#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 {} {0.470169683059 0.264101706692 0.489969853755} O1 1 1 14 {} {0.32390995215 0.233058914187 0.557896064839} Si1 2 1 14 {} {0.610853990909 0.345894006644 0.473171466877} Si2 3 1 8 {} {0.596849781884 0.502660183749 0.522651495229} O2 4 1 8 {} {0.253629679223 0.366356542201 0.621694636054} O3 5 1 14 {} {0.234779504434 0.52559151983 0.656049413853} Si3 6 1 14 {} {0.57755786116 0.655445398475 0.459860987437} Si4 7 1 1 {} {0.341210841778 0.135353103593 0.668725971323} H1 8 1 1 {} {0.240586919899 0.179596086896 0.446567396139} H2 9 1 1 {} {0.647396803315 0.343619640643 0.328869542612} H3 10 1 1 {} {0.716128281268 0.283564452431 0.557978497315} H4 11 1 1 {} {0.134676303769 0.538515389115 0.762848716175} H5 12 1 1 {} {0.365564759347 0.583257324567 0.701490763182} H6 13 1 1 {} {0.52969015465 0.751290820989 0.563012921947} H7 14 1 1 {} {0.476286628706 0.650153190695 0.349646294109} H8 15 1 1 {} {0.708086591615 0.705617475153 0.406297153893} H10 16 1 8 {} {0.169212360575 0.601664201453 0.525206838062} O 17 1 1 {} {0.213495955605 0.606778161755 0.439120183849} 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