#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 {} {0.457722108653 0.261856487252 0.482122303494} O1 1 1 14 {} {0.324285780104 0.241003393635 0.57520726797} Si1 2 1 14 {} {0.589687612326 0.345090903009 0.431919741912} Si2 3 1 8 {} {0.544855224119 0.49152866944 0.372719158009} O2 4 1 8 {} {0.305339459703 0.363368496109 0.681778487042} O3 5 1 14 {} {0.250742550237 0.509988866413 0.7321234982} Si3 6 1 14 {} {0.563887535445 0.655630992035 0.372100506106} Si4 7 1 1 {} {0.341621600204 0.114896868221 0.651345631187} H1 8 1 1 {} {0.207973473553 0.235874643939 0.48336679231} H2 9 1 1 {} {0.651840304467 0.268556134807 0.320459177072} H3 10 1 1 {} {0.684460207704 0.363380048029 0.545906473493} H4 11 1 1 {} {0.103921521849 0.499758461056 0.75092715948} H5 12 1 1 {} {0.319686032164 0.547554200684 0.857170338671} H6 13 1 1 {} {0.428620059844 0.716958779839 0.363584482594} H7 14 1 1 {} {0.643735715618 0.695983161819 0.250425782692} H8 15 1 1 {} {0.63336979769 0.700252104725 0.497605765924} H10 16 1 8 {} {0.293533298371 0.630395222388 0.627446605885} O 17 1 1 {} {0.264803791983 0.630440561603 0.534848411956} 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