../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C
A_mC16_12_4i
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4
standard
1
9.1921 0.27467064 0.45133321 82.971 0.94271241 0.87955035 0.44178398 0.65364615 0.78567809 0.059238811 0.27133365 0.58534651
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000