../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Bi A_oC16_64_df a b/a c/a x1 y2 z2 standard 1 11.501 0.58716633 0.57660203 0.79487952 0.81733111 0.33572074 MEAM_LAMMPS_ZhouDickelBaskes_2021_Bi__MO_221877348962_000