../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C
A_hP2_191_c
a c/a
standard
2
2.4677 1.6162824
2.4647 1.3417049
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000