element(s): ['Na', 'O'] AFLOW prototype label: AB_hP12_189_fg_eh Parameter names: ['a', 'c/a', 'z1', 'x2', 'x3', 'z4'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['6.2557', '0.71744169', '0.17081783', '0.36754429', '0.70022554', '0.32711252'] model name: Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Na', 'Na', 'O', 'O'] representative atom coordinates = [[0.36754429 0. 0. ] [0.70022554 0. 0.5 ] [0. 0. 0.17081783] [0.33333333 0.66666667 0.32711252]] spacegroup = 189 cell = [[6.2557, 0, 0], [-3.12785, 5.4175951184543, 0], [0, 0, 4.4881]] =========================================