../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C H
AB_cI16_199_a_a
a x1 x2
standard
1
4.3206 0.088952473 0.44338402
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000