../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce Si A3B2_tP10_127_ah_g a c/a x2 x3 standard 2 7.8772 0.54948459 0.60954378 0.1776152 7.643 0.52450608 0.61370809 0.18027753 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000