../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Mn
A_cP20_213_cd
a x1 y2
standard
1
7.2837 0.060019627 0.20228336
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000