../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Mn
A_cI58_217_ac2g
a x2 x3 z3 x4 z4
standard
1
10.3576 0.17674192 0.86113268 0.45245414 0.092385884 0.7173459
Sim_LAMMPS_Buckingham_SayleCatlowMaphanga_2005_MnO__SM_757974494010_000