../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ce Cl AB3_hP8_176_c_h a c/a x2 y2 standard 1 7.5694 0.57384997 0.39006965 0.30552942 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000