../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pt AB3_tP16_127_f_egh a c/a z1 z2 x3 x4 standard 1 5.4728 1.4433928 0.25312095 0.23998573 0.22569591 0.30865809 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000