#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 7 {} {0.262408732069 0.479772373362 0.522614217698} N1 1 1 14 {} {0.331249320911 0.594608650029 0.542445474354} Si1 2 1 14 {} {0.147352306711 0.490291127321 0.498266826096} Si2 3 1 14 {} {0.307339978375 0.3446589734 0.527387882885} Si3 4 1 8 {} {0.40449030186 0.613812085277 0.439756861795} O 5 1 1 {} {0.272492525551 0.693917491717 0.556291783948} H1 6 1 1 {} {0.390083684364 0.575412409173 0.640290557574} H2 7 1 1 {} {0.122939058843 0.610742014668 0.495563277982} H3 8 1 1 {} {0.0962862153073 0.433024292956 0.58823672181} H4 9 1 1 {} {0.122773777792 0.437627381377 0.389659553169} H5 10 1 1 {} {0.369599202414 0.323867654933 0.432425880001} H6 11 1 1 {} {0.231470853173 0.264437463349 0.519634517782} H7 12 1 1 {} {0.3569136585 0.326757001128 0.633699514558} H8 13 1 1 {} {0.380970151644 0.635666736384 0.367491363241} H10 14 1 7 {} {0.770056260166 0.474272375549 0.548323174369} N3 15 1 14 {} {0.73072971275 0.456921811673 0.412061138569} Si4 16 1 14 {} {0.873178996109 0.535422919994 0.575562423229} Si5 17 1 14 {} {0.705648486744 0.423563379373 0.658831062715} Si6 18 1 7 {} {0.61810096747 0.431729110906 0.415198462183} N4 19 1 1 {} {0.755586521546 0.559654842202 0.348829393587} H11 20 1 1 {} {0.771504207291 0.357268693302 0.357506031505} H12 21 1 1 {} {0.918080795095 0.558020527888 0.466500704013} H13 22 1 1 {} {0.931364212137 0.459858395258 0.642480748007} H14 23 1 1 {} {0.86451859456 0.642893371691 0.63764838972} H15 24 1 1 {} {0.622364408985 0.48915930442 0.676959817897} H16 25 1 1 {} {0.762286684845 0.434481126771 0.7610224151} H17 26 1 1 {} {0.681486234169 0.303810580089 0.643791377088} H18 27 1 1 {} {0.592682546699 0.360168802614 0.382892139267} H19 28 1 1 {} {0.570475560156 0.491147470046 0.425048859853} 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