Si2 
1.0
3.8941336913491704e+00 3.9212415095319620e-16 3.9312439733795492e-16 
1.9470668456745852e+00 3.3724187024412520e+00 -5.0964812512107699e-17 
1.9470668456745852e+00 1.1241395674804175e+00 3.1795468446620623e+00 
Si 
2 
Cartesian
   1.9663013239    3.3746987610    0.0396812840
   1.9747583210    1.0611556989    0.7790244917
