../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_tI8_139_h a c/a x1 standard 1 6.6881 0.57703982 0.8213634 Sim_LAMMPS_Vashishta_BroughtonMeliVashishta_1997_SiO__SM_422553794879_000