#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 {} {0.456237124522 0.268127415704 0.490017023787} O1 1 1 14 {} {0.323682569649 0.238616481755 0.582269835172} Si1 2 1 14 {} {0.582610177533 0.351714542679 0.42955529679} Si2 3 1 8 {} {0.533948314738 0.495245306718 0.367911124677} O2 4 1 8 {} {0.30407707775 0.350900882661 0.700270207102} O3 5 1 14 {} {0.255672955343 0.503666446123 0.739444797488} Si3 6 1 14 {} {0.565505441574 0.656817961871 0.361013104704} Si4 7 1 1 {} {0.341111430404 0.106465066522 0.649240479104} H1 8 1 1 {} {0.206283816197 0.239889304653 0.489759256713} H2 9 1 1 {} {0.641629800751 0.270212182796 0.32107625283} H3 10 1 1 {} {0.682624408498 0.376590484595 0.536704609361} H4 11 1 1 {} {0.106938991531 0.509178059841 0.738626816288} H5 12 1 1 {} {0.316273655616 0.536011220459 0.870235211406} H6 13 1 1 {} {0.437844778781 0.724297825827 0.325728464104} H7 14 1 1 {} {0.666369484605 0.684139189216 0.254863284271} H8 15 1 1 {} {0.616345953357 0.708718116294 0.490469387423} H10 16 1 8 {} {0.314507223191 0.619084880183 0.632900894306} O 17 1 1 {} {0.258422992572 0.632842694655 0.550971622033} 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