#MD System 2.0 @Title neb0_image08 @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 {} {0.371432187901 0.581020892331 0.411336413019} C1 1 1 14 {} {0.348266760298 0.554185519619 0.521743891439} Si1 2 1 14 {} {0.43286239718 0.590146574067 0.407035859137} Si2 3 1 8 {} {0.361425585224 0.610935488019 0.597946603108} O1 4 1 8 {} {0.293412777823 0.552366655129 0.514955144291} O2 5 1 6 {} {0.367206390329 0.468978234306 0.556682978607} C2 6 1 6 {} {0.460287305216 0.506528661151 0.392742908457} C3 7 1 8 {} {0.445995675185 0.626383725589 0.505030443108} O3 8 1 8 {} {0.4454000361 0.643230916782 0.325199197061} O4 9 1 14 {} {0.242919373306 0.556873369244 0.556210124164} Si3 10 1 7 {} {0.223236622651 0.478854263254 0.590378404008} N1 11 1 14 {} {0.20077287947 0.470567753051 0.697804491835} Si4 12 1 14 {} {0.223780892211 0.411189060611 0.515266710335} Si5 13 1 7 {} {0.217717508805 0.43233138636 0.404824696745} N2 14 1 7 {} {0.150329646621 0.509582579488 0.71803777523} N3 15 1 1 {} {0.361625403857 0.545093735045 0.359071435332} H1 16 1 1 {} {0.355920937401 0.629279256122 0.394292704189} H2 17 1 1 {} {0.391289785106 0.629297016798 0.588243089898} H3 18 1 1 {} {0.358552602348 0.430394612555 0.507308698488} H4 19 1 1 {} {0.351475026952 0.455160851279 0.620347678614} H5 20 1 1 {} {0.403521729154 0.467719878163 0.56652713181} H6 21 1 1 {} {0.495886354608 0.514921137387 0.389769379815} H7 22 1 1 {} {0.452458791075 0.483958210958 0.327243543119} H8 23 1 1 {} {0.455359705365 0.471812428382 0.449102425408} H9 24 1 1 {} {0.47674196874 0.640443033713 0.51257964653} H10 25 1 1 {} {0.476738525035 0.644677576646 0.309166756295} H11 26 1 1 {} {0.241198549786 0.601162052493 0.636428591027} H12 27 1 1 {} {0.214030523639 0.585088731547 0.484548339189} H13 28 1 1 {} {0.194082627435 0.397438033597 0.712135172857} H14 29 1 1 {} {0.232340981761 0.499745460267 0.76389144865} H15 30 1 1 {} {0.267079082724 0.374584504687 0.521122398228} H16 31 1 1 {} {0.186201654073 0.366497686032 0.541873687222} H17 32 1 1 {} {0.244709417167 0.447000660478 0.3688219625} H18 33 1 1 {} {0.189715429225 0.455764063732 0.382697940117} H19 34 1 1 {} {0.149575352307 0.559186844028 0.732958092555} H20 35 1 1 {} {0.122321365252 0.495835376496 0.684410990793} H21 36 1 6 {} {0.620868901353 0.612288689359 0.351335083848} C4 37 1 14 {} {0.57899019308 0.550106325665 0.389170606466} Si6 38 1 14 {} {0.613829301832 0.700321749082 0.388328831572} Si7 39 1 8 {} {0.532293501557 0.592955070345 0.383595805142} O5 40 1 8 {} {0.576999182419 0.485341295863 0.321975465295} O6 41 1 6 {} {0.587465681227 0.51720200103 0.504386392429} C5 42 1 6 {} {0.631703452903 0.717405299144 0.505489773443} C6 43 1 8 {} {0.558900226077 0.716017439212 0.376756470633} O7 44 1 8 {} {0.641304952988 0.749788759503 0.318430999673} O8 45 1 14 {} {0.570472842674 0.424602077347 0.249183817542} Si8 46 1 7 {} {0.582965965834 0.346451730789 0.292183204641} N4 47 1 14 {} {0.539349689849 0.290149602954 0.31577933623} Si9 48 1 14 {} {0.637564431963 0.321068766422 0.317394748137} Si10 49 1 7 {} {0.678612457248 0.367268241848 0.26622720716} N5 50 1 7 {} {0.515451658583 0.246968636939 0.228604555226} N6 51 1 1 {} {0.65393658703 0.593940676494 0.370065859867} H22 52 1 1 {} {0.618631541042 0.61258879748 0.277941684856} H23 53 1 1 {} {0.532807910805 0.642971706719 0.379079858012} H24 54 1 1 {} {0.619453510176 0.490540245973 0.507401229872} H25 55 1 1 {} {0.561026741558 0.482000307202 0.523991148853} H26 56 1 1 {} {0.588114452778 0.557960323568 0.553609752186} H27 57 1 1 {} {0.626462855925 0.770192822727 0.523637701494} H28 58 1 1 {} {0.667291738301 0.705987912623 0.514790391084} H29 59 1 1 {} {0.612754574427 0.686835636262 0.553250990267} H30 60 1 1 {} {0.548273287074 0.761681435713 0.373732977157} H31 61 1 1 {} {0.659231528562 0.785427951787 0.343405202988} H32 62 1 1 {} {0.522815415476 0.422602095273 0.220414351349} H33 63 1 1 {} {0.599706624882 0.440591329747 0.171728884783} H34 64 1 1 {} {0.559346972478 0.239384960874 0.376810688624} H35 65 1 1 {} {0.502562055553 0.328199719973 0.358931307471} H36 66 1 1 {} {0.646844220711 0.327166898625 0.414918552634} H37 67 1 1 {} {0.641371246739 0.249660808935 0.289264709569} H38 68 1 1 {} {0.69190768549 0.408063401047 0.296556803847} H39 69 1 1 {} {0.681585861225 0.370225591259 0.198845008631} H40 70 1 1 {} {0.493271056325 0.270203940659 0.187793102454} H41 71 1 1 {} {0.532882176861 0.211537781444 0.194802347954} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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