LKU21-V1, Si31C26O39H84 , Relax atom pos
1.00000000000000
13.4000000000000004 0.0000000000000000 0.0000000000000000
0.0000000000000000 13.4000000000000004 0.0000000000000000
0.0000000000000000 0.0000000000000000 13.4000000000000004
Si C O H
31 26 39 84
Direct
0.1306474376112971 0.1622982951537886 0.0178507903239230
0.3673192070911175 0.0337103928910567 0.3752626785307430
0.0735515356188083 0.3764629988006311 0.1035611945013170
0.2438331337817215 0.3399725989002630 0.2714062974183186
0.1582409621879955 0.1225751825837268 0.4530954753551545
0.3791909345354378 0.1167207390642942 0.9352775124889692
0.2048558646653547 0.3401737616895929 0.4417106912469205
0.5284457712682644 0.2997938154387442 0.8796599655594646
0.1320808224847074 0.5726034289649360 0.9789292179097945
0.3455708360781856 0.4501194829953684 0.4160465656711684
0.1287056112521824 0.9679687316789790 0.1733776354813633
0.3205998162360755 0.8693293867864639 0.2057001137931056
0.3494983483532438 0.6171003218882085 0.0197381923661997
0.1652929732793465 0.9394895607136202 0.5986857801454792
0.3410586916982357 0.9546343369095367 0.7639021983484267
0.5598330072837439 0.0173976148733550 0.0364573034501872
0.9384947949539051 0.1337531189893301 0.3521150483785215
0.6298492536153472 0.3932440650177148 0.0944988738206203
0.8412822230230378 0.3412108748228538 0.2053120699397009
0.5560286532557208 0.1142585904150523 0.4667966040250547
0.0152331819021818 0.0810084982924951 0.7992216663045146
0.7364200530023799 0.3268833431092142 0.7803142999803778
0.9574311987533568 0.3392919459250938 0.7786954473034187
0.5706508210217892 0.6043747399722048 0.0186391612628452
0.7794488624435515 0.5215455323887931 0.3436289889365237
0.5337961982561623 0.8082617684076816 0.1339298399704892
0.9212066669018544 0.9198593491207568 0.2406456195928629
0.5604519516998686 0.5205230986277720 0.4620165450134952
0.0219331301030811 0.6081898676838556 0.7648411667160113
0.5551866762697493 0.9677640029943038 0.6531732253119651
0.0199639158780450 0.8472490274454427 0.7634336460706327
0.1322884205737598 0.1024347193965369 0.1448747472633909
0.2654934798464098 0.1892346169293747 0.9786649731404578
0.0378280092793772 0.0912640215890145 0.9384038084961948
0.3719913103424225 -0.0046718909466593 0.2427741720699205
0.2239730722411916 0.8936021441070431 0.1058044764248037
0.2571328745417364 0.7713150193845896 0.5577584424127681
0.8766770093763077 0.2061397237595712 0.2468654412590192
0.9527155103564555 0.4142204474379652 0.1609600551821859
0.7505305508139009 0.3242439752657995 0.0918099388373228
0.9571325459231939 0.1981652671871993 0.7246770318604211
0.9486484097014019 0.4856018912700360 0.7242644958249889
0.6410069979588497 0.5557882547535562 0.3543662790173723
0.0495174944582953 0.8684839163398039 0.6303694436992047
0.6191611935945218 0.6558248578899935 0.9004111311037912
0.0885108467618245 0.3394246637752094 0.8249233488831427
0.4584264646529013 0.3850787519095985 0.7955319237998972
0.5496732894884316 0.3598084625205096 0.2010883550423659
0.6120348701345605 0.2394565844633317 0.4835624212164404
0.1004302167464435 0.4272500632338473 0.4762414672432307
0.2584945867204054 0.7858453642286473 0.2994832576622537
0.8297471098895327 0.8199351703134126 0.2443658504825812
0.4099311871133395 0.9232938627403660 0.4467010989144140
0.6998835125733740 0.4519054581800612 0.7315237034491791
0.6024554112260201 0.0608109436161840 0.1648442947707296
0.0831406578525268 0.6687483487413605 0.0651939904160704
0.6554788449565048 -0.0103912236075531 0.7447454344981568
0.0741529979079315 0.2710888216721189 0.0416803384831794
