element(s): ['Ni', 'O'] AFLOW prototype label: AB2_mC6_12_a_i Parameter names: ['a', 'b/a', 'c/a', 'beta', 'x2', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['4.8573', '0.57746073', '1.1863999', '124.705', '0.53120423', '0.79949168'] 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. ] [0.53120423 0. 0.79949168]] spacegroup = 12 cell = [[4.8573, 0, 0], [0, 2.8049, 0], [-3.2810005455647, 0, 4.7374831619758]] =========================================