../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Mn O
AB_hP4_186_b_b
a c/a z1 z2
standard
1
3.4684 1.5908488 0.50190901 0.88452099
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000