#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 {} {0.459957175467 0.259902915337 0.493507228365} O1 1 1 14 {} {0.324781770415 0.23557151392 0.583031667055} Si1 2 1 14 {} {0.582367816838 0.350001586214 0.43200358776} Si2 3 1 8 {} {0.528701310686 0.493082442668 0.373510184107} O2 4 1 8 {} {0.308502211748 0.349728678141 0.69959055922} O3 5 1 14 {} {0.262307029924 0.504718227773 0.731367401125} Si3 6 1 14 {} {0.557118158618 0.655554981443 0.364377170123} Si4 7 1 1 {} {0.338129386477 0.102264948064 0.648486744203} H1 8 1 1 {} {0.206432131605 0.239679490851 0.491917960669} H2 9 1 1 {} {0.640197428919 0.272125702824 0.319001268913} H3 10 1 1 {} {0.684084785804 0.374617284349 0.539444276704} H4 11 1 1 {} {0.113832635355 0.516174341173 0.726932840252} H5 12 1 1 {} {0.320397097596 0.537617882753 0.863737015658} H6 13 1 1 {} {0.431116460067 0.723750385657 0.327163717492} H7 14 1 1 {} {0.659925879899 0.680494077894 0.259980408413} H8 15 1 1 {} {0.607472212853 0.707712986781 0.493681755528} H10 16 1 8 {} {0.324841004711 0.608453085921 0.616391457663} O 17 1 1 {} {0.25992170229 0.661067522101 0.566932559244} 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