Si2 
1.0
3.8759939317806418e+00 4.5422222117260477e-16 1.9422319540287762e-16 
1.9379969658903209e+00 3.3567092098363647e+00 -2.7821409522153688e-17 
1.9379969658903209e+00 1.1189030699454550e+00 3.1647357929955078e+00 
Si 
2 
Cartesian
   3.8628253507    4.4424027625    3.0855503641
   1.9219940130    1.1681085861    0.7935794920
