#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 {} {0.370849842194 0.582030512183 0.411476077361} C1 1 1 14 {} {0.348288768909 0.555157060284 0.522204500537} Si1 2 1 14 {} {0.432427831663 0.589268984937 0.407194309714} Si2 3 1 8 {} {0.361635285687 0.611845841415 0.598122728118} O1 4 1 8 {} {0.293132046629 0.552970803932 0.515256299217} O2 5 1 6 {} {0.367386054842 0.469883174005 0.556630095763} C2 6 1 6 {} {0.457973647778 0.504644980248 0.392619578407} C3 7 1 8 {} {0.44607647567 0.624026772667 0.505913786338} O3 8 1 8 {} {0.444219697813 0.641712359374 0.324435821447} O4 9 1 14 {} {0.243075999877 0.557894030062 0.556207454514} Si3 10 1 7 {} {0.223510691369 0.479765541816 0.590267483552} N1 11 1 14 {} {0.201201278386 0.471536838556 0.697744487503} Si4 12 1 14 {} {0.224142061834 0.4121423893 0.515104029482} Si5 13 1 7 {} {0.218077090497 0.433023395208 0.40457301952} N2 14 1 7 {} {0.150762702506 0.51051005875 0.718134442229} N3 15 1 1 {} {0.361102284163 0.546162554203 0.359019289002} H1 16 1 1 {} {0.355640632181 0.630665041113 0.394214397313} H2 17 1 1 {} {0.391533448097 0.629922082438 0.587937144302} H3 18 1 1 {} {0.358816757215 0.431285198248 0.507269879372} H4 19 1 1 {} {0.35164978891 0.456031156223 0.620254086945} H5 20 1 1 {} {0.403718659336 0.468710977561 0.566865302123} H6 21 1 1 {} {0.494239862065 0.509359107835 0.390542020678} H7 22 1 1 {} {0.447336240506 0.480581059807 0.330242968744} H8 23 1 1 {} {0.449302191789 0.469545409125 0.44626888757} H9 24 1 1 {} {0.47683312707 0.638479891029 0.511695963662} H10 25 1 1 {} {0.475160620951 0.641213928288 0.305558966607} H11 26 1 1 {} {0.241516465323 0.602236641736 0.636431441123} H12 27 1 1 {} {0.214269079445 0.586074888074 0.484406498568} H13 28 1 1 {} {0.194541919214 0.398450373351 0.712066869458} H14 29 1 1 {} {0.232779567697 0.500720010494 0.763727445499} H15 30 1 1 {} {0.26740621734 0.375487299083 0.521031305706} H16 31 1 1 {} {0.186514141759 0.367585493019 0.541800206771} H17 32 1 1 {} {0.245092117163 0.447994995172 0.368865918037} H18 33 1 1 {} {0.190140775187 0.456791888195 0.382700601662} H19 34 1 1 {} {0.150022229348 0.560154896034 0.732800147113} H20 35 1 1 {} {0.122793609736 0.496743539882 0.684393712032} H21 36 1 6 {} {0.622554043207 0.611744434434 0.3516385874} C4 37 1 14 {} {0.579456433542 0.550526581435 0.389754997813} Si6 38 1 14 {} {0.615507664731 0.700503107336 0.387740313533} Si7 39 1 8 {} {0.533174686245 0.595744659179 0.38496040997} O5 40 1 8 {} {0.576397134215 0.486919583963 0.321542080743} O6 41 1 6 {} {0.587771680856 0.516984575806 0.504051662734} C5 42 1 6 {} {0.631797480452 0.716758529473 0.506017248484} C6 43 1 8 {} {0.560907631995 0.717575582033 0.376661796572} O7 44 1 8 {} {0.641924625179 0.7509083855 0.317306819255} O8 45 1 14 {} {0.570232930231 0.424998479639 0.250391894039} Si8 46 1 7 {} {0.582539295235 0.346614489451 0.293051542019} N4 47 1 14 {} {0.53903962533 0.289712158498 0.31573358832} Si9 48 1 14 {} {0.637117598275 0.320537650031 0.31751329791} Si10 49 1 7 {} {0.678185574858 0.366610921517 0.26624088362} N5 50 1 7 {} {0.515242183314 0.246393042687 0.228770028936} N6 51 1 1 {} {0.656735535876 0.595926247559 0.366892787818} H22 52 1 1 {} {0.620675824835 0.612045144184 0.278248218222} H23 53 1 1 {} {0.539279092124 0.644781442454 0.379941729533} H24 54 1 1 {} {0.619174324803 0.489295582178 0.509296937987} H25 55 1 1 {} {0.56089015438 0.482204453398 0.521696345625} H26 56 1 1 {} {0.588219983479 0.556825304226 0.554305352076} H27 57 1 1 {} {0.626150994244 0.769473993511 0.524096088785} H28 58 1 1 {} {0.667266212854 0.705135402296 0.515948962052} H29 59 1 1 {} {0.612401728214 0.685908907937 0.552979845703} H30 60 1 1 {} {0.548777605128 0.762431072879 0.373240914556} H31 61 1 1 {} {0.659618832557 0.786407020904 0.34310575843} H32 62 1 1 {} {0.522748155776 0.422324373874 0.221477154315} H33 63 1 1 {} {0.599270202381 0.439949698475 0.172486471654} H34 64 1 1 {} {0.558898032263 0.238723460521 0.376789824623} H35 65 1 1 {} {0.502092147162 0.327380448401 0.358978445165} H36 66 1 1 {} {0.646520218228 0.326383972763 0.415031325418} H37 67 1 1 {} {0.640954947801 0.249072584452 0.289267793193} H38 68 1 1 {} {0.69170429665 0.407190419963 0.296598807722} H39 69 1 1 {} {0.681191598104 0.369427170921 0.198867674737} H40 70 1 1 {} {0.492773657029 0.269224527117 0.187942430574} H41 71 1 1 {} {0.532560995959 0.21068366939 0.195006374215} 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