#MD System 2.0 @Title neb0_image04 @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 {} {0.274229073507 0.47112503284 0.521471424877} N1 1 1 14 {} {0.343101642674 0.585820830311 0.541744685491} Si1 2 1 14 {} {0.159081517511 0.481583919972 0.497206633833} Si2 3 1 14 {} {0.319224213275 0.335925253853 0.526311317798} Si3 4 1 8 {} {0.416500302411 0.604679602082 0.438675726452} O 5 1 1 {} {0.284417627189 0.685176508673 0.555109034825} H1 6 1 1 {} {0.401962915091 0.566648747143 0.639267216043} H2 7 1 1 {} {0.134751358811 0.602067412671 0.494426406643} H3 8 1 1 {} {0.107873302229 0.424322028284 0.587226530501} H4 9 1 1 {} {0.134649819212 0.428809841996 0.388637260477} H5 10 1 1 {} {0.381414669868 0.315109888103 0.431298777253} H6 11 1 1 {} {0.243318980752 0.255750479158 0.518616816696} H7 12 1 1 {} {0.368749003925 0.318028891289 0.632604796057} H8 13 1 1 {} {0.39297636083 0.626859458712 0.36654727586} H10 14 1 7 {} {0.759050254381 0.482411071522 0.549282258839} N3 15 1 14 {} {0.719495915324 0.464962341854 0.41300696528} Si4 16 1 14 {} {0.862202870479 0.543562800202 0.576391844732} Si5 17 1 14 {} {0.694641929512 0.431803775339 0.659738842694} Si6 18 1 7 {} {0.606895853784 0.439984322732 0.416153055559} N4 19 1 1 {} {0.744566442052 0.567785954433 0.349859969725} H11 20 1 1 {} {0.760479300121 0.365419229714 0.3584692382} H12 21 1 1 {} {0.907044842994 0.566276288442 0.467416895343} H13 22 1 1 {} {0.920585419464 0.46796670226 0.643390837328} H14 23 1 1 {} {0.853482099774 0.650994864495 0.638713402548} H15 24 1 1 {} {0.611289466305 0.497310705655 0.677985274461} H16 25 1 1 {} {0.751241924087 0.442634067863 0.762045962482} H17 26 1 1 {} {0.670453142956 0.311938519625 0.644813704149} H18 27 1 1 {} {0.5816377473 0.368492551552 0.383969883684} H19 28 1 1 {} {0.559115968207 0.499517262974 0.426038525181} 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