#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 {} {0.205092982018 0.528695231789 0.309849067135} C1 1 1 14 {} {0.259034122501 0.491730124457 0.267998386301} Si1 2 1 14 {} {0.158386837297 0.537220420384 0.228879382574} Si2 3 1 8 {} {0.27165801086 0.524944105385 0.170259091467} O1 4 1 8 {} {0.298977923659 0.511997434532 0.339017821184} O2 5 1 6 {} {0.257058632089 0.398531907941 0.260988582779} C2 6 1 6 {} {0.12686025523 0.457492722808 0.211098141258} C3 7 1 8 {} {0.182890421772 0.563013219532 0.134575329326} O3 8 1 8 {} {0.123041595798 0.598388748766 0.255707790808} O4 9 1 14 {} {0.350477284664 0.540907504049 0.344064753976} Si3 10 1 7 {} {0.385223385718 0.478000538304 0.385700161181} N1 11 1 14 {} {0.439671937621 0.476476014759 0.344867767135} Si4 12 1 14 {} {0.364837631407 0.423813979753 0.468499487988} Si5 13 1 7 {} {0.335724481625 0.46164787557 0.55390588178} N2 14 1 7 {} {0.461643922973 0.556210344117 0.351053816414} N3 15 1 1 {} {0.193474263779 0.500102629739 0.368356627315} H1 16 1 1 {} {0.212906617536 0.579534086744 0.334051614454} H2 17 1 1 {} {0.246075258959 0.544930192633 0.139517937758} H3 18 1 1 {} {0.251902913478 0.375598478825 0.326876803912} H4 19 1 1 {} {0.288784480227 0.379560222483 0.234190741815} H5 20 1 1 {} {0.230282531812 0.381435983497 0.216275639488} H6 21 1 1 {} {0.100337920465 0.463653628872 0.161049740824} H7 22 1 1 {} {0.111327386454 0.439727561838 0.273268830212} H8 23 1 1 {} {0.149267905518 0.41769413432 0.187471865562} H9 24 1 1 {} {0.164412875327 0.586125127931 0.0913342441925} H10 25 1 1 {} {0.0946645406003 0.586010928988 0.281816151317} H11 26 1 1 {} {0.366875852777 0.560896153496 0.254130121192} H12 27 1 1 {} {0.349346015746 0.59979362491 0.405155885373} H13 28 1 1 {} {0.463681944651 0.424046633873 0.397483933501} H14 29 1 1 {} {0.441771915905 0.459150462359 0.248048915369} H15 30 1 1 {} {0.333352219442 0.374644410659 0.428241078062} H16 31 1 1 {} {0.40430487723 0.389579723758 0.507817005974} H17 32 1 1 {} {0.304101404041 0.478107569068 0.542972421332} H18 33 1 1 {} {0.351748611814 0.492012125375 0.597938716985} H19 34 1 1 {} {0.484502312664 0.571124187981 0.304992015502} H20 35 1 1 {} {0.467460476746 0.578333813136 0.41101621862} H21 36 1 6 {} {0.655103828695 0.63710903617 0.502856882219} C4 37 1 14 {} {0.615611456412 0.573267853752 0.454921648539} Si6 38 1 14 {} {0.652735806164 0.723744809179 0.457988257709} Si7 39 1 8 {} {0.613345632695 0.581546875663 0.345275214242} O5 40 1 8 {} {0.635296693494 0.498508736407 0.479192300913} O6 41 1 6 {} {0.558511310146 0.579412564936 0.503949263104} C5 42 1 6 {} {0.605161297457 0.774196100295 0.502703719153} C6 43 1 8 {} {0.64841553131 0.713012987831 0.347537438045} O7 44 1 8 {} {0.700382779506 0.76510194765 0.473665337575} O8 45 1 14 {} {0.645923811634 0.420651441344 0.451301536769} Si8 46 1 7 {} {0.600587481645 0.368454888253 0.469416269912} N4 47 1 14 {} {0.581030849125 0.319260189388 0.380909246659} Si9 48 1 14 {} {0.575934198414 0.365163798367 0.575943456896} Si10 49 1 7 {} {0.611127493693 0.383913495628 0.662871759954} N5 50 1 7 {} {0.616082123081 0.256563496721 0.343648447251} N6 51 1 1 {} {0.650964151679 0.638648965167 0.575932194158} H22 52 1 1 {} {0.689164558928 0.618283616543 0.490396402038} H23 53 1 1 {} {0.625644865883 0.623909205623 0.32347271224} H24 54 1 1 {} {0.558692051335 0.569437239338 0.576096233841} H25 55 1 1 {} {0.536430572257 0.542466806365 0.472172811125} H26 56 1 1 {} {0.544090524424 0.629386327378 0.493132681334} H27 57 1 1 {} {0.604415422734 0.824635157187 0.473331914244} H28 58 1 1 {} {0.60722608964 0.779720864886 0.575634317825} H29 59 1 1 {} {0.573099638337 0.750028573322 0.487503132715} H30 60 1 1 {} {0.656467434729 0.750387795464 0.309584310217} H31 61 1 1 {} {0.700711675819 0.80015221288 0.518281570798} H32 62 1 1 {} {0.657469820688 0.415584949155 0.354570420741} H33 63 1 1 {} {0.685100768857 0.400265304477 0.506085434379} H34 64 1 1 {} {0.53926146225 0.287223658822 0.413800195272} H35 65 1 1 {} {0.572875015425 0.3621089457 0.301332396581} H36 66 1 1 {} {0.538745176937 0.414554019814 0.582101985026} H37 67 1 1 {} {0.558711399323 0.295762225267 0.587628621947} H38 68 1 1 {} {0.617713611343 0.432504879011 0.677835177005} H39 69 1 1 {} {0.638141238265 0.35480462576 0.675961593732} H40 70 1 1 {} {0.640701910493 0.267612556985 0.299401552041} H41 71 1 1 {} {0.625638424433 0.218784948046 0.38489972155} 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