element(s): ['Cu', 'H'] AFLOW prototype label: AB_hP4_186_b_b Parameter names: ['a', 'c/a', 'z1', 'z2'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['2.8556', '1.5904188', '0.99605448', '0.37894552'] model name: Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cu', 'H'] representative atom coordinates = [[0.33333333 0.66666667 0.99605448] [0.33333333 0.66666667 0.37894552]] spacegroup = 186 cell = [[2.8556, 0, 0], [-1.4278, 2.4730221430468, 0], [0, 0, 4.5416]] =========================================