../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Mn O
A3B4_oP28_57_de_cde
a b/a c/a x1 x2 y2 x3 y3 x4 y4 z4 x5 y5 z5
standard
1
3.0637 3.2717303 3.184646 0.13587177 0.80710636 0.64405155 0.30331759 0.79710643 0.71196081 0.11540624 0.93028183 0.71037636 0.47127171 0.88754378
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000