#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 {} {0.268265070964 0.475194006484 0.521947223011} N1 1 1 14 {} {0.337218886541 0.590192050083 0.54199152761} Si1 2 1 14 {} {0.153163184411 0.485847405641 0.497823152379} Si2 3 1 14 {} {0.313284290834 0.34017504878 0.526826600553} Si3 4 1 8 {} {0.410077671172 0.609595300529 0.439354019397} O 5 1 1 {} {0.278470071149 0.689697303991 0.555574388617} H1 6 1 1 {} {0.396220036761 0.570996730491 0.63991992865} H2 7 1 1 {} {0.128894595959 0.60636149368 0.495087642266} H3 8 1 1 {} {0.102034589181 0.428577008599 0.587870829049} H4 9 1 1 {} {0.128783833571 0.433186086032 0.389088371295} H5 10 1 1 {} {0.37557112929 0.319515674486 0.431859931801} H6 11 1 1 {} {0.237369720645 0.259993597407 0.518973490782} H7 12 1 1 {} {0.362922271649 0.322357629508 0.633255978782} H8 13 1 1 {} {0.386931290262 0.631308392032 0.366923913881} H10 14 1 7 {} {0.764568404702 0.478316196149 0.548661920637} N3 15 1 14 {} {0.725233700539 0.461028558629 0.412487514694} Si4 16 1 14 {} {0.86778106584 0.539495723929 0.576075922444} Si5 17 1 14 {} {0.700095276893 0.427683457954 0.659356297315} Si6 18 1 7 {} {0.612309713958 0.435900866557 0.415731279478} N4 19 1 1 {} {0.749994860349 0.563757429687 0.349382276083} H11 20 1 1 {} {0.766160732616 0.36128795963 0.357982845036} H12 21 1 1 {} {0.912516180362 0.562214118466 0.466873280426} H13 22 1 1 {} {0.9261151248 0.464012153014 0.642934341312} H14 23 1 1 {} {0.858980844217 0.646981524159 0.638176987109} H15 24 1 1 {} {0.616777329067 0.493291684648 0.677564123712} H16 25 1 1 {} {0.756703481493 0.438623436084 0.761552116082} H17 26 1 1 {} {0.675855355237 0.307960457307 0.644263542259} H18 27 1 1 {} {0.587362493536 0.364279580278 0.383412372714} H19 28 1 1 {} {0.564772745436 0.495137478753 0.425468757284} 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