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_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_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 18:53:10 -3.985310 0.310263 BFGS: 1 18:53:10 -3.989085 0.257263 BFGS: 2 18:53:10 -3.996847 0.023365 BFGS: 3 18:53:10 -3.996905 0.001538 BFGS: 4 18:53:10 -3.996906 0.000008 BFGS: 5 18:53:10 -3.996906 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 9.825231937790699e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb'] basis = [[0. 0. 0. ] [0.5 0.5 0.5]] cellpar = Cell([[3.92676933843684, -1.412891479430835e-32, -1.322533012907681e-32], [-2.9326573601242366e-32, 3.92676933843684, 2.3394564467269733e-18], [1.6858595823253722e-32, 2.339456446726949e-18, 3.92676933843684]]) forces = [[0. 0. 0.] [0. 0. 0.]] stress = [-9.82523194e-11 -9.82523194e-11 -9.82523194e-11 4.30204695e-28 4.16340298e-36 -5.56891600e-53] energy per atom = -1.998452848583513 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0