#MD System 2.0 @Title neb0_image03 @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 {} {0.207704671938 0.528231561087 0.314033665193} C1 1 1 14 {} {0.261626101429 0.491223407447 0.272249439426} Si1 2 1 14 {} {0.161021492383 0.536705459186 0.233037159094} Si2 3 1 8 {} {0.274169316629 0.524197924284 0.174339541809} O1 4 1 8 {} {0.301615297298 0.51150215753 0.343086749237} O2 5 1 6 {} {0.259631277849 0.398049494128 0.265255229747} C2 6 1 6 {} {0.129445337812 0.457020262773 0.215284532962} C3 7 1 8 {} {0.185522485555 0.562547015431 0.138759121474} O3 8 1 8 {} {0.125697406326 0.597848172578 0.260073808331} O4 9 1 14 {} {0.353109397004 0.540461784788 0.348367281626} Si3 10 1 7 {} {0.387816523638 0.477531649223 0.389992217938} N1 11 1 14 {} {0.442163549642 0.475892716299 0.348844085667} Si4 12 1 14 {} {0.367439922107 0.423345587219 0.47273603094} Si5 13 1 7 {} {0.338295686652 0.461101950256 0.558132001206} N2 14 1 7 {} {0.463969915657 0.555711101638 0.354752314268} N3 15 1 1 {} {0.196083739451 0.499629225413 0.372502161647} H1 16 1 1 {} {0.215554871288 0.579079017473 0.338155756387} H2 17 1 1 {} {0.248694261196 0.544473976909 0.143624574453} H3 18 1 1 {} {0.254476967872 0.375026961826 0.331069862582} H4 19 1 1 {} {0.291352737397 0.379014028022 0.238490654044} H5 20 1 1 {} {0.23286437241 0.380983039171 0.220532958887} H6 21 1 1 {} {0.102935914798 0.463243851117 0.165230257674} H7 22 1 1 {} {0.113900421956 0.439302498141 0.277477566315} H8 23 1 1 {} {0.151843393771 0.417193917522 0.191688077128} H9 24 1 1 {} {0.166996265565 0.585657424069 0.0956102261056} H10 25 1 1 {} {0.0972926843636 0.585476885145 0.28605821991} H11 26 1 1 {} {0.369491575436 0.560473120019 0.25850935775} H12 27 1 1 {} {0.351947415386 0.599328714413 0.409420356638} H13 28 1 1 {} {0.466270200307 0.423606618663 0.401553646466} H14 29 1 1 {} {0.444336187865 0.458503938444 0.252093069497} H15 30 1 1 {} {0.335982530445 0.374180477637 0.432421077842} H16 31 1 1 {} {0.406922595543 0.389066395281 0.511965511902} H17 32 1 1 {} {0.306690421727 0.477610520283 0.547150202983} H18 33 1 1 {} {0.35428866186 0.491563677 0.602095850882} H19 34 1 1 {} {0.48709600554 0.570543631754 0.309186586484} H20 35 1 1 {} {0.46973380838 0.577884759386 0.414696380085} H21 36 1 6 {} {0.652556271593 0.637637160698 0.498618903069} C4 37 1 14 {} {0.613098568253 0.573824898866 0.450790734502} Si6 38 1 14 {} {0.650170801809 0.72427317748 0.453751236697} Si7 39 1 8 {} {0.610584925348 0.582099488246 0.34113988401} O5 40 1 8 {} {0.63282827791 0.499064874736 0.475027187993} O6 41 1 6 {} {0.556109497186 0.579914135979 0.500232935863} C5 42 1 6 {} {0.602578104905 0.774708758371 0.498495112641} C6 43 1 8 {} {0.645999074267 0.713436536387 0.343264101409} O7 44 1 8 {} {0.697775166932 0.765650359481 0.469455542811} O8 45 1 14 {} {0.643329354467 0.421153361948 0.447122923095} Si8 46 1 7 {} {0.598017934169 0.368993655537 0.465391731371} N4 47 1 14 {} {0.578442465992 0.319682488898 0.376667446186} Si9 48 1 14 {} {0.573218621447 0.365558389143 0.571485007955} Si10 49 1 7 {} {0.608624221757 0.384434902701 0.658706528174} N5 50 1 7 {} {0.613378019889 0.257062650726 0.339320902711} N6 51 1 1 {} {0.648391935471 0.639131327988 0.571693778089} H22 52 1 1 {} {0.686620135353 0.618903019594 0.486157567482} H23 53 1 1 {} {0.623018972903 0.624361027301 0.319223059132} H24 54 1 1 {} {0.556151257547 0.570068062659 0.572365115273} H25 55 1 1 {} {0.534243730166 0.542775363472 0.46836681582} H26 56 1 1 {} {0.541553685454 0.629794923558 0.489069795086} H27 57 1 1 {} {0.601802930404 0.825127384419 0.469086617749} H28 58 1 1 {} {0.604615980596 0.780243387809 0.571439310789} H29 59 1 1 {} {0.570500258466 0.750564166536 0.483325370466} H30 60 1 1 {} {0.653887231082 0.750888821798 0.305280599942} H31 61 1 1 {} {0.698102347732 0.800679627655 0.514064723531} H32 62 1 1 {} {0.654849926352 0.416102219232 0.350421442344} H33 63 1 1 {} {0.682526656105 0.400787257112 0.501964958974} H34 64 1 1 {} {0.536646144281 0.287791994368 0.409601368791} H35 65 1 1 {} {0.570253077659 0.362603623493 0.297185764304} H36 66 1 1 {} {0.536090389041 0.414979038375 0.578072954409} H37 67 1 1 {} {0.556153600776 0.296142769318 0.583489234474} H38 68 1 1 {} {0.615071525744 0.432961460838 0.673585117128} H39 69 1 1 {} {0.635520282062 0.355352963852 0.671822614919} H40 70 1 1 {} {0.638029063305 0.268121238784 0.295083107573} H41 71 1 1 {} {0.622954012142 0.219215480846 0.380563085378} 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