../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C O
AB_cP8_198_a_a
a x1 x2
standard
1
5.6402 0.45400088 0.57106038
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000