#MD System 2.0 @Title neb0_image08 @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 {} {0.298228318401 0.452028638359 0.519392856316} N1 1 1 14 {} {0.365055099823 0.568313599159 0.541295965008} Si1 2 1 14 {} {0.183343506617 0.463169048963 0.494924454815} Si2 3 1 14 {} {0.343804350465 0.31735595268 0.524237094447} Si3 4 1 8 {} {0.435332590367 0.594653374364 0.437265695924} O 5 1 1 {} {0.307538806122 0.668131404649 0.554141790575} H1 6 1 1 {} {0.426669009199 0.548533445685 0.636996489578} H2 7 1 1 {} {0.159450507955 0.583883599133 0.49221093747} H3 8 1 1 {} {0.132406808965 0.406046983471 0.585135699143} H4 9 1 1 {} {0.159310571118 0.410477202498 0.386327759539} H5 10 1 1 {} {0.405815133454 0.296782907907 0.429003963226} H6 11 1 1 {} {0.267822495749 0.237422930692 0.516384229108} H7 12 1 1 {} {0.393471716452 0.299747266459 0.630580145826} H8 13 1 1 {} {0.415187061902 0.610265695143 0.362116425708} H10 14 1 7 {} {0.736538799461 0.499426837931 0.551245405041} N3 15 1 14 {} {0.698546282041 0.480913072308 0.414795186437} Si4 16 1 14 {} {0.839501070718 0.560752632745 0.578561162142} Si5 17 1 14 {} {0.671839589901 0.448756941333 0.661581737285} Si6 18 1 7 {} {0.586898455239 0.453539429207 0.418264768453} N4 19 1 1 {} {0.72177218837 0.584571897187 0.352102012775} H11 20 1 1 {} {0.739702364512 0.381753868924 0.359770082746} H12 21 1 1 {} {0.884060782037 0.583429568517 0.469439274278} H13 22 1 1 {} {0.89779441049 0.485170714907 0.645397569447} H14 23 1 1 {} {0.830643231679 0.668005168819 0.640808167136} H15 24 1 1 {} {0.588641953499 0.51417809438 0.680254515021} H16 25 1 1 {} {0.728163287855 0.459637057379 0.764068083315} H17 26 1 1 {} {0.647391180965 0.329072689973 0.647039209239} H18 27 1 1 {} {0.560448258984 0.38290876943 0.385231541325} H19 28 1 1 {} {0.539056122174 0.514039543528 0.427848329543} 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