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_001 ==== 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 15:34:19 -8.132110 0.343559 BFGS: 1 15:34:19 -8.136951 0.313982 BFGS: 2 15:34:19 -8.159943 0.016498 BFGS: 3 15:34:19 -8.160000 0.001315 BFGS: 4 15:34:19 -8.160000 0.000005 BFGS: 5 15:34:19 -8.160000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.7729604789292054e-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, 4.3613148057864845e-33, 2.047759573460237e-33], [6.957223793953626e-36, 4.949747467891676, 2.616328564206313e-19], [5.1857728964663867e-33, 2.6163285642062446e-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 -7.41726154e-27 -1.96523464e-35 -5.94954973e-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