../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_hP12_194_cg_f a c/a z2 standard 1 5.2773 1.629337 0.43768244 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000