No title                                
           1
    15.467720    0.000000    0.000000
     0.000000   28.467720    0.000000
     0.000000    0.000000   16.406010
   Si   O    H    C 
   193    52    68     8
Direct configuration=     1
   0.99692130  0.36790629  0.26968940
   0.99692130  0.43582410  0.18635606
   0.12192130  0.36790629  0.35302273
   0.12192130  0.43582410  0.10302273
   0.99820574  0.64045048  0.26679231
   0.99873286  0.16225318  0.18689420
   0.12306214  0.64190579  0.35003601
   0.12373139  0.16226090  0.10234415
   0.99699821  0.23179691  0.26873245
   0.99639253  0.57127205  0.18596753
   0.12202108  0.23187402  0.35366238
   0.12168880  0.57165189  0.10171882
   0.99692130  0.50374190  0.26968940
   0.99692130  0.29998849  0.18635606
   0.12192130  0.50374190  0.35302273
   0.12192130  0.29998849  0.10302273
   0.99692130  0.36790629  0.60302273
   0.99692130  0.43582410  0.51968940
   0.12192130  0.36790629  0.68635606
   0.12192130  0.43582410  0.43635606
   0.00086947  0.64141566  0.60236721
   0.99900534  0.16233367  0.52012471
   0.12481539  0.64106268  0.68798894
   0.12398847  0.16237354  0.43558160
   0.99695798  0.23179175  0.60211794
   0.49687269  0.57250304  0.52073212
   0.12194210  0.23181707  0.68710873
   0.12248199  0.57292481  0.43485574
   0.99692130  0.50374190  0.60302273
   0.99692130  0.29998849  0.51968940
   0.12192130  0.50374190  0.68635606
   0.12192130  0.29998849  0.43635606
   0.99692130  0.36790629  0.93635606
   0.99692130  0.43582410  0.85302273
   0.12192130  0.36790629  0.01968940
   0.12192130  0.43582410  0.76968940
   0.99883682  0.64113599  0.93560220
   0.99895007  0.16235134  0.85351777
   0.12368500  0.64122416  0.02020292
   0.12398166  0.16232658  0.76899018
   0.99698525  0.23180172  0.93555808
   0.49810465  0.57158841  0.85465935
   0.12196385  0.23181331  0.02052123
   0.12245194  0.57162335  0.76932504
   0.99692130  0.50374190  0.93635606
   0.99692130  0.29998849  0.85302273
   0.12192130  0.50374190  0.01968940
   0.12192130  0.29998849  0.76968940
   0.24692130  0.36790629  0.26968940
   0.24692130  0.43582410  0.18635606
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   0.37192130  0.43582410  0.10302273
   0.24827553  0.64050799  0.26649499
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   0.37203387  0.64116711  0.35210308
   0.37373170  0.16226263  0.10234197
   0.24701172  0.23179643  0.26873767
   0.24690370  0.57126761  0.18583753
   0.37202347  0.23187332  0.35366580
   0.37221282  0.57166778  0.10196978
   0.24692130  0.50374190  0.26968940
   0.24692130  0.29998849  0.18635606
   0.37192130  0.50374190  0.35302273
   0.37192130  0.29998849  0.10302273
   0.24692130  0.36790629  0.60302273
   0.24692130  0.43582410  0.51968940
   0.37192130  0.36790629  0.68635606
   0.37192130  0.43582410  0.43635606
   0.25139064  0.64178801  0.60599230
   0.24901711  0.16236545  0.52013766
   0.37512513  0.63961692  0.69095219
   0.37398691  0.16237602  0.43557341
   0.24696602  0.23180892  0.60217412
   0.24717311  0.57295525  0.52086215
   0.37198756  0.23180716  0.68711547
   0.37197051  0.57212612  0.43539853
   0.24692130  0.50374190  0.60302273
   0.24692130  0.29998849  0.51968940
   0.37192130  0.50374190  0.68635606
   0.37192130  0.29998849  0.43635606
   0.24692130  0.36790629  0.93635606
   0.24692130  0.43582410  0.85302273
   0.37192130  0.36790629  0.01968940
   0.37192130  0.43582410  0.76968940
   0.24896142  0.64113287  0.93629745
   0.24896146  0.16236924  0.85353111
   0.37428132  0.64120921  0.02037700
   0.37398175  0.16230523  0.76897003
   0.24698450  0.23180928  0.93560712
   0.24717098  0.57168032  0.85438300
   0.37198666  0.23181517  0.02052051
   0.37299914  0.57064172  0.77114015
   0.24692130  0.50374190  0.93635606
   0.24692130  0.29998849  0.85302273
   0.37192130  0.50374190  0.01968940
   0.37192130  0.29998849  0.76968940
   0.49692130  0.36790629  0.26968940
   0.49692130  0.43582410  0.18635606
   0.62192130  0.36790629  0.35302273
   0.62192130  0.43582410  0.10302273
   0.49826806  0.64142581  0.26910568
   0.49873423  0.16226063  0.18687614
   0.62395189  0.64099834  0.35263927
   0.62373784  0.16225992  0.10233842
   0.49699821  0.23179691  0.26873245
   0.49694748  0.57186475  0.18724380
   0.62202108  0.23187402  0.35366238
   0.62202889  0.57171010  0.10243896
   0.49692130  0.50374190  0.26968940
   0.49692130  0.29998849  0.18635606
   0.62192130  0.50374190  0.35302273
   0.62192130  0.29998849  0.10302273
   0.49692130  0.36790629  0.60302273
   0.49692130  0.43582410  0.51968940
   0.62192130  0.36790629  0.68635606
   0.62192130  0.43582410  0.43635606
