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_KimLee_2017_MgPb__MO_325675357262_002 ==== 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 16:09:08 -3.985287 0.310268 BFGS: 1 16:09:08 -3.989062 0.257263 BFGS: 2 16:09:08 -3.996823 0.023364 BFGS: 3 16:09:08 -3.996882 0.001538 BFGS: 4 16:09:08 -3.996882 0.000008 BFGS: 5 16:09:08 -3.996882 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.819342763575665e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.9267721893963703, 7.219791015586389e-33, 9.09646854913556e-35], [3.0157543244224034e-33, 3.9267721893963703, 3.91859190127054e-19], [-1.4137416411259143e-35, 3.9185919012705415e-19, 3.9267721893963703]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.81934276e-11 -9.81934276e-11 -9.81934276e-11 -1.52974375e-28 1.66535877e-35 1.17913270e-53] energy per atom = -1.9984410812233664 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0