../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_cF96_227_cf_e a x2 x3 standard 1 15.289 0.060414581 0.2479451 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000