../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe N A3B_mC16_5_3c_ab a b/a c/a beta y1 y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 5.0441 1.6486985 0.9333677 89.7996 0.99729305 0.33680448 0.15640773 0.82717537 0.73488825 0.16041101 0.5059339 0.76292818 0.68145679 0.66649196 0.74766639 LJ_ElliottAkerson_2015_Universal__MO_959249795837_003