../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C
A_tI8_139_h
a c/a x1
standard
1
4.3798 0.57333668 0.81976373
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000