../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C O
AB2_oP24_19_2a_4a
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6
standard
1
3.9925 1.7008641 1.7889793 0.50569647 0.81728322 0.41739587 0.55850285 0.69200965 0.085166902 0.82945764 0.50568715 0.58338846 0.67811818 0.77858844 0.25137073 0.25761526 0.67061924 0.44218739 0.71709881 0.78938876 0.9352991
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000