../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Fe H O
ABC2_oC16_36_a_a_2a
a b/a c/a y1 z1 y2 z2 y3 z3 y4 z4
standard
1
2.633 5.8265097 1.5396126 0.31177993 0.3029871 0.44130153 0.30658408 0.71424813 0.30320746 0.91560978 0.30522136
Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001