../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C
A_cF240_202_h2i
a y1 z1 x2 y2 z2 x3 y3 z3
standard
1
14.9028 0.54695135 0.26622863 0.59565647 0.79644753 0.57883118 0.67452263 0.34523288 0.048719901
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000