#MD System 2.0 @Title neb0_image09 @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 {} {0.303873301956 0.448925881834 0.518662730924} N1 1 1 14 {} {0.372530871736 0.563803766423 0.539275754964} Si1 2 1 14 {} {0.188688766804 0.459471541328 0.494629314775} Si2 3 1 14 {} {0.348873961115 0.31373687995 0.523729906553} Si3 4 1 8 {} {0.445529284291 0.583459402763 0.43607841579} O 5 1 1 {} {0.314054684386 0.66339562178 0.552274681507} H1 6 1 1 {} {0.431801208586 0.544669800864 0.636739415471} H2 7 1 1 {} {0.16444405521 0.580036769452 0.491952415396} H3 8 1 1 {} {0.137534290097 0.402197329518 0.584797086756} H4 9 1 1 {} {0.164351175494 0.406849964525 0.385900308254} H5 10 1 1 {} {0.411109452218 0.293223730819 0.428683824146} H6 11 1 1 {} {0.272865542804 0.233637985014 0.515742036194} H7 12 1 1 {} {0.398485194553 0.296021760457 0.630124595083} H8 13 1 1 {} {0.422471593606 0.60501574741 0.363582799198} H10 14 1 7 {} {0.731442862675 0.502865499314 0.551729998508} N3 15 1 14 {} {0.691915979195 0.485451894853 0.415410749958} Si4 16 1 14 {} {0.834593525012 0.564100648299 0.578913855094} Si5 17 1 14 {} {0.66693569997 0.452327103567 0.66222010471} Si6 18 1 7 {} {0.579441508636 0.460356646501 0.418689291709} N4 19 1 1 {} {0.716819652075 0.588411216798 0.352312913191} H11 20 1 1 {} {0.733076045866 0.385841261499 0.360936561197} H12 21 1 1 {} {0.87932645987 0.586796079166 0.469820619212} H13 22 1 1 {} {0.893028679886 0.488545556292 0.645942884675} H14 23 1 1 {} {0.825805988903 0.671600192952 0.641164858155} H15 24 1 1 {} {0.583582498784 0.517882305081 0.680569154879} H16 25 1 1 {} {0.723545919866 0.463210924528 0.764557602852} H17 26 1 1 {} {0.642639669648 0.332489768765 0.647203142498} H18 27 1 1 {} {0.554272825232 0.388797861608 0.386346565094} H19 28 1 1 {} {0.531393251966 0.519845206532 0.428428983674} 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