../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Te A_oP4_26_2a a b/a c/a y1 z1 y2 z2 standard 1 3.1928 1.4212917 2.8468429 0.52848987 0.76041348 0.98792313 0.0095865201 Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000