../../td/EquilibriumCrystalStructure__TD_457028483760_000/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_2013_CdZnTe__SM_010061267051_000