No title                                
           1
    13.835340    0.000000    0.000000
     0.000000   13.835340    0.000000
     0.000000    0.000000   24.767960
   Ti   O    Si   C    H 
    72   154     1     4    21
Direct configuration=     1
   0.99668755  0.16261475  0.58396356
   0.16789589  0.33314869  0.27532937
   0.00361240  0.16738556  0.45921516
   0.16789589  0.33314869  0.39411146
   0.00122922  0.16648202  0.33472042
   0.16994991  0.33649548  0.51453584
   0.00122922  0.16648202  0.21593833
   0.15900980  0.31986333  0.63371849
   0.00210983  0.50108230  0.58520118
   0.16789589  0.66648202  0.27532937
   0.00286198  0.50285045  0.45982594
   0.16789589  0.66648202  0.39411146
   0.00122922  0.49981536  0.33472042
   0.17269748  0.67300815  0.51412428
   0.00122922  0.49981536  0.21593833
   0.15857763  0.66177084  0.63233452
   0.99963931  0.83573149  0.58642710
   0.16789589  0.99981536  0.27532937
   0.99868553  0.83153104  0.46005421
   0.16789589  0.99981536  0.39411146
   0.00122922  0.83314869  0.33472042
   0.16927619  0.00056186  0.51298228
   0.00122922  0.83314869  0.21593833
   0.15925565  0.99576218  0.63346812
   0.33216287  0.16207767  0.58783495
   0.50122922  0.33314869  0.27532937
   0.33569497  0.16866401  0.46100663
   0.50122922  0.33314869  0.39411146
   0.33456255  0.16648202  0.33472042
   0.50431152  0.33667161  0.51453789
   0.33456255  0.16648202  0.21593833
   0.48900091  0.32554893  0.63402702
   0.33013871  0.49850891  0.58817364
   0.50122922  0.66648202  0.27532937
   0.33535437  0.50139805  0.46109819
   0.50122922  0.66648202  0.39411146
   0.33456255  0.49981536  0.33472042
   0.50320827  0.66791218  0.51452973
   0.33456255  0.49981536  0.21593833
   0.48886517  0.65737727  0.63606322
   0.33634238  0.83654349  0.58462371
   0.50122922  0.99981536  0.27532937
   0.33647041  0.83403633  0.45930888
   0.50122922  0.99981536  0.39411146
   0.33456255  0.83314869  0.33472042
   0.49974751  0.99832425  0.51520584
   0.33456255  0.83314869  0.21593833
   0.51098475  0.01125044  0.63422922
   0.67254701  0.17210515  0.58568809
   0.83456255  0.33314869  0.27532937
   0.66565538  0.16493581  0.45995112
   0.83456255  0.33314869  0.39411146
   0.66789589  0.16648202  0.33472042
   0.83531301  0.33253821  0.51173945
   0.66789589  0.16648202  0.21593833
   0.84115507  0.34110314  0.63154347
   0.66787086  0.49867838  0.58505735
   0.83456255  0.66648202  0.27532937
   0.67059140  0.50170126  0.45961167
   0.83456255  0.66648202  0.39411146
   0.66789589  0.49981536  0.33472042
   0.83331173  0.66555113  0.51920547
   0.66789589  0.49981536  0.21593833
   0.83705411  0.67236764  0.64279712
   0.66205812  0.83030551  0.58747735
   0.83456255  0.99981536  0.27532937
   0.66942182  0.83363972  0.46068775
   0.83456255  0.99981536  0.39411146
   0.66789589  0.83314869  0.33472042
   0.83513712  0.00171761  0.51370846
   0.66789589  0.83314869  0.21593833
   0.82326717  0.99236976  0.63354987
   0.09671284  0.26705450  0.57432246
   0.26192922  0.23911536  0.27532937
   0.07386255  0.09384869  0.27532937
   0.23159031  0.06550902  0.57553629
   0.10198077  0.26729724  0.45490360
   0.26192922  0.23911536  0.39411146
   0.07386255  0.09384869  0.39411146
   0.23446301  0.06644811  0.45439907
