../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cl A_tP16_138_j a c/a x1 y1 z1 standard 1 10.9051 0.79965337 0.34452449 0.8973264 0.39507294 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000