../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Te Zn AB_hP4_186_b_b a c/a z1 z2 standard 1 4.3308 1.6442459 0.87467779 0.50032221 Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000