#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 {} {0.202558945822 0.529282836137 0.305461193304} C1 1 1 14 {} {0.256388978665 0.492018774016 0.263710996899} Si1 2 1 14 {} {0.155865369502 0.537586017501 0.224559917621} Si2 3 1 8 {} {0.268875290098 0.524776722038 0.165619493056} O1 4 1 8 {} {0.296611900378 0.512070199409 0.334278002985} O2 5 1 6 {} {0.254421680955 0.398860444645 0.256938291617} C2 6 1 6 {} {0.124214118427 0.458004059903 0.20693389616} C3 7 1 8 {} {0.180264902155 0.56323030138 0.130117403542} O3 8 1 8 {} {0.120620784964 0.598621989658 0.252226497156} O4 9 1 14 {} {0.347978465223 0.541425481936 0.339818814762} Si3 10 1 7 {} {0.38279217267 0.478665023416 0.381750159011} N1 11 1 14 {} {0.437190742102 0.476844849238 0.340841363757} Si4 12 1 14 {} {0.362354445906 0.424257267135 0.464301027271} Si5 13 1 7 {} {0.333034389139 0.461869033382 0.549673401875} N2 14 1 7 {} {0.459260225796 0.556477035268 0.347136364433} N3 15 1 1 {} {0.190879839454 0.500679437835 0.363878809936} H1 16 1 1 {} {0.210474421247 0.580145298289 0.329431538769} H2 17 1 1 {} {0.243534416968 0.545492811885 0.134953127555} H3 18 1 1 {} {0.249247030279 0.37572534162 0.3226449782} H4 19 1 1 {} {0.286118909066 0.379715554469 0.23026239809} H5 20 1 1 {} {0.227627814242 0.38191677149 0.212242212568} H6 21 1 1 {} {0.0977175225349 0.464376019189 0.156852155731} H7 22 1 1 {} {0.108628456921 0.440426386091 0.269161602248} H8 23 1 1 {} {0.146532064097 0.418071150992 0.183357037178} H9 24 1 1 {} {0.16174367808 0.586683217256 0.0872923536197} H10 25 1 1 {} {0.0921358017984 0.586165357244 0.277852779285} H11 26 1 1 {} {0.364386925168 0.561536071374 0.250224518243} H12 27 1 1 {} {0.346720186382 0.600121523321 0.400845530153} H13 28 1 1 {} {0.461022313345 0.424219696939 0.393065511542} H14 29 1 1 {} {0.439168191438 0.459546949179 0.2440925331} H15 30 1 1 {} {0.330912739543 0.375190311945 0.423845578409} H16 31 1 1 {} {0.401819889553 0.389940297787 0.50343823064} H17 32 1 1 {} {0.301429148892 0.478339108176 0.538545239698} H18 33 1 1 {} {0.34891548677 0.492548933426 0.593525204644} H19 34 1 1 {} {0.482031735197 0.571524618456 0.301014133012} H20 35 1 1 {} {0.465173525444 0.57886409286 0.406836177739} H21 36 1 6 {} {0.657681243931 0.636899966919 0.50700562862} C4 37 1 14 {} {0.61821870595 0.572896635929 0.459387583224} Si6 38 1 14 {} {0.655342147571 0.72345858725 0.461948630107} Si7 39 1 8 {} {0.616049933508 0.581012289132 0.349663749225} O5 40 1 8 {} {0.638239355666 0.498283009547 0.483840872744} O6 41 1 6 {} {0.561021045913 0.578862655253 0.508504317596} C5 42 1 6 {} {0.60771067562 0.773903693397 0.50676961185} C6 43 1 8 {} {0.651757648928 0.712340119583 0.35143800598} O7 44 1 8 {} {0.702737600903 0.765269470401 0.477583343352} O8 45 1 14 {} {0.648617873421 0.420307147067 0.455829686156} Si8 46 1 7 {} {0.603178473248 0.368187826797 0.473726341466} N4 47 1 14 {} {0.583557617716 0.318993251064 0.385207516876} Si9 48 1 14 {} {0.578490333302 0.364480072188 0.580036980647} Si10 49 1 7 {} {0.61357997772 0.38337304552 0.667246853772} N5 50 1 7 {} {0.618490438414 0.25624389666 0.347702899246} N6 51 1 1 {} {0.653691674557 0.638359688009 0.580101637414} H22 52 1 1 {} {0.691791466304 0.618367107411 0.49437408808} H23 53 1 1 {} {0.628227326572 0.623382799203 0.327568748322} H24 54 1 1 {} {0.560935608666 0.569149934204 0.580715681486} H25 55 1 1 {} {0.538953470374 0.541886018958 0.476794324596} H26 56 1 1 {} {0.54648076492 0.628711582813 0.497417808318} H27 57 1 1 {} {0.606926360155 0.824367920387 0.477426257887} H28 58 1 1 {} {0.609835209837 0.779405626121 0.579767582643} H29 59 1 1 {} {0.57558762199 0.749800404151 0.491846489506} H30 60 1 1 {} {0.659279123779 0.750002025381 0.313520780776} H31 61 1 1 {} {0.703215221037 0.799942559254 0.522652116388} H32 62 1 1 {} {0.660067134224 0.415208480599 0.358999995522} H33 63 1 1 {} {0.687796019777 0.39973022275 0.510658273605} H34 64 1 1 {} {0.541767373667 0.287124630181 0.417941282046} H35 65 1 1 {} {0.575414582962 0.36174627665 0.305492001678} H36 66 1 1 {} {0.541093541278 0.413600201826 0.586463988801} H37 67 1 1 {} {0.561487863284 0.294860855291 0.591664015726} H38 68 1 1 {} {0.620164515694 0.432087750424 0.681686418095} H39 69 1 1 {} {0.640712218289 0.354471411421 0.680344404028} H40 70 1 1 {} {0.642996827274 0.267204544867 0.303174681413} H41 71 1 1 {} {0.627928355654 0.218162336833 0.388577073136} 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