0.3253729553484163 0.4327555360259358 0.2934748801864506
0.1589519480317016 0.3734373916499376 0.1908785344562055
0.2531398683478197 0.0801580997522016 0.3911805792542521
0.0588071555251798 0.1386678790716035 0.3792281246571683
0.1319338816809290 0.0431165544956369 0.5413744657056535
0.4597088932576145 0.2034181011507256 0.8964369561897316
0.1861470753412251 0.2317169158492712 0.5012019943466792
0.5376088190222253 0.3639339390106807 0.9944528141247554
0.6460572559636459 0.2851069104649765 0.8544674024552422
0.1068069399062744 0.4627048146090301 0.0239627206632375
0.4162143996895234 0.8001348733115085 0.1665090949298085
0.3112126964303751 0.5639927943210479 0.4487516996698149
0.8160717567814280 0.5025237666741066 0.4629048416015399
0.3153018967483518 0.6076220850973660 0.1364407061483461
0.2218649849772326 0.8647695443346756 0.5191433913377227
0.3441268059894312 0.0516836266073187 0.8374491749603490
0.4439459542787794 0.9451111559567575 0.7002777392864109
0.2442775510254233 0.9646437284474667 0.6890162797251802
0.2544765362273914 0.5734459137225751 0.9571930034086854
0.0767193777946037 0.5857701628919666 0.8716401259870806
0.5519447751328944 0.8901715253391993 0.0472815389792515
0.6308839974622632 0.0583704807717427 -0.0462285926558785
0.7823989466656199 0.4046385710358505 0.2922043782412748
0.4480098242842250 0.1235008695592765 0.4063194080871282
0.5406476561641762 0.0634210694007349 0.5777023477670872
0.8461419608735831 0.3348640277917008 0.8391017259644992
0.4362386366172822 0.0499525660864763 0.0191783961045384
0.6388295705526343 0.5125541404450147 0.0653864606329170
0.8443006789409191 0.6024225816128752 0.2867737464669462
0.5634073533586783 0.6934461503614886 0.1006804107116643
0.9171002676613474 0.0121373929257416 0.3155091996467118
0.0094933457268309 0.9191380568242125 0.1608053397476573
0.4668970756188296 0.4426077333298092 0.4355518726085508
0.4998930595016861 0.6209697426880417 0.5085259220392496
0.9721148355046851 0.7272418687995014 0.7723965474484454
0.9665862476730153 0.9606712441231997 0.7895784681197765
0.5856408419507223 0.8652700331295803 0.5871434341901353
0.4561783827483394 0.5525587144539280 0.0015142949436444
0.1004700835563900 0.6200436509766732 0.6866847619779909
0.6001404511536932 0.6102568729863470 0.8351818356643229
0.5863346290213644 0.7304117740935262 0.8895212921381656
0.7007034622511762 0.6649801776691588 0.9030175879603504
0.1285781445112866 0.3612018178697100 0.7560281074690824
0.1079890258911688 0.3927330839556859 0.8830779632431367
0.1143145383854180 0.2645812289835807 0.8448192470421515
0.4842586786345033 0.4627828081323543 0.7954589162182311
0.4636174446242205 0.3562343697654697 0.7187240492794280
0.3789428057685381 0.3844325833095015 0.8161073122537166
0.5221361515815803 0.2833784018341432 0.1888247318426395
0.5927799054779861 0.3603342956591351 0.2706154700512436
0.4842950787860331 0.4084674910054575 0.2100409330526673
0.3008428917229781 0.2555048552418864 0.2256986006695692
0.6351217748738454 0.2726011535235058 0.4123301508618079
0.5586332877524323 0.2904296996944979 0.5188751596760434
0.6783313863798593 0.2338905278347946 0.5314426778463621
0.8811174559557979 0.1432503817026421 0.4462600571997777
0.0266439984281385 0.3927859299308086 0.4653628330757971
0.1081764867614046 0.4495211270692238 0.5549623980711884
0.1045536890915150 0.4958158993888470 0.4312045294725241
0.3374213060997558 0.7759608881028910 0.5745398578976365
0.2443670145694222 0.7133651782084489 0.5015075004546631
0.2180701439028074 0.7489345422338873 0.6266950616217410
