../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Mn O
A2B3_cI80_206_ad_e
a x2 x3 y3 z3
standard
1
9.6137 0.28489479 0.91374299 0.13054237 0.14390931
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000