../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C O
AB2_oC12_64_a_f
a b/a c/a y2 z2
standard
1
5.3891 0.93438608 1.3091054 0.8226447 0.10836104
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000