element(s): ['Pb'] AFLOW prototype label: A_cI2_229_a Parameter names: ['a'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['3.975'] 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 = 229 cell = [[3.975, 0, 0], [0, 3.975, 0], [0, 0, 3.975]] ========================================= Step Time Energy fmax BFGS: 0 16:22:30 -3.985287 0.310268 BFGS: 1 16:22:30 -3.989062 0.257263 BFGS: 2 16:22:30 -3.996823 0.023364 BFGS: 3 16:22:30 -3.996882 0.001538 BFGS: 4 16:22:30 -3.996882 0.000008 BFGS: 5 16:22:30 -3.996882 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.823183355958751e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.9267721865328538, -6.570156470000378e-33, -1.9505116315109343e-34], [-7.193240657658768e-34, 3.9267721865328538, 9.5019766009137e-18], [-1.0647118647880312e-34, 9.5019766009137e-18, 3.9267721865328538]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.82318336e-11 -9.82318336e-11 -9.82318336e-11 1.79871837e-27 6.66143510e-35 -5.27557322e-52] energy per atom = -1.9984410810630202 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0