../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Fe H O
ABC2_oP16_59_e_e_2e
a b/a c/a y1 z1 y2 z2 y3 z3 y4 z4
standard
1
3.4327 4.4647362 0.90034084 0.12532699 0.89160732 0.91948303 0.57399695 0.85398728 0.55326005 0.0042997695 0.081902709
Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001