../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Fe O
A2B3_oC20_63_ac_cf
a b/a c/a y2 y3 y4 z4
standard
1
2.8526 3.2612704 2.4208091 0.2525892 0.90672289 0.36062205 0.93798884
Sim_LAMMPS_Buckingham_Vaari_2015_FeO__SM_672759489721_000