../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C O
AB2_cP12_205_a_c
a x2
standard
1
5.8857 0.11528659
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000