../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H
AB_cI16_199_a_a
a x1 x2
standard
1
4.3206 0.088952473 0.44338402
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000