Si2 
1.0
3.9199611412986028e+00 3.9680706926141701e-16 3.1385708605605388e-16 
1.9599805706493014e+00 3.3947859302124308e+00 9.1812481131022572e-17 
1.9599805706493014e+00 1.1315953100708107e+00 3.2006348692398556e+00 
Si 
2 
Cartesian
   1.9673902684    1.1561469111    3.1231127727
   1.9800262665    1.1106394742    0.7538866610
