../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Au
AB2_oP12_62_c_2c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
1
6.8254 0.47604536 1.3256219 0.86916363 0.77658635 0.35146542 0.42268694 0.91104227 0.38585797
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000