../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
Al O
A2B3_mC20_12_2i_3i
a b/a c/a beta x1 z1 x2 z2 x3 z3 x4 z4 x5 z5
standard
1
11.9225 0.24655903 0.99797022 152.4512 0.29419729 0.20388809 0.65906542 0.3169181 0.051302439 0.89070315 0.23811337 0.74311365 0.3937345 0.5672471
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000