../../td/EquilibriumCrystalStructure__TD_457028483760_002/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_2012_CdZnTe__SM_409035133405_001