../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP18_162_fgi_k a c/a x3 x4 z4 standard 1 8.7851 0.48775768 0.1665803 0.3405303 0.16296505 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000