../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe N A2B_mC18_12_ij_ah a b/a c/a beta y2 x3 z3 x4 y4 z4 standard 1 5.0056 1.8078752 0.9515143 87.7621 0.34000189 0.32671845 0.24674595 0.34882063 0.31977862 0.24166185 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003