#MD System 2.0 @Title neb0_image07 @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 {} {0.369232554257 0.576189202358 0.411892871414} C1 1 1 14 {} {0.346329443222 0.549463978739 0.522303409342} Si1 2 1 14 {} {0.430578362281 0.585555024158 0.407648481611} Si2 3 1 8 {} {0.359590283759 0.606122577843 0.598488673144} O1 4 1 8 {} {0.291538224282 0.5479023739 0.515271998324} O2 5 1 6 {} {0.365317338575 0.464225680937 0.557045516502} C2 6 1 6 {} {0.459001776914 0.501998460699 0.392948049706} C3 7 1 8 {} {0.444004680283 0.621493557715 0.505533189091} O3 8 1 8 {} {0.442948076586 0.638386651341 0.325614976216} O4 9 1 14 {} {0.241088965334 0.55218648875 0.556592047287} Si3 10 1 7 {} {0.221450882609 0.474304905138 0.590712608377} N1 11 1 14 {} {0.198940605901 0.465938516781 0.698046540482} Si4 12 1 14 {} {0.221907422138 0.406611096632 0.515605637403} Si5 13 1 7 {} {0.215830670936 0.427752058368 0.405207980363} N2 14 1 7 {} {0.148487937438 0.50480588237 0.718438994434} N3 15 1 1 {} {0.359792675794 0.540374452683 0.359504396796} H1 16 1 1 {} {0.354127501759 0.624601821631 0.394705365189} H2 17 1 1 {} {0.389481762005 0.624581485447 0.588563936175} H3 18 1 1 {} {0.356681144863 0.425635027322 0.507706329267} H4 19 1 1 {} {0.349591356229 0.450407074911 0.620754073595} H5 20 1 1 {} {0.401616338012 0.462994879529 0.566997355665} H6 21 1 1 {} {0.494778765326 0.510845621523 0.390283110591} H7 22 1 1 {} {0.449831141744 0.478488372762 0.329089953642} H8 23 1 1 {} {0.452613265002 0.466972642674 0.448008098789} H9 24 1 1 {} {0.47492157676 0.634881444579 0.513062304876} H10 25 1 1 {} {0.474262906848 0.638014162804 0.30815635977} H11 26 1 1 {} {0.239345603039 0.596527590094 0.636900879686} H12 27 1 1 {} {0.21212581837 0.580423820139 0.484944360959} H13 28 1 1 {} {0.192268499272 0.392762852826 0.712524300522} H14 29 1 1 {} {0.230504544399 0.495100572652 0.764269825425} H15 30 1 1 {} {0.265218281692 0.369890028145 0.521475400731} H16 31 1 1 {} {0.184318398542 0.361903379449 0.542238051719} H17 32 1 1 {} {0.24285808021 0.44236747607 0.369189804372} H18 33 1 1 {} {0.187876169141 0.451148477858 0.383079423635} H19 34 1 1 {} {0.147724571629 0.554451631708 0.733328815792} H20 35 1 1 {} {0.120483421133 0.491107563202 0.68482084167} H21 36 1 6 {} {0.623188604143 0.616980690606 0.350930391264} C4 37 1 14 {} {0.579902490622 0.555439997294 0.388764683786} Si6 38 1 14 {} {0.616023941279 0.705256312634 0.387980266953} Si7 39 1 8 {} {0.532420880485 0.597863317583 0.383703109729} O5 40 1 8 {} {0.578958296121 0.490419609853 0.321564741802} O6 41 1 6 {} {0.589501050873 0.522007779404 0.503799701095} C5 42 1 6 {} {0.633578918503 0.722110860949 0.505190376046} C6 43 1 8 {} {0.561085244792 0.721045958828 0.376452523394} O7 44 1 8 {} {0.64321243753 0.754635986582 0.317957772245} O8 45 1 14 {} {0.572333304048 0.429495178634 0.24894076161} Si8 46 1 7 {} {0.584874478751 0.351186421216 0.291837659831} N4 47 1 14 {} {0.541159445894 0.294868413872 0.315370395984} Si9 48 1 14 {} {0.639390806849 0.325777367977 0.317015965853} Si10 49 1 7 {} {0.680405619975 0.371954275231 0.265916072877} N5 50 1 7 {} {0.517366432412 0.251752656335 0.227964825899} N6 51 1 1 {} {0.656754696575 0.599021282053 0.369245999867} H22 52 1 1 {} {0.620746694989 0.617311524903 0.277290550543} H23 53 1 1 {} {0.536913721802 0.647249282478 0.379458842895} H24 54 1 1 {} {0.621483578758 0.494944178424 0.507756322956} H25 55 1 1 {} {0.562882984859 0.486921339243 0.523157960905} H26 56 1 1 {} {0.590006540864 0.562694575805 0.553286961189} H27 57 1 1 {} {0.628308508013 0.774887244582 0.523281928766} H28 58 1 1 {} {0.669152022581 0.710666667399 0.514438073996} H29 59 1 1 {} {0.614590483134 0.691517214103 0.552899636154} H30 60 1 1 {} {0.550070362718 0.766509284293 0.373275757965} H31 61 1 1 {} {0.661091721656 0.790239252812 0.342950971689} H32 62 1 1 {} {0.524712566132 0.427327498773 0.220118553801} H33 63 1 1 {} {0.601555168027 0.445299029434 0.171354214067} H34 64 1 1 {} {0.561158826586 0.244111494742 0.376429369067} H35 65 1 1 {} {0.504371959556 0.332904845484 0.358515977135} H36 66 1 1 {} {0.648700325261 0.331901018305 0.414404655528} H37 67 1 1 {} {0.643249922091 0.254356292932 0.28883372942} H38 68 1 1 {} {0.69379633437 0.412804346878 0.296196877532} H39 69 1 1 {} {0.683448196727 0.374962001068 0.198303136647} H40 70 1 1 {} {0.495132797943 0.27481117089 0.187515533046} H41 71 1 1 {} {0.534723920946 0.216285060202 0.19449336571} 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