../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Cu
AB3_oP12_47_al_ejoz
a b/a c/a x3 x4 y5 x6 y6
standard
1
7.19 1.1569541 0.35947149 0.66369082 0.68034657 0.74517024 0.16606445 0.75480173
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000