../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner 
O Si
A2B_tI24_82_2g_g
a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3
standard
1
8.8464 0.57415446 0.7098581 0.73062541 0.53483226 0.50330805 0.79536838 0.17467696 0.17694735 0.32452774 0.76675232
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000