../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Au
A3B8_hR44_167_bce_2c2f
a c/a x2 x3 x4 x5 x6 y6 z6 x7 y7 z7
standard
1
7.8105146 5.4347116 0.15613556 0.21753425 0.93687697 0.56692249 0.64901599 0.0043751172 0.29495592 0.61541438 0.35227113 0.87563146
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000