../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Mn O
AB2_oP12_62_c_2c
a b/a c/a x1 z1 x2 z2 x3 z3
standard
1
9.396 0.31193061 0.49579608 0.13541774 0.96951647 0.27729841 0.66770153 0.96711304 0.21218044
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000