#MD System 2.0 @Title neb0_image02 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.205454289307 0.52896184186 0.309398878251} C1 1 1 14 {} {0.259141016538 0.491296437774 0.268052272122} Si1 2 1 14 {} {0.158420476981 0.537103561032 0.229081931396} Si2 3 1 8 {} {0.271637043121 0.522898489729 0.16926166387} O1 4 1 8 {} {0.299448309453 0.512192609295 0.338628597306} O2 5 1 6 {} {0.256946575908 0.398219960119 0.26200714855} C2 6 1 6 {} {0.126710849497 0.457488799802 0.211529548333} C3 7 1 8 {} {0.182415040945 0.562807066686 0.134323845591} O3 8 1 8 {} {0.123260549788 0.598060858168 0.257653542729} O4 9 1 14 {} {0.350708775125 0.54121928654 0.344733778304} Si3 10 1 7 {} {0.385584160709 0.478462489009 0.38636570293} N1 11 1 14 {} {0.439639408854 0.475875790896 0.343983424946} Si4 12 1 14 {} {0.365361619036 0.423925308262 0.468907089105} Si5 13 1 7 {} {0.335690910831 0.461121189163 0.554021968344} N2 14 1 7 {} {0.461810090296 0.555421130275 0.349346991693} N3 15 1 1 {} {0.193770513362 0.500947175547 0.368317125338} H1 16 1 1 {} {0.213257675567 0.579916375246 0.333071677581} H2 17 1 1 {} {0.246510534541 0.544376354975 0.139226844521} H3 18 1 1 {} {0.251508582707 0.374896733494 0.32755183586} H4 19 1 1 {} {0.288603801885 0.378996061331 0.235252704244} H5 20 1 1 {} {0.230200115595 0.381600963301 0.216870092947} H6 21 1 1 {} {0.100404976571 0.464096310928 0.161121923106} H7 22 1 1 {} {0.110864254253 0.439859710057 0.273433838638} H8 23 1 1 {} {0.148972206291 0.417506858705 0.187994920435} H9 24 1 1 {} {0.163693585673 0.586417732998 0.091731491562} H10 25 1 1 {} {0.0947561736286 0.585267913033 0.283028710929} H11 26 1 1 {} {0.367377283129 0.561687111952 0.255290035044} H12 27 1 1 {} {0.349341060265 0.599845245283 0.406048573794} H13 28 1 1 {} {0.463672199116 0.423207504657 0.396196787047} H14 29 1 1 {} {0.441415544955 0.457936060316 0.247435701327} H15 30 1 1 {} {0.334118467387 0.374636018853 0.428022505553} H16 31 1 1 {} {0.404882053888 0.389784693603 0.507981529758} H17 32 1 1 {} {0.304110382179 0.476971659604 0.542048796665} H18 33 1 1 {} {0.351131243311 0.492467502114 0.597885487056} H19 34 1 1 {} {0.485276672341 0.570130435118 0.304246372472} H20 35 1 1 {} {0.466568835412 0.578414841275 0.408818362785} H21 36 1 6 {} {0.6554022562 0.637769479705 0.502575140222} C4 37 1 14 {} {0.615775296134 0.573479100357 0.456334934333} Si6 38 1 14 {} {0.652541438522 0.724413081173 0.457643779393} Si7 39 1 8 {} {0.611781441963 0.582011367272 0.346794347675} O5 40 1 8 {} {0.636004883326 0.498978904531 0.479417723798} O6 41 1 6 {} {0.558881456284 0.579250471165 0.506574505189} C5 42 1 6 {} {0.60491320312 0.774777912233 0.502579897844} C6 43 1 8 {} {0.648100861451 0.713085091321 0.347179547137} O7 44 1 8 {} {0.69994402737 0.766535685468 0.472251861266} O8 45 1 14 {} {0.646247597634 0.420992026366 0.451512616139} Si8 46 1 7 {} {0.600914396861 0.368550340965 0.469290354958} N4 47 1 14 {} {0.580948133782 0.319697944716 0.380157156778} Si9 48 1 14 {} {0.576240430093 0.364435632971 0.575155155803} Si10 49 1 7 {} {0.611474217573 0.384066830945 0.661588270332} N5 50 1 7 {} {0.615235501134 0.256401363833 0.341363160172} N6 51 1 1 {} {0.651597520913 0.639112690658 0.575731905895} H22 52 1 1 {} {0.689580443394 0.619645726252 0.489312397221} H23 53 1 1 {} {0.624910262203 0.62353027033 0.323778149766} H24 54 1 1 {} {0.558804269459 0.570513181356 0.578971800061} H25 55 1 1 {} {0.537438054556 0.541239940444 0.475427849683} H26 56 1 1 {} {0.543987550427 0.628561830857 0.493848476196} H27 57 1 1 {} {0.604211682117 0.825158740169 0.473065660167} H28 58 1 1 {} {0.607140702138 0.780527866648 0.575458741228} H29 59 1 1 {} {0.572747019314 0.750709400823 0.487867347072} H30 60 1 1 {} {0.656591940727 0.750218914757 0.308885981931} H31 61 1 1 {} {0.700455788378 0.800627721632 0.517622442581} H32 62 1 1 {} {0.657648908023 0.41587529967 0.354941506636} H33 63 1 1 {} {0.685436929676 0.40062236509 0.506445849691} H34 64 1 1 {} {0.539157170601 0.28854454696 0.413854524275} H35 65 1 1 {} {0.573091760779 0.363088267433 0.300942828709} H36 66 1 1 {} {0.538411423796 0.412700579647 0.582583462813} H37 67 1 1 {} {0.559592017976 0.294648512403 0.587426309377} H38 68 1 1 {} {0.617174170308 0.43314636167 0.677897613988} H39 69 1 1 {} {0.638408930528 0.355211239351 0.676597187546} H40 70 1 1 {} {0.639778592879 0.267196340387 0.297778625581} H41 71 1 1 {} {0.624442384473 0.217959813364 0.382079542708} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end