../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Al Cu
AB_mC20_12_a2i_c2i
a b/a c/a beta x3 z3 x4 z4 x5 z5 x6 z6
standard
1
12.0597 0.34021576 0.82160419 144.9237 0.30561113 0.64931574 0.61701724 0.73779099 0.98226788 0.22468053 0.66335433 0.053963391
Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000