element(s): ['Pb'] 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: ['5.0157'] model name: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pb__MO_988703794028_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Pb'] representative atom coordinates = [[0 0 0]] spacegroup = 225 cell = [[5.0157, 0, 0], [0, 5.0157, 0], [0, 0, 5.0157]] ========================================= Step Time Energy fmax BFGS: 0 15:25:08 -8.054172 0.315330 BFGS: 1 15:25:08 -8.058268 0.290818 BFGS: 2 15:25:08 -8.079967 0.010426 BFGS: 3 15:25:08 -8.079984 0.000851 BFGS: 4 15:25:08 -8.079984 0.000000 BFGS: 5 15:25:08 -8.079984 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 1.4067586614047478e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [6.91228338e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 0.00000000e+00 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.949361361435363, 5.779003770653281e-33, 6.750099445127327e-34], [4.1499638546590713e-33, 4.949361361435363, 2.538997723601241e-19], [5.4097255030410136e-34, 2.5389977236012435e-19, 4.949361361435363]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-1.40675866e-12 -1.40675866e-12 -1.40675866e-12 8.53177861e-30 -6.01817408e-62 2.94873517e-61] energy per atom = -2.0199960890072126 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0