#MD System 2.0 @Title neb0_image03 @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 8 {} {0.457485244422 0.266573054441 0.486264328931} O1 1 1 14 {} {0.324229989969 0.240766647084 0.578019156016} Si1 2 1 14 {} {0.587046160769 0.349380193054 0.429861719342} Si2 3 1 8 {} {0.540039250793 0.493666235186 0.369302232972} O2 4 1 8 {} {0.303502159842 0.357300152218 0.691523093529} O3 5 1 14 {} {0.252146219272 0.50686456864 0.736381778224} Si3 6 1 14 {} {0.565273265439 0.656470439447 0.365161267024} Si4 7 1 1 {} {0.341727107422 0.11183051891 0.649722169427} H1 8 1 1 {} {0.205477981878 0.238276382847 0.487316061966} H2 9 1 1 {} {0.64614690694 0.269076303455 0.319524942555} H3 10 1 1 {} {0.682746639692 0.371357784506 0.542066328654} H4 11 1 1 {} {0.102876853047 0.501656125544 0.747980438609} H5 12 1 1 {} {0.317534324363 0.541572669813 0.865026513814} H6 13 1 1 {} {0.432787999387 0.720530884405 0.341804768212} H7 14 1 1 {} {0.657232161281 0.689878322292 0.253691824152} H8 15 1 1 {} {0.625656711353 0.704088839869 0.492472789782} H10 16 1 8 {} {0.303199128483 0.624488119206 0.631747891758} O 17 1 1 {} {0.264978027484 0.628740804975 0.543190280693} H14 18 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} {10 10 10 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{10 0 0} {0 10 0} {0 0 10}} {{0.1 0 0} {0 0.1 0} {0 0 0.1}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 1 0 0 0 2 0 0 0 14 6 0 0 16 5 0 2 15 6 0 0 4 1 0 0 3 2 0 0 7 1 0 0 8 1 0 0 6 3 0 0 5 4 0 0 10 2 0 0 9 2 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 0 1 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 6 {0 0 0} 0 3 16 5 {0 0 0} 0 4 15 6 {0 0 0} 0 5 4 1 {0 0 0} 0 6 3 2 {0 0 0} 0 7 7 1 {0 0 0} 0 8 8 1 {0 0 0} 0 9 6 3 {0 0 0} 0 10 5 4 {0 0 0} 0 11 10 2 {0 0 0} 0 12 9 2 {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