#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 {} {0.205071407472 0.528730762941 0.309842958976} C1 1 1 14 {} {0.258994133813 0.49176160934 0.268086537237} Si1 2 1 14 {} {0.158367767357 0.537216972404 0.228855321045} Si2 3 1 8 {} {0.271620940647 0.524860073116 0.170264433094} O1 4 1 8 {} {0.299028351351 0.511977463913 0.338980678706} O2 5 1 6 {} {0.257048287756 0.398591665097 0.261004710259} C2 6 1 6 {} {0.126846458293 0.457473359944 0.211094740311} C3 7 1 8 {} {0.182872329707 0.562979563202 0.134563712844} O3 8 1 8 {} {0.123047916576 0.598374276057 0.25577673544} O4 9 1 14 {} {0.350518907142 0.540985642794 0.344098957942} Si3 10 1 7 {} {0.385252410434 0.478035216137 0.385686151708} N1 11 1 14 {} {0.439641289793 0.476434499462 0.344789764205} Si4 12 1 14 {} {0.364887598634 0.423844846901 0.468539775573} Si5 13 1 7 {} {0.335716771471 0.461602819925 0.553919920096} N2 14 1 7 {} {0.461617774635 0.556100544204 0.350984995049} N3 15 1 1 {} {0.193487754058 0.500101466699 0.3682934477} H1 16 1 1 {} {0.212939357602 0.5795423866 0.333999130642} H2 17 1 1 {} {0.246101438683 0.544941956955 0.139473556905} H3 18 1 1 {} {0.251906026819 0.375563511437 0.326817864566} H4 19 1 1 {} {0.288776829184 0.379513540911 0.234246479055} H5 20 1 1 {} {0.230291273771 0.381448672361 0.216323313722} H6 21 1 1 {} {0.100337581501 0.463686205084 0.161035862243} H7 22 1 1 {} {0.111315429216 0.439738863731 0.273294622724} H8 23 1 1 {} {0.149272957277 0.417681691203 0.187475760929} H9 24 1 1 {} {0.164400910584 0.586122947385 0.0913712670206} H10 25 1 1 {} {0.0946739034844 0.585991604941 0.281843522421} H11 26 1 1 {} {0.366865382992 0.560895449422 0.254248676604} H12 27 1 1 {} {0.349351938805 0.599741687048 0.40510052858} H13 28 1 1 {} {0.463668607359 0.42405944321 0.397426110324} H14 29 1 1 {} {0.441774198961 0.459135098838 0.248102750274} H15 30 1 1 {} {0.333376905326 0.374666211292 0.428247543941} H16 31 1 1 {} {0.404318509183 0.389560071373 0.507801723348} H17 32 1 1 {} {0.304104686985 0.478106270058 0.542978451206} H18 33 1 1 {} {0.35170623037 0.49201226826 0.597889800026} H19 34 1 1 {} {0.484502823767 0.571124081771 0.305092754095} H20 35 1 1 {} {0.467459646677 0.578359597985 0.410874974764} H21 36 1 6 {} {0.65509685611 0.637058461648 0.502798588671} C4 37 1 14 {} {0.615609474035 0.573252730769 0.454949451272} Si6 38 1 14 {} {0.652765480937 0.723765708558 0.458057619993} Si7 39 1 8 {} {0.613300128802 0.581556994352 0.345304965861} O5 40 1 8 {} {0.63533960663 0.498526095381 0.479213881557} O6 41 1 6 {} {0.558523810153 0.57940125236 0.504101337536} C5 42 1 6 {} {0.605168247268 0.774238726922 0.502730781762} C6 43 1 8 {} {0.648414782182 0.71298903142 0.347482671231} O7 44 1 8 {} {0.700331803115 0.765134894429 0.473624664023} O8 45 1 14 {} {0.645889405593 0.420649523106 0.4512788931} Si8 46 1 7 {} {0.60061710625 0.36851399312 0.469642470206} N4 47 1 14 {} {0.58109824759 0.319166033061 0.380863593914} Si9 48 1 14 {} {0.575868213228 0.365104437218 0.575475817314} Si10 49 1 7 {} {0.611188475491 0.383941116027 0.662917656865} N5 50 1 7 {} {0.616037243622 0.256568726552 0.34361052953} N6 51 1 1 {} {0.650978621544 0.638651933192 0.57591381054} H22 52 1 1 {} {0.689167062593 0.618350964319 0.490386481761} H23 53 1 1 {} {0.625641124912 0.623918595165 0.323444978927} H24 54 1 1 {} {0.558663409195 0.569478683921 0.576170493613} H25 55 1 1 {} {0.536500003182 0.542459314289 0.472247276652} H26 56 1 1 {} {0.544084675543 0.629369054036 0.493154694599} H27 57 1 1 {} {0.604405747744 0.824640183381 0.473304442536} H28 58 1 1 {} {0.607214445969 0.779737504315 0.575672865378} H29 59 1 1 {} {0.573094651034 0.750055034649 0.487511032372} H30 60 1 1 {} {0.656475275365 0.750398928767 0.309544192392} H31 61 1 1 {} {0.700706950992 0.800153005688 0.518250036136} H32 62 1 1 {} {0.657467699103 0.415593658761 0.354560703516} H33 63 1 1 {} {0.685120409673 0.400272802073 0.506144256619} H34 64 1 1 {} {0.539275258706 0.287282541224 0.413776333806} H35 65 1 1 {} {0.572869658153 0.362123355981 0.301328114479} H36 66 1 1 {} {0.538730684125 0.41453153778 0.582186188308} H37 67 1 1 {} {0.558734176927 0.295703389079 0.587675146804} H38 68 1 1 {} {0.617703435546 0.432538031757 0.677835197011} H39 69 1 1 {} {0.638166935691 0.354797109098 0.676021595097} H40 70 1 1 {} {0.640665721205 0.267621727273 0.299373207257} H41 71 1 1 {} {0.62559828972 0.218795518933 0.38482662318} 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