../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Te A_oP4_55_g a b/a c/a x1 y1 standard 1 9.1236 0.49631724 0.34973037 0.12449164 0.27231993 Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000