../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C O
AB2_oP6_58_a_g
a b/a c/a x2 y2
standard
1
4.4189 1.0212949 1.1326801 0.18508616 0.18705273
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000