#MD System 2.0 @Title neb0_image01 @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 {} {0.20249318631 0.529203902884 0.305654584316} C1 1 1 14 {} {0.256421051743 0.49220361746 0.263846734009} Si1 2 1 14 {} {0.155810684473 0.537669847331 0.224646509837} Si2 3 1 8 {} {0.269038528609 0.525343521812 0.166059142584} O1 4 1 8 {} {0.296442499736 0.512409842964 0.3347592386} O2 5 1 6 {} {0.254479802857 0.399029859703 0.256819478669} C2 6 1 6 {} {0.124270662553 0.457971461246 0.206922055042} C3 7 1 8 {} {0.180321596411 0.563450007879 0.13035947676} O3 8 1 8 {} {0.120482815421 0.598813335216 0.251624571628} O4 9 1 14 {} {0.347910096629 0.541413518157 0.339868529338} Si3 10 1 7 {} {0.382669296245 0.47851560653 0.381532824841} N1 11 1 14 {} {0.437100511043 0.476921518448 0.340705563437} Si4 12 1 14 {} {0.362282868313 0.424285539492 0.464294285638} Si5 13 1 7 {} {0.333136123339 0.462080598456 0.549713858592} N2 14 1 7 {} {0.459073077788 0.55663364846 0.34689722962} N3 15 1 1 {} {0.190896681643 0.500571553445 0.36412049386} H1 16 1 1 {} {0.210355704443 0.580027153873 0.329819316369} H2 17 1 1 {} {0.243507951702 0.545425844794 0.135282292051} H3 18 1 1 {} {0.249324011055 0.37602967218 0.322646350676} H4 19 1 1 {} {0.286195216321 0.379980667184 0.230063095226} H5 20 1 1 {} {0.227704448146 0.381919885346 0.212144914482} H6 21 1 1 {} {0.0977534082996 0.464162512079 0.156865936933} H7 22 1 1 {} {0.108737147169 0.4402245805 0.269110939465} H8 23 1 1 {} {0.146679035586 0.418163491896 0.183306614143} H9 24 1 1 {} {0.16182686128 0.58659914121 0.0871975136504} H10 25 1 1 {} {0.0920913148598 0.586457497019 0.277666416279} H11 26 1 1 {} {0.364291362063 0.561376033031 0.250040963665} H12 27 1 1 {} {0.346769833438 0.600223424386 0.400930662953} H13 28 1 1 {} {0.461083284528 0.424512077477 0.393252815232} H14 29 1 1 {} {0.439190141749 0.459615680937 0.243928874753} H15 30 1 1 {} {0.330790103233 0.375136011113 0.424058868814} H16 31 1 1 {} {0.401736864004 0.390034824858 0.503616994315} H17 32 1 1 {} {0.301517606964 0.478576143971 0.538799111677} H18 33 1 1 {} {0.349126517157 0.492490407921 0.593721157826} H19 34 1 1 {} {0.481922248501 0.571597490834 0.300900405667} H20 35 1 1 {} {0.464925981023 0.578829186989 0.406795721768} H21 36 1 6 {} {0.657677654023 0.63664588756 0.50701338991} C4 37 1 14 {} {0.618185590647 0.57281745646 0.459118451696} Si6 38 1 14 {} {0.655321215782 0.723281007959 0.462137801874} Si7 39 1 8 {} {0.615950784045 0.58106278896 0.349456683943} O5 40 1 8 {} {0.637927776328 0.49806593849 0.483433623227} O6 41 1 6 {} {0.561076930385 0.57892797321 0.508191102814} C5 42 1 6 {} {0.607744982103 0.773752433401 0.506892473013} C6 43 1 8 {} {0.651100509268 0.712508124293 0.351666499632} O7 44 1 8 {} {0.702900503095 0.764688858687 0.47781307025} O8 45 1 14 {} {0.648519638406 0.420198614993 0.45551743968} Si8 46 1 7 {} {0.603164961217 0.368000680179 0.473618576181} N4 47 1 14 {} {0.583598756722 0.318791364785 0.385112158293} Si9 48 1 14 {} {0.578507122327 0.364670381668 0.580067413812} Si10 49 1 7 {} {0.6136914262 0.383429901283 0.667076935178} N5 50 1 7 {} {0.618644768838 0.256100864196 0.347816822663} N6 51 1 1 {} {0.653564213583 0.638183394528 0.580099556224} H22 52 1 1 {} {0.691748340128 0.617884003186 0.49456889299} H23 53 1 1 {} {0.6282218797 0.623444190694 0.327617840336} H24 54 1 1 {} {0.561222928944 0.568988167586 0.5803318755} H25 55 1 1 {} {0.53900077897 0.541994350785 0.476396703442} H26 56 1 1 {} {0.546644495359 0.628881070606 0.497327295587} H27 57 1 1 {} {0.606986047226 0.824177707639 0.477490430009} H28 58 1 1 {} {0.609799439031 0.77926372445 0.579841966962} H29 59 1 1 {} {0.575677943536 0.749584231616 0.49170007177} H30 60 1 1 {} {0.659069584628 0.749933318794 0.313720815278} H31 61 1 1 {} {0.703288889405 0.799699017881 0.522459052651} H32 62 1 1 {} {0.660047175887 0.415114893108 0.358753723105} H33 63 1 1 {} {0.687702617315 0.399779533172 0.510319743209} H34 64 1 1 {} {0.541838063621 0.286791433761 0.417957472228} H35 65 1 1 {} {0.575449260334 0.361635240654 0.305510276255} H36 66 1 1 {} {0.541290728598 0.414049292002 0.586303120152} H37 67 1 1 {} {0.56130579187 0.295224219795 0.591797200202} H38 68 1 1 {} {0.62028384715 0.432035619498 0.681977823449} H39 69 1 1 {} {0.640728826941 0.354347121676 0.680171376659} H40 70 1 1 {} {0.643252408968 0.267152345547 0.303528892474} H41 71 1 1 {} {0.628183452727 0.218298698528 0.389028011608} 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