../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C N
AB2_tI6_119_a_f
a c/a z2
standard
1
2.4686 2.426274 0.1381395
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000