../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
S
A_mP28_14_7e
a b/a c/a beta x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
10.8037 0.77601192 0.96535446 97.3409 0.37273041 0.1912782 0.55547686 0.44767069 0.37878627 0.66514659 0.22341489 0.11024227 0.63961418 0.31827724 0.56674086 0.6096735 0.084837467 0.28772778 0.58497939 0.22067413 0.60142018 0.75529584 0.069101214 0.41862764 0.73995732
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000