../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al Pd
AB2_oP12_62_c_2c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
1
5.4893 0.74322773 1.4206001 0.6990628 0.89428418 0.16466362 0.93266666 0.040548312 0.29194873
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000