../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C H N
ABC_cP12_198_a_a_a
a x1 x2 x3
standard
1
4.0306 0.57630872 0.41971079 0.1125953
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000