#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 {} {0.370758597587 0.582172887882 0.411417193331} C1 1 1 14 {} {0.34826633732 0.555314120886 0.522155355476} Si1 2 1 14 {} {0.432103602406 0.589499723672 0.407280881617} Si2 3 1 8 {} {0.361628762939 0.611988394203 0.598223974614} O1 4 1 8 {} {0.293130268519 0.553020704556 0.515370895339} O2 5 1 6 {} {0.367390870817 0.470047766737 0.556675472257} C2 6 1 6 {} {0.457840094769 0.504441370906 0.392604074551} C3 7 1 8 {} {0.446156964082 0.623330989402 0.505944248405} O3 8 1 8 {} {0.444118429189 0.641168828545 0.323930748433} O4 9 1 14 {} {0.242975838665 0.558068029416 0.556293789322} Si3 10 1 7 {} {0.223507850241 0.479869040899 0.590270032409} N1 11 1 14 {} {0.201256977878 0.471690780591 0.697738773522} Si4 12 1 14 {} {0.224193832498 0.412284108205 0.515086796621} Si5 13 1 7 {} {0.218122811347 0.433154712947 0.40455835336} N2 14 1 7 {} {0.150828951771 0.510653493291 0.718148306607} N3 15 1 1 {} {0.360819722789 0.546413811844 0.359093440917} H1 16 1 1 {} {0.35562306169 0.63063871662 0.394299668622} H2 17 1 1 {} {0.391542677121 0.629941993339 0.587886618814} H3 18 1 1 {} {0.358832364272 0.431420027629 0.507262699883} H4 19 1 1 {} {0.351642498705 0.456118323049 0.620293352049} H5 20 1 1 {} {0.403729188281 0.468904134976 0.566983119659} H6 21 1 1 {} {0.494038685005 0.508144991786 0.39050586366} H7 22 1 1 {} {0.446655578333 0.480595189943 0.330354627861} H8 23 1 1 {} {0.448490231625 0.469790242251 0.446096128643} H9 24 1 1 {} {0.476823377465 0.637904137806 0.511339844398} H10 25 1 1 {} {0.474989334059 0.640345927085 0.305357853403} H11 26 1 1 {} {0.24153085619 0.602416414444 0.636460459401} H12 27 1 1 {} {0.214263026394 0.586249127717 0.484379200151} H13 28 1 1 {} {0.194618019317 0.398585501072 0.712063901556} H14 29 1 1 {} {0.232856501524 0.500875614144 0.763686450721} H15 30 1 1 {} {0.26745046393 0.375636166275 0.521029078266} H16 31 1 1 {} {0.186553645873 0.36774581845 0.541798880708} H17 32 1 1 {} {0.245162823184 0.448157649888 0.36888282615} H18 33 1 1 {} {0.190208753195 0.456945013393 0.382707459846} H19 34 1 1 {} {0.150100761578 0.560305882896 0.732778385367} H20 35 1 1 {} {0.122873278069 0.496879182122 0.684402998088} H21 36 1 6 {} {0.622591583824 0.612066706788 0.35163896558} C4 37 1 14 {} {0.579670226493 0.55050860249 0.389784889282} Si6 38 1 14 {} {0.615921334824 0.700807258807 0.387504558926} Si7 39 1 8 {} {0.533447049329 0.595602799817 0.385285443124} O5 40 1 8 {} {0.57620889029 0.487146958016 0.321284851108} O6 41 1 6 {} {0.587774320061 0.516993936432 0.504198622831} C5 42 1 6 {} {0.63195715426 0.716712228439 0.505992880504} C6 43 1 8 {} {0.561310742604 0.717629526035 0.376512928776} O7 44 1 8 {} {0.642336078436 0.751186080562 0.317198471127} O8 45 1 14 {} {0.570153745614 0.424948176025 0.250398421039} Si8 46 1 7 {} {0.582495406586 0.346774150982 0.293406979694} N4 47 1 14 {} {0.538995654104 0.289759259845 0.315750629329} Si9 48 1 14 {} {0.637032701101 0.320530569253 0.317557157024} Si10 49 1 7 {} {0.678130171309 0.366524861266 0.266232568707} N5 50 1 7 {} {0.515224205639 0.246352985189 0.228769041968} N6 51 1 1 {} {0.656808522209 0.596325008406 0.366514561985} H22 52 1 1 {} {0.621126145493 0.612081385523 0.278272451537} H23 53 1 1 {} {0.539304238812 0.643767511729 0.380038128229} H24 54 1 1 {} {0.619155613221 0.489198418874 0.509298518785} H25 55 1 1 {} {0.560767146407 0.482230795585 0.52129611309} H26 56 1 1 {} {0.588268100488 0.556765090178 0.554622819139} H27 57 1 1 {} {0.626164817474 0.769372577233 0.524259292205} H28 58 1 1 {} {0.667396366139 0.705067689158 0.516536582387} H29 59 1 1 {} {0.612387545959 0.685798555701 0.552656451819} H30 60 1 1 {} {0.549132836265 0.762386551765 0.373118236672} H31 61 1 1 {} {0.659889778717 0.786955645606 0.342974141365} H32 62 1 1 {} {0.522727916279 0.422423442067 0.221800793004} H33 63 1 1 {} {0.599234690549 0.439957844867 0.172714392457} H34 64 1 1 {} {0.558833996112 0.238700309085 0.376733201738} H35 65 1 1 {} {0.502020681168 0.327252380516 0.358964158066} H36 66 1 1 {} {0.646487002103 0.326268935212 0.415065499235} H37 67 1 1 {} {0.640841662195 0.249070435822 0.289256339188} H38 68 1 1 {} {0.691687463949 0.407068314779 0.296606398359} H39 69 1 1 {} {0.681127776489 0.369323898027 0.198875653575} H40 70 1 1 {} {0.492708923492 0.269079512649 0.187991891589} H41 71 1 1 {} {0.53251681387 0.210579025846 0.195077760877} 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