KC4P V1 structure opt. pos. optical spec
           1
    16.009639    0.000000    0.000000
     0.000000   16.009639    0.000000
     0.000000    0.000000   13.636335
   C    Si   O    H 
    52    56   108   105
Direct configuration=     1
   0.08709071  0.02803569  0.20650844
   0.21441375  0.22336898  0.63122818
   0.69451780  0.24068058  0.66819242
   0.30042498  0.26191309  0.65532191
   0.73368714  0.40684356  0.53328224
   0.22490072  0.38463917  0.94716129
   0.06481659  0.62963945  0.88347799
   0.19968329  0.03741973  0.45581552
   0.65383424  0.93237115  0.38846046
   0.18859879  0.71706718  0.07786151
   0.66860423  0.23867902  0.58541774
   0.59771732  0.61790686  0.13195099
   0.61282398  0.36788791  0.12842821
   0.45686490  0.43568086  0.87255970
   0.33208927  0.88984223  0.18117591
   0.32132833  0.90062451  0.09479113
   0.74013243  0.34826950  0.69511618
   0.79962868  0.17083238  0.39594963
   0.07857025  0.71185670  0.82701020
   0.59172259  0.86116495  0.92885621
   0.58109298  0.02099674  0.78232868
   0.35261197  0.66631963  0.41957739
   0.41336441  0.35014833  0.86564825
   0.50677047  0.44031807  0.96881410
   0.71375077  0.68683079  0.61447184
   0.81463481  0.01404157  0.89783106
   0.06942808  0.01127958  0.99173858
   0.29688157  0.79645289  0.71353622
   0.60531903  0.41111162  0.30524713
   0.22616439  0.18654587  0.37937791
   0.70200677  0.74231040  0.07502216
   0.28060756  0.55487948  0.03303542
   0.88712749  0.95744995  0.11076695
   0.35164538  0.11061712  0.10248651
   0.97854628  0.26082538  0.42661398
   0.93640596  0.19846542  0.20629374
   0.08759134  0.36148143  0.67416109
   0.26278242  0.44304341  0.60056001
   0.14163789  0.51302055  0.78020628
   0.26880593  0.04457476  0.68305618
   0.22793532  0.07475882  0.22573757
   0.88457128  0.10618897  0.59033052
   0.15516069  0.19559828  0.89657971
   0.71468339  0.54286887  0.45176219
   0.93654004  0.84702750  0.63882176
   0.00894338  0.86478381  0.92281768
   0.80742317  0.75282366  0.82911312
   0.43296931  0.68369927  0.83180758
   0.41654993  0.81584938  0.04055481
   0.03689897  0.99873139  0.51839489
   0.42416409  0.07181611  0.87675033
   0.40726842  0.45789999  0.33666538
   0.13239331  0.18659307  0.60778310
   0.95435815  0.94979853  0.22341885
   0.63440972  0.91822947  0.51118609
   0.96097319  0.14408411  0.68576318
   0.09568059  0.93652607  0.58678406
   0.05518166  0.25459156  0.91779621
   0.96570352  0.32192311  0.09404164
   0.13674973  0.63695258  0.13395470
   0.96067142  0.32965216  0.31646111
   0.27845217  0.50393648  0.25827062
   0.92471453  0.37475292  0.51247921
   0.18843377  0.44090690  0.87390501
   0.97223583  0.61107072  0.94231304
   0.07215888  0.78085552  0.34377300
   0.99901650  0.61330721  0.29457553
   0.12218969  0.59914387  0.45986003
   0.07430642  0.03101389  0.78919810
   0.19571822  0.99207990  0.13552292
   0.41943088  0.15877110  0.00550375
   0.48218819  0.19471637  0.20622001
   0.47047014  0.06205201  0.37268272
   0.22516083  0.88685954  0.72774924
   0.26815974  0.06981937  0.81764885
   0.27156117  0.31262435  0.04104486
   0.35519216  0.17062134  0.45526850
   0.67770766  0.57402817  0.13949202
   0.76296582  0.64724083  0.73069471
   0.28985618  0.33481572  0.76285011
   0.23430609  0.73968024  0.87781755
   0.49516813  0.67395023  0.12280244
   0.36884239  0.66740649  0.28309188
   0.34537058  0.87678646  0.28662482
