(Si82C14N51O77)2  interface (VASP)
    1.0
            77.09190000 0.00000000 0.00000000 
            0.00000000 15.64800000 0.00000000 
            0.00000000 -0.46643968 11.47942757 
  102 154 164 28
Direct
        0.49183995 0.62944251 0.91291981
        0.53297609 0.50158466 0.84363609
        0.58195849 0.31975511 0.88559605
        0.52159827 0.78953376 0.77002650
        0.61982537 0.60372960 0.63128479
        0.50237299 0.69914189 0.43684522
        0.52220852 0.60213477 0.40076242
        0.57288147 0.58535724 0.48461845
        0.52078449 0.79147836 0.30283673
        0.51358637 0.64949715 0.24801593
        0.51970306 0.96467553 0.11352961
        0.58286200 0.56418289 0.97577172
        0.57394410 0.75832717 0.31712815
        0.54114809 0.69539432 0.03705325
        0.59415799 0.43687031 0.98914052
        0.64849334 0.42200538 0.02815008
        0.64676463 0.09615130 0.87069105
        0.60691060 0.33009138 0.51428702
        0.64649391 0.65972256 0.59843877
        0.49396281 0.82188035 0.53195128
        0.64763524 0.37353277 0.60758163
        0.67268839 0.97558240 0.56278870
        0.62428460 0.45950678 0.63162537
        0.58148942 0.46529637 0.42434578
        0.50000979 0.88570421 0.27811081
        0.57925642 0.46015544 0.20720709
        0.59492818 0.68192284 0.19646582
        0.66260338 0.26738790 0.36578203
        0.53579881 0.35893113 0.75323844
        0.69285630 0.73639393 0.58076572
        0.50823036 0.07560597 0.62975961
        0.58449088 0.20058689 0.55049282
        0.56554756 0.11196799 0.62325490
        0.53390313 0.26485871 0.42812269
        0.52176600 0.29114728 0.26810420
        0.50755438 0.08006805 0.15076641
        0.54296388 0.06014404 0.15756566
        0.54165673 0.18233354 0.07288827
        0.62113979 0.16990287 0.88242289
        0.65540103 0.87036843 0.90738252
        0.64908119 0.57839608 0.77534551
        0.63820737 0.94515349 0.76360646
        0.50695515 0.35962435 0.41167852
        0.67166441 0.64218873 0.50067413
        0.65029228 0.72514804 0.77396701
        0.61018883 0.93912419 0.62080937
        0.63108426 0.11694463 0.41804104
        0.68221907 0.74689145 0.30633902
        0.59509653 0.00339407 0.28782437
        0.61151152 0.76771895 0.09839451
        0.63620518 0.96498767 0.19501409
        0.30199234 0.15831606 0.00262279
        0.34616604 0.98112080 0.84109800
        0.40203441 0.80959701 0.88020974
        0.33157240 0.26773587 0.77188924
        0.43360660 0.06630057 0.62904976
        0.69494211 0.14904026 0.51326076
        0.33365188 0.13616711 0.32838889
        0.38856050 0.11266695 0.46404173
        0.35411164 0.31055567 0.34460164
        0.30664936 0.14285129 0.23664412
        0.33891619 0.42494506 0.09466713
        0.40166480 0.06523508 0.99777936
        0.39286287 0.25647866 0.32438450
        0.35477825 0.28080777 0.08550846
        0.41583304 0.94694305 0.98313142
        0.46604808 0.96101630 0.00487573
        0.46152950 0.60680411 0.88098641
        0.42574385 0.84280149 0.53166342
        0.45509225 0.15760205 0.65700182
        0.68939542 0.30441394 0.53269156
        0.47037412 0.85205135 0.62497569
        0.48027442 0.47474334 0.60427011
        0.44686818 0.94593160 0.62093365
        0.39781027 0.97834365 0.46080648
        0.30240953 0.39516157 0.29405090
        0.39948614 0.96198988 0.21439469
        0.41398141 0.17328867 0.17421216
        0.47584734 0.78755982 0.39763067
