../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Mn O
AB2_tI24_87_h_2h
a c/a x1 y1 x2 y2 x3 y3
standard
1
9.922 0.29521266 0.833105 0.3488701 0.79589836 0.15593053 0.54317819 0.16504152
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000