#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 {} {0.467892899918 0.262376887269 0.491523873145} O1 1 1 14 {} {0.326513446657 0.230148329839 0.566834357816} Si1 2 1 14 {} {0.59988443843 0.348117138576 0.448128570378} Si2 3 1 8 {} {0.561242981822 0.505033542103 0.428853813843} O2 4 1 8 {} {0.281653858972 0.349456174338 0.670846744095} O3 5 1 14 {} {0.237986296834 0.504231613405 0.699350295437} Si3 6 1 14 {} {0.584420812901 0.664962578209 0.401640113691} Si4 7 1 1 {} {0.344046501015 0.106653191641 0.64856098053} H1 8 1 1 {} {0.219554587642 0.214222031206 0.464600730341} H2 9 1 1 {} {0.648542219014 0.292647579404 0.319920063605} H3 10 1 1 {} {0.7011166665 0.336425091451 0.555558218146} H4 11 1 1 {} {0.106434432368 0.504625482984 0.770537005602} H5 12 1 1 {} {0.342754736843 0.565774948717 0.785771967104} H6 13 1 1 {} {0.461834568706 0.740762914894 0.441247890579} H7 14 1 1 {} {0.611793051529 0.687586924725 0.257070326558} H8 15 1 1 {} {0.700088289287 0.714900235643 0.481431120453} H10 16 1 8 {} {0.22839593274 0.578620684449 0.551910320711} O 17 1 1 {} {0.185930220446 0.665972436535 0.547271899453} 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