        0.35666633 0.85619969 0.75529284
        0.50515744 0.24951232 0.76557097
        0.33268524 0.62770838 0.59344778
        0.39858140 0.69153246 0.55024848
        0.37951527 0.60273734 0.63982839
        0.34050895 0.74554087 0.47258227
        0.33166240 0.76434980 0.28282478
        0.69649562 0.65160959 0.14995206
        0.37055943 0.58044956 0.16983103
        0.35680875 0.69066537 0.08261340
        0.43492918 0.66384143 0.88493756
        0.46730379 0.36851208 0.92666805
        0.46323032 0.06602825 0.78942006
        0.45298738 0.44987136 0.75025808
        0.69506778 0.86680888 0.44922445
        0.47237287 0.12926909 0.50566454
        0.47584272 0.24964508 0.60933959
        0.42882037 0.43376407 0.62251316
        0.44717025 0.61008321 0.41316708
        0.49500006 0.24332683 0.32523042
        0.41388625 0.49495435 0.28195271
        0.43421360 0.26516732 0.12050772
        0.45391652 0.45352365 0.21611215
        0.54037973 0.84570428 0.89346952
        0.60961914 0.67867411 0.81843938
        0.55363667 0.61029949 0.90364910
        0.55754945 0.53463397 0.07067746
        0.69353914 0.16214466 0.74558550
        0.53170680 0.68159866 0.54497448
        0.53151420 0.93548368 0.77213400
        0.53924132 0.81523584 0.63531172
        0.56062328 0.52234078 0.68130081
        0.56077427 0.65537346 0.62386556
        0.52084263 0.79745859 0.49137068
        0.53823319 0.90141444 0.47633543
        0.54910197 0.61963866 0.41089634
        0.56805046 0.26178157 0.41670667
        0.53140132 0.47977949 0.43587482
        0.52943809 0.56528138 0.03136931
        0.55039038 0.42709500 0.19125247
        0.55690420 0.49245852 0.35059350
        0.60974435 0.29499399 0.89086004
        0.63881409 0.64632829 0.95266299
        0.70049937 0.29366787 0.87615447
        0.64519048 0.23137989 0.97936651
        0.62147340 0.42700696 0.94171284
        0.59203578 0.47090386 0.59988408
        0.64910695 0.24911090 0.78787902
        0.64696183 0.22176540 0.19820423
        0.61712132 0.58743475 0.23400344
        0.65930370 0.40437856 0.43705449
        0.65056667 0.08481309 0.26546176
        0.65792138 0.24268967 0.57711813
        0.63178164 0.40195844 0.35312910
        0.62532955 0.32555419 0.05553494
        0.49799811 0.87778855 0.09444839
        0.64858138 0.36931848 0.20239018
        0.64369974 0.09526114 0.07600489
        0.63263280 0.53444154 0.08153347
        0.49832613 0.16690072 0.91387310
        0.51744265 0.08335202 0.82071734
        0.54091447 0.39079524 0.93047050
        0.59983919 0.20368144 0.71574448
        0.56681743 0.06693823 0.99978570
        0.57804091 0.68902429 0.85835339
        0.55759330 0.98380346 0.84287252
        0.51566367 0.47077648 0.68508171
        0.56611270 0.88691417 0.44424628
        0.55707442 0.01455340 0.49268507
        0.49777462 0.13682873 0.44952691
        0.54681708 0.06560490 0.33955673
        0.54972544 0.35557561 0.34322503
        0.59632043 0.20419039 0.33935974
        0.54554060 0.14928596 0.49212123
        0.55075752 0.84155695 0.21965140
        0.58673861 0.98452295 0.49437975
        0.52622654 0.06752570 0.99691489
        0.51838089 0.43503196 0.27581686
        0.58243361 0.98533515 0.11351372
        0.56132127 0.79840307 0.98957598
        0.58251009 0.94010648 0.93427492
        0.59285184 0.79479956 0.94728651
        0.60728037 0.90035772 0.84269062
        0.50700764 0.38475259 0.79978623
        0.67719893 0.77506804 0.83534447
