element(s): ['Co', 'Ni'] AFLOW prototype label: AB_cP2_221_a_b Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8488'] model name: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Co', 'Ni'] representative atom coordinates = [[0. 0. 0. ] [0.5 0.5 0.5]] spacegroup = 221 cell = [[2.8488, 0, 0], [0, 2.8488, 0], [0, 0, 2.8488]] ========================================= Step Time Energy fmax BFGS: 0 14:50:07 -8.666997 0.5840 BFGS: 1 14:50:07 -8.680305 0.4786 BFGS: 2 14:50:07 -8.703650 0.0856 BFGS: 3 14:50:07 -8.704305 0.0089 BFGS: 4 14:50:07 -8.704313 0.0002 BFGS: 5 14:50:07 -8.704313 0.0000 BFGS: 6 14:50:07 -8.704313 0.0000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1230819791902803e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Co', 'Ni'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[2.7903352475790597, 2.9420003513256865e-33, -1.614714868129541e-32], [2.1362845648713312e-32, 2.7903352475790597, -6.971656672422545e-19], [-2.8843195508308598e-33, -6.971656672422634e-19, 2.7903352475790597]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [ 1.12308198e-12 1.12308198e-12 1.12308198e-12 -1.75403131e-28 3.99621209e-61 2.16939967e-60] energy per atom = -4.329957726524607 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0