../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Cl Na O ABC4_cF24_216_a_b_e a x3 standard 1 7.4021 0.11403545 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000