        0.58397267 0.02506590 0.70450406
        0.63930155 0.89307064 0.54913512
        0.62917864 0.16312077 0.69116692
        0.66055806 0.85370592 0.68581610
        0.59220606 0.85631651 0.39524023
        0.63548820 0.85842533 0.33237816
        0.65286920 0.96807178 0.39437995
        0.68170172 0.59246792 0.32292320
        0.63447717 0.76276728 0.48986159
        0.60795104 0.87568202 0.24522242
        0.62108737 0.18879906 0.07628555
        0.50222350 0.35962371 0.15256262
        0.66068388 0.54919328 0.96885468
        0.66404927 0.73253720 0.00544939
        0.63520852 0.98177572 0.95743712
        0.35222291 0.35263317 0.92196956
        0.43252636 0.16617824 0.77470881
        0.36186406 0.11974190 0.96100743
        0.37640990 0.02418474 0.08820072
        0.50405270 0.57817234 0.76018880
        0.33795219 0.13568219 0.52674087
        0.34061264 0.40793214 0.76695137
        0.35949287 0.32340073 0.65857303
        0.38133784 0.02725643 0.65831322
        0.38093699 0.16917889 0.66096591
        0.33241474 0.27310096 0.47947742
        0.34922711 0.39965404 0.50813191
        0.36117796 0.10186973 0.41046674
        0.38552912 0.76978041 0.40972059
        0.34374601 0.99226016 0.43732295
        0.34414951 0.01618021 0.02754730
        0.37257521 0.89952880 0.20673423
        0.37551191 0.98609500 0.35411327
        0.43046156 0.79499929 0.89137831
        0.46153824 0.11704609 0.96843757
        0.50403347 0.76646907 0.91042763
        0.45640451 0.73947096 0.94293356
        0.44191467 0.90876291 0.94862802
        0.41360949 0.96715369 0.60645148
        0.46874361 0.74782696 0.77960761
        0.45505102 0.71159677 0.24810380
        0.43917643 0.08832094 0.23087599
        0.46392993 0.90491865 0.46467624
        0.46392052 0.57439605 0.26683134
        0.46560595 0.72194992 0.57815663
        0.44726817 0.87163476 0.31925308
        0.44987598 0.82663724 0.08479593
        0.69847666 0.32237967 0.08984109
        0.46041704 0.93577764 0.18510321
        0.45739144 0.56682960 0.08029127
        0.44221859 0.03499887 0.05055497
        0.30855503 0.69676812 0.87793493
        0.32937442 0.58926933 0.82783075
        0.36232449 0.88076703 0.95362175
        0.41765207 0.72528889 0.71208945
        0.38835270 0.57027778 0.99025764
        0.39552722 0.18820063 0.86530052
        0.37158084 0.46922846 0.83992573
        0.33107960 0.93258088 0.67716127
        0.38468589 0.35713302 0.47466263
        0.37008071 0.49992016 0.48588090
        0.32161864 0.63719998 0.40343913
        0.35659144 0.53729239 0.32765629
        0.35724369 0.85151191 0.36073273
        0.41502317 0.70045847 0.37369240
        0.36074400 0.63346218 0.49219420
        0.36511321 0.38315791 0.20425232
        0.40738601 0.50051855 0.49075584
        0.34045915 0.55576666 0.01526773
        0.32396718 0.93328897 0.25607030
        0.40179025 0.47929345 0.10621479
        0.37968585 0.31523158 0.97929510
        0.40094240 0.43083567 0.91758408
        0.41321722 0.29148397 0.96316158
        0.42752164 0.39648501 0.85261929
        0.31511533 0.84691449 0.82527606
        0.47480199 0.25220738 0.81567528
        0.40433513 0.54316851 0.68410045
        0.45644253 0.38960722 0.55603576
        0.44638653 0.65937172 0.70974850
        0.47445735 0.36746749 0.72828855
        0.41290587 0.36493228 0.41861206
        0.45404466 0.34104159 0.33669061
        0.46887962 0.46814755 0.41484625
