../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al H
AB3_oP24_58_ag_c2gh
a b/a c/a x3 y3 x4 y4 x5 y5 x6 y6 z6
standard
1
5.3988 1.360469 1.0653293 0.28890902 0.58601857 0.60031131 0.64005599 0.17779494 0.80239021 0.20393796 0.086471435 0.20045861
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000