   0.29972366  0.46779923  0.47431500
   0.39712484  0.59141152  0.90598952
   0.38586356  0.56145729  0.74825231
   0.30841055  0.91386131  0.98929580
   0.59728485  0.06721870  0.12356492
   0.75817837  0.10647560  0.95085388
   0.56803556  0.01236587  0.91935059
   0.67406874  0.94735808  0.26614246
   0.62843082  0.23575192  0.45593886
   0.77291070  0.90700374  0.66551397
   0.85699098  0.74208711  0.70480618
   0.72642754  0.24336542  0.76916386
   0.71602670  0.41033101  0.91214841
   0.87515462  0.59570417  0.13028337
   0.53638544  0.32035620  0.33820589
   0.83491358  0.42087028  0.19349190
   0.77703364  0.32746390  0.55121888
   0.05898032  0.51452619  0.64157440
   0.65491630  0.38076402  0.68361905
   0.91644788  0.43385286  0.92486114
   0.63333852  0.53542623  0.77271928
   0.97354603  0.81513708  0.04063238
   0.68644113  0.71932226  0.20902837
   0.91648837  0.87349556  0.50663878
   0.02789584  0.33203583  0.84205206
   0.08407824  0.55673290  0.05971415
   0.98734222  0.22731070  0.02184532
   0.87584295  0.40715504  0.31809289
   0.28401432  0.11637977  0.35372727
   0.36102190  0.19371224  0.68038952
   0.43361995  0.07816237  0.76786731
   0.57620322  0.33825837  0.74702268
   0.68095117  0.06305071  0.88587134
   0.30175811  0.64340966  0.00696540
   0.13392036  0.63143421  0.25636842
   0.04366345  0.52784909  0.24736237
   0.36298817  0.21273864  0.34333426
   0.01106223  0.61247035  0.42881205
   0.30713296  0.41615858  0.20012625
   0.25597776  0.99272797  0.43974406
   0.33202433  0.30930531  0.56784605
   0.19570952  0.64327917  0.38986579
   0.22473563  0.49812217  0.37888537
   0.05691239  0.27301801  0.67266141
   0.28601378  0.43807799  0.74499177
   0.15678655  0.55332132  0.93758916
   0.36208682  0.86052787  0.41874612
   0.29239744  0.93044767  0.85710279
   0.04969366  0.70697685  0.24390233
   0.94293533  0.06656740  0.27377547
   0.46659645  0.97202666  0.11555914
   0.12439440  0.85804890  0.67599915
   0.39816621  0.46170147  0.44345291
   0.06457177  0.03091146  0.62522889
   0.24321939  0.63931158  0.84610980
   0.22523401  0.84010167  0.90956609
   0.00165581  0.20286567  0.28483339
   0.98744434  0.01263456  0.72463782
   0.48175930  0.23920742  0.03306713
   0.86250513  0.12272402  0.00418268
   0.53800889  0.37508156  0.57325039
   0.63245192  0.41375192  0.83872114
   0.21726136  0.29448279  0.15800886
   0.45757846  0.16401950  0.35120814
   0.17842954  0.33655396  0.42760291
   0.76913509  0.70493201  0.28205768
   0.52401337  0.23912411  0.45686830
   0.63477648  0.46830463  0.59950904
   0.69645024  0.97608801  0.60319885
   0.55525349  0.20426700  0.29300208
   0.79958721  0.40690249  0.98559788
   0.29999517  0.60618096  0.20222735
   0.53514552  0.70472272  0.94490994
   0.36241035  0.26506609  0.01828491
   0.45358649  0.72963887  0.22974636
   0.55218389  0.40532547  0.10915135
   0.86097297  0.61103263  0.72942969
   0.48875537  0.55772107  0.72777110
   0.77808593  0.51897329  0.14913091
   0.72394724  0.46630217  0.75525158
   0.51495318  0.03272042  0.63906896
   0.61272772  0.61028455  0.69076989
   0.22999247  0.78097951  0.03315277
   0.49317378  0.11393516  0.11219273
   0.77840763  0.62147313  0.09588877
   0.39134971  0.26497308  0.20519955
   0.48640134  0.96146459  0.96715628
   0.28300061  0.56518871  0.76873492
   0.75767289  0.79305529  0.66960784
   0.20770388  0.01508171  0.89427811