   0.49845879  0.64162825  0.60465693
   0.49901670  0.16234269  0.52012308
   0.62479816  0.64104804  0.68720717
   0.62399989  0.16238628  0.43558736
   0.49695798  0.23179175  0.60211794
   0.99769881  0.57197631  0.52026768
   0.62194210  0.23181707  0.68710873
   0.62186450  0.57196965  0.43570948
   0.49692130  0.50374190  0.60302273
   0.49692130  0.29998849  0.51968940
   0.62192130  0.50374190  0.68635606
   0.62192130  0.29998849  0.43635606
   0.49692130  0.36790629  0.93635606
   0.49692130  0.43582410  0.85302273
   0.62192130  0.36790629  0.01968940
   0.62192130  0.43582410  0.76968940
   0.49962192  0.64106356  0.93640437
   0.49895096  0.16235736  0.85350868
   0.62437279  0.64111515  0.02068103
   0.62398572  0.16231677  0.76898108
   0.49698525  0.23180172  0.93555808
   0.99719543  0.57170909  0.85376349
   0.62196385  0.23181331  0.02052123
   0.62250410  0.57164124  0.76903700
   0.49692130  0.50374190  0.93635606
   0.49692130  0.29998849  0.85302273
   0.62192130  0.50374190  0.01968940
   0.62192130  0.29998849  0.76968940
   0.74692130  0.36790629  0.26968940
   0.74692130  0.43582410  0.18635606
   0.87192130  0.36790629  0.35302273
   0.87192130  0.43582410  0.10302273
   0.74918436  0.64095237  0.26874047
   0.74873832  0.16226003  0.18687915
   0.87448555  0.64103064  0.35298831
   0.87374265  0.16226001  0.10233855
   0.74701172  0.23179643  0.26873767
   0.74721324  0.57162758  0.18680940
   0.87202347  0.23187332  0.35366580
   0.87172163  0.57162610  0.10160967
   0.74692130  0.50374190  0.26968940
   0.74692130  0.29998849  0.18635606
   0.87192130  0.50374190  0.35302273
   0.87192130  0.29998849  0.10302273
   0.74692130  0.36790629  0.60302273
   0.74692130  0.43582410  0.51968940
   0.87192130  0.36790629  0.68635606
   0.87192130  0.43582410  0.43635606
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   0.74696602  0.23180892  0.60217412
   0.74723874  0.57177466  0.52033219
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   0.74692130  0.50374190  0.60302273
   0.74692130  0.29998849  0.51968940
   0.87192130  0.50374190  0.68635606
   0.87192130  0.29998849  0.43635606
   0.74692130  0.36790629  0.93635606
   0.74692130  0.43582410  0.85302273
   0.87192130  0.36790629  0.01968940
   0.87192130  0.43582410  0.76968940
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   0.87376742  0.64111688  0.01990593
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   0.74698450  0.23180928  0.93560712
   0.74746674  0.57172232  0.85363545
   0.87198666  0.23181517  0.02052051
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   0.74692130  0.50374190  0.93635606
   0.74692130  0.29998849  0.85302273
   0.87192130  0.50374190  0.01968940
   0.87192130  0.29998849  0.76968940
   0.38830593  0.79774648  0.57650710
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   0.12896878  0.11651486  0.03651282
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   0.12913790  0.11657249  0.70317372
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   0.25401826  0.11656496  0.91928444
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   0.00371088  0.68701526  0.86998802
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   0.87809999  0.68709713  0.08521479
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   0.43372801  0.77787964  0.64718473
   0.45356677  0.81765020  0.50655470
   0.28017044  0.83542435  0.62160270
   0.45501136  0.11397300  0.29249395
   0.08002146  0.11396699  0.99671017
   0.45522139  0.11398257  0.62563728
   0.08001902  0.11406656  0.33000581
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   0.20501539  0.11394566  0.29247173
   0.33001372  0.11397455  0.99670381
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   0.07928255  0.68938959  0.12560170
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   0.32527416  0.68840163  0.45689277
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   0.58026365  0.68944261  0.12608956
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   0.46227548  0.78667839  0.80744533
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   0.54413754  0.78997440  0.51468920
   0.51224191  0.79653056  0.42193389
   0.61263839  0.84229434  0.41947526
   0.57040790  0.86166739  0.49735583
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   0.18922436  0.88714001  0.78033071
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   0.25705538  0.72125884  0.56022745
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   0.23052499  0.83712841  0.69249989
   0.22999990  0.88552278  0.72768797
   0.26847649  0.79664814  0.46681313
   0.20003966  0.82786195  0.48468437