#MD System 2.0 @Title neb0_image02 @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 7 {} {0.262351985125 0.479556129641 0.522486409837} N1 1 1 14 {} {0.331323368822 0.594628284203 0.542400173156} Si1 2 1 14 {} {0.147309117216 0.490201631168 0.498359010686} Si2 3 1 14 {} {0.307354947053 0.344604352385 0.527373827784} Si3 4 1 8 {} {0.404086158474 0.61403102858 0.439914656408} O 5 1 1 {} {0.272532360576 0.694075502523 0.556120786888} H1 6 1 1 {} {0.390283206666 0.57537904945 0.640452794559} H2 7 1 1 {} {0.122971396965 0.610739133406 0.495618709254} H3 8 1 1 {} {0.0961700276671 0.432968560572 0.588366680967} H4 9 1 1 {} {0.122851961058 0.437575555756 0.389607768889} H5 10 1 1 {} {0.369644011136 0.323902074101 0.432395645722} H6 11 1 1 {} {0.231443212196 0.264379984154 0.519504893854} H7 12 1 1 {} {0.356996261094 0.326734004795 0.633787853418} H8 13 1 1 {} {0.381000903701 0.635677865023 0.367464075023} H10 14 1 7 {} {0.770070215501 0.474213568725 0.548139730329} N3 15 1 14 {} {0.730848390266 0.457002719594 0.412066121819} Si4 16 1 14 {} {0.873276537794 0.535408928435 0.575625380996} Si5 17 1 14 {} {0.705628849496 0.423578910291 0.658877833298} Si6 18 1 7 {} {0.617810840527 0.431787056739 0.415231229096} N4 19 1 1 {} {0.755516390431 0.559650681504 0.348884765023} H11 20 1 1 {} {0.771668449772 0.357195834701 0.357491556501} H12 21 1 1 {} {0.91805049968 0.55810554924 0.466371453691} H13 22 1 1 {} {0.931569405547 0.459930611856 0.642436969292} H14 23 1 1 {} {0.864506956839 0.642892054296 0.63767077633} H15 24 1 1 {} {0.622308342014 0.48919805541 0.677058610065} H16 25 1 1 {} {0.762230407227 0.434522221478 0.761052910596} H17 26 1 1 {} {0.681384625674 0.30386207785 0.643769886976} H18 27 1 1 {} {0.592878541695 0.360169838431 0.382916812358} H19 28 1 1 {} {0.570366585349 0.490997086719 0.424973255807} H20 29 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} {15 12 12 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{15 0 0} {0 12 0} {0 0 12}} {{0.0666666666667 0 0} {0 0.0833333333333 0} {0 0 0.0833333333333}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 27 18 0 0 2 0 0 0 15 14 0 0 10 3 0 0 6 1 0 0 26 17 0 0 7 2 0 0 8 2 0 0 21 16 0 0 28 18 0 0 9 2 0 0 20 15 0 0 19 15 0 0 1 0 0 0 4 1 0 0 5 1 0 0 25 17 0 0 18 15 0 0 13 4 0 0 3 0 0 0 16 14 0 0 17 14 0 0 12 3 0 0 24 17 0 0 23 16 0 0 11 3 0 0 22 16 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 27 18 {0 0 0} 0 1 0 2 {0 0 0} 0 2 14 15 {0 0 0} 0 3 3 10 {0 0 0} 0 4 1 6 {0 0 0} 0 5 26 17 {0 0 0} 0 6 7 2 {0 0 0} 0 7 8 2 {0 0 0} 0 8 16 21 {0 0 0} 0 9 28 18 {0 0 0} 0 10 9 2 {0 0 0} 0 11 15 20 {0 0 0} 0 12 15 19 {0 0 0} 0 13 0 1 {0 0 0} 0 14 4 1 {0 0 0} 0 15 1 5 {0 0 0} 0 16 17 25 {0 0 0} 0 17 15 18 {0 0 0} 0 18 4 13 {0 0 0} 0 19 3 0 {0 0 0} 0 20 16 14 {0 0 0} 0 21 14 17 {0 0 0} 0 22 3 12 {0 0 0} 0 23 17 24 {0 0 0} 0 24 16 23 {0 0 0} 0 25 11 3 {0 0 0} 0 26 22 16 {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