0.3130988881368731 0.7352919425439332 0.3341877137627460
0.2198672556351814 0.8255565678335574 0.3596806360003988
0.2039029406461856 0.7379021675639139 0.2610897989184984
0.8572753210714227 0.7417654935725507 0.2633834711423002
0.7704859082458068 0.8397612458443605 0.2973617117139307
0.7968531029087922 0.8142625613352179 0.1691896819488837
0.5947512365617788 0.8284489757670986 0.2242085880367735
0.3996186799743243 0.9287093365092923 0.5273286008854263
0.3751004887404057 0.8541962306658388 0.4215208880991622
0.4905832835519413 0.9168056648558918 0.4317867722372988
0.7405660988399333 0.4696853473883227 0.6625552426853413
0.6203966119740478 0.4539304011211812 0.7124689365297401
0.7148706056765421 0.5108661613638000 0.7865073805802230
0.6237001341652570 0.0474579690464147 0.4078097648985626
0.6816854957856084 0.0807929564171411 0.1554456577113345
0.5630499188314552 0.1272496507134280 0.1925700960705967
0.5993429033857842 0.0048824205105023 0.2249530284946267
0.1146011683047766 0.0743413418589470 0.7504846125555239
0.1299926209957140 0.6753044885902215 0.1320101845884655
0.0759173515685160 0.7417350090957048 0.0287011872259782
0.0081482199351257 0.6457232838410393 0.0898175314629359
0.1421084066947165 0.9555267968320968 0.2829865183830985
0.6371314463002619 0.0415537114458380 0.8064742804351330
0.6750514723241464 0.9195626919223200 0.7831899818950050
0.7228187581121861 0.0164256372995503 0.7058550568945163
0.6151089964697865 0.4715454750323181 0.5444905022774038
0.3683521848047033 0.6017925989304536 0.4762378792392694
0.8803381973057074 0.5346056529934202 0.4723868259807234
0.3282300314137345 0.8629463505141978 0.8238299922070397
0.3569865345979544 0.6387397406366202 0.1869790189720998
0.4907600827533433 0.4229911340615720 0.9957694609172680
0.3722832907286857 0.7187652984063704 0.9839314207545582
0.1055943639789395 0.8414676745888878 0.8343350624684550
0.6501121647052357 0.8397753800928173 0.6088574695175827
0.7446032683396911 0.2518626848575194 0.6989888282029829
0.5324993984056715 0.6858891016325372 0.5135113913225370
0.2011482752912816 0.1279909684068580 0.1825288776153732
0.2918128029839971 0.2333772527127221 0.0435429789369895
0.0517895612847326 0.0118219069846348 0.9565641375867983
0.4520175927301939 -0.0094386064254362 0.2251367730997511
0.2556288768334672 0.9349677727462100 0.0424234280636502
0.9070350764104155 0.1757967628080408 0.1760696624522464
0.9198357532269340 0.4715557493767927 0.1116791579516117
0.7927294565024522 0.3426969701990250 0.0235134242577782
0.0058570880647931 0.1954345467584220 0.6580804627970305
0.8686233034573074 0.5028304820699174 0.7267396338325782
0.6443314321120086 0.6382650928362031 0.3563900586437190
-0.0137568479373285 0.9112596464156888 0.5998294323369269
0.0717713239190218 0.1391164786446450 0.1866134325752388
0.2582622081933295 0.2448135877270223 0.9180594515215256
0.9659584263074762 0.1086536405405908 0.9753097484929965
0.3438445623799575 0.0528956970849787 0.1914882896202935
0.1934620576126802 0.8226149085948762 0.0791592266820057
0.8022274102043701 0.1697428571548513 0.2537514781022172
-0.0249963841822418 0.4582731744138478 0.2271349081129792
0.7302439070094353 0.2445410050026592 0.0838768891149223
0.8817686100791292 0.1793367812646477 0.6976349538223581
0.9658017082004254 0.4843676380661714 0.6433879038183126
0.6019839259898894 0.5391806675447188 0.2839642426867196
0.0543430179320632 0.7983012633956095 0.5881244630102590
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00
0.00000000E+00 0.00000000E+00 0.00000000E+00