../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C H N
ABC_oI6_44_a_a_a
a b/a c/a z1 z2 z3
standard
1
4.8608 0.85171165 0.88876317 0.0039103766 0.75166255 0.27212708
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000