../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Cu A4B9_cP52_215_ei_3efgi a x1 x2 x3 x4 x5 x6 x7 z7 x8 z8 standard 1 8.7121 0.12027485 0.8306729 0.32467611 0.60540785 0.35587781 0.85443377 0.80973715 0.53486432 0.3160954 0.030944113 Sim_LAMMPS_BOP_ZhouWardFoster_2018_AlCuH__SM_834012669168_000