#MD System 2.0 @Title neb0_image01 @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 {} {0.256546627664 0.484192045095 0.523134565719} N1 1 1 14 {} {0.325340504941 0.599016013688 0.54290439935} Si1 2 1 14 {} {0.141551795634 0.494753090053 0.498690798105} Si2 3 1 14 {} {0.3014384857 0.349114282855 0.52788107175} Si3 4 1 8 {} {0.398545552 0.618174183318 0.440237329244} O 5 1 1 {} {0.266537568476 0.698281775205 0.556873567694} H1 6 1 1 {} {0.384081712712 0.57984117859 0.640770160138} H2 7 1 1 {} {0.117031703725 0.615160444866 0.496113696714} H3 8 1 1 {} {0.0907033897223 0.437420198133 0.588660675621} H4 9 1 1 {} {0.116806965067 0.442065761389 0.390171989921} H5 10 1 1 {} {0.363675889204 0.328240622945 0.432933822332} H6 11 1 1 {} {0.22555965562 0.268872474504 0.520204454536} H7 12 1 1 {} {0.350966471428 0.331184977749 0.634218560497} H8 13 1 1 {} {0.375002785284 0.640099255283 0.3679894862} H10 14 1 7 {} {0.775477543689 0.470185211849 0.54780832769} N3 15 1 14 {} {0.736262964507 0.452828961219 0.411539596682} Si4 16 1 14 {} {0.878556950169 0.531255831473 0.575175716639} Si5 17 1 14 {} {0.71121026698 0.419452997449 0.658388207296} Si6 18 1 7 {} {0.623608863706 0.427552372027 0.414708524099} N4 19 1 1 {} {0.761126808079 0.555545931751 0.348323454384} H11 20 1 1 {} {0.776980886618 0.353153498499 0.357016360501} H12 21 1 1 {} {0.923616737454 0.553797654384 0.466159972603} H13 22 1 1 {} {0.936539600576 0.455723797032 0.642170196189} H14 23 1 1 {} {0.870071073432 0.638827531091 0.637098888105} H15 24 1 1 {} {0.627925811167 0.485040183578 0.676442860212} H16 25 1 1 {} {0.767870486817 0.430391746718 0.760554270454} H17 26 1 1 {} {0.687070729959 0.299725973884 0.643307216185} H18 27 1 1 {} {0.598171777505 0.356060292451 0.382369963161} H19 28 1 1 {} {0.576154359669 0.487010069712 0.424572448349} 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