#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 {} {0.356609159254 0.540559610065 0.422714995839} C1 1 1 14 {} {0.337628922771 0.507436485055 0.533784447113} Si1 2 1 14 {} {0.411589181135 0.583409473557 0.418227671035} Si2 3 1 8 {} {0.340911829925 0.567694691573 0.609043108517} O1 4 1 8 {} {0.284676451302 0.485527154434 0.525792441038} O2 5 1 6 {} {0.369288813757 0.431454744009 0.569165846225} C2 6 1 6 {} {0.460583864162 0.526152662195 0.4119701886} C3 7 1 8 {} {0.413405411956 0.627232026471 0.513786193928} O3 8 1 8 {} {0.411957107138 0.634170987363 0.33032625317} O4 9 1 14 {} {0.232358109022 0.491061366192 0.556386149133} Si3 10 1 7 {} {0.212767383889 0.412325065248 0.587889972869} N1 11 1 14 {} {0.176753694854 0.408044686949 0.679786580213} Si4 12 1 14 {} {0.228368324004 0.342338258973 0.523884905677} Si5 13 1 7 {} {0.229552211346 0.354845336068 0.410318955738} N2 14 1 7 {} {0.129239372617 0.456373453156 0.672608616219} N3 15 1 1 {} {0.356310331966 0.500083909078 0.372707906247} H1 16 1 1 {} {0.331548944731 0.577505821387 0.400685538307} H2 17 1 1 {} {0.364696455376 0.599840531427 0.595945967325} H3 18 1 1 {} {0.365971937277 0.390429658816 0.520706401048} H4 19 1 1 {} {0.356643114699 0.413380563901 0.633684177249} H5 20 1 1 {} {0.405006356345 0.442426636103 0.577424584029} H6 21 1 1 {} {0.49260803605 0.553214822164 0.411543282822} H7 22 1 1 {} {0.459104401477 0.495144215741 0.351312935953} H8 23 1 1 {} {0.461084500182 0.492362704867 0.469772235238} H9 24 1 1 {} {0.438758848734 0.656393539641 0.523904136481} H10 25 1 1 {} {0.440529375086 0.642402467931 0.302084782426} H11 26 1 1 {} {0.226611195147 0.536721251851 0.634404071815} H12 27 1 1 {} {0.206866103495 0.517637050713 0.478645815281} H13 28 1 1 {} {0.163876824134 0.336328422314 0.687953170779} H14 29 1 1 {} {0.199813541335 0.432401696718 0.761635648692} H15 30 1 1 {} {0.27429723906 0.320618219801 0.548743674926} H16 31 1 1 {} {0.195242263914 0.288913498759 0.544203588677} H17 32 1 1 {} {0.256015095494 0.378721662515 0.382314245797} H18 33 1 1 {} {0.201081941955 0.365439469382 0.376282536579} H19 34 1 1 {} {0.129058662552 0.503993728576 0.69627553704} H20 35 1 1 {} {0.106574486937 0.450375158166 0.622845305531} H21 36 1 6 {} {0.585326330246 0.342199141685 0.309141045875} C4 37 1 14 {} {0.580809603879 0.375344275447 0.42638532277} Si6 38 1 14 {} {0.569326573513 0.253171395556 0.29121435653} Si7 39 1 8 {} {0.60968236716 0.326484409524 0.494237937486} O5 40 1 8 {} {0.603073677649 0.450720119239 0.431117813536} O6 41 1 6 {} {0.521679879229 0.383120036279 0.463181760743} C5 42 1 6 {} {0.508426278447 0.242503559216 0.267666982486} C6 43 1 8 {} {0.584625433206 0.21454691229 0.385501395059} O7 44 1 8 {} {0.59905234311 0.216157348824 0.211349338868} O8 45 1 14 {} {0.64686046441 0.495593036073 0.459745243404} Si8 46 1 7 {} {0.631326404916 0.576637465938 0.486812601464} N4 47 1 14 {} {0.637913092998 0.604371395571 0.59722499318} Si9 48 1 14 {} {0.607405480526 0.630281348954 0.407933061968} Si10 49 1 7 {} {0.618567699515 0.610878510198 0.298352913723} N5 50 1 7 {} {0.690704770371 0.624254477699 0.633891387295} N6 51 1 1 {} {0.565862164487 0.374019180675 0.263299428625} H22 52 1 1 {} {0.620634538104 0.347348652002 0.289451841011} H23 53 1 1 {} {0.607670261874 0.279380436618 0.476758333056} H24 54 1 1 {} {0.502995706015 0.41564366863 0.417634920061} H25 55 1 1 {} {0.520156024419 0.405448557881 0.530191253445} H26 56 1 1 {} {0.504762106525 0.334351182757 0.465694362213} H27 57 1 1 {} {0.499154980061 0.18937551411 0.263050555164} H28 58 1 1 {} {0.499125031503 0.266631621558 0.204307000359} H29 59 1 1 {} {0.488007246998 0.265340608303 0.320460640003} H30 60 1 1 {} {0.58735818291 0.166212978034 0.38321030465} H31 61 1 1 {} {0.585848951274 0.21212553601 0.152631603626} H32 62 1 1 {} {0.668887207277 0.466863005902 0.540427655185} H33 63 1 1 {} {0.678546600808 0.495231721778 0.383078266783} H34 64 1 1 {} {0.610324904657 0.666379000906 0.603650435219} H35 65 1 1 {} {0.621460240647 0.551295439221 0.658711384765} H36 66 1 1 {} {0.557637954896 0.629606072979 0.415421246582} H37 67 1 1 {} {0.624374384214 0.699142062121 0.425730986688} H38 68 1 1 {} {0.602072861937 0.572649445503 0.268012468246} H39 69 1 1 {} {0.650167586582 0.614641415222 0.273934511551} H40 70 1 1 {} {0.712018400363 0.586996061383 0.651387448432} H41 71 1 1 {} {0.707596726062 0.663219688238 0.606523639312} 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