        0.49134175 0.06234967 0.29308603
        0.45404502 0.25756861 0.48702943
        0.42683205 0.37076800 0.24881727
        0.44150852 0.68383519 0.07636575
        0.31454280 0.84550674 0.07919418
        0.46720006 0.06104051 0.14947468
        0.47541126 0.23265155 0.99330612
        0.45107765 0.48321626 0.93458601
        0.56672953 0.38414156 0.03765170
        0.52331882 0.65510136 0.87508046
        0.50738068 0.48413621 0.95328582
        0.51264785 0.91688584 0.92419332
        0.56414292 0.47552319 0.87259114
        0.54915594 0.72174351 0.78246779
        0.50378703 0.69929652 0.64463529
        0.53377893 0.58682206 0.68277471
        0.51338403 0.92348743 0.61327848
        0.58727655 0.56132856 0.76511351
        0.55631589 0.75609743 0.48202061
        0.55673572 0.42716897 0.53020860
        0.50496874 0.54461437 0.53515538
        0.52938682 0.94347921 0.29481950
        0.59166602 0.66121189 0.60476337
        0.54431823 0.70262219 0.24503040
        0.57160064 0.29411156 0.19878657
        0.50912335 0.69561485 0.07366063
        0.53600520 0.55078278 0.22427739
        0.52780487 0.82402780 0.08589832
        0.57141234 0.60209735 0.26003033
        0.57098693 0.68008547 0.07607879
        0.67684499 0.14501507 0.99158790
        0.59892607 0.40772575 0.77303331
        0.61949239 0.53895568 0.82183141
        0.67083356 0.32155987 0.97037912
        0.64706913 0.42044324 0.81408397
        0.66420121 0.11015223 0.69359112
        0.61148882 0.48842018 0.44227986
        0.62256913 0.30968115 0.69255537
        0.67588008 0.32999843 0.72971110
        0.66425297 0.50741145 0.60771153
        0.66308097 0.11711794 0.45667975
        0.59354757 0.35402431 0.33160398
        0.63234758 0.26531627 0.45138664
        0.69307763 0.47555567 0.45880259
        0.65187403 0.51885272 0.30366495
        0.68074260 0.17096577 0.23092639
        0.61002735 0.44074237 0.17317361
        0.61863510 0.28119538 0.24384055
        0.60917242 0.62434093 0.01953564
        0.68080987 0.38459676 0.25932364
        0.68879542 0.49249487 0.06234390
        0.56935651 0.84204126 0.80100810
        0.54786738 0.12323143 0.86597076
        0.52810425 0.25301215 0.91013637
        0.58732810 0.13591340 0.88075160
        0.55786856 0.93028602 0.64861112
        0.51424537 0.22188410 0.56474068
        0.53810206 0.05193918 0.66303796
        0.52765363 0.37381265 0.56223707
        0.56778972 0.22154353 0.76399610
        0.55128790 0.27170021 0.60071292
        0.56574420 0.96172149 0.27598493
        0.52013427 0.14455276 0.31099084
        0.52352746 0.04058465 0.46663966
        0.57592913 0.10507011 0.39165165
        0.54954549 0.20031430 0.26868862
        0.58107520 0.83458848 0.14524414
        0.51186863 0.21544874 0.09449173
        0.55112865 0.93999911 0.04391354
        0.53206320 0.33897439 0.09729633
        0.57826162 0.13460087 0.17010799
        0.68501876 0.48188570 0.82389397
        0.62758342 0.78958537 0.91629054
        0.61211823 0.04227942 0.78707425
        0.69427898 0.83059941 0.01260657
        0.67703862 0.99569769 0.84859204
        0.68182361 0.63425305 0.73581825
        0.62583374 0.80100271 0.69159994
        0.60646420 0.09975135 0.54771099
        0.49755756 0.35393838 0.60901736
        0.63778954 0.03808559 0.59307365
        0.61524145 0.74113574 0.32270428
        0.63090495 0.61443493 0.42563769
        0.61636236 0.10225691 0.23732623
        0.61818386 0.97080485 0.41661332
