../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_cI36_217_g_d a x2 z2 standard 1 8.9828 0.14770987 0.51621582 Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000