../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce Si AB_oP8_62_c_c a b/a c/a x1 z1 x2 z2 standard 1 8.3751 0.47564805 0.71704218 0.18021127 0.88503389 0.034207367 0.38109953 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000