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_ZhouJohnsonWadley_2004NISTretabulation_Ni__MO_593762436933_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 18:05:09 -8.730720 0.1474 BFGS: 1 18:05:09 -8.731585 0.1267 BFGS: 2 18:05:09 -8.734110 0.0055 BFGS: 3 18:05:09 -8.734115 0.0002 BFGS: 4 18:05:09 -8.734115 0.0000 BFGS: 5 18:05:09 -8.734115 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.0231720053400439e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.8061040147672887, 7.323505597834995e-33, -2.1470735731966105e-33], [8.605889092807661e-33, 2.8061040147672887, -1.458737288106338e-19], [-1.0860462696896723e-32, -1.4587372881062506e-19, 2.8061040147672887]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.02317201e-12 -1.02317201e-12 -1.02317201e-12 3.08999281e-29 -8.15289221e-36 6.96583475e-52] energy per atom = -4.367057552553129 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0