   0.07444467  0.92959293  0.04525719
   0.36081692  0.79545661  0.95546866
   0.58800304  0.96255904  0.17854391
   0.65681340  0.12739429  0.19508720
   0.04094626  0.07579942  0.14396449
   0.64465985  0.05931459  0.00174640
   0.82317421  0.91025429  0.47239066
   0.66557323  0.31797083  0.39408191
   0.87233606  0.17714631  0.38992174
   0.66010145  0.14760977  0.40163529
   0.77266753  0.94881452  0.22623598
   0.87448120  0.13524707  0.75409718
   0.13328261  0.98025781  0.26900937
   0.76660318  0.24698081  0.89550330
   0.75384882  0.55418417  0.55079250
   0.86630780  0.35395123  0.87206351
   0.02860666  0.31960456  0.20769904
   0.89314966  0.48439505  0.10418534
   0.89420178  0.54158188  0.88646237
   0.86401377  0.32572970  0.12179758
   0.96407759  0.43538459  0.42392983
   0.74472412  0.37576837  0.16129519
   0.88731241  0.61451351  0.26278693
   0.87659833  0.40375390  0.73733924
   0.55873315  0.85309488  0.54749969
   0.15239040  0.53728531  0.56783164
   0.85443637  0.32999813  0.40118876
   0.99466330  0.41463037  0.02156123
   0.56541089  0.52220626  0.88035911
   0.00278036  0.59282939  0.68880532
   0.52559199  0.89042971  0.85889104
   0.95104282  0.65981771  0.06196705
   0.04043884  0.82014080  0.15020111
   0.49348167  0.03034075  0.54517942
   0.61365253  0.73394321  0.46703127
   0.02983363  0.14046465  0.57746422
   0.44142839  0.67278720  0.01768855
   0.07125598  0.69800755  0.56600331
   0.99947996  0.85899635  0.41493091
   0.88124168  0.76643016  0.04584924
   0.93126069  0.69960288  0.77545783
   0.85682890  0.94885216  0.71944076
   0.12110368  0.75172212  0.86811081
   0.10542062  0.69815913  0.75528522
   0.01912093  0.74377536  0.81760055
   0.63373804  0.91273468  0.94579889
   0.56244881  0.83907348  0.99614561
   0.62704097  0.81042004  0.89544423
   0.53470797  0.98198717  0.74602936
   0.57273125  0.08587829  0.75967954
   0.64351627  0.00007916  0.76188943
   0.34625605  0.60204816  0.44475925
   0.40611050  0.69529058  0.45554821
   0.29615096  0.70108031  0.43757209
   0.35326158  0.35300878  0.90308220
   0.40365276  0.33411586  0.78886491
   0.45240937  0.30276780  0.90016660
   0.50655821  0.50434857  0.99600003
   0.47815438  0.39937703  0.02305905
   0.57091100  0.42046709  0.95553643
   0.76223205  0.69831078  0.55998289
   0.67019978  0.64037187  0.58660878
   0.68027639  0.74475237  0.62942403
   0.85965788  0.03541226  0.84343336
   0.84720520  0.98083604  0.95615710
   0.76972445  0.97227279  0.86311862
   0.09296031  0.00335230  0.91743808
   0.00462853  0.03206649  0.98902280
   0.10702669  0.05776620  0.02990469
   0.33558154  0.80537161  0.64867737
   0.33623718  0.79155725  0.77806764
   0.26007997  0.73961456  0.70541140
   0.57146061  0.45341658  0.25688676
   0.62338083  0.44421124  0.37172992
   0.66107504  0.38831725  0.26800643
   0.24393218  0.21254539  0.45016389
   0.23018103  0.23496376  0.32338505
   0.16232777  0.16315194  0.38324630
   0.70408006  0.80965874  0.06387585
   0.76053169  0.71468987  0.05038604
   0.65038311  0.71592968  0.03311226
   0.23197909  0.55443205  0.08896093
   0.25836737  0.52228129  0.96795237
   0.33611607  0.52360180  0.06114807
   0.85109542  0.01519352  0.11316994
   0.92662755  0.95730497  0.04568883
   0.84467913  0.90427945  0.10813034
   0.37875324  0.05146239  0.12602089
   0.28943912  0.09963178  0.07270500
   0.34738507  0.15281163  0.16491189
