../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner 
O Si
A2B_mP12_3_ab3e_2e
a b/a c/a beta y1 y2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7
standard
1
4.3229 0.98706887 2.0445534 115.5185 0.85559742 0.33233973 0.6034166 0.22462083 0.71379868 0.75942292 0.28200961 0.13425466 0.074679176 0.76899283 0.70697311 0.043015736 0.011411827 0.17873324 0.24490463 0.41583632 0.69426597
Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000