#MD System 2.0 @Title neb0_image05 @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 7 {} {0.280140824659 0.466530085701 0.520919481525} N1 1 1 14 {} {0.348925715243 0.581329886809 0.541220303578} Si1 2 1 14 {} {0.164999954931 0.477151184477 0.496749655333} Si2 3 1 14 {} {0.325163638811 0.331377840563 0.525793248062} Si3 4 1 8 {} {0.422106024666 0.600738248641 0.438189643434} O 5 1 1 {} {0.290349220293 0.680857280321 0.554514215533} H1 6 1 1 {} {0.408025534195 0.562224815986 0.638782938092} H2 7 1 1 {} {0.140725552322 0.59763518081 0.493974821284} H3 8 1 1 {} {0.113820203753 0.419853190438 0.586768984101} H4 9 1 1 {} {0.140626858788 0.424417563663 0.388092196174} H5 10 1 1 {} {0.387382480806 0.310700945119 0.430771337659} H6 11 1 1 {} {0.249239602107 0.251249332452 0.517970695261} H7 12 1 1 {} {0.37473728348 0.313586772997 0.632137107061} H8 13 1 1 {} {0.398791756133 0.62255404064 0.365881101936} H10 14 1 7 {} {0.753566256388 0.486478138849 0.549767271825} N3 15 1 14 {} {0.714012658454 0.46908532933 0.413532804909} Si4 16 1 14 {} {0.856707140175 0.547691267585 0.576916372627} Si5 17 1 14 {} {0.689051773427 0.435949072122 0.660227327625} Si6 18 1 7 {} {0.601517336567 0.444063317066 0.416693193164} N4 19 1 1 {} {0.738971595286 0.57191070522 0.350396253123} H11 20 1 1 {} {0.75511291994 0.369534990268 0.358963397762} H12 21 1 1 {} {0.901456286628 0.570415267902 0.467878459334} H13 22 1 1 {} {0.915096948041 0.472167036357 0.643890485292} H14 23 1 1 {} {0.847935602971 0.655115854661 0.639176350365} H15 24 1 1 {} {0.605719743031 0.501458689978 0.678548243901} H16 25 1 1 {} {0.745630499811 0.446788069401 0.762514875761} H17 26 1 1 {} {0.664822262171 0.316151430513 0.645286703962} H18 27 1 1 {} {0.576291960427 0.37246939815 0.3844121891} H19 28 1 1 {} {0.55350631232 0.503483419239 0.426450908675} H20 29 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} {15 12 12 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15 0 0} {0 12 0} {0 0 12}} {{0.0666666666667 0 0} {0 0.0833333333333 0} {0 0 0.0833333333333}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 27 18 0 0 2 0 0 0 15 14 0 0 10 3 0 0 6 1 0 0 26 17 0 0 7 2 0 0 8 2 0 0 21 16 0 0 28 18 0 0 9 2 0 0 20 15 0 0 19 15 0 0 1 0 0 0 4 1 0 0 5 1 0 0 25 17 0 0 18 15 0 0 13 4 0 0 3 0 0 0 16 14 0 0 17 14 0 0 12 3 0 0 24 17 0 0 23 16 0 0 11 3 0 0 22 16 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 27 18 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 15 {0 0 0} 0 3 3 10 {0 0 0} 0 4 1 6 {0 0 0} 0 5 26 17 {0 0 0} 0 6 7 2 {0 0 0} 0 7 8 2 {0 0 0} 0 8 16 21 {0 0 0} 0 9 28 18 {0 0 0} 0 10 9 2 {0 0 0} 0 11 15 20 {0 0 0} 0 12 15 19 {0 0 0} 0 13 0 1 {0 0 0} 0 14 4 1 {0 0 0} 0 15 1 5 {0 0 0} 0 16 17 25 {0 0 0} 0 17 15 18 {0 0 0} 0 18 4 13 {0 0 0} 0 19 3 0 {0 0 0} 0 20 16 14 {0 0 0} 0 21 14 17 {0 0 0} 0 22 3 12 {0 0 0} 0 23 17 24 {0 0 0} 0 24 16 23 {0 0 0} 0 25 11 3 {0 0 0} 0 26 22 16 {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