../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C O
AB2_tP6_136_a_f
a c/a x2
standard
2
4.4994 1.0871005 0.1845804
4.3112 1.1971377 0.80719967
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000