#MD System 2.0 @Title neb0_image03 @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 {} {0.268238874433 0.475218545577 0.522017145451} N1 1 1 14 {} {0.337276423872 0.590194145206 0.541850829131} Si1 2 1 14 {} {0.153164359844 0.485880991116 0.497825928895} Si2 3 1 14 {} {0.313255829628 0.340227927802 0.526800143715} Si3 4 1 8 {} {0.4101759728 0.609498376 0.439280001605} O 5 1 1 {} {0.27844900086 0.689662511492 0.555651466178} H1 6 1 1 {} {0.396173464259 0.571003633137 0.639903390887} H2 7 1 1 {} {0.12887970755 0.606369981685 0.495066731386} H3 8 1 1 {} {0.102047779071 0.428611485112 0.587818398288} H4 9 1 1 {} {0.128757248856 0.433198665922 0.389108077023} H5 10 1 1 {} {0.375563908465 0.319496864768 0.431865138625} H6 11 1 1 {} {0.237388717743 0.260012399258 0.519018048586} H7 12 1 1 {} {0.362895744853 0.322369274259 0.633223207032} H8 13 1 1 {} {0.386946962108 0.631276425579 0.367074911255} H10 14 1 7 {} {0.76456243019 0.478330332855 0.548650434756} N3 15 1 14 {} {0.725180865687 0.461053404721 0.412501612018} Si4 16 1 14 {} {0.867780079318 0.539482182192 0.576107737354} Si5 17 1 14 {} {0.700093815716 0.427659199918 0.659374926235} Si6 18 1 7 {} {0.612453835642 0.435790990043 0.415697817512} N4 19 1 1 {} {0.750014570394 0.563729077535 0.349379585369} H11 20 1 1 {} {0.766108043129 0.361300151644 0.357982016553} H12 21 1 1 {} {0.912532664737 0.562201097148 0.466893452541} H13 22 1 1 {} {0.926074642344 0.46401570021 0.642915144154} H14 23 1 1 {} {0.858990141273 0.646954429659 0.638161825687} H15 24 1 1 {} {0.616801332978 0.493274866856 0.677532829077} H16 25 1 1 {} {0.756711117092 0.438611158321 0.761528509867} H17 26 1 1 {} {0.675892035781 0.30796993758 0.644272854525} H18 27 1 1 {} {0.587295264171 0.364309629907 0.383419341908} H19 28 1 1 {} {0.564729119021 0.495264971969 0.425499067703} 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