../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Te Zn AB_hP6_152_a_b a c/a x1 x2 standard 1 4.3218 2.2523948 0.49274662 0.48326343 Sim_LAMMPS_BOP_WardZhouWong_2012_CdZnTe__SM_409035133405_001