#MD System 2.0 @Title neb0_image08 @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 {} {0.274338397941 0.516946116226 0.422605875668} C1 1 1 14 {} {0.321330017092 0.475171782592 0.381344408681} Si1 2 1 14 {} {0.232911770955 0.524732639439 0.343487076121} Si2 3 1 8 {} {0.337415109738 0.483356474065 0.272063367945} O1 4 1 8 {} {0.336299791785 0.537053960863 0.476320837807} O2 5 1 6 {} {0.330011891938 0.381295551248 0.384848799795} C2 6 1 6 {} {0.200515693025 0.445678284708 0.32701094411} C3 7 1 8 {} {0.258558025151 0.56963315906 0.261361803748} O3 8 1 8 {} {0.19654821231 0.572615337538 0.391065405008} O4 9 1 14 {} {0.396731310493 0.528061852179 0.430741229833} Si3 10 1 7 {} {0.365355535117 0.385391361788 0.450817330274} N1 11 1 14 {} {0.313797390415 0.328808190673 0.0297744381077} Si4 12 1 14 {} {0.414689656056 0.389271373751 0.607088581367} Si5 13 1 7 {} {0.395633297263 0.439676825274 0.707807493078} N2 14 1 7 {} {-0.0787651005261 0.701198878117 -0.559817718478} N3 15 1 1 {} {0.26683340041 0.487772433249 0.483292710848} H1 16 1 1 {} {0.291987805839 0.566249420188 0.443417978481} H2 17 1 1 {} {0.319849716005 0.532160712765 0.245759862995} H3 18 1 1 {} {0.322794562509 0.353524723206 0.444721153025} H4 19 1 1 {} {0.360409890627 0.357777276264 0.360172621512} H5 20 1 1 {} {0.303382608737 0.369901818728 0.338736868762} H6 21 1 1 {} {0.174050273703 0.456529253653 0.278784848761} H7 22 1 1 {} {0.18350797248 0.43415764225 0.392153124506} H8 23 1 1 {} {0.218820871574 0.399750720439 0.307520509116} H9 24 1 1 {} {0.231338070389 0.577431117134 0.210745866098} H10 25 1 1 {} {0.165864475308 0.555334410633 0.411445781915} H11 26 1 1 {} {0.399623809153 0.536832860647 0.35040686022} H12 27 1 1 {} {0.431343678652 0.579484011003 0.523527008122} H13 28 1 1 {} {0.524265182299 0.644970493165 0.316075815347} H14 29 1 1 {} {0.439321784746 0.113304422487 0.0939473763014} H15 30 1 1 {} {0.386224530362 0.312610862852 0.585625015884} H16 31 1 1 {} {0.47622041876 0.37706398536 0.617056085175} H17 32 1 1 {} {0.374705919717 0.470120121632 0.671930353992} H18 33 1 1 {} {0.413181462629 0.483325483525 0.7229383673} H19 34 1 1 {} {0.274781865394 0.477075819859 0.178708570052} H20 35 1 1 {} {-0.392953461035 0.741565482391 -0.501628672203} H21 36 1 6 {} {0.767893002303 0.704665012177 0.390198106168} C4 37 1 14 {} {0.758664539161 0.662600037605 0.538127739375} Si6 38 1 14 {} {0.618636970301 0.765651294532 0.322456481878} Si7 39 1 8 {} {0.466773737471 0.643062364786 0.49773519169} O5 40 1 8 {} {0.651701949039 0.50626698331 0.353203374795} O6 41 1 6 {} {0.863724829858 0.688608959349 1.08406463203} C5 42 1 6 {} {0.53958270844 0.777763096018 0.377921922378} C6 43 1 8 {} {0.594705970307 0.726396356342 0.219859966151} O7 44 1 8 {} {0.648161354578 0.859018563489 0.320175794038} O8 45 1 14 {} {0.590064277012 0.417117272203 0.350594056631} Si8 46 1 7 {} {0.526945697091 0.377189906362 0.338700201092} N4 47 1 14 {} {0.511111549279 0.331610636368 0.280033367825} Si9 48 1 14 {} {0.513123563432 0.369332758433 0.492057315314} Si10 49 1 7 {} {0.55371691916 0.386531475079 0.524283387971} N5 50 1 7 {} {0.535998614458 0.253854851922 0.203566578491} N6 51 1 1 {} {0.642678674347 0.66362316227 0.423630585393} H22 52 1 1 {} {0.81487660276 0.76118374641 0.437625920909} H23 53 1 1 {} {0.497811398105 0.596918748261 0.254956115384} H24 54 1 1 {} {0.810186850751 0.846353330298 1.20630875502} H25 55 1 1 {} {1.20881898834 0.264492387943 1.2242690298} H26 56 1 1 {} {0.632729761841 0.444602887907 0.657403494219} H27 57 1 1 {} {0.533933031839 0.831714902492 0.346666616051} H28 58 1 1 {} {0.536588002234 0.793841264309 0.451353627338} H29 59 1 1 {} {0.50233733554 0.764719961383 0.364258315596} H30 60 1 1 {} {0.579351925553 0.761519777899 0.165205858391} H31 61 1 1 {} {0.634765949623 0.850963179178 0.409691514498} H32 62 1 1 {} {0.584457376118 0.418420042753 0.225128119223} H33 63 1 1 {} {0.626551803567 0.394639405235 0.398031933657} H34 64 1 1 {} {0.466875710058 0.298212098196 0.302628849231} H35 65 1 1 {} {0.497914962168 0.377339905543 0.196983254591} H36 66 1 1 {} {0.483285930679 0.426416754343 0.571859289609} H37 67 1 1 {} {0.484890474782 0.29438210223 0.474847280175} H38 68 1 1 {} {0.541115733356 0.434740174822 0.569695498011} H39 69 1 1 {} {0.582679812929 0.36541173439 0.581377821722} H40 70 1 1 {} {0.559996134106 0.279719762324 0.173075626564} H41 71 1 1 {} {0.544099799601 0.222583078857 0.239973871374} 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