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_PanBorovikovMendelev_2108_AgNi__MO_222110751402_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 15:22:32 -17.538853 0.139894 BFGS: 1 15:22:32 -17.539636 0.121384 BFGS: 2 15:22:32 -17.542035 0.000911 BFGS: 3 15:22:32 -17.542035 0.000006 BFGS: 4 15:22:32 -17.542035 0.000000 Minimization converged after 4 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 3.883389410244908e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Ni', 'Ni', 'Ni', 'Ni'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.43108375e-49 5.00000000e-01 5.00000000e-01] [5.00000000e-01 4.27680776e-37 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[3.518121115767854, -2.3340620358961983e-33, 8.186700878242704e-35], [2.334048195851477e-33, 3.518121115767854, -1.891234660966304e-20], [-1.618380654956654e-32, -1.891234660964379e-20, 3.518121115767854]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-3.88338941e-11 -3.88338941e-11 -3.88338941e-11 -2.58686095e-26 -2.45360804e-59 5.66326780e-60] energy per atom = -4.385508769565722 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0