#MD System 2.0 @Title neb0_image07 @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 6 {} {0.22111679437 0.525943742623 0.335851765755} C1 1 1 14 {} {0.274505586646 0.488519612395 0.294309747329} Si1 2 1 14 {} {0.174760548927 0.534430857026 0.25580191453} Si2 3 1 8 {} {0.28754670526 0.518629953204 0.194841033611} O1 4 1 8 {} {0.311334953849 0.513298108906 0.368396518984} O2 5 1 6 {} {0.27375361397 0.395117195343 0.288921048768} C2 6 1 6 {} {0.143662218983 0.454592409185 0.237955167695} C3 7 1 8 {} {0.199228383423 0.562028654426 0.162190378745} O3 8 1 8 {} {0.139127686251 0.594673253782 0.285029597589} O4 9 1 14 {} {0.362987547008 0.536250145817 0.368867930951} Si3 10 1 7 {} {0.394885988183 0.468530863069 0.403694214521} N1 11 1 14 {} {0.444436852783 0.469226630606 0.344405945848} Si4 12 1 14 {} {0.379708680367 0.418463839418 0.493779872527} Si5 13 1 7 {} {0.352081857187 0.457504437642 0.581077176357} N2 14 1 7 {} {0.447716839771 0.55452146704 0.318987819435} N3 15 1 1 {} {0.210251278865 0.497394176442 0.394901590728} H1 16 1 1 {} {0.230217782286 0.576350511785 0.360024950752} H2 17 1 1 {} {0.262906261574 0.541801831926 0.165009746656} H3 18 1 1 {} {0.268454539442 0.371852973387 0.354579922693} H4 19 1 1 {} {0.305506280146 0.376053703209 0.262214615783} H5 20 1 1 {} {0.24708255475 0.378057981905 0.243818110991} H6 21 1 1 {} {0.117216276549 0.460902146866 0.188086243075} H7 22 1 1 {} {0.128128524382 0.437550055307 0.300367007291} H8 23 1 1 {} {0.165826485951 0.414425960653 0.214883245417} H9 24 1 1 {} {0.180468956174 0.583743238747 0.11871376507} H10 25 1 1 {} {0.111037803006 0.580973666928 0.310604041634} H11 26 1 1 {} {0.378281466078 0.556732896427 0.278999466205} H12 27 1 1 {} {0.367191052907 0.594812765677 0.431626280326} H13 28 1 1 {} {0.479618433314 0.443512436834 0.403757266262} H14 29 1 1 {} {0.448986897916 0.427082425655 0.258225491815} H15 30 1 1 {} {0.348210579216 0.366644567875 0.461701721342} H16 31 1 1 {} {0.420172778822 0.3868910342 0.53415923062} H17 32 1 1 {} {0.320591318299 0.47519738406 0.57128918132} H18 33 1 1 {} {0.367511373381 0.488712460876 0.624859013952} H19 34 1 1 {} {0.479130303441 0.567559572297 0.317550163804} H20 35 1 1 {} {0.429555585986 0.588334051573 0.359819391329} H21 36 1 6 {} {0.65242473652 0.64251856826 0.476492935272} C4 37 1 14 {} {0.610738627784 0.578988837791 0.440763362681} Si6 38 1 14 {} {0.640077628841 0.728391025116 0.430176646753} Si7 39 1 8 {} {0.590717160107 0.589087489509 0.340048884206} O5 40 1 8 {} {0.628763220635 0.502312422439 0.453424398894} O6 41 1 6 {} {0.562968202948 0.58089622646 0.519267102917} C5 42 1 6 {} {0.58962483477 0.775889241133 0.475116386347} C6 43 1 8 {} {0.632823410321 0.717281694815 0.320215639131} O7 44 1 8 {} {0.685203846101 0.777706588959 0.441172842358} O8 45 1 14 {} {0.631553231336 0.422917749102 0.424431164268} Si8 46 1 7 {} {0.584505881372 0.373011434253 0.443030589003} N4 47 1 14 {} {0.56395542208 0.3228468733 0.3531867324} Si9 48 1 14 {} {0.560481690829 0.366958948944 0.550076313801} Si10 49 1 7 {} {0.595615080172 0.385901956797 0.634910789718} N5 50 1 7 {} {0.598734836885 0.259107567412 0.315086570843} N6 51 1 1 {} {0.644486647801 0.64533028377 0.548097611971} H22 52 1 1 {} {0.689253617446 0.635536434037 0.471564824926} H23 53 1 1 {} {0.603405847766 0.623485836475 0.302974746591} H24 54 1 1 {} {0.569495540162 0.594343766581 0.58993340508} H25 55 1 1 {} {0.551881341798 0.529909553378 0.513659632296} H26 56 1 1 {} {0.536928942281 0.614141138568 0.491453153186} H27 57 1 1 {} {0.588139694114 0.82667596307 0.445794217271} H28 58 1 1 {} {0.590896694688 0.782791966949 0.548069777972} H29 59 1 1 {} {0.557062330317 0.752678062271 0.460025113671} H30 60 1 1 {} {0.639262582463 0.753658883173 0.279024932542} H31 61 1 1 {} {0.684836433476 0.807978222274 0.492466140381} H32 62 1 1 {} {0.640807786591 0.416994135956 0.327647183147} H33 63 1 1 {} {0.669997486725 0.399472383061 0.479574080793} H34 64 1 1 {} {0.522685939312 0.28994939122 0.387053028874} H35 65 1 1 {} {0.556183981406 0.36521506832 0.274789534207} H36 66 1 1 {} {0.523025772907 0.417066883978 0.561047553708} H37 67 1 1 {} {0.542432358117 0.298032047143 0.560758586627} H38 68 1 1 {} {0.601046036808 0.435059162729 0.652516924619} H39 69 1 1 {} {0.623266805196 0.357944416963 0.650602183809} H40 70 1 1 {} {0.623277322078 0.270388302569 0.270924719146} H41 71 1 1 {} {0.607916075568 0.220517320191 0.355129671443} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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