element(s): ['Ni'] 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: ['2.7844'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 229 cell = [[2.7844, 0, 0], [0, 2.7844, 0], [0, 0, 2.7844]] ========================================= Step Time Energy fmax BFGS: 0 18:04:05 -8.760982 0.1616 BFGS: 1 18:04:05 -8.761990 0.1294 BFGS: 2 18:04:05 -8.763738 0.0052 BFGS: 3 18:04:05 -8.763741 0.0002 BFGS: 4 18:04:05 -8.763741 0.0000 BFGS: 5 18:04:05 -8.763741 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.431268927181258e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7687549763879957, 2.966820981128102e-33, 1.0409123508676368e-33], [4.1031223591553205e-33, 2.7687549763879957, 3.728059798529478e-21], [-1.2321768310089198e-33, 3.728059798531678e-21, 2.7687549763879957]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.43126893e-13 -6.43126893e-13 -6.43126893e-13 1.63760590e-30 3.34973286e-35 1.07589123e-52] energy per atom = -4.354608938326132 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0