../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Si A_cI16_206_c a x1 standard 1 6.657 0.10135586 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000