#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 {} {0.471522686711 0.257524662304 0.491418837478} O1 1 1 14 {} {0.325367616047 0.229126179797 0.559294223666} Si1 2 1 14 {} {0.608310488419 0.346359472227 0.470997742371} Si2 3 1 8 {} {0.580272428515 0.503941525622 0.514452855244} O2 4 1 8 {} {0.266210239364 0.365121248247 0.625800394289} O3 5 1 14 {} {0.235575902901 0.524185755427 0.659008754835} Si3 6 1 14 {} {0.573258034562 0.657714904821 0.453441744972} Si4 7 1 1 {} {0.338566340186 0.125326850264 0.666046993975} H1 8 1 1 {} {0.234033836107 0.182134298253 0.450743146982} H2 9 1 1 {} {0.648525240464 0.33702702935 0.327119187832} H3 10 1 1 {} {0.714681828573 0.289576980308 0.558430883312} H4 11 1 1 {} {0.137076306554 0.530060940358 0.769739960692} H5 12 1 1 {} {0.363846228847 0.590878147102 0.693712215544} H6 13 1 1 {} {0.511076672012 0.749361821758 0.552291276631} H7 14 1 1 {} {0.486183498221 0.651908904046 0.330722593069} H8 15 1 1 {} {0.711500801211 0.707881529971 0.421572997059} H10 16 1 8 {} {0.170416657587 0.605067400488 0.529687728882} O 17 1 1 {} {0.233661224673 0.619320427415 0.456576657454} 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