../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al C A4B3_hR7_166_2c_ac a c/a x2 x3 x4 standard 1 3.3544538 7.492051 0.70650219 0.87016163 0.78319433 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000