../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cI72_230_g_d a y2 standard 1 10.224 0.71763534 Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000