../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Au Cu AB_oI40_74_5e_5e a b/a c/a z1 z2 z3 z4 z5 z6 z7 z8 z9 z10 standard 1 4.0749 0.87332204 10.101205 0.77498935 0.675153 0.87483193 0.57516893 0.97365054 0.27489507 0.17506105 0.37475932 0.075451031 0.47648355 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000