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_WangZhuXiang_2018pot2_Pb__MO_961101070310_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 -8.149609 0.515449 BFGS: 1 15:25:08 -8.159139 0.340470 BFGS: 2 15:25:08 -8.165848 0.010110 BFGS: 3 15:25:08 -8.165856 0.002320 BFGS: 4 15:25:08 -8.165857 0.000044 BFGS: 5 15:25:08 -8.165857 0.000000 BFGS: 6 15:25:08 -8.165857 0.000000 Minimization converged after 6 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.4788349695245923e-13 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [1.64571124e-48 5.00000000e-01 5.00000000e-01] [5.00000000e-01 9.65055275e-36 5.00000000e-01] [5.00000000e-01 5.00000000e-01 9.65055275e-36]] cellpar = Cell([[4.989170034098642, 1.6449477841881798e-33, -3.451311131819153e-33], [2.841240573444886e-32, 4.989170034098642, 5.917676536628192e-19], [4.011931519886736e-32, 5.917676536627737e-19, 4.989170034098642]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.47883497e-13 -4.47883497e-13 -4.47883497e-13 -8.66557388e-29 8.76882772e-35 -5.21217646e-51] energy per atom = -2.0414641286033683 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0