   0.02171045  0.29154742  0.47679639
   0.91932706  0.24978718  0.46384322
   0.00496664  0.20139614  0.40317462
   0.90440881  0.25826754  0.20116235
   0.96600494  0.18412707  0.13640719
   0.89140626  0.14978182  0.22423029
   0.10853598  0.37911018  0.60100768
   0.03706464  0.40270779  0.69700669
   0.13946013  0.36690342  0.72557050
   0.09468541  0.97750508  0.38118461
   0.05509622  0.08571302  0.41249929
   0.98865529  0.99123932  0.42026824
   0.29703313  0.38983445  0.62919548
   0.27214383  0.49676311  0.64757077
   0.19629525  0.42791169  0.59719888
   0.15437840  0.57754371  0.80069964
   0.16900331  0.50019111  0.70861511
   0.07436377  0.50312566  0.77700267
   0.32012203  0.00193023  0.66711115
   0.20980386  0.01526331  0.66298208
   0.27687304  0.10190819  0.64103391
   0.28054083  0.05209474  0.26879242
   0.24621092  0.13108395  0.18635234
   0.17574965  0.08897696  0.27436122
   0.83196422  0.14923069  0.58621534
   0.91539243  0.10319806  0.51921184
   0.86202457  0.04418889  0.61038178
   0.15100642  0.13430227  0.93099566
   0.16528802  0.18811499  0.81802492
   0.20716581  0.23022265  0.92836473
   0.70521280  0.60373784  0.41773302
   0.75568424  0.50520058  0.40575215
   0.65470187  0.51144664  0.45984286
   0.97504303  0.89547608  0.67197265
   0.87735857  0.84308711  0.67770216
   0.96885674  0.78717431  0.64338517
   0.97490668  0.83731436  0.86159660
   0.99677205  0.93169615  0.92548142
   0.07567377  0.85411793  0.91307333
   0.75369795  0.71141816  0.83399955
   0.78734056  0.81712325  0.83996750
   0.85278742  0.73605259  0.88544467
   0.39800968  0.68622986  0.76329764
   0.42231413  0.74086538  0.87324328
   0.49937595  0.67748367  0.81585735
   0.42395244  0.88332983  0.04599817
   0.38874234  0.79205175  0.10793883
   0.47742350  0.78698094  0.02956643
   0.98694325  0.04223280  0.53510229
   0.02226753  0.93378576  0.50052568
   0.10198310  0.01986355  0.51967463
   0.46696882  0.11521717  0.91209532
   0.36021598  0.08686046  0.89739724
   0.43838284  0.00905768  0.89963095
   0.42768262  0.51833163  0.30855978
   0.45208190  0.41001670  0.31593347
   0.34656710  0.44252716  0.30712158
Direct configuration=     2
   0.08040875  0.02899620  0.19188765
   0.25114497  0.23891338  0.64171540
   0.68402997  0.23165101  0.64136880
   0.30444759  0.24864082  0.63818398
   0.70868245  0.45213818  0.52690275
   0.24345255  0.35488285  0.97920407
   0.06933886  0.63433960  0.88020743
   0.20453748  0.03127902  0.45712733
   0.65294552  0.93300563  0.38863870
   0.20229750  0.73770985  0.06504755
   0.66181691  0.23760573  0.55807843
   0.55923670  0.63817186  0.13457485
   0.60579657  0.36436683  0.12326379
   0.45577326  0.43420443  0.88129031
   0.32874264  0.89359500  0.17435065
   0.31730191  0.90309185  0.11924320
   0.79070613  0.32310424  0.70217450
   0.80732575  0.17150858  0.39562517
   0.08242058  0.70015227  0.82860669
   0.58427258  0.85982891  0.92228699
   0.58066710  0.02129994  0.78287241
   0.35616950  0.66759080  0.41815018
   0.41855986  0.35691336  0.86285339
   0.49540379  0.43836954  0.96324795
   0.71506168  0.68571114  0.60887499
   0.81853519  0.00722391  0.89644512
   0.06670873  0.00348252  0.99937024
   0.29505754  0.79650167  0.71268714
   0.60160307  0.41786119  0.30284014
   0.22642750  0.18407246  0.37284011
   0.69847118  0.75049126  0.07479560
   0.28491450  0.56159090  0.03034611
