#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 {} {0.462144893944 0.259911870766 0.479972764718} O1 1 1 14 {} {0.327326193582 0.248954909146 0.57228376526} Si1 2 1 14 {} {0.595157996804 0.339139839921 0.426365060535} Si2 3 1 8 {} {0.554346363493 0.478194209016 0.349554506675} O2 4 1 8 {} {0.321704357724 0.368618795633 0.684515889031} O3 5 1 14 {} {0.254036894749 0.511134718207 0.73264553724} Si3 6 1 14 {} {0.540513261612 0.642017174724 0.358561133184} Si4 7 1 1 {} {0.332532824484 0.119004519388 0.643868345608} H1 8 1 1 {} {0.208177006718 0.257557225922 0.483536341307} H2 9 1 1 {} {0.661942693359 0.251408144736 0.327079273024} H3 10 1 1 {} {0.68289545871 0.372013126999 0.542395087996} H4 11 1 1 {} {0.107252447557 0.494157271842 0.745821847587} H5 12 1 1 {} {0.320416621877 0.547430100815 0.860918623465} H6 13 1 1 {} {0.408004192614 0.682556423828 0.304221063122} H7 14 1 1 {} {0.650645565557 0.705504273406 0.281042749107} H8 15 1 1 {} {0.55180198127 0.687616956037 0.501124412249} H10 16 1 8 {} {0.272518046428 0.631203361192 0.620727261865} O 17 1 1 {} {0.358669102634 0.676094759726 0.616424235247} 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