   0.09526255  0.26051536  0.33472042
   0.26710834  0.23230349  0.51486332
   0.06696930  0.10005395  0.51330046
   0.24052922  0.07244869  0.33472042
   0.09526255  0.26051536  0.21593833
   0.26494108  0.23746796  0.63512287
   0.07172797  0.09925812  0.63235794
   0.24052922  0.07244869  0.21593833
   0.09841002  0.60552215  0.57382113
   0.26192922  0.57244869  0.27532937
   0.07386255  0.42718202  0.27532937
   0.23191696  0.39780189  0.57623970
   0.10276805  0.60152879  0.45455475
   0.26192922  0.57244869  0.39411146
   0.07386255  0.42718202  0.39411146
   0.23392801  0.39905137  0.45500792
   0.09526255  0.59384869  0.33472042
   0.26733078  0.56582756  0.51470572
   0.06821645  0.43526432  0.51366595
   0.24052922  0.40578202  0.33472042
   0.09526255  0.59384869  0.21593833
   0.26529490  0.57466140  0.63521678
   0.08100028  0.44000259  0.63158296
   0.24052922  0.40578202  0.21593833
   0.10037225  0.93506339  0.57292927
   0.26192922  0.90578202  0.27532937
   0.07386255  0.76051536  0.27532937
   0.23587807  0.73290804  0.57445948
   0.10198808  0.93437149  0.45467259
   0.26192922  0.90578202  0.39411146
   0.07386255  0.76051536  0.39411146
   0.23499515  0.73374633  0.45424452
   0.09526255  0.92718202  0.33472042
   0.26967413  0.90005259  0.51350961
   0.06811782  0.76810900  0.51360487
   0.24052922  0.73911536  0.33472042
   0.09526255  0.92718202  0.21593833
   0.26945774  0.90836071  0.63115847
   0.08317452  0.77615855  0.63202600
   0.24052922  0.73911536  0.21593833
   0.43407097  0.26304876  0.57551707
   0.59526255  0.23911536  0.27532937
   0.40719589  0.09384869  0.27532937
   0.56993911  0.06959738  0.57567261
   0.43476916  0.26708020  0.45464658
   0.59526255  0.23911536  0.39411146
   0.40719589  0.09384869  0.39411146
   0.56779233  0.06655999  0.45420129
   0.42859589  0.26051536  0.33472042
   0.60279967  0.23412875  0.51387983
   0.40064340  0.10045148  0.51464581
   0.57386255  0.07244869  0.33472042
   0.42859589  0.26051536  0.21593833
   0.60819304  0.25108281  0.63075089
   0.39778420  0.08686640  0.63492684
   0.57386255  0.07244869  0.21593833
   0.43299114  0.59872445  0.57574496
   0.59526255  0.57244869  0.27532937
   0.40719589  0.42718202  0.27532937
   0.56403037  0.40041667  0.57452044
   0.43503407  0.59970137  0.45479387
   0.59526255  0.57244869  0.39411146
   0.40719589  0.42718202  0.39411146
   0.56687964  0.39929418  0.45509650
   0.42859589  0.59384869  0.33472042
   0.60161713  0.56495471  0.51417915
   0.39886806  0.43259674  0.51487358
   0.57386255  0.40578202  0.33472042
   0.42859589  0.59384869  0.21593833
   0.59936865  0.57401269  0.63383622
   0.40621951  0.43325979  0.63575963
   0.57386255  0.40578202  0.21593833
   0.43750747  0.93545214  0.57280243
   0.59526255  0.90578202  0.27532937
   0.40719589  0.76051536  0.27532937
   0.56419962  0.72808822  0.57604365
   0.43585460  0.93441151  0.45493202
   0.59526255  0.90578202  0.39411146
   0.40719589  0.76051536  0.39411146
   0.56713511  0.73175328  0.45508227
   0.42859589  0.92718202  0.33472042
   0.60161761  0.89863979  0.51432546
   0.40139383  0.76680399  0.51303907
   0.57386255  0.73911536  0.33472042
   0.42859589  0.92718202  0.21593833
   0.58802671  0.89622022  0.63422670
