#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 {} {0.45998916238 0.260141701855 0.493542927828} O1 1 1 14 {} {0.324733328622 0.235499639446 0.582984717733} Si1 2 1 14 {} {0.582445716017 0.350042127997 0.431977458762} Si2 3 1 8 {} {0.528760611389 0.493182090286 0.373415736648} O2 4 1 8 {} {0.308244333807 0.349786690745 0.699984265443} O3 5 1 14 {} {0.262316047762 0.504619200033 0.731344474342} Si3 6 1 14 {} {0.55745082519 0.655516393702 0.36419115544} Si4 7 1 1 {} {0.338145885004 0.102242568263 0.648454613544} H1 8 1 1 {} {0.206381310728 0.239681394484 0.491994489063} H2 9 1 1 {} {0.640106081492 0.272163386654 0.318935730924} H3 10 1 1 {} {0.683970763448 0.374769533189 0.53941687837} H4 11 1 1 {} {0.113755018993 0.51602605798 0.727178137753} H5 12 1 1 {} {0.320208288281 0.537445323015 0.863899288205} H6 13 1 1 {} {0.431265459036 0.724119501353 0.326679192016} H7 14 1 1 {} {0.660255277268 0.680422418107 0.259898876625} H8 15 1 1 {} {0.60757058358 0.707822298159 0.493523439636} H10 16 1 8 {} {0.32473222802 0.608518826188 0.616809165671} O 17 1 1 {} {0.259755278846 0.660518902542 0.566827255049} 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