../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Cl H
AB_tI4_139_a_b
a c/a
standard
1
5.2412 0.586049
Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000