../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Mn O
A5B8_mC26_12_ahi_2ij
a b/a c/a beta y2 x3 z3 x4 z4 x5 z5 x6 y6 z6
standard
1
10.4947 0.55864389 0.95207105 152.0172 0.24118357 0.43613637 0.15682204 0.3074951 0.41095815 0.82646452 0.43256942 0.28472464 0.27387493 0.89647021
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000