../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C N
A3B4_cI28_220_a_c
a x2
standard
1
5.4491 0.21602395
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000