#MD System 2.0 @Title neb0_image06 @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 {} {0.2167994624 0.526615712642 0.328315807398} C1 1 1 14 {} {0.270523495431 0.489395218961 0.286743735154} Si1 2 1 14 {} {0.170154917463 0.534850360422 0.247557469565} Si2 3 1 8 {} {0.282990913473 0.520776592025 0.187885309481} O1 4 1 8 {} {0.310086676585 0.511249954903 0.357719382399} O2 5 1 6 {} {0.268912657939 0.396196259181 0.280575896644} C2 6 1 6 {} {0.13856188727 0.455232833398 0.229795497391} C3 7 1 8 {} {0.19470792595 0.561879368559 0.154063417336} O3 8 1 8 {} {0.134694951936 0.595148276227 0.275820415449} O4 9 1 14 {} {0.361671516715 0.53937541293 0.362659029817} Si3 10 1 7 {} {0.39466109134 0.474276610581 0.403757184827} N1 11 1 14 {} {0.445957775869 0.471216460653 0.351538582406} Si4 12 1 14 {} {0.37598934229 0.421037519634 0.488834482278} Si5 13 1 7 {} {0.346949399442 0.459165890311 0.574158673375} N2 14 1 7 {} {0.455173125248 0.559592574556 0.339035327268} N3 15 1 1 {} {0.205290642611 0.498061163217 0.386875074623} H1 16 1 1 {} {0.224926664695 0.577437421142 0.352179475685} H2 17 1 1 {} {0.257928538991 0.542797706932 0.157821651439} H3 18 1 1 {} {0.263624480213 0.372876709709 0.346082259966} H4 19 1 1 {} {0.30054502937 0.376882793179 0.253847829144} H5 20 1 1 {} {0.242085627147 0.379473371525 0.235794255999} H6 21 1 1 {} {0.112006945562 0.461793085804 0.17988983125} H7 22 1 1 {} {0.122961500838 0.437934762991 0.292193009791} H8 23 1 1 {} {0.160743409939 0.415094310395 0.206408869848} H9 24 1 1 {} {0.175886608161 0.584220692255 0.1105689032} H10 25 1 1 {} {0.106207292698 0.582720986293 0.301695929804} H11 26 1 1 {} {0.378053914178 0.558845942114 0.273314861971} H12 27 1 1 {} {0.361324448442 0.597660581688 0.424623773197} H13 28 1 1 {} {0.475356016933 0.428096945557 0.411570234169} H14 29 1 1 {} {0.451390258322 0.447428127199 0.258937143317} H15 30 1 1 {} {0.344718717652 0.371509184976 0.448173505562} H16 31 1 1 {} {0.416156248212 0.38744539868 0.526539380251} H17 32 1 1 {} {0.315608721776 0.47608099776 0.562073089513} H18 33 1 1 {} {0.362948929804 0.490312853836 0.617160060399} H19 34 1 1 {} {0.490889931174 0.564287888654 0.317834333411} H20 35 1 1 {} {0.454376573993 0.580398091843 0.402143348614} H21 36 1 6 {} {0.648069880763 0.641082541439 0.483769082059} C4 37 1 14 {} {0.60945450449 0.577523502618 0.442025558518} Si6 38 1 14 {} {0.641784978654 0.726697238388 0.438159593705} Si7 39 1 8 {} {0.598623338912 0.585266223751 0.332938100429} O5 40 1 8 {} {0.626210067225 0.500637392267 0.459876834158} O6 41 1 6 {} {0.557743763643 0.584568272943 0.506280838408} C5 42 1 6 {} {0.593470654073 0.776268002914 0.483256793231} C6 43 1 8 {} {0.637955897668 0.714650725943 0.327815349333} O7 44 1 8 {} {0.688722589521 0.769239048394 0.454092162523} O8 45 1 14 {} {0.634699456664 0.422239323122 0.433063408646} Si8 46 1 7 {} {0.588805875704 0.370398937853 0.449830241588} N4 47 1 14 {} {0.569503378069 0.321448814404 0.362570981412} Si9 48 1 14 {} {0.564176233597 0.367353369931 0.558212880947} Si10 49 1 7 {} {0.599715288772 0.386001455673 0.642513647815} N5 50 1 7 {} {0.603993166671 0.25821416597 0.323542086091} N6 51 1 1 {} {0.640540671962 0.640986691942 0.555952358472} H22 52 1 1 {} {0.682352752052 0.623936630393 0.472546249591} H23 53 1 1 {} {0.612616900176 0.624804693624 0.305447667839} H24 54 1 1 {} {0.556074110396 0.579107599648 0.579269772466} H25 55 1 1 {} {0.545786102297 0.535606281857 0.477197834398} H26 56 1 1 {} {0.536911798889 0.627229618029 0.48233370479} H27 57 1 1 {} {0.592630952083 0.826812211414 0.453899060953} H28 58 1 1 {} {0.595575357612 0.782014262554 0.556272681054} H29 59 1 1 {} {0.561157623293 0.752596295193 0.468558181209} H30 60 1 1 {} {0.644809705186 0.752430214213 0.289663421324} H31 61 1 1 {} {0.688917971721 0.803286633847 0.499649028408} H32 62 1 1 {} {0.645641423911 0.417762666998 0.335245441819} H33 63 1 1 {} {0.673843976443 0.402358629638 0.48746924296} H34 64 1 1 {} {0.527658793763 0.28961021239 0.39513112636} H35 65 1 1 {} {0.561192426195 0.364471955258 0.282827966874} H36 66 1 1 {} {0.526899680287 0.416559238452 0.566064518732} H37 67 1 1 {} {0.54697095331 0.297341559886 0.569067993226} H38 68 1 1 {} {0.60559299973 0.434455436822 0.659302471255} H39 69 1 1 {} {0.626614702154 0.356944068303 0.657639586518} H40 70 1 1 {} {0.628630820196 0.269705113671 0.279669612949} H41 71 1 1 {} {0.613463475278 0.220325925683 0.364465406614} 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