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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 16:19:40 -8.605302 0.101109 BFGS: 1 16:19:40 -8.605733 0.098054 BFGS: 2 16:19:40 -8.604542 0.183528 BFGS: 3 16:19:40 -8.609347 0.044905 BFGS: 4 16:19:40 -8.609889 0.014871 BFGS: 5 16:19:40 -8.609946 0.002434 BFGS: 6 16:19:40 -8.609947 0.000101 BFGS: 7 16:19:40 -8.609947 0.000001 BFGS: 8 16:19:40 -8.609947 0.000000 Minimization converged after 8 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.6407521689382422e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.748100917525116, -6.667976019490851e-33, 4.4656626111421846e-33], [-6.406628440438727e-33, 2.748100917525116, 1.6662837913320008e-18], [5.437273149503072e-33, 1.6662837913320016e-18, 2.748100917525116]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-1.64075217e-11 -1.64075217e-11 -1.64075217e-11 2.42732203e-27 -6.80054727e-35 1.03763902e-50] energy per atom = -4.304973476823579 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0