   0.88820976  0.95589807  0.11066465
   0.34798200  0.10694451  0.09503822
   0.98425576  0.26516223  0.43343839
   0.94311759  0.19502615  0.21643215
   0.08615635  0.35014259  0.67340947
   0.26279451  0.44730463  0.59137807
   0.13940925  0.50824204  0.77590211
   0.26882262  0.04328371  0.68356986
   0.22684084  0.07961518  0.21856205
   0.88303653  0.10575215  0.58554917
   0.15113105  0.19515477  0.89910032
   0.71839620  0.54458091  0.45876923
   0.94257911  0.84060676  0.63108492
   0.00679132  0.86127335  0.92084012
   0.80744129  0.75455332  0.83314637
   0.43350473  0.68114843  0.82776113
   0.41269686  0.80837643  0.03520741
   0.01196685  0.01532402  0.49586748
   0.42327824  0.07259942  0.84625185
   0.40877672  0.46309758  0.34739734
   0.09076187  0.17957949  0.60199178
   0.95104501  0.96122775  0.22531290
   0.63108423  0.91529303  0.51951626
   0.95155464  0.13912587  0.68289976
   0.11741875  0.91406492  0.60875071
   0.04680450  0.26329739  0.91692129
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Direct configuration=     4
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Direct configuration=     5
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   0.07540059  0.85492769  0.91292995
   0.74712159  0.71203667  0.84174165
   0.78490594  0.81824011  0.84059862
   0.85059537  0.73507638  0.88824863
   0.39672540  0.68831667  0.75798849
   0.42011406  0.74102791  0.87288696
   0.49874438  0.67601355  0.81329205
   0.42849510  0.88279129  0.04801738
   0.38941932  0.79059912  0.10678021
   0.48006007  0.78914302  0.02744830
   0.97582109  0.04956620  0.53657578
   0.02129116  0.93124477  0.49672552
   0.10215803  0.02447243  0.50555314
   0.47411024  0.12022782  0.91418101
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   0.43431873  0.00843849  0.90216248
   0.43083514  0.52066394  0.30832463
   0.45030798  0.40978214  0.31506249
   0.35154656  0.43425316  0.30763917
Direct configuration=     7
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   0.22558472  0.22887995  0.63530135
   0.69122477  0.23462524  0.66214415
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   0.23236633  0.37234723  0.95768476
   0.06654981  0.63218953  0.88273505
   0.19838882  0.03673838  0.45834881
   0.65311740  0.93287883  0.38846302
   0.18777718  0.71543232  0.07974491
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   0.58412067  0.62508090  0.13576790
   0.61373211  0.36068601  0.12573968
   0.45530642  0.43416190  0.87860617
   0.33406903  0.88858903  0.20974054
   0.31365883  0.90706954  0.07801106
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   0.08152956  0.70466310  0.82849812
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   0.58079368  0.02114619  0.78253168
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   0.71378240  0.68637339  0.61080908
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   0.69993289  0.74743843  0.07482525
   0.28321436  0.55847887  0.03168480
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  -0.00139885  0.20136553  0.27662272
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   0.34900559  0.43794275  0.30733379
Direct configuration=     8
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Direct configuration=     9
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Direct configuration=    11
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