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 17:11:50 -8.054171 0.3154 BFGS: 1 17:11:50 -8.058269 0.2908 BFGS: 2 17:11:50 -8.079967 0.0105 BFGS: 3 17:11:50 -8.079984 0.0009 BFGS: 4 17:11:50 -8.079984 0.0000 BFGS: 5 17:11:50 -8.079984 0.0000 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] [6.91228009e-50 5.00000000e-01 5.00000000e-01] [5.00000000e-01 2.43204235e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 0.00000000e+00]] cellpar = Cell([[4.949363716935609, 4.5929436587644305e-33, -1.6888108459155472e-33], [5.008335685264045e-33, 4.949363716935609, 2.110731195268188e-19], [8.29075930542477e-33, 2.1107311952681024e-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 -4.40878417e-28 3.84870575e-60 7.89947671e-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