../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Mn O
AB2_tP6_136_a_f
a c/a x2
standard
1
4.4766 0.65942903 0.30575883
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000