element(s): ['Ni'] AFLOW prototype label: A_cF4_225_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.5048'] model name: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[3.5048, 0, 0], [0, 3.5048, 0], [0, 0, 3.5048]] ========================================= Step Time Energy fmax BFGS: 0 17:07:55 -17.795816 0.1619 BFGS: 1 17:07:55 -17.796863 0.1399 BFGS: 2 17:07:55 -17.799999 0.0028 BFGS: 3 17:07:55 -17.800000 0.0001 BFGS: 4 17:07:55 -17.800000 0.0000 BFGS: 5 17:07:55 -17.800000 0.0000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.1744866716755043e-14 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[3.5199999217936844, 8.581525663292387e-33, -4.54993534414256e-33], [5.8362445688819236e-33, 3.5199999217936844, 5.916386239181964e-20], [-1.470777681216748e-32, 5.916386239183015e-20, 3.5199999217936844]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.17448667e-14 -1.17448667e-14 -1.17448667e-14 -8.47473348e-31 1.03624851e-35 4.24430276e-52] energy per atom = -4.450000003577374 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0