#MD System 2.0 @Title neb0_image01 @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 {} {0.466598849149 0.247966173582 0.475552030655} O1 1 1 14 {} {0.327563497445 0.250245063579 0.563104751241} Si1 2 1 14 {} {0.598439186934 0.333768777556 0.428483313665} Si2 3 1 8 {} {0.554640257056 0.476157489973 0.359466473919} O2 4 1 8 {} {0.328463104721 0.378821966859 0.665242790808} O3 5 1 14 {} {0.259386854029 0.514552447479 0.728369473648} Si3 6 1 14 {} {0.534491453597 0.639117401625 0.368105887029} Si4 7 1 1 {} {0.322844663574 0.125208704031 0.643696082399} H1 8 1 1 {} {0.211779007902 0.259923183767 0.469649476941} H2 9 1 1 {} {0.669219148983 0.252884744193 0.325752934139} H3 10 1 1 {} {0.683392784087 0.362397266159 0.547662798545} H4 11 1 1 {} {0.113634669095 0.492126039382 0.749517023156} H5 12 1 1 {} {0.333426303404 0.540886160377 0.854947061991} H6 13 1 1 {} {0.393977463979 0.672728221585 0.332117388752} H7 14 1 1 {} {0.629510986427 0.705976621911 0.274600017391} H8 15 1 1 {} {0.562054615201 0.688297185225 0.507591546762} H10 16 1 8 {} {0.267751520647 0.643582817583 0.626097102291} O 17 1 1 {} {0.352911675491 0.687877674996 0.611101805479} 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 12 5 0 0 1 0 0 0 2 0 0 0 16 5 0 0 4 1 0 0 3 2 0 0 17 16 0 0 11 5 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 12 5 {0 0 0} 0 1 0 1 {0 0 0} 0 2 0 2 {0 0 0} 0 3 16 5 {0 0 0} 0 4 4 1 {0 0 0} 0 5 3 2 {0 0 0} 0 6 16 17 {0 0 0} 0 7 5 11 {0 0 0} 0 8 7 1 {0 0 0} 0 9 8 1 {0 0 0} 0 10 6 3 {0 0 0} 0 11 5 4 {0 0 0} 0 12 10 2 {0 0 0} 0 13 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