../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Na O AB_hP12_189_fg_eh a c/a z1 x2 x3 z4 standard 1 6.2557 0.71744169 0.17081783 0.36754429 0.70022554 0.32711252 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000