#MD System 2.0 @Title neb0_image06 @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 {} {0.21549917789 0.52680011951 0.326678318364} C1 1 1 14 {} {0.269440137529 0.489828604257 0.284904868153} Si1 2 1 14 {} {0.168803446082 0.53526467397 0.245690478496} Si2 3 1 8 {} {0.282030208414 0.52290819803 0.187084755396} O1 4 1 8 {} {0.309427182076 0.510148475435 0.355813190941} O2 5 1 6 {} {0.267480327364 0.396638857412 0.277870855875} C2 6 1 6 {} {0.137258680196 0.455563118167 0.227949472785} C3 7 1 8 {} {0.193319377412 0.561168804017 0.151466575747} O3 8 1 8 {} {0.133460837808 0.596363971388 0.272639489602} O4 9 1 14 {} {0.360912212653 0.539029117086 0.360941103383} Si3 10 1 7 {} {0.395505588526 0.476055781459 0.402694866079} N1 11 1 14 {} {0.449577693489 0.474113889431 0.36100953499} Si4 12 1 14 {} {0.375222732661 0.421932336799 0.485519484834} Si5 13 1 7 {} {0.346107501746 0.459712176033 0.570822226013} N2 14 1 7 {} {0.470589592416 0.554567273455 0.365633694328} N3 15 1 1 {} {0.203893300287 0.498190866521 0.385168175699} H1 16 1 1 {} {0.223344533136 0.57762984773 0.350868373285} H2 17 1 1 {} {0.256500005608 0.543026079801 0.156332978365} H3 18 1 1 {} {0.262318016727 0.373653658902 0.343706039168} H4 19 1 1 {} {0.299193418603 0.377604188362 0.251105313935} H5 20 1 1 {} {0.240698660041 0.379534788452 0.233182237586} H6 21 1 1 {} {0.110741422456 0.461769007783 0.177897409895} H7 22 1 1 {} {0.121729809371 0.437829943795 0.290148795862} H8 23 1 1 {} {0.159673201361 0.415772821552 0.204341260798} H9 24 1 1 {} {0.174811711737 0.584218477067 0.108222762354} H10 25 1 1 {} {0.105069345824 0.584057888226 0.29872047804} H11 26 1 1 {} {0.377271148748 0.558995334061 0.271099059259} H12 27 1 1 {} {0.35976932761 0.597846225209 0.421994953216} H13 28 1 1 {} {0.474089393076 0.422441303877 0.414156164693} H14 29 1 1 {} {0.452197515687 0.457003875359 0.264655775285} H15 30 1 1 {} {0.343791992378 0.372766929633 0.445109895471} H16 31 1 1 {} {0.414724017527 0.387670100839 0.524615616397} H17 32 1 1 {} {0.314515059415 0.476196349556 0.559822859942} H18 33 1 1 {} {0.362126742099 0.490101611309 0.614762862056} H19 34 1 1 {} {0.494632354309 0.569037239311 0.322029735153} H20 35 1 1 {} {0.476352833668 0.576531586469 0.425565706982} H21 36 1 6 {} {0.644800355862 0.639076423017 0.485947521574} C4 37 1 14 {} {0.605566505063 0.575307734358 0.438325951505} Si6 38 1 14 {} {0.642336772721 0.725641954044 0.44109567676} Si7 39 1 8 {} {0.602751268141 0.583516873747 0.328591579963} O5 40 1 8 {} {0.624948062108 0.500409449581 0.462315600141} O6 41 1 6 {} {0.549084020748 0.581841556311 0.488629829635} C5 42 1 6 {} {0.594754879071 0.776122315297 0.485834675147} C6 43 1 8 {} {0.638080318899 0.714872284137 0.330614479329} O7 44 1 8 {} {0.689921397347 0.767041200501 0.456811968767} O8 45 1 14 {} {0.635510291954 0.422557248189 0.434482787729} Si8 46 1 7 {} {0.590196010016 0.370348916848 0.452557993677} N4 47 1 14 {} {0.570687722545 0.321088516648 0.364095948042} Si9 48 1 14 {} {0.565435978453 0.36709065493 0.558962880509} Si10 49 1 7 {} {0.600718606924 0.385805066485 0.645773962387} N5 50 1 7 {} {0.6056529478 0.258410551083 0.326679500866} N6 51 1 1 {} {0.640556645315 0.640548760411 0.558989047652} H22 52 1 1 {} {0.67882109945 0.620288801015 0.473526151024} H23 53 1 1 {} {0.61520769983 0.6257777604 0.306640056769} H24 54 1 1 {} {0.548600451789 0.57156198882 0.560608239011} H25 55 1 1 {} {0.52795667579 0.543928073538 0.457004795742} H26 56 1 1 {} {0.533981856811 0.631042150654 0.476616531266} H27 57 1 1 {} {0.593990524492 0.826563030083 0.456441815496} H28 58 1 1 {} {0.596806649751 0.781645917346 0.558781445648} H29 59 1 1 {} {0.562681638558 0.751982240668 0.470656769228} H30 60 1 1 {} {0.646061645883 0.752301550765 0.292684575957} H31 61 1 1 {} {0.690296696247 0.802083324055 0.501413910423} H32 62 1 1 {} {0.647050671026 0.41752864255 0.337682893502} H33 63 1 1 {} {0.674696588459 0.402239082898 0.489250611684} H34 64 1 1 {} {0.528879741632 0.289197403075 0.396953851503} H35 65 1 1 {} {0.562465929656 0.36402624155 0.284561785788} H36 66 1 1 {} {0.528303188137 0.416506003843 0.565497928873} H37 67 1 1 {} {0.548301903586 0.297606296778 0.570858419474} H38 68 1 1 {} {0.607289670858 0.43441453728 0.661031097338} H39 69 1 1 {} {0.627765569555 0.356712703205 0.659190342179} H40 70 1 1 {} {0.63025775725 0.269548941914 0.282508412717} H41 71 1 1 {} {0.615181616383 0.220695241256 0.367963709153} 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