../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner 
O
A_mC16_12_2ij
a b/a c/a beta x1 z1 x2 z2 x3 y3 z3
standard
1
8.8714 0.72872376 0.90691435 149.5346 0.035798797 0.8320927 0.27785058 0.13359954 0.37903066 0.26389389 0.84925787
Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000