../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cd Se AB_hP4_186_b_b a c/a z1 z2 standard 1 4.3712 1.6339907 0.9998869 0.3751131 Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000