../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tI24_98_ce_f a c/a z1 x2 x3 standard 1 5.6727 1.9958221 0.88359933 0.71828716 0.86129501 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000