No title                                
           1
    12.000000    0.000000    0.000000
     0.000000   12.000000    0.000000
     0.000000    0.000000   15.000000
   Si   O    C    H    N 
     2     7     6    20     1
Direct configuration=     1
   0.37058271  0.36647599  0.34887433
   0.45092020  0.52562806  0.50376203
   0.41664344  0.42027552  0.44135834
   0.35742798  0.62222827  0.48376307
   0.45400993  0.48936595  0.60843193
   0.57748303  0.56975096  0.48484702
   0.42593127  0.44330241  0.26941324
   0.40689879  0.23513960  0.34124801
   0.23452555  0.36123722  0.34382572
   0.35465512  0.72820046  0.52629103
   0.36682894  0.43150914  0.65322227
   0.61495595  0.61616765  0.40239852
   0.40358041  0.42609350  0.17695087
   0.52037532  0.19939617  0.34505671
   0.16288661  0.45649762  0.34959086
   0.27580948  0.77059031  0.50928375
   0.36182526  0.72034670  0.59948857
   0.42180302  0.78203428  0.50073542
   0.36808287  0.34204952  0.63628897
   0.38032115  0.44095713  0.72549726
   0.28419399  0.46588908  0.63632386
   0.70686237  0.61825449  0.40316878
   0.58691565  0.56625132  0.34480088
   0.58421331  0.70238016  0.39406256
   0.46950167  0.46731414  0.13797400
   0.40262253  0.33677645  0.15973180
   0.32257684  0.46273857  0.15832219
   0.56077416  0.21010370  0.27957738
   0.56764400  0.24616372  0.39586551
   0.52040337  0.11038654  0.36286930
   0.18366539  0.50952655  0.40748006
   0.16820312  0.50817746  0.28870847
   0.07648416  0.42667804  0.35663877
   0.27891170  0.02378372  0.46872404
   0.19703714  0.98383726  0.55052375
   0.26885968  0.96162194  0.51607422