../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C N
AB2_tI24_122_d_e
a c/a x1 x2 y2 z2
standard
1
6.479 0.53031332 0.94297342 0.43079052 0.31107343 0.28538343
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000