#MD System 2.0 @Title neb0_image02 @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 {} {0.262342752215 0.479582262331 0.522563002793} N1 1 1 14 {} {0.331369357099 0.594651173328 0.542228185385} Si1 2 1 14 {} {0.14734523387 0.490221715537 0.498357340475} Si2 3 1 14 {} {0.307327654689 0.344667521524 0.527358346545} Si3 4 1 8 {} {0.404158874127 0.613972810022 0.43983263757} O 5 1 1 {} {0.272500245341 0.694033786789 0.556208277341} H1 6 1 1 {} {0.390221379983 0.57538472072 0.640428683589} H2 7 1 1 {} {0.122958192944 0.610733924146 0.495600308643} H3 8 1 1 {} {0.096222184284 0.433002194147 0.588296226678} H4 9 1 1 {} {0.122820026754 0.437590300627 0.38962415878} H5 10 1 1 {} {0.369632003586 0.323883558157 0.432408449248} H6 11 1 1 {} {0.231461044165 0.264400935678 0.519552298705} H7 12 1 1 {} {0.356966979696 0.326738280123 0.633758433636} H8 13 1 1 {} {0.381010221624 0.635635533304 0.367614781832} H10 14 1 7 {} {0.770058806504 0.47422912849 0.548136211949} N3 15 1 14 {} {0.730811158857 0.457046801746 0.412106000693} Si4 16 1 14 {} {0.87325820431 0.535398948627 0.575672543484} Si5 17 1 14 {} {0.705622902232 0.423546996755 0.658905623493} Si6 18 1 7 {} {0.618009630302 0.43164187014 0.415190925475} N4 19 1 1 {} {0.755535400964 0.559623503334 0.348875564833} H11 20 1 1 {} {0.771603657946 0.357215363534 0.357494131504} H12 21 1 1 {} {0.918067781858 0.558081365249 0.466393472821} H13 22 1 1 {} {0.931479178731 0.459938481238 0.642419390198} H14 23 1 1 {} {0.864513618334 0.642872935026 0.637648229249} H15 24 1 1 {} {0.622336726207 0.489181435411 0.677018525137} H16 25 1 1 {} {0.762240158627 0.434506471508 0.761025555137} H17 26 1 1 {} {0.6814232361 0.303869270894 0.643777944072} H18 27 1 1 {} {0.592801599547 0.3601862302 0.382918018178} H19 28 1 1 {} {0.570335743495 0.491130838122 0.425007306959} 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