../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cd Te Zn AB2C_tI16_122_b_d_a a c/a x3 standard 1 6.3869 1.9785655 0.77600184 Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000