   0.41180960  0.76867367  0.63236151
   0.57386255  0.73911536  0.21593833
   0.77230759  0.27020211  0.57373154
   0.92859589  0.23911536  0.27532937
   0.74052922  0.09384869  0.27532937
   0.89893344  0.06211652  0.57343554
   0.76894463  0.26761562  0.45454573
   0.92859589  0.23911536  0.39411146
   0.74052922  0.09384869  0.39411146
   0.90019100  0.06488571  0.45498459
   0.76192922  0.26051536  0.33472042
   0.93466754  0.23156013  0.51302526
   0.73449542  0.10119158  0.51378563
   0.90719589  0.07244869  0.33472042
   0.76192922  0.26051536  0.21593833
   0.91889630  0.22542205  0.63047327
   0.74539411  0.10503034  0.63340859
   0.90719589  0.07244869  0.21593833
   0.76914473  0.59880756  0.57465251
   0.92859589  0.57244869  0.27532937
   0.74052922  0.42718202  0.27532937
   0.90559982  0.39784310  0.57411056
   0.76832663  0.60029867  0.45501193
   0.92859589  0.57244869  0.39411146
   0.74052922  0.42718202  0.39411146
   0.90138417  0.39981032  0.45415190
   0.76192922  0.59384869  0.33472042
   0.93537713  0.56722526  0.51343847
   0.73463072  0.43399629  0.51408810
   0.90719589  0.40578202  0.33472042
   0.76192922  0.59384869  0.21593833
   0.92222594  0.56202661  0.63238052
   0.73400381  0.42550399  0.63252739
   0.90719589  0.40578202  0.21593833
   0.76281346  0.93272958  0.57560179
   0.92859589  0.90578202  0.27532937
   0.74052922  0.76051536  0.27532937
   0.90121497  0.73175456  0.57804590
   0.76769903  0.93303644  0.45426641
   0.92859589  0.90578202  0.39411146
   0.74052922  0.76051536  0.39411146
   0.90081061  0.73307077  0.45435961
   0.76192922  0.92718202  0.33472042
   0.93342904  0.89806382  0.51452365
   0.73371055  0.76569895  0.51448201
   0.90719589  0.73911536  0.33472042
   0.76192922  0.92718202  0.21593833
   0.93571654  0.91196151  0.63329626
   0.73718051  0.76211654  0.63383056
   0.90719589  0.73911536  0.21593833
   0.46456890  0.63837871  0.71049997
   0.10643427  0.30017059  0.70086135
   0.10938539  0.63667768  0.70169224
   0.14634254  0.97092182  0.70592668
   0.46705237  0.27196675  0.70032843
   0.55819592  0.05529771  0.69937456
   0.87909620  0.35375727  0.70395023
   0.91291286  0.71541478  0.69720100
   0.78659264  0.95700814  0.70238819
   0.72514161  0.61544393  0.70634597
   0.42948776  0.64862517  0.77388227
   0.35717078  0.54087071  0.79599668
   0.53063467  0.66714100  0.82475450
   0.35200142  0.76298497  0.77762480
   0.74715921  0.55073912  0.75089107
   0.29736022  0.52877001  0.76755183
   0.40163789  0.47459480  0.79676978
   0.32571335  0.54959978  0.83682781
   0.57504512  0.60127575  0.82951171
   0.57806486  0.72770702  0.81330159
   0.50119991  0.68399483  0.86538363
   0.32271585  0.77358421  0.81857992
   0.39571368  0.82628159  0.76648463
   0.29184173  0.75484835  0.74903920
   0.66328767  0.59468605  0.68782879
   0.04727847  0.33524686  0.71049170
   0.11921635  0.57106172  0.71549172
   0.19113935  0.92957970  0.72551509
   0.49549631  0.21002088  0.71127571
   0.62136923  0.03275834  0.71204542
   0.88843478  0.29412010  0.72442895
   0.98027138  0.69395399  0.70447432
   0.81682580  0.90094907  0.71933322
   0.71261473  0.47889728  0.74690564
   0.82581167  0.54037195  0.75036281
   0.72590968  0.58314051  0.79011310