../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cP12_205_c_a a x2 standard 1 4.4868 0.34394406 Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000