No title                                
           1
    28.000000    0.000000    0.000000
     0.000000   16.000000    0.000000
     0.000000    0.000000   16.000000
   Si   C    H    O 
     2     7    20     2
Direct configuration=     1
   0.04633758  0.54126568  0.49782842
   0.46680057  0.56515513  0.53503829
   0.08872762  0.45458110  0.47176136
   0.98827757  0.52727480  0.44052738
   0.00931218  0.58426911  0.64966392
   0.07135514  0.64519071  0.47387323
   0.48186488  0.51244724  0.63606387
   0.48361109  0.67939063  0.53464103
   0.49924669  0.53425410  0.37599461
   0.12310774  0.46321503  0.50314472
   0.07374784  0.39472085  0.49164618
   0.09563768  0.45171127  0.40451118
   0.96176368  0.57463357  0.45825104
   0.99395121  0.53260473  0.37267108
   0.97272199  0.46551749  0.45316796
   0.00290546  0.55436240  0.71038850
   0.02759483  0.64442539  0.66044117
   0.97443923  0.59726255  0.62037194
   0.06004745  0.67765298  0.41900237
   0.08678201  0.67882576  0.50567035
   0.47141517  0.44636753  0.63548580
   0.52055580  0.51624394  0.64695217
   0.46349947  0.54293819  0.68833708
   0.47407038  0.71050015  0.47592075
   0.46509513  0.71205104  0.58540417
   0.52231317  0.68649698  0.54416750
   0.53543430  0.52954649  0.35710408
   0.47867702  0.49238639  0.33810966
   0.48722574  0.59608619  0.36309005
   0.03759219  0.52940393  0.60067595
   0.49598494  0.51261429  0.46203133