../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce Si A2B7_oC18_65_h_ajp a b/a c/a x2 y3 x4 y4 standard 1 10.0574 0.71697457 0.4563406 0.79240401 0.32560394 0.62887904 0.80748962 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000