../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cI48_206_ad_c a x2 x3 standard 1 8.5832 0.60767507 0.17528056 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000