#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 {} {0.280148663808 0.466462795266 0.520856214657} N1 1 1 14 {} {0.348917932927 0.581357452432 0.541209820885} Si1 2 1 14 {} {0.165003221932 0.477111611366 0.496763562303} Si2 3 1 14 {} {0.325171520274 0.331342481849 0.525807478506} Si3 4 1 8 {} {0.42194865292 0.600886359257 0.438223232484} O 5 1 1 {} {0.290344581343 0.680920602073 0.554459282704} H1 6 1 1 {} {0.408077609347 0.56222081368 0.638830910774} H2 7 1 1 {} {0.140747516746 0.59757624295 0.494026666591} H3 8 1 1 {} {0.113844069126 0.419793147047 0.586835045944} H4 9 1 1 {} {0.140645663463 0.424398698195 0.388039147147} H5 10 1 1 {} {0.387406215206 0.310737191565 0.430790151917} H6 11 1 1 {} {0.249214726345 0.251221054127 0.51790556071} H7 12 1 1 {} {0.374767757424 0.313575306116 0.632189853769} H8 13 1 1 {} {0.398777386935 0.622556082493 0.365794964508} H10 14 1 7 {} {0.753554255921 0.48648291074 0.54971392283} N3 15 1 14 {} {0.71407026756 0.469121863645 0.413512849222} Si4 16 1 14 {} {0.856716423246 0.547705293419 0.576952652421} Si5 17 1 14 {} {0.689036040106 0.435934832516 0.660263372998} Si6 18 1 7 {} {0.601427355302 0.444062541214 0.41671063339} N4 19 1 1 {} {0.738941363482 0.571957935615 0.350376469831} H11 20 1 1 {} {0.755155437073 0.369492094655 0.35896286483} H12 21 1 1 {} {0.901441174813 0.570415676128 0.467867072939} H13 22 1 1 {} {0.91510855253 0.472184069759 0.643925716004} H14 23 1 1 {} {0.847923967813 0.655164619685 0.63917956955} H15 24 1 1 {} {0.605710863086 0.501477860773 0.678576806883} H16 25 1 1 {} {0.745635463653 0.446810556228 0.76254429934} H17 26 1 1 {} {0.664782429944 0.316147350961 0.645259947816} H18 27 1 1 {} {0.576348906955 0.372453138039 0.384398746895} H19 28 1 1 {} {0.553565928788 0.503397765256 0.426443749005} 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