../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_tI12_122_d_a a c/a x2 standard 1 5.0585 1.4508649 0.91281159 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000