#MD System 2.0 @Title neb0_image03 @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 {} {0.268263459967 0.47527235667 0.52200380592} N1 1 1 14 {} {0.337203485385 0.59016055368 0.541997758059} Si1 2 1 14 {} {0.153160318566 0.485883944698 0.497807790498} Si2 3 1 14 {} {0.313267116942 0.340206252984 0.526821525915} Si3 4 1 8 {} {0.410234224847 0.609492891693 0.439230542459} O 5 1 1 {} {0.278466667034 0.689640235117 0.555637508213} H1 6 1 1 {} {0.396162064366 0.571007586563 0.639876485999} H2 7 1 1 {} {0.128877176499 0.60638000756 0.495064312051} H3 8 1 1 {} {0.102040123025 0.428608205687 0.587827827495} H4 9 1 1 {} {0.128755477633 0.433203058286 0.389112014694} H5 10 1 1 {} {0.375561024903 0.319499481275 0.431862670894} H6 11 1 1 {} {0.237383367268 0.260009602159 0.51901949495} H7 12 1 1 {} {0.362891194743 0.322373503724 0.633212863319} H8 13 1 1 {} {0.38694788949 0.631287927267 0.367031000635} H10 14 1 7 {} {0.764571604635 0.478332042764 0.548707930833} N3 15 1 14 {} {0.725111691742 0.460994710353 0.412489235321} Si4 16 1 14 {} {0.86776165476 0.539490869731 0.576059777993} Si5 17 1 14 {} {0.700101883603 0.427684312642 0.65933313738} Si6 18 1 7 {} {0.612571503059 0.435772893255 0.415700144501} N4 19 1 1 {} {0.750022208656 0.563752266099 0.349365011524} H11 20 1 1 {} {0.766105020913 0.361304497749 0.35798169708} H12 21 1 1 {} {0.912531249656 0.562196785942 0.466909633437} H13 22 1 1 {} {0.926084019774 0.463993866147 0.642933709434} H14 23 1 1 {} {0.85899041839 0.646962923695 0.638170345889} H15 24 1 1 {} {0.616799782666 0.493274314573 0.67753389153} H16 25 1 1 {} {0.756720690448 0.438611262166 0.761539119723} H17 26 1 1 {} {0.675892997018 0.307950875935 0.644272832565} H18 27 1 1 {} {0.587279390994 0.364291036681 0.38340725172} H19 28 1 1 {} {0.564676244631 0.495330093867 0.425511249726} 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