../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Pt
A21B8_tI116_88_a5f_2f
a c/a x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8
standard
1
12.9952 0.82509696 0.40725568 0.8202655 0.39809635 0.24818494 0.83829379 0.17669856 0.41052557 0.80317945 0.024993866 0.78128983 0.45943242 0.099293474 0.49042636 0.96846349 0.64523092 0.36937644 0.84294456 0.77939314 0.71471928 0.34870482 0.91680281
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000