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_EtesamiBaskesLaradji_2018_PbSn__MO_162736908871_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 15:25:21 -8.132112 0.343532 BFGS: 1 15:25:21 -8.136953 0.313960 BFGS: 2 15:25:21 -8.159943 0.016494 BFGS: 3 15:25:21 -8.160000 0.001314 BFGS: 4 15:25:21 -8.160000 0.000005 BFGS: 5 15:25:21 -8.160000 0.000000 Minimization converged after 5 steps. Maximum force component: 0.0 eV/Angstrom Maximum stress component: 4.7694531594461855e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Pb', 'Pb', 'Pb', 'Pb'] basis = [[0.00000000e+00 0.00000000e+00 0.00000000e+00] [2.15992006e-51 5.00000000e-01 5.00000000e-01] [5.00000000e-01 7.59954310e-38 5.00000000e-01] [5.00000000e-01 5.00000000e-01 7.59954310e-38]] cellpar = Cell([[4.9497474678919415, 2.055098116906269e-34, -9.472555528476866e-36], [-1.02350008201997e-34, 4.9497474678919415, -5.29709829041788e-21], [3.6035221375141707e-34, -5.297098290418088e-21, 4.9497474678919415]]) forces = [[0. 0. 0.] [0. 0. 0.] [0. 0. 0.] [0. 0. 0.]] stress = [-4.76945316e-11 -4.76945316e-11 -4.76945316e-11 9.17669662e-28 -1.57218771e-34 2.16697256e-50] energy per atom = -2.040000000070782 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0