#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 {} {0.268255909384 0.475419111537 0.521976092784} N1 1 1 14 {} {0.337240796518 0.590101375648 0.542178536458} Si1 2 1 14 {} {0.153133165178 0.486043807727 0.497728269133} Si2 3 1 14 {} {0.3132388807 0.34026903757 0.526846201434} Si3 4 1 8 {} {0.410523424919 0.609065039327 0.43919931644} O 5 1 1 {} {0.278556134918 0.689460413227 0.55568579911} H1 6 1 1 {} {0.396076522555 0.571007412406 0.639844890983} H2 7 1 1 {} {0.128805283305 0.606542068538 0.494963725502} H3 8 1 1 {} {0.102006870896 0.428688027479 0.587774406737} H4 9 1 1 {} {0.128675572733 0.433267723862 0.389137984438} H5 10 1 1 {} {0.375484389576 0.319492464458 0.431860768839} H6 11 1 1 {} {0.237348759489 0.260046788117 0.519159915089} H7 12 1 1 {} {0.362830865312 0.322449809816 0.633143131371} H8 13 1 1 {} {0.387067509745 0.631278378372 0.367071239915} H10 14 1 7 {} {0.764539968817 0.478373335349 0.548721159755} N3 15 1 14 {} {0.72506447124 0.460905804838 0.412477368521} Si4 16 1 14 {} {0.867714066952 0.539490645661 0.575968339139} Si5 17 1 14 {} {0.70016292621 0.427697053811 0.659267277608} Si6 18 1 7 {} {0.612494867451 0.435861320308 0.415674775491} N4 19 1 1 {} {0.750107489805 0.563742692107 0.349315696822} H11 20 1 1 {} {0.765963689191 0.361270190689 0.357945875346} H12 21 1 1 {} {0.912597934931 0.562131046046 0.466997323326} H13 22 1 1 {} {0.926006593725 0.463853387268 0.642995926274} H14 23 1 1 {} {0.859018044028 0.646965441055 0.638189175476} H15 24 1 1 {} {0.616818161837 0.493231685598 0.677445062407} H16 25 1 1 {} {0.756798977588 0.438577155767 0.761533741615} H17 26 1 1 {} {0.676019353752 0.307836225439 0.644291322223} H18 27 1 1 {} {0.58708791346 0.364416102574 0.383422053558} H19 28 1 1 {} {0.56479540667 0.495484833022 0.425605184973} 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