#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 {} {0.365551547585 0.565981089931 0.412739404735} C1 1 1 14 {} {0.342462823235 0.539466280505 0.523180065022} Si1 2 1 14 {} {0.427145291302 0.576335803781 0.408209012418} Si2 3 1 8 {} {0.355651602068 0.596093247924 0.599190168029} O1 4 1 8 {} {0.287500170896 0.537937053312 0.515982432922} O2 5 1 6 {} {0.361342837967 0.454246550626 0.557849876147} C2 6 1 6 {} {0.457517223747 0.49526718474 0.393485263672} C3 7 1 8 {} {0.440154299006 0.611831000719 0.506806340031} O3 8 1 8 {} {0.439601315555 0.628597050239 0.325503543555} O4 9 1 14 {} {0.237125819122 0.542296756516 0.557287100029} Si3 10 1 7 {} {0.217485548277 0.464123103398 0.591506898588} N1 11 1 14 {} {0.195025130861 0.455830833844 0.698956429083} Si4 12 1 14 {} {0.218004014736 0.3964239246 0.516433351365} Si5 13 1 7 {} {0.211898781626 0.417619890146 0.405979394474} N2 14 1 7 {} {0.144545057191 0.494783536891 0.719302253456} N3 15 1 1 {} {0.355847634772 0.530287868783 0.360218552079} H1 16 1 1 {} {0.350255249113 0.614437634561 0.395448751134} H2 17 1 1 {} {0.385525075004 0.614534715652 0.589459755719} H3 18 1 1 {} {0.352697234332 0.415623804186 0.508544769639} H4 19 1 1 {} {0.345648009629 0.440362114997 0.621525352576} H5 20 1 1 {} {0.397668726728 0.4529744352 0.567832212027} H6 21 1 1 {} {0.493432949289 0.504768022581 0.390576197063} H7 22 1 1 {} {0.44814146917 0.471039294105 0.330405890507} H8 23 1 1 {} {0.451298535576 0.459910489649 0.448112931148} H9 24 1 1 {} {0.47112912401 0.625170724602 0.513351226285} H10 25 1 1 {} {0.471343230209 0.627993774608 0.311700911352} H11 26 1 1 {} {0.235394451721 0.586439163183 0.63758338869} H12 27 1 1 {} {0.208187071505 0.570368596752 0.485729156336} H13 28 1 1 {} {0.188322863126 0.382751968686 0.713270950867} H14 29 1 1 {} {0.226538810899 0.485031219151 0.765037171977} H15 30 1 1 {} {0.261261908985 0.359821017494 0.522269068812} H16 31 1 1 {} {0.180372392603 0.351856969876 0.543096962506} H17 32 1 1 {} {0.238917034946 0.432345268823 0.370022522075} H18 33 1 1 {} {0.183915343441 0.441089147254 0.383935809529} H19 34 1 1 {} {0.143787841954 0.54443011967 0.734146495544} H20 35 1 1 {} {0.116537106804 0.481054675049 0.685659971609} H21 36 1 6 {} {0.625667741101 0.626719548047 0.350384736995} C4 37 1 14 {} {0.582726681132 0.564450968631 0.387958149659} Si6 38 1 14 {} {0.619612835812 0.715096207774 0.387085136704} Si7 39 1 8 {} {0.533466143818 0.603206725619 0.382714058675} O5 40 1 8 {} {0.582682704551 0.499968886822 0.320726443006} O6 41 1 6 {} {0.593086159126 0.532185257893 0.502899006558} C5 42 1 6 {} {0.637564902022 0.73209461939 0.504298183278} C6 43 1 8 {} {0.564702887167 0.730125345625 0.375674965345} O7 44 1 8 {} {0.647079917734 0.764564072343 0.317103263469} O8 45 1 14 {} {0.57627013967 0.439295232618 0.247909586759} Si8 46 1 7 {} {0.588766332208 0.361243039639 0.291003442953} N4 47 1 14 {} {0.545166681602 0.304952793459 0.314515945754} Si9 48 1 14 {} {0.643380043576 0.335870135779 0.316213345193} Si10 49 1 7 {} {0.684396408122 0.382031021942 0.265081315183} N5 50 1 7 {} {0.521321255131 0.261830397297 0.227287214009} N6 51 1 1 {} {0.659096510891 0.608520611939 0.368972101474} H22 52 1 1 {} {0.624400417608 0.627398360651 0.276742446359} H23 53 1 1 {} {0.537015073558 0.652206437428 0.378526647394} H24 54 1 1 {} {0.625136646024 0.50545473473 0.506076358275} H25 55 1 1 {} {0.566798128252 0.496818320241 0.522892762579} H26 56 1 1 {} {0.593865169192 0.572745066525 0.55246708428} H27 57 1 1 {} {0.632294915159 0.784872826387 0.522419089459} H28 58 1 1 {} {0.673150012753 0.720673211098 0.513630993108} H29 59 1 1 {} {0.618566628745 0.701540904356 0.552033092383} H30 60 1 1 {} {0.553995645704 0.775823150934 0.372562687427} H31 61 1 1 {} {0.665055622249 0.800162777569 0.342145318383} H32 62 1 1 {} {0.528631584539 0.437274097594 0.219106672654} H33 63 1 1 {} {0.605543386412 0.45532424496 0.170416823738} H34 64 1 1 {} {0.565111221414 0.25413907893 0.375609156747} H35 65 1 1 {} {0.508348722596 0.342900965432 0.357718969791} H36 66 1 1 {} {0.652657987079 0.341952073238 0.41373772995} H37 67 1 1 {} {0.647219435055 0.264435516362 0.288062713107} H38 68 1 1 {} {0.697755312873 0.422785656631 0.295323007642} H39 69 1 1 {} {0.687412836338 0.384970596652 0.197638397782} H40 70 1 1 {} {0.499025429211 0.284913437799 0.186609190503} H41 71 1 1 {} {0.538717280481 0.226265618005 0.193665986546} 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