../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C N
A3B2_cP20_221_j_g
a x1 y2
standard
1
5.0912 0.25716395 0.15598414
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000