../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
C Fe
AB2_oP12_62_c_2c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
1
5.7358 0.51555145 1.279281 0.8026762 0.1703805 0.16541283 0.04518592 0.49285668 0.81631433
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003