element(s): ['O', 'Si'] AFLOW prototype label: A2B_hP12_194_cg_f Parameter names: ['a', 'c/a', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['5.2773', '1.629337', '0.43768244'] model name: Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['O', 'O', 'Si'] representative atom coordinates = [[0.33333333 0.66666667 0.25 ] [0.5 0. 0. ] [0.33333333 0.66666667 0.43768244]] spacegroup = 194 cell = [[5.2773, 0, 0], [-2.63865, 4.5702758633916, 0], [0, 0, 8.5985]] =========================================