#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 {} {0.474924753366 0.237254559912 0.488237634206} O1 1 1 14 {} {0.329887812366 0.225311601286 0.564487092033} Si1 2 1 14 {} {0.596807777067 0.342683609212 0.462836559489} Si2 3 1 8 {} {0.541174684517 0.495164304412 0.485504170233} O2 4 1 8 {} {0.295660641017 0.360906629928 0.649259576995} O3 5 1 14 {} {0.255389163925 0.518867415309 0.663187654426} Si3 6 1 14 {} {0.554233027213 0.651835635301 0.437506861119} Si4 7 1 1 {} {0.33805700675 0.114985194609 0.662750717871} H1 8 1 1 {} {0.225313429747 0.202887387269 0.462158070546} H2 9 1 1 {} {0.645741763709 0.327670590475 0.324683913694} H3 10 1 1 {} {0.701302777894 0.313936048553 0.562190683123} H4 11 1 1 {} {0.13469903196 0.527058191878 0.748351016147} H5 12 1 1 {} {0.368558425131 0.592324700947 0.72857286062} H6 13 1 1 {} {0.456190148473 0.728244430865 0.519718703974} H7 14 1 1 {} {0.517161885441 0.666113749572 0.292343240568} H8 15 1 1 {} {0.690681932432 0.705972814861 0.462150588006} H10 16 1 8 {} {0.220125721229 0.587556733544 0.516312796246} O 17 1 1 {} {0.26417603221 0.673744332169 0.500805985073} 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