../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
C Fe
AB4_mP10_11_e_4e
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5
standard
1
6.9852 0.4089933 0.87735498 102.649 0.73977627 0.13501917 0.19064933 0.12620311 0.47972681 0.8350018 0.081032821 0.67902396 0.66972022 0.5039733
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003