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_2004_Pb__MO_116920074573_005 ==== 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 16:35:23 -8.054171 0.315377 BFGS: 1 16:35:23 -8.058269 0.290780 BFGS: 2 16:35:23 -8.079967 0.010451 BFGS: 3 16:35:23 -8.079984 0.000863 BFGS: 4 16:35:23 -8.079984 0.000000 BFGS: 5 16:35:23 -8.079984 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 2.605855772385183e-12 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.76491204e-49 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([[4.949363716935609, -7.44380834024073e-33, -1.3398305309474095e-32], [-1.6327335326626293e-33, 4.949363716935609, 2.1108685635376605e-19], [9.336455712537726e-33, 2.1108685635374277e-19, 4.949363716935609]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [ 2.60585577e-12 2.60585577e-12 2.60585577e-12 -4.03500701e-28 4.52739494e-60 2.35722862e-61] energy per atom = -2.0199970683501722 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0