#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 {} {0.225085423295 0.525104738838 0.342246811541} C1 1 1 14 {} {0.278435254695 0.48773671783 0.300384310586} Si1 2 1 14 {} {0.178806657272 0.53355710992 0.261425221527} Si2 3 1 8 {} {0.291306040564 0.518902426931 0.201679447923} O1 4 1 8 {} {0.316333820533 0.511426377982 0.373335180972} O2 5 1 6 {} {0.277320742697 0.394504095853 0.294283150597} C2 6 1 6 {} {0.147180773224 0.453911415622 0.243724826547} C3 7 1 8 {} {0.203358720777 0.560994885842 0.168018561194} O3 8 1 8 {} {0.143317747432 0.593612044801 0.289975399383} O4 9 1 14 {} {0.368498936685 0.537343665045 0.374279207458} Si3 10 1 7 {} {0.397925268305 0.467755340894 0.413956549814} N1 11 1 14 {} {0.443553464344 0.462221881561 0.34148777044} Si4 12 1 14 {} {0.383054297214 0.418152028754 0.503465869575} Si5 13 1 7 {} {0.354917089438 0.457126164194 0.589839589173} N2 14 1 7 {} {0.430074424549 0.566053857408 0.297958957961} N3 15 1 1 {} {0.21376671792 0.496473232551 0.400893369344} H1 16 1 1 {} {0.233668489619 0.575833025364 0.366134782989} H2 17 1 1 {} {0.26641986287 0.541244275663 0.171371528681} H3 18 1 1 {} {0.271988284068 0.371141915425 0.359663092101} H4 19 1 1 {} {0.308932014105 0.375133735993 0.267645413565} H5 20 1 1 {} {0.250550480113 0.377890544274 0.249440818077} H6 21 1 1 {} {0.120655052089 0.460456770118 0.193827432561} H7 22 1 1 {} {0.131515580762 0.436651123963 0.3061413113} H8 23 1 1 {} {0.169242639835 0.413582263925 0.220438287289} H9 24 1 1 {} {0.184191316427 0.582761628787 0.124302371841} H10 25 1 1 {} {0.114815268611 0.580869772673 0.315540306205} H11 26 1 1 {} {0.38394577361 0.556295538345 0.285059518538} H12 27 1 1 {} {0.370342380866 0.595641655354 0.438123573314} H13 28 1 1 {} {0.482886928801 0.439601119671 0.413955400835} H14 29 1 1 {} {0.455843739088 0.427530047907 0.257530175916} H15 30 1 1 {} {0.351899864719 0.366821835432 0.464106354883} H16 31 1 1 {} {0.424563934365 0.385882746657 0.539943866982} H17 32 1 1 {} {0.324050685858 0.47489177766 0.576616692445} H18 33 1 1 {} {0.371079708164 0.488803283955 0.631489712294} H19 34 1 1 {} {0.481663832922 0.560010637519 0.316257183274} H20 35 1 1 {} {0.40940049277 0.589340120428 0.359159062422} H21 36 1 6 {} {0.650576185036 0.645796649893 0.470491448919} C4 37 1 14 {} {0.613323886062 0.583602856867 0.439724878625} Si6 38 1 14 {} {0.63566311785 0.730129511137 0.423634926302} Si7 39 1 8 {} {0.586987524984 0.589275060015 0.334822452828} O5 40 1 8 {} {0.622386023503 0.50166706584 0.445587386899} O6 41 1 6 {} {0.569875155603 0.591161020107 0.530248298154} C5 42 1 6 {} {0.585467504611 0.777137727969 0.469364346241} C6 43 1 8 {} {0.629724385351 0.716594702246 0.313937093391} O7 44 1 8 {} {0.681800026098 0.775186716115 0.437956185483} O8 45 1 14 {} {0.627048200418 0.422773916133 0.419835032332} Si8 46 1 7 {} {0.580263767129 0.371792556577 0.435903451314} N4 47 1 14 {} {0.561044859434 0.322689137302 0.349432622178} Si9 48 1 14 {} {0.55637269751 0.368114396289 0.545670931423} Si10 49 1 7 {} {0.592251692141 0.386745380333 0.628444205487} N5 50 1 7 {} {0.595146858578 0.259033837277 0.309015334491} N6 51 1 1 {} {0.635717800826 0.643113916835 0.540171553116} H22 52 1 1 {} {0.685654305295 0.632540820839 0.462757517883} H23 53 1 1 {} {0.600849094173 0.624289180939 0.294531324626} H24 54 1 1 {} {0.565554411935 0.595429815341 0.606417954896} H25 55 1 1 {} {0.578601104312 0.521038389027 0.510570511696} H26 56 1 1 {} {0.537330567089 0.617163002359 0.483689426745} H27 57 1 1 {} {0.584365108903 0.827823514418 0.439832605548} H28 58 1 1 {} {0.587148827336 0.783515298397 0.542303908504} H29 59 1 1 {} {0.55298590886 0.753903372361 0.454305085676} H30 60 1 1 {} {0.635872572299 0.753910070801 0.274659922229} H31 61 1 1 {} {0.680993856144 0.806904410573 0.486269067957} H32 62 1 1 {} {0.637213468893 0.41850277058 0.320782292671} H33 63 1 1 {} {0.666035071744 0.402533025567 0.474193240055} H34 64 1 1 {} {0.519042563399 0.290740273385 0.381598239003} H35 65 1 1 {} {0.55244692739 0.366040223147 0.269577488087} H36 66 1 1 {} {0.519985577757 0.418115019435 0.558323372312} H37 67 1 1 {} {0.538379416571 0.298255003951 0.555281072127} H38 68 1 1 {} {0.597122324331 0.435424975895 0.645862803897} H39 69 1 1 {} {0.619331253454 0.358223379649 0.645119037236} H40 70 1 1 {} {0.619822421435 0.2711998589 0.265927466416} H41 71 1 1 {} {0.604701676909 0.221676279755 0.349864485626} 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