#MD System 2.0 @Title neb0_image04 @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 {} {0.466363643951 0.252040066088 0.488142346092} O1 1 1 14 {} {0.326237377736 0.229846790375 0.570468428206} Si1 2 1 14 {} {0.59236771595 0.346328372031 0.44272510067} Si2 3 1 8 {} {0.541898508457 0.498864374298 0.414397584556} O2 4 1 8 {} {0.295204261726 0.35075461254 0.677196342689} O3 5 1 14 {} {0.255368679289 0.507227552557 0.705496201663} Si3 6 1 14 {} {0.560495229105 0.66123093398 0.39851609637} Si4 7 1 1 {} {0.339253355565 0.105696710173 0.651579920485} H1 8 1 1 {} {0.215064863312 0.219234572717 0.471337266384} H2 9 1 1 {} {0.648070974536 0.29124130444 0.316520592165} H3 10 1 1 {} {0.691639487162 0.34464757028 0.553500858903} H4 11 1 1 {} {0.11113680458 0.517354986495 0.741907759803} H5 12 1 1 {} {0.340850060152 0.555252563669 0.817536973243} H6 13 1 1 {} {0.431276309846 0.73282265112 0.419048857003} H7 14 1 1 {} {0.60893427234 0.691478239518 0.260864299725} H8 15 1 1 {} {0.657839696604 0.711591273985 0.500046259387} H10 16 1 8 {} {0.288933656901 0.590184695582 0.56685021499} O 17 1 1 {} {0.239151143421 0.666720587226 0.534922980099} 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