../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cl A_oC8_64_f a b/a c/a y1 z1 standard 1 7.7388 0.55409107 1.0826097 0.61207445 0.10553855 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000