../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_oP12_33_2a_a
a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
1
5.097 1.3947224 1.0023936 0.9872638 0.45381962 0.29653077 0.84060886 0.79860566 0.45389665 0.95649465 0.37519346 0.99958257
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000