../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_cI36_217_g_d a x2 z2 standard 1 8.9828 0.14770987 0.51621582 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000