element(s): ['Ni', 'O'] AFLOW prototype label: AB2_hR3_166_a_c Parameter names: ['a', 'c/a', 'x2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.7981117', '5.0094109', '0.26592275'] model name: Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Ni', 'O'] representative atom coordinates = [[0. 0. 0. ] [0. 0. 0.26592275]] spacegroup = 166 cell = [[2.7981, 0, 0], [-1.39905, 2.4232256823292, 0], [0, 0, 14.0169]] =========================================