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: MEAM_LAMMPS_LeeShimBaskes_2003_Pb__MO_019208265157_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 15:25:21 -8.132110 0.343559 BFGS: 1 15:25:21 -8.136951 0.313982 BFGS: 2 15:25:21 -8.159943 0.016498 BFGS: 3 15:25:22 -8.160000 0.001315 BFGS: 4 15:25:22 -8.160000 0.000005 BFGS: 5 15:25:22 -8.160000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.772960478929203e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0. 0. 0. ] [0. 0.5 0.5] [0.5 0. 0.5] [0.5 0.5 0. ]] cellpar = Cell([[4.949747467891676, 4.3613148050134194e-33, 2.0056618522780465e-33], [6.957224180486454e-36, 4.949747467891676, 2.6163285642063087e-19], [1.7778413539428332e-33, 2.616328564206278e-19, 4.949747467891676]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.77296048e-11 -4.77296048e-11 -4.77296048e-11 2.00940528e-27 -1.96523464e-35 -1.30023724e-51] energy per atom = -2.040000000070823 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0