#MD System 2.0 @Title neb0_image05 @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 {} {0.21920597826 0.527351260326 0.32828293789} C1 1 1 14 {} {0.271867300907 0.487621927881 0.290737009843} Si1 2 1 14 {} {0.172964185891 0.53263493662 0.248539577361} Si2 3 1 8 {} {0.283318168701 0.509437339253 0.185194914341} O1 4 1 8 {} {0.310041234948 0.513736128066 0.361145730642} O2 5 1 6 {} {0.270205713287 0.394586277365 0.285391590861} C2 6 1 6 {} {0.140992309391 0.453546037144 0.232761171138} C3 7 1 8 {} {0.195228063084 0.563884503268 0.156227602307} O3 8 1 8 {} {0.137294185261 0.588679105678 0.285832279008} O4 9 1 14 {} {0.361903588312 0.540320266973 0.367664261578} Si3 10 1 7 {} {0.389558773069 0.469689933922 0.40495296897} N1 11 1 14 {} {0.430291878343 0.459039531348 0.315046744091} Si4 12 1 14 {} {0.376401574295 0.418785020206 0.495442595348} Si5 13 1 7 {} {0.346795358586 0.456860406224 0.580141297706} N2 14 1 7 {} {0.399486586288 0.575867923316 0.239273641184} N3 15 1 1 {} {0.207900292579 0.498523972306 0.386495399603} H1 16 1 1 {} {0.228999558484 0.577955223773 0.350480089377} H2 17 1 1 {} {0.262230506939 0.541665091062 0.157199092238} H3 18 1 1 {} {0.26439905139 0.368359180706 0.348148637535} H4 19 1 1 {} {0.30139246386 0.373012934305 0.259712394286} H5 20 1 1 {} {0.243289197358 0.379866469 0.239784300722} H6 21 1 1 {} {0.114623699117 0.463303252232 0.182940126183} H7 22 1 1 {} {0.12461154117 0.438729046299 0.296079309695} H8 23 1 1 {} {0.161807620915 0.411544434547 0.209712751463} H9 24 1 1 {} {0.174416859893 0.586138481457 0.113578429109} H10 25 1 1 {} {0.108082976408 0.575992591905 0.309520217589} H11 26 1 1 {} {0.377765135733 0.558760468253 0.281170152782} H12 27 1 1 {} {0.363189539093 0.596537945349 0.429685754099} H13 28 1 1 {} {0.477305354308 0.447017170863 0.398055710922} H14 29 1 1 {} {0.446487979182 0.415320113457 0.236794663777} H15 30 1 1 {} {0.346068677916 0.368446267384 0.452537498886} H16 31 1 1 {} {0.41869066516 0.386296313915 0.526651383142} H17 32 1 1 {} {0.316885462354 0.475632369256 0.564467862277} H18 33 1 1 {} {0.36267961608 0.492239938154 0.619738988905} H19 34 1 1 {} {0.480842049275 0.544885184546 0.303650485506} H20 35 1 1 {} {0.382067654652 0.591551000108 0.311985172079} H21 36 1 6 {} {0.661232550251 0.648875461248 0.478906442472} C4 37 1 14 {} {0.624407095451 0.587221310009 0.462132743692} Si6 38 1 14 {} {0.642766506777 0.731497616596 0.431796712076} Si7 39 1 8 {} {0.581722963553 0.593164161942 0.355660637121} O5 40 1 8 {} {0.631905277507 0.502684143252 0.458183157354} O6 41 1 6 {} {0.591514626497 0.596443652115 0.579002031682} C5 42 1 6 {} {0.592718222777 0.778387674152 0.480537147611} C6 43 1 8 {} {0.635598601567 0.716156262095 0.322607952076} O7 44 1 8 {} {0.689173996641 0.776702829276 0.445703689089} O8 45 1 14 {} {0.634185440593 0.423440700582 0.433899607698} Si8 46 1 7 {} {0.587806672213 0.370819015313 0.445847605469} N4 47 1 14 {} {0.569580519156 0.320919880823 0.362552493722} Si9 48 1 14 {} {0.55875033786 0.366778793056 0.547825440695} Si10 49 1 7 {} {0.602845675127 0.387283676901 0.635344787969} N5 50 1 7 {} {0.597561652367 0.257286514314 0.312143754666} N6 51 1 1 {} {0.644726655096 0.642866834117 0.548403922529} H22 52 1 1 {} {0.695929941697 0.63757999236 0.469993467965} H23 53 1 1 {} {0.605574520077 0.620301263306 0.306554058566} H24 54 1 1 {} {0.581115818535 0.60454627995 0.654285611982} H25 55 1 1 {} {0.613667258646 0.507561496985 0.55430098144} H26 56 1 1 {} {0.54940087065 0.615546384775 0.508955713364} H27 57 1 1 {} {0.590926945073 0.828564074786 0.449371910506} H28 58 1 1 {} {0.594175431722 0.784731171721 0.553824011316} H29 59 1 1 {} {0.560080308099 0.755445962028 0.466104560615} H30 60 1 1 {} {0.643331283989 0.751610645446 0.281820686436} H31 61 1 1 {} {0.688539663793 0.806014673812 0.494279657189} H32 62 1 1 {} {0.643830429564 0.420233258445 0.332030915909} H33 63 1 1 {} {0.673826305454 0.405249196005 0.487188667342} H34 64 1 1 {} {0.52608295642 0.292781561234 0.394489705522} H35 65 1 1 {} {0.559365767215 0.366125906117 0.282160718498} H36 66 1 1 {} {0.523142705848 0.414289584833 0.573335057074} H37 67 1 1 {} {0.54647525881 0.294100255498 0.566837803166} H38 68 1 1 {} {0.601234333218 0.433434837459 0.655817219981} H39 69 1 1 {} {0.623377410925 0.358899458544 0.655979137842} H40 70 1 1 {} {0.623891809219 0.269880159622 0.272810902134} H41 71 1 1 {} {0.607921000652 0.216060102529 0.354097159428} 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