#MD System 2.0 @Title neb0_image09 @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 {} {0.223144931845 0.525377826125 0.339084686548} C1 1 1 14 {} {0.277086072328 0.488412718793 0.297234005714} Si1 2 1 14 {} {0.176438787124 0.53390301472 0.258115001987} Si2 3 1 8 {} {0.289709960687 0.521626699721 0.19949471088} O1 4 1 8 {} {0.317029873486 0.508680028868 0.368253440597} O2 5 1 6 {} {0.275110581916 0.395214502277 0.290224202192} C2 6 1 6 {} {0.144912205057 0.454175317144 0.240333760671} C3 7 1 8 {} {0.200942371599 0.559695813868 0.163810948739} O3 8 1 8 {} {0.141093545625 0.595071343102 0.284943410221} O4 9 1 14 {} {0.368529234491 0.537590098385 0.373300373389} Si3 10 1 7 {} {0.403275335545 0.47468313264 0.414935780594} N1 11 1 14 {} {0.457723887448 0.473158609095 0.374103386548} Si4 12 1 14 {} {0.382889581234 0.420496574089 0.497735107401} Si5 13 1 7 {} {0.353776431452 0.458330469906 0.583141501193} N2 14 1 7 {} {0.4796958728 0.552892938453 0.380289435827} N3 15 1 1 {} {0.211526213606 0.496785224075 0.397592246728} H1 16 1 1 {} {0.230958567363 0.57621668108 0.363287233867} H2 17 1 1 {} {0.264127208786 0.541612786969 0.168753557171} H3 18 1 1 {} {0.269954863305 0.372281073161 0.356112423325} H4 19 1 1 {} {0.306836430054 0.376242816819 0.263426361228} H5 20 1 1 {} {0.248334481639 0.378118577833 0.245511258901} H6 21 1 1 {} {0.118389870292 0.460336223208 0.190285360237} H7 22 1 1 {} {0.129379336281 0.436410156174 0.302504449625} H8 23 1 1 {} {0.167319855345 0.414376728656 0.216707484975} H9 24 1 1 {} {0.182464825154 0.582807722267 0.120569863606} H10 25 1 1 {} {0.112716490428 0.582693523324 0.31105177073} H11 26 1 1 {} {0.384927802604 0.557578747832 0.283365740605} H12 27 1 1 {} {0.367397965573 0.596476219246 0.434391504786} H13 28 1 1 {} {0.481733894478 0.420729228209 0.426719552914} H14 29 1 1 {} {0.459823865732 0.455833056695 0.277284534782} H15 30 1 1 {} {0.351404169269 0.371327004995 0.457476697475} H16 31 1 1 {} {0.422356827057 0.386262318094 0.537052625387} H17 32 1 1 {} {0.322153353868 0.474790163404 0.572208040745} H18 33 1 1 {} {0.369800561641 0.488694719711 0.627174336398} H19 34 1 1 {} {0.502554262491 0.567806782317 0.334227634915} H20 35 1 1 {} {0.485512426573 0.575016407472 0.440251838033} H21 36 1 6 {} {0.637051878868 0.640426441834 0.473621262806} C4 37 1 14 {} {0.597559506585 0.576585259416 0.425686029126} Si6 38 1 14 {} {0.634683856337 0.727062214843 0.428752638296} Si7 39 1 8 {} {0.595293682868 0.584864281327 0.316039594829} O5 40 1 8 {} {0.617244743667 0.501826142071 0.4499566815} O6 41 1 6 {} {0.540459360319 0.5827299706 0.474713643691} C5 42 1 6 {} {0.58710934763 0.777513505959 0.47346809974} C6 43 1 8 {} {0.630363581483 0.716330393495 0.318301818632} O7 44 1 8 {} {0.682330829679 0.768419353314 0.444429718162} O8 45 1 14 {} {0.627871861807 0.423968847008 0.422065917356} Si8 46 1 7 {} {0.582535531818 0.371772293917 0.440180650499} N4 47 1 14 {} {0.562978899298 0.322577595052 0.351673627246} Si9 48 1 14 {} {0.557882248587 0.368481204031 0.546707837483} Si10 49 1 7 {} {0.593075543866 0.387230901292 0.633636140541} N5 50 1 7 {} {0.598030173254 0.259880902385 0.314412827838} N6 51 1 1 {} {0.632912201852 0.641966370831 0.546696574745} H22 52 1 1 {} {0.671112609101 0.621601022207 0.461160782625} H23 53 1 1 {} {0.607592916056 0.627226611287 0.294237092827} H24 54 1 1 {} {0.540640101508 0.572754645002 0.546860614428} H25 55 1 1 {} {0.51837862243 0.545784212029 0.442937191712} H26 56 1 1 {} {0.526038574597 0.632703733042 0.463897061921} H27 57 1 1 {} {0.586363472907 0.827952562851 0.444096294831} H28 58 1 1 {} {0.589174139813 0.78303827055 0.546398698412} H29 59 1 1 {} {0.55504768851 0.753345978986 0.458267513302} H30 60 1 1 {} {0.638415484902 0.753705201128 0.280348690804} H31 61 1 1 {} {0.682659725992 0.803469618544 0.489045951385} H32 62 1 1 {} {0.639417870861 0.418902354819 0.325334801328} H33 63 1 1 {} {0.66704881903 0.403582710141 0.476849814966} H34 64 1 1 {} {0.521209512423 0.290541064486 0.384564575859} H35 65 1 1 {} {0.554823065598 0.365426351364 0.272096777168} H36 66 1 1 {} {0.52069322711 0.417871425478 0.552866365613} H37 67 1 1 {} {0.540659449496 0.299079630931 0.558393002534} H38 68 1 1 {} {0.599661661516 0.435822284675 0.648599557592} H39 69 1 1 {} {0.620089288438 0.358122031424 0.646725974319} H40 70 1 1 {} {0.622649960666 0.270929962649 0.270165932628} H41 71 1 1 {} {0.607586474606 0.22210235371 0.355664102137} 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