        0.66042802 0.63095488 0.15844968
        0.61217668 0.91466810 0.05566886
        0.64227615 0.80969478 0.12787004
        0.60553793 0.06534213 0.02467613
        0.66527262 0.96854985 0.07419270
        0.39038604 0.88315438 0.04115830
        0.32660978 0.12382022 0.85291605
        0.31334778 0.98332395 0.95861359
        0.31491241 0.44670536 0.89785550
        0.37869961 0.00283805 0.87653031
        0.36172667 0.21912365 0.81481612
        0.31014417 0.17327929 0.63686553
        0.35183350 0.08170038 0.69130554
        0.31303373 0.36311115 0.63534096
        0.40593597 0.06072454 0.77230315
        0.36871018 0.23423953 0.49384021
        0.36761369 0.92494167 0.54045901
        0.30895930 0.04242414 0.44854147
        0.33387427 0.43163701 0.30357433
        0.41010044 0.15735703 0.59408695
        0.36270184 0.18471956 0.23400506
        0.39045252 0.77595747 0.20340634
        0.33383175 0.16307605 0.09872220
        0.35116616 0.01936539 0.22656823
        0.31714780 0.31091215 0.04575900
        0.38998963 0.10082840 0.25252814
        0.38629807 0.18876660 0.07106133
        0.47677858 0.67943814 0.07072662
        0.41882117 0.90121916 0.77391164
        0.43585326 0.02876078 0.84249427
        0.47876989 0.83185972 0.95732024
        0.46303591 0.91565046 0.80377519
        0.47685269 0.61443415 0.69770008
        0.43211300 0.97493933 0.43337040
        0.44300278 0.80643233 0.69295941
        0.49324384 0.83548064 0.75022253
        0.47577868 0.00343196 0.60884823
        0.47695951 0.61054091 0.46963925
        0.40973634 0.86264762 0.35254212
        0.44512483 0.75570880 0.43754587
        0.49471578 0.96515067 0.44256088
        0.46412704 0.02343107 0.35250386
        0.48519822 0.67355225 0.27547593
        0.42887902 0.94299087 0.17999768
        0.42756779 0.77811913 0.21367707
        0.42625378 0.14975267 0.98473363
        0.47599739 0.81346375 0.19615929
        0.49077834 0.03756067 0.99688354
        0.38618718 0.32545693 0.78144959
        0.36385449 0.61989364 0.87797386
        0.33972857 0.76677610 0.92607955
        0.40475617 0.63993162 0.85836873
        0.38136991 0.44709501 0.65171498
        0.31393681 0.75783823 0.63311379
        0.35213171 0.53118693 0.68421219
        0.32282181 0.87820883 0.46944208
        0.38527453 0.73271732 0.74504181
        0.36683497 0.76989739 0.57882832
        0.38629754 0.44605141 0.31713182
        0.29891327 0.71276623 0.27868497
        0.32030700 0.49436364 0.50222408
        0.38944981 0.60469665 0.37978324
        0.36196761 0.70036155 0.29804975
        0.39895700 0.33448723 0.14851888
        0.32205515 0.67486557 0.09896745
        0.36920603 0.46012072 0.03943908
        0.34655605 0.84302462 0.13075762
        0.40123166 0.62887374 0.16966730
        0.49350298 0.99200969 0.78757882
        0.44619164 0.26189538 0.92205330
        0.42955491 0.53729448 0.78611934
        0.49780297 0.32573127 0.96182212
        0.48081141 0.49064660 0.83659146
        0.48604588 0.13903437 0.71666410
        0.44618374 0.30279630 0.71173223
        0.42521053 0.62358504 0.55417195
        0.69445895 0.88636187 0.69405932
        0.45210644 0.53919655 0.59051407
        0.42790854 0.23911324 0.33777449
        0.44327635 0.12358875 0.45238294
        0.43244389 0.60246242 0.23348742
        0.43737327 0.46457346 0.41000476
        0.48300298 0.17987130 0.16409988
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