#MD System 2.0 @Title neb0_image01 @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 {} {0.202860526272 0.52917121208 0.304919137212} C1 1 1 14 {} {0.256490216846 0.491421958939 0.263168544387} Si1 2 1 14 {} {0.155943133975 0.537525085838 0.224454603075} Si2 3 1 8 {} {0.268779259934 0.523333975363 0.164466614696} O1 4 1 8 {} {0.296864668137 0.511710547861 0.33323824247} O2 5 1 6 {} {0.254206125205 0.398290600742 0.257076344683} C2 6 1 6 {} {0.124058628905 0.458117124386 0.207051464877} C3 7 1 8 {} {0.180009556668 0.563188017712 0.1297401661} O3 8 1 8 {} {0.120900357264 0.598489656067 0.253278099903} O4 9 1 14 {} {0.348125817549 0.541329356839 0.339723840201} Si3 10 1 7 {} {0.383016675883 0.478869534479 0.382132081251} N1 11 1 14 {} {0.437357277343 0.476698906527 0.341109496942} Si4 12 1 14 {} {0.362470375967 0.424214976236 0.46420487512} Si5 13 1 7 {} {0.332844928089 0.461459288514 0.549457611869} N2 14 1 7 {} {0.4598552721 0.556041216168 0.347703403626} N3 15 1 1 {} {0.191053258074 0.501172648113 0.363739112791} H1 16 1 1 {} {0.210711299967 0.580137060251 0.328490205118} H2 17 1 1 {} {0.243538331659 0.54505616462 0.13471874545} H3 18 1 1 {} {0.24891183169 0.375285747789 0.322861074088} H4 19 1 1 {} {0.285863856317 0.379007205663 0.230382268529} H5 20 1 1 {} {0.22741095612 0.381441133003 0.212269692328} H6 21 1 1 {} {0.0976435761823 0.464821180723 0.156886472657} H7 22 1 1 {} {0.108302462479 0.44080262112 0.269239812598} H8 23 1 1 {} {0.146091327026 0.417835239974 0.183501217208} H9 24 1 1 {} {0.161449746466 0.586991126323 0.0871971444296} H10 25 1 1 {} {0.0922292091226 0.585435873384 0.27819870627} H11 26 1 1 {} {0.364810538733 0.56182831645 0.250407025484} H12 27 1 1 {} {0.346391270399 0.600016622795 0.400923923876} H13 28 1 1 {} {0.461032568603 0.423570321281 0.392969235213} H14 29 1 1 {} {0.43916790184 0.459655483833 0.244330432794} H15 30 1 1 {} {0.331147861681 0.375148109046 0.423202053872} H16 31 1 1 {} {0.401903476526 0.389864693597 0.503317889678} H17 32 1 1 {} {0.301245279417 0.47748801759 0.537758538778} H18 33 1 1 {} {0.348450821026 0.492697885685 0.59316451029} H19 34 1 1 {} {0.482453171402 0.571275092574 0.300963314836} H20 35 1 1 {} {0.465691803195 0.57859432958 0.407017045483} H21 36 1 6 {} {0.657746427119 0.637551585356 0.507169381032} C4 37 1 14 {} {0.618337100541 0.573132862622 0.460220907394} Si6 38 1 14 {} {0.655462846624 0.724136328956 0.461658610971} Si7 39 1 8 {} {0.615927119071 0.5809385311 0.350459517163} O5 40 1 8 {} {0.638600827742 0.49867518981 0.484757752755} O6 41 1 6 {} {0.561004666497 0.578764987172 0.509037992886} C5 42 1 6 {} {0.607597567889 0.774306394566 0.506008732483} C6 43 1 8 {} {0.652549520606 0.712272561011 0.351216665897} O7 44 1 8 {} {0.702569249004 0.766648225757 0.477486465517} O8 45 1 14 {} {0.648744682444 0.420666843676 0.456527625665} Si8 46 1 7 {} {0.60320553028 0.368551021655 0.473882600783} N4 47 1 14 {} {0.583433718607 0.319590728348 0.385227051431} Si9 48 1 14 {} {0.578498950209 0.363962783555 0.580182105132} Si10 49 1 7 {} {0.613329957547 0.383330901002 0.667469182422} N5 50 1 7 {} {0.61813031654 0.256651146277 0.347309560932} N6 51 1 1 {} {0.654022579011 0.639159908074 0.580334910536} H22 52 1 1 {} {0.691830566817 0.61908968404 0.493905003933} H23 53 1 1 {} {0.628375618316 0.622974460541 0.328040770254} H24 54 1 1 {} {0.560733274145 0.569443037299 0.581338471839} H25 55 1 1 {} {0.539109028298 0.541423761792 0.477563039564} H26 56 1 1 {} {0.546313531836 0.628439609122 0.497307902004} H27 57 1 1 {} {0.606711834883 0.82488487872 0.477156592539} H28 58 1 1 {} {0.610120697316 0.779662914737 0.578927503277} H29 59 1 1 {} {0.575383234907 0.750262400532 0.491860722827} H30 60 1 1 {} {0.659870445522 0.749951634739 0.313232290445} H31 61 1 1 {} {0.702953646437 0.800554646725 0.52343013322} H32 62 1 1 {} {0.660262986703 0.415603131364 0.359798822961} H33 63 1 1 {} {0.687798961796 0.399709359685 0.511318572735} H34 64 1 1 {} {0.541587002522 0.288062071333 0.418216308989} H35 65 1 1 {} {0.575380045473 0.36243138585 0.305535374902} H36 66 1 1 {} {0.540648500539 0.412260259942 0.586813004613} H37 67 1 1 {} {0.562065457756 0.294023362047 0.59142027352} H38 68 1 1 {} {0.619860824802 0.432286780283 0.68123639624} H39 69 1 1 {} {0.640592116899 0.354777676734 0.680710204076} H40 70 1 1 {} {0.642362102846 0.267239559856 0.302329010991} H41 71 1 1 {} {0.62727356589 0.217896216938 0.387455883405} 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