#MD System 2.0 @Title neb0_image05 @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 {} {0.469438581262 0.225853066001 0.483498239567} O1 1 1 14 {} {0.332582869018 0.23463252404 0.573830714464} Si1 2 1 14 {} {0.594883537964 0.3233447185 0.438488739759} Si2 3 1 8 {} {0.537143154627 0.475381147493 0.399685547561} O2 4 1 8 {} {0.332511088613 0.376167524668 0.660181898083} O3 5 1 14 {} {0.283091213879 0.527821086463 0.689493843402} Si3 6 1 14 {} {0.505210792795 0.640725918672 0.421220727581} Si4 7 1 1 {} {0.330805496869 0.114122983525 0.662773006754} H1 8 1 1 {} {0.215976155623 0.232390192744 0.481333275242} H2 9 1 1 {} {0.663582276148 0.245338320096 0.328035295722} H3 10 1 1 {} {0.69304695379 0.329629360032 0.552350100637} H4 11 1 1 {} {0.13724643804 0.521526467698 0.701322499884} H5 12 1 1 {} {0.339335016488 0.559637991277 0.820620886959} H6 13 1 1 {} {0.369266408044 0.771758637549 0.424423685888} H7 14 1 1 {} {0.542223653917 0.684466495465 0.284097051381} H8 15 1 1 {} {0.591632316478 0.680197025154 0.533663175751} H10 16 1 8 {} {0.341650528525 0.621974391127 0.571707606442} O 17 1 1 {} {0.330459649917 0.707550106938 0.504331687904} 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