element(s): ['Al', 'O'] AFLOW prototype label: A2B3_hR10_167_c_e Parameter names: ['a', 'c/a', 'x1', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8085156', '2.7290184', '0.64785085', '0.94382702'] model name: Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'O'] representative atom coordinates = [[0. 0. 0.64785085] [0.30617298 0. 0.25 ]] spacegroup = 167 cell = [[4.8085, 0, 0], [-2.40425, 4.1642831540975, 0], [0, 0, 13.1225]] =========================================