../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
Cr O
A3B8_mC22_12_ai_2ij
a b/a c/a beta x2 z2 x3 z3 x4 z4 x5 y5 z5
standard
1
9.0149 0.60556412 0.73225438 87.435 0.63851282 0.2380902 0.21404257 0.9229841 0.31394113 0.53260005 0.5325712 0.25448344 0.1983325
Sim_LAMMPS_Buckingham_WangShinShin_2019_CrO__SM_295921111679_000