../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
Mn O
AB2_oP12_59_e_2e
a b/a c/a y1 z1 y2 z2 y3 z3
standard
1
2.9621 5.4510989 0.95864421 0.86651058 0.0021825066 0.34228074 0.49876444 0.97811897 0.50030145
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000