../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
C Fe
AB2_oP6_58_a_g
a b/a c/a x2 y2
standard
1
4.5942 1.0976013 0.64781681 0.25388226 0.65830555
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003