../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cd Te AB_hP4_186_b_b a c/a z1 z2 standard 1 4.6643 1.6375662 6.1292041e-05 0.37493871 Sim_LAMMPS_BOP_WardZhouWong_2013_CdZnTe__SM_010061267051_000