../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Te A_hP3_152_a a c/a x1 standard 1 4.5029 1.3245464 0.73005065 Sim_LAMMPS_BOP_ZhouFosterVanSwol_2014_CdTeSe__SM_567065323363_000