485 0.0005 BFGS: 4 17:50:09 -7.004485 0.0000 BFGS: 5 17:50:09 -7.004485 0.0000 BFGS: 6 17:50:09 -7.004485 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.6572123006560067e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cu', 'Cu'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.93186457975995, 3.7280092012039666e-34, 1.408561991988328e-32], [6.634785397347965e-33, 2.9318645797599503, -1.5131604657719868e-21], [1.0917794872240502e-33, -1.51316046576789e-21, 2.93186457975995]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-4.65721230e-14 -4.65721230e-14 -4.65721230e-14 -1.97618505e-29 7.16972751e-34 2.33510636e-49] energy per atom = -3.5022426476190227 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0