../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Fe H O
ABC2_oC16_63_c_c_2c
a b/a c/a y1 y2 y3 y4
standard
1
2.6315 5.8955729 1.5413262 0.68902481 0.56106889 0.28513007 0.086422486
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003