* Si69C45O102H164 , LKD, nVE, 200fs 2fs 
   1.00000000000000     
    16.6099999999999994    0.0000000000000000    0.0000000000000000
     0.0000000000000000   16.6099999999999994    0.0000000000000000
     0.0000000000000000    0.0000000000000000   16.6099999999999994
   Si   O    C    H 
    69   102    45   164
Direct
  0.0511946276228213  0.0872618470960012  0.0180130221755837
  0.2564029222045596  0.0669161328383172  0.3709663813969614
  0.0735340548072120  0.2777885155901387  0.1322631869766763
  0.2389770576466135  0.2201171042140772  0.2340804581787482
  0.0983825322687311  0.0986544814925243  0.4989810752791314
  0.3053153386588873  0.0888485185978104  0.8645761772068498
  0.0604869551339313  0.2649481133266943  0.6188881115365062
  0.2321611424699181  0.2370507228623367  0.7429491641127736
  0.1059589958880794  0.4328857983562309  0.0084789981384958
  0.2641580717063001  0.4327568803852265  0.3821043880095586
  0.0627877885792326  0.5824813976769637  0.1406773391659169
  0.2286704289595160  0.5643251546445786  0.2564794251568080
  0.1067839978500277  0.3984746323143526  0.4950356930702456
  0.0704650708817974  0.5875784356275433  0.6387107741951057
  0.2360658319628325  0.5777225648273855  0.7454235859103830
  0.1037333691320776  0.7761059530708647  0.9816188271145276
  0.2675177669451071  0.7284174349483252  0.3775248506253128
  0.0669285559111722  0.9288078452294738  0.1256835331827321
  0.2278495592399364  0.9063553029605895  0.2526447590668557
  0.1120169522652510  0.7671163174231954  0.4890850491356262
  0.2660951486757088  0.7299717742203363  0.8781834887991495
  0.0645137169487004  0.9368690018375606  0.6298584106087104
  0.2211620191173037  0.8664667710010795  0.7412066798332777
  0.4622391877195546  0.0912867344709278  0.0238889737064092
  0.5935578377694198  0.0674895088669530  0.3705146692767172
  0.4347887728744966  0.0703036970961238  0.4975729042612764
  0.5966836361466777  0.0669291969686317  0.8700341039063922
  0.3784365472139768  0.2806706216328037  0.6189169312765028
  0.6040889298091608  0.2256529386568307  0.7541144364839344
  0.4332944769036450  0.4330285952366490  0.9977118022263805
  0.5985201616335145  0.4018681591431105  0.3748871435778215
  0.3946816023761074  0.5722890463737218  0.1226334375704296
  0.5735286359750762  0.5663878046965135  0.2525349031087906
  0.4322229477036330  0.4323744703711098  0.4987052707581839
  0.5991077603083963  0.4102751603608578  0.8794783900450491
  0.4016279965212449  0.5977478585341262  0.6269228080926901
  0.5594557161414495  0.5664908288685105  0.7598946165443969
  0.4185938935113974  0.7849840285267600  0.9787868528982158
  0.6105027513086373  0.7290754413993862  0.3526292076328727
  0.4004160784363960  0.9326487359576136  0.1200367058798766
  0.5685841796488393  0.8990535650131282  0.2572952332321831
  0.4084921478154545  0.7406587229726351  0.5010554090654765
  0.6049570538243929  0.7364527505080641  0.8563717320113006
  0.4301834988343375  0.9450012991399003  0.6347584447523258
  0.5691892450766721  0.9021965156093115  0.7508854446875998
  0.7752206442697821  0.0901371720317103  0.9927758556156320
  0.9434814558043005  0.0721773770749646  0.3765703171701635
  0.7131626490754335  0.2658020326030470  0.1140132426850752
  0.9238753805225386  0.2158183927653865  0.2640444783724571
  0.7668826299977637  0.1006341031717183  0.5078509940865378
  0.9324622765056484  0.0680338118044147  0.8745381785162439
  0.7343389115024723  0.2655463781086514  0.6259865399230418
  0.8961268220000363  0.2238322784697157  0.7288669483061856
  0.7641726040968742  0.4370767240796545  0.9945093745879309
  0.9402614691725552  0.4021859289201259  0.3800486287314291
  0.7337336120312985  0.5833109542916524  0.1305003731888810
  0.9010065479590951  0.5670554245379373  0.2408118624118558
  0.7606686715621112  0.4256781701231465  0.4977701271925704
  0.9120357898871916  0.4281475342428622  0.8772347959040568
  0.7327525155039145  0.6135824095793302  0.6126293574916652
  0.9264883314556357  0.5700436112923450  0.7511089637297432
  0.7675453347702685  0.7721936715548826  0.0018374782595709
  0.9303924822506303  0.7412857526737161  0.3734740764055347
  0.7395233915166530  0.9247874502389566  0.1249585811788479
  0.9018877643697394  0.8976112314983080  0.2428856605314051
  0.7655403126291257  0.7647604911222730  0.4975127857351218
  0.9382781856683698  0.7313895626664292  0.8676173883876038
  0.7264737358209792  0.9333908432780923  0.6085144687686240
  0.9271372940140217  0.8967957369480442  0.7543709202390150
  0.0803174939575052  0.0277088682310619  0.1113841765680291
