../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Te A_oC2_65_a a b/a c/a standard 1 3.027 2.7281797 0.99362405 Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000