#MD System 2.0 @Title neb0_image05 @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 {} {0.213875672053 0.527206063275 0.323271222379} C1 1 1 14 {} {0.267683123517 0.489755587468 0.282004235798} Si1 2 1 14 {} {0.167209857562 0.5354465297 0.242619409409} Si2 3 1 8 {} {0.280102477808 0.521304787053 0.182850528314} O1 4 1 8 {} {0.306905839509 0.511155469901 0.353251782876} O2 5 1 6 {} {0.265648638882 0.396504020772 0.275542291446} C2 6 1 6 {} {0.135653202716 0.455675037246 0.225032246285} C3 7 1 8 {} {0.191369802546 0.5618942429 0.148616966352} O3 8 1 8 {} {0.1317949739 0.595802174397 0.271139830553} O4 9 1 14 {} {0.358768590047 0.539656610579 0.358272340022} Si3 10 1 7 {} {0.392514543191 0.475187974567 0.398507472697} N1 11 1 14 {} {0.444991564311 0.473363433325 0.350065843328} Si4 12 1 14 {} {0.373128869235 0.421723354287 0.483129313691} Si5 13 1 7 {} {0.343953621755 0.459653677495 0.56861146895} N2 14 1 7 {} {0.459333388407 0.558656921733 0.343797338863} N3 15 1 1 {} {0.202290899456 0.498752487385 0.38188008331} H1 16 1 1 {} {0.221937780337 0.578020634746 0.347171953193} H2 17 1 1 {} {0.255169671343 0.543120768319 0.15295934021} H3 18 1 1 {} {0.260336024207 0.373208569792 0.341098068676} H4 19 1 1 {} {0.297319372808 0.377362227486 0.248690652698} H5 20 1 1 {} {0.238868493081 0.37999758978 0.230518892817} H6 21 1 1 {} {0.109135689839 0.462335014024 0.175093085807} H7 22 1 1 {} {0.11997568731 0.43838399408 0.287362515577} H8 23 1 1 {} {0.157737019314 0.415385285131 0.201538732916} H9 24 1 1 {} {0.17245815874 0.584981927714 0.105406807045} H10 25 1 1 {} {0.10328355789 0.58303071142 0.296880059372} H11 26 1 1 {} {0.375009699745 0.559338850803 0.268609008737} H12 27 1 1 {} {0.358048277414 0.59822268844 0.419939687458} H13 28 1 1 {} {0.472403690677 0.426830371869 0.407658835863} H14 29 1 1 {} {0.448429681511 0.449490756709 0.256002282416} H15 30 1 1 {} {0.341662861997 0.372021193941 0.442883662031} H16 31 1 1 {} {0.413094722006 0.387845037097 0.521539485992} H17 32 1 1 {} {0.312649355909 0.476472094121 0.556990609437} H18 33 1 1 {} {0.360006317375 0.490930777668 0.612107317409} H19 34 1 1 {} {0.489756713349 0.56502540931 0.313896303861} H20 35 1 1 {} {0.459611544785 0.579937154263 0.406850388929} H21 36 1 6 {} {0.650307191622 0.640299032876 0.488659063269} C4 37 1 14 {} {0.610400976889 0.576812046202 0.44614559674} Si6 38 1 14 {} {0.644804055228 0.726433269879 0.443239523177} Si7 39 1 8 {} {0.601713174784 0.584696782586 0.337296969091} O5 40 1 8 {} {0.628755327564 0.500339964222 0.46540773573} O6 41 1 6 {} {0.556539981176 0.582171333142 0.504976011249} C5 42 1 6 {} {0.596675850599 0.776022508639 0.488524712008} C6 43 1 8 {} {0.639913460202 0.714820092267 0.332989580226} O7 44 1 8 {} {0.692223689787 0.768647585784 0.458521880103} O8 45 1 14 {} {0.637523444913 0.422119147913 0.4377345385} Si8 46 1 7 {} {0.592020929625 0.370392333817 0.455863573537} N4 47 1 14 {} {0.572584205929 0.32046499135 0.366929818446} Si9 48 1 14 {} {0.5663945927 0.366316503107 0.559910247845} Si10 49 1 7 {} {0.604281482234 0.386060487857 0.649700525023} N5 50 1 7 {} {0.606359878928 0.258413100721 0.32814853419} N6 51 1 1 {} {0.643864714428 0.640736323447 0.561162000274} H22 52 1 1 {} {0.684705334071 0.623118900557 0.476891431099} H23 53 1 1 {} {0.615674211345 0.624478227129 0.310416949231} H24 54 1 1 {} {0.556793282353 0.577264091693 0.578074044059} H25 55 1 1 {} {0.540600593975 0.537748271584 0.475225918543} H26 56 1 1 {} {0.538380953199 0.628029202119 0.485971641101} H27 57 1 1 {} {0.595800086134 0.8264805668 0.459034814484} H28 58 1 1 {} {0.59869899116 0.781763551598 0.561485945857} H29 59 1 1 {} {0.564499590617 0.751998271307 0.473502066328} H30 60 1 1 {} {0.647856063736 0.751791220125 0.294443608256} H31 61 1 1 {} {0.692312224804 0.802421519354 0.50387011879} H32 62 1 1 {} {0.648814512249 0.417471060418 0.340546080972} H33 63 1 1 {} {0.676939103981 0.402033407848 0.492633621835} H34 64 1 1 {} {0.530547409557 0.289198809938 0.40035550931} H35 65 1 1 {} {0.564195542908 0.364153394255 0.287367120792} H36 66 1 1 {} {0.529900063027 0.415396513784 0.569937520829} H37 67 1 1 {} {0.550266583235 0.296912117681 0.573606740035} H38 68 1 1 {} {0.608376989852 0.43356575276 0.663629182872} H39 69 1 1 {} {0.628862317372 0.356837835063 0.661844941811} H40 70 1 1 {} {0.631582394519 0.269047955683 0.284487980687} H41 71 1 1 {} {0.61638923211 0.219167344367 0.369482563079} 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