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_PunYamakovMishin_2015_NiCo__MO_010613863288_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 18:05:11 -8.762665 0.1618 BFGS: 1 18:05:11 -8.763675 0.1295 BFGS: 2 18:05:11 -8.765426 0.0052 BFGS: 3 18:05:11 -8.765428 0.0002 BFGS: 4 18:05:11 -8.765428 0.0000 BFGS: 5 18:05:11 -8.765428 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 6.438658985872465e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.768746603274227, 2.967679688121796e-33, 3.1320047915822026e-34], [1.4837423780105305e-33, 2.768746603274227, 3.077495968739644e-21], [1.0748346491474623e-32, 3.0774959687366757e-21, 2.768746603274227]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-6.43865899e-13 -6.43865899e-13 -6.43865899e-13 -4.95208321e-29 -6.69950625e-35 4.76272763e-51] energy per atom = -4.382714137016211 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0