  0.2487448445395510  0.1246865795325514  0.2813038618353705
  0.2880895840657949  0.2433133432482350  0.1526353690467214
  0.1317588326526699  0.2475267440021230  0.2277532365428003
  0.2059707807730942  0.0890386895138403  0.4690063327342640
  0.0466715607401830  0.0782268160396938  0.4064554815690724
  0.0794843074627933  0.0423757928625469  0.5897962301527531
  0.0877766628305378  0.2033906627297932  0.5310104684345726
  0.2820510513576243  0.2543858619914192  0.6532052292204805
  0.1280157302993568  0.2466882440897329  0.7183290609583897
  0.0379713998019517  0.0806898776174894  0.9056414801179553
  0.0769515429039372  0.3785904127169509  0.0955321868397177
  0.2468379290346487  0.4595687301309714  0.2788090130513016
  0.0882851739567285  0.5492998729259184  0.0304641896987091
  0.2527445042087650  0.6228605375609666  0.3424718154741659
  0.1286235361573202  0.5806609427947806  0.2228412513830577
  0.2061916220552380  0.4215624361620762  0.4740064036603797
  0.0421797812941074  0.4131929202038405  0.4036228103603869
  0.0790503908947220  0.3716090316484680  0.5955915899861967
  0.2469107046281176  0.4697882830402312  0.7766175181755059
  0.2542567055334586  0.6257017320026560  0.8425296302393276
  0.2938566891214558  0.5849766945162824  0.6597690505581150
  0.1326122159252226  0.5767600355060482  0.7307484891324114
  0.2001353591151716  0.4219315047936341  0.9811665285148687
  0.0827000209058280  0.8777807641192390  0.0346514193242865
  0.2508412281775459  0.9609264967352208  0.3459855233775299
  0.2967423735603545  0.9185846485889360  0.1602441250614206
  0.1238094543359272  0.9115365178024692  0.2152628631856909
  0.2215667501414803  0.7502595806616509  0.4654460062170778
  0.2485922134309822  0.7729830083893663  0.7861628831452989
  0.1202196195491611  0.9113760397604328  0.7130829585108284
  0.2130178764751438  0.7514825131365287  0.9652063580131491
  0.0370989020443044  0.7448961716270888  0.9033379221177208
  0.4089517531038920  0.0360577046783751  0.0989102011516455
  0.5816187328090345  0.1200943905926906  0.2825936009908700
  0.5925294698906611  0.2953864807405708  0.3436639580435376
  0.6183477919553695  0.2554782726333395  0.1614106073547424
  0.4734703713494790  0.2375532223591242  0.2178178096755133
  0.5407299842630336  0.0882356960366912  0.4685868899213734
  0.4115539114437735  0.0430741186886526  0.5994980380915177
  0.5778185111256809  0.1210258323547502  0.7802542359288783
  0.6271727281990082  0.2558025339743445  0.6544847602742493
  0.5605954711162727  0.0877238907457897  0.9635324123705955
  0.4322005111976308  0.3949487829324425  0.0990702706160613
  0.5813512477730832  0.4604599729706003  0.2854193095517059
  0.4195192765499258  0.5397611579550570  0.0288773471743999
  0.5874648365137868  0.6234891601401544  0.3423859517682433
  0.6234111568971713  0.5846477205901671  0.1590059437831169
  0.4645693230792085  0.5772499713904838  0.2156886847744922
  0.5413983132095533  0.4210440397012558  0.4679843267315396
  0.3739278594386511  0.4128337913867378  0.4108503267572926
  0.4135572567446386  0.3832917223060993  0.5924465704749746
  0.5778875681826064  0.4607071926859576  0.7835588356659862
  0.4199678106641305  0.5425962804168615  0.5358623102281549
  0.5874327753270295  0.6263555058912093  0.8432632664290738
  0.4576676244712787  0.5808337204828860  0.7163712605051646
  0.5385154539831363  0.4225347075245922  0.9659104280385791
  0.3854311841975985  0.4155764472457428  0.9101598096594136
  0.5766448958053653  0.7959230276904260  0.2759013941168934
  0.4236090912663455  0.8856528021516893  0.0333684811855717
  0.5874710311301353  0.9569422021086237  0.3430144508378243
  0.3710488541348543  0.7468002741756612  0.4005466135634034
  0.4122257062941059  0.7012645008926859  0.6027461387296557
  0.5779741110556306  0.7954601048218201  0.7744690199605222
  0.5883160454442405  0.9575588773852207  0.8438174968376327
  0.6245443194174034  0.9212551290154762  0.6600648149266759
  0.4663116397385832  0.9123439303795420  0.7275595097368848
  0.3678973303100712  0.7406991045266266  0.8992010062533973
  0.7477008846730029  0.0391306780238998  0.0948913057942663
  0.9109643001512602  0.1123119832026635  0.2817907250193848
  0.7042317650187772  0.0795974600918914  0.4099273257647894
  0.7432581514644251  0.0426390563015419  0.5923134628157875
  0.9162463400481814  0.1233227445660411  0.7836781698176035
  0.7551287122720681  0.2090577574506074  0.5327669454407051
  0.9631859376218835  0.2540186802811553  0.6539394825081911
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