../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ce Si A5B3_tI32_140_cl_ah a c/a x3 x4 z4 standard 1 7.9274 1.771842 0.38714745 0.17929425 0.14560079 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000