#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 {} {0.225475897037 0.524540773815 0.346983965751} C1 1 1 14 {} {0.277523695748 0.486720872354 0.305810616825} Si1 2 1 14 {} {0.180254422635 0.533907422461 0.266491067142} Si2 3 1 8 {} {0.293548932304 0.51567090598 0.207345178645} O1 4 1 8 {} {0.30846465843 0.517023896118 0.391045357219} O2 5 1 6 {} {0.280797574367 0.393677459488 0.300757068772} C2 6 1 6 {} {0.150665230516 0.453007032549 0.248898580228} C3 7 1 8 {} {0.206298307632 0.561271120754 0.17484084011} O3 8 1 8 {} {0.14528702771 0.593997397691 0.295931932337} O4 9 1 14 {} {0.362652921813 0.530634321072 0.382117015664} Si3 10 1 7 {} {0.391236396156 0.454417804597 0.396017157633} N1 11 1 14 {} {0.43864390531 0.462982170965 0.320759772725} Si4 12 1 14 {} {0.383053409766 0.412095768158 0.50190849341} Si5 13 1 7 {} {0.35898354044 0.456047124826 0.588551829484} N2 14 1 7 {} {0.43014810491 0.535265168539 0.261969442738} N3 15 1 1 {} {0.216685270584 0.495727527495 0.40680400777} H1 16 1 1 {} {0.237287637683 0.573648441587 0.370024399956} H2 17 1 1 {} {0.270200712456 0.541054013136 0.175909161612} H3 18 1 1 {} {0.275597984967 0.37067193968 0.366701173808} H4 19 1 1 {} {0.31281328612 0.375329113602 0.274220316103} H5 20 1 1 {} {0.254382520082 0.375626136362 0.255226188643} H6 21 1 1 {} {0.12414870786 0.459078365777 0.199016151589} H7 22 1 1 {} {0.135361002203 0.436402819072 0.311849873136} H8 23 1 1 {} {0.172997514459 0.41275592727 0.226271769103} H9 24 1 1 {} {0.187588468548 0.582981288828 0.130208461121} H10 25 1 1 {} {0.117643323066 0.578919166128 0.323580748404} H11 26 1 1 {} {0.368132438849 0.55567138222 0.272877032048} H12 27 1 1 {} {0.375537442766 0.585107880042 0.438576063476} H13 28 1 1 {} {0.479925673367 0.469480635297 0.374351988993} H14 29 1 1 {} {0.439018313251 0.393598042864 0.259366745534} H15 30 1 1 {} {0.352524507936 0.357711252262 0.487114549453} H16 31 1 1 {} {0.424569615134 0.388087933029 0.540831014534} H17 32 1 1 {} {0.32773205721 0.473812913248 0.586812594154} H18 33 1 1 {} {0.37476498824 0.48519153206 0.634258171798} H19 34 1 1 {} {0.440586756793 0.58288362935 0.297544404145} H20 35 1 1 {} {0.369551722885 0.617045043386 0.277439532891} H21 36 1 6 {} {0.663686281576 0.648772472455 0.465644940516} C4 37 1 14 {} {0.615163463388 0.578077499557 0.445262858586} Si6 38 1 14 {} {0.641311469892 0.733118053826 0.417234225496} Si7 39 1 8 {} {0.580057925366 0.59591641262 0.365706627047} O5 40 1 8 {} {0.639328140974 0.500690153934 0.4404490375} O6 41 1 6 {} {0.582751478374 0.574844302805 0.550827039081} C5 42 1 6 {} {0.586211410229 0.773245400892 0.46301412025} C6 43 1 8 {} {0.629961416943 0.721815743328 0.309457139593} O7 44 1 8 {} {0.678073384569 0.796434461392 0.423534889653} O8 45 1 14 {} {0.629031787865 0.422996767337 0.41392591637} Si8 46 1 7 {} {0.578863127197 0.378601442853 0.433842703316} N4 47 1 14 {} {0.557982866176 0.325503485564 0.345078225678} Si9 48 1 14 {} {0.555126557711 0.368333411455 0.540360499333} Si10 49 1 7 {} {0.592312023658 0.385078090488 0.62636763573} N5 50 1 7 {} {0.591466805647 0.261555952093 0.304303623599} N6 51 1 1 {} {0.661631246281 0.656918593277 0.539107951607} H22 52 1 1 {} {0.700231642765 0.65990280312 0.474496126423} H23 53 1 1 {} {0.589247394035 0.622405115953 0.30864960018} H24 54 1 1 {} {0.595618758333 0.615558076585 0.590312902136} H25 55 1 1 {} {0.576791793643 0.535589724995 0.605148109875} H26 56 1 1 {} {0.547522757729 0.57422171644 0.529864312536} H27 57 1 1 {} {0.583058017841 0.823448298463 0.433063848979} H28 58 1 1 {} {0.584823404035 0.782207133882 0.534985749902} H29 59 1 1 {} {0.553868487134 0.749945901697 0.446338151491} H30 60 1 1 {} {0.631400406307 0.756262492112 0.263703377252} H31 61 1 1 {} {0.680287887613 0.817861225134 0.480177042821} H32 62 1 1 {} {0.633864312273 0.414409758788 0.315780231165} H33 63 1 1 {} {0.664879313535 0.391922285574 0.465406503664} H34 64 1 1 {} {0.516248814423 0.291242204211 0.376299835716} H35 65 1 1 {} {0.548751465481 0.366959610489 0.264283244593} H36 66 1 1 {} {0.519513278548 0.41790683138 0.561573721251} H37 67 1 1 {} {0.536472698504 0.298706565758 0.549363467822} H38 68 1 1 {} {0.594923071907 0.432977011533 0.643998812112} H39 69 1 1 {} {0.620768325323 0.358769207829 0.642646296034} H40 70 1 1 {} {0.615820233344 0.271704803924 0.25921809162} H41 71 1 1 {} {0.600542475841 0.221355970212 0.341968412017} 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