#MD System 2.0 @Title neb0_image08 @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 {} {0.298106036133 0.453345559916 0.519154129432} N1 1 1 14 {} {0.366347176959 0.568007636729 0.540295151606} Si1 2 1 14 {} {0.18278644035 0.463818179276 0.495137894655} Si2 3 1 14 {} {0.343064831394 0.317969992397 0.524297095212} Si3 4 1 8 {} {0.438784514699 0.588730388863 0.43653677447} O 5 1 1 {} {0.308254103576 0.667711716069 0.552756486972} H1 6 1 1 {} {0.425949073142 0.549018644769 0.637171671948} H2 7 1 1 {} {0.158629414653 0.584341004021 0.492455679354} H3 8 1 1 {} {0.131721072561 0.406536818316 0.58528359212} H4 9 1 1 {} {0.158530573259 0.411163700268 0.386434792446} H5 10 1 1 {} {0.405251896796 0.297527742526 0.429192854674} H6 11 1 1 {} {0.267053386591 0.237988003445 0.516277903804} H7 12 1 1 {} {0.392640533402 0.300345195292 0.630608725455} H8 13 1 1 {} {0.41660751666 0.609416431865 0.364010642165} H10 14 1 7 {} {0.736925959094 0.49887696099 0.551334331037} N3 15 1 14 {} {0.697263280274 0.481148683723 0.414882425938} Si4 16 1 14 {} {0.839992438105 0.560052838057 0.578400117831} Si5 17 1 14 {} {0.672442415611 0.448314735951 0.661619091793} Si6 18 1 7 {} {0.585845544796 0.455698548324 0.418137319626} N4 19 1 1 {} {0.722274836012 0.584377663969 0.351839895722} H11 20 1 1 {} {0.738606814839 0.38184765417 0.36042125463} H12 21 1 1 {} {0.884766574193 0.582776742064 0.469354628274} H13 22 1 1 {} {0.89847127735 0.484529924633 0.645446646525} H14 23 1 1 {} {0.831261050412 0.667553282604 0.640683866878} H15 24 1 1 {} {0.589048819177 0.513829859777 0.680109993833} H16 25 1 1 {} {0.728969023158 0.459171015375 0.764071837221} H17 26 1 1 {} {0.648075976956 0.328473252331 0.646755955273} H18 27 1 1 {} {0.559797648089 0.384680560473 0.385844076003} H19 28 1 1 {} {0.536965725349 0.515715607079 0.427905738953} 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