../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Te Zn AB_oC8_63_c_c a b/a c/a y1 y2 standard 1 5.547 1.1929151 0.96641428 0.77585229 0.36738694 Sim_LAMMPS_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_001