#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 {} {0.221047909073 0.525781300346 0.335667929319} C1 1 1 14 {} {0.274984215012 0.488814376733 0.293891443745} Si1 2 1 14 {} {0.174386620529 0.534259683203 0.254687405934} Si2 3 1 8 {} {0.287543139294 0.521817515836 0.195995407701} O1 4 1 8 {} {0.314803824901 0.509233608117 0.364816460682} O2 5 1 6 {} {0.273008825969 0.395596619686 0.286848120761} C2 6 1 6 {} {0.142804803198 0.454564858809 0.236926314792} C3 7 1 8 {} {0.198865586854 0.560244861899 0.160426037957} O3 8 1 8 {} {0.138993306846 0.595330235532 0.281650024018} O4 9 1 14 {} {0.366283967746 0.538171491629 0.369647806158} Si3 10 1 7 {} {0.400296515395 0.474532718393 0.411768553307} N1 11 1 14 {} {0.454104511237 0.472730015429 0.367814154137} Si4 12 1 14 {} {0.380563453382 0.420547620644 0.49476775731} Si5 13 1 7 {} {0.351570064438 0.458655033909 0.580101207527} N2 14 1 7 {} {0.471460299644 0.554739810701 0.366964970836} N3 15 1 1 {} {0.209427884247 0.497173507574 0.394147482024} H1 16 1 1 {} {0.228899808945 0.576623914845 0.35982206769} H2 17 1 1 {} {0.262041688816 0.54200230951 0.165272759224} H3 18 1 1 {} {0.267841478082 0.372601229578 0.352683948081} H4 19 1 1 {} {0.304725614562 0.376551711216 0.260079179042} H5 20 1 1 {} {0.246228369403 0.37852764122 0.242135442308} H6 21 1 1 {} {0.116287679388 0.460771283282 0.186874368597} H7 22 1 1 {} {0.127262824566 0.436838976452 0.299118745029} H8 23 1 1 {} {0.165194569382 0.414738715123 0.213319871721} H9 24 1 1 {} {0.180322730519 0.58321854498 0.117178426722} H10 25 1 1 {} {0.110608591242 0.582980451738 0.307714507354} H11 26 1 1 {} {0.382693282036 0.557920748692 0.279955400517} H12 27 1 1 {} {0.365348041331 0.596814566715 0.431005594134} H13 28 1 1 {} {0.479558684443 0.422513243134 0.422227963165} H14 29 1 1 {} {0.457486386871 0.4541657059 0.271302909726} H15 30 1 1 {} {0.349295324836 0.371632254944 0.454169975667} H16 31 1 1 {} {0.420286289285 0.386688255057 0.533494194007} H17 32 1 1 {} {0.319973712326 0.475218869352 0.568761400815} H18 33 1 1 {} {0.367660633576 0.489176562833 0.623902621112} H19 34 1 1 {} {0.498312236475 0.567085220206 0.329581718207} H20 35 1 1 {} {0.475304259295 0.576526983289 0.428031919644} H21 36 1 6 {} {0.640442992033 0.640756968391 0.477013524549} C4 37 1 14 {} {0.601752597583 0.577053159026 0.430498989186} Si6 38 1 14 {} {0.636935973537 0.726917420029 0.4319904979} Si7 39 1 8 {} {0.596775098086 0.584795287754 0.321045400241} O5 40 1 8 {} {0.61970756634 0.501237573035 0.453209038585} O6 41 1 6 {} {0.54634814375 0.583939121173 0.485049480181} C5 42 1 6 {} {0.589243140708 0.777090831005 0.476836641986} C6 43 1 8 {} {0.632572454985 0.715838910103 0.321634550838} O7 44 1 8 {} {0.684476795828 0.768239649486 0.447724212135} O8 45 1 14 {} {0.630058205636 0.423292270177 0.425435534416} Si8 46 1 7 {} {0.584619095902 0.371374496315 0.443636247386} N4 47 1 14 {} {0.565088488297 0.322114205943 0.355061935864} Si9 48 1 14 {} {0.559982588827 0.36796912351 0.550209325454} Si10 49 1 7 {} {0.595368558054 0.386818816986 0.6368522678} N5 50 1 7 {} {0.600019034109 0.259335218578 0.317550767336} N6 51 1 1 {} {0.635086235106 0.641472660929 0.549721528262} H22 52 1 1 {} {0.674237604572 0.621746136774 0.464677907802} H23 53 1 1 {} {0.609396283236 0.626539591557 0.297862705295} H24 54 1 1 {} {0.544813895209 0.573943388537 0.556861846534} H25 55 1 1 {} {0.528581201111 0.542675943969 0.453402722667} H26 56 1 1 {} {0.529511149419 0.631306631454 0.469048685574} H27 57 1 1 {} {0.588473449227 0.827539244023 0.447453196732} H28 58 1 1 {} {0.591273181128 0.782671017258 0.549777612997} H29 59 1 1 {} {0.557147925926 0.753024379234 0.461681477152} H30 60 1 1 {} {0.640499137802 0.753273806095 0.283684447514} H31 61 1 1 {} {0.684772103351 0.803181266137 0.49243901003} H32 62 1 1 {} {0.641504026716 0.418557938792 0.328780600232} H33 63 1 1 {} {0.669211713065 0.403257692948 0.480366698465} H34 64 1 1 {} {0.523361687597 0.290204070141 0.388024996328} H35 65 1 1 {} {0.556925754027 0.365005486881 0.27575321235} H36 66 1 1 {} {0.522917249044 0.417503814907 0.557144853624} H37 67 1 1 {} {0.542753294928 0.298610821678 0.561874699276} H38 68 1 1 {} {0.601713458398 0.435317503179 0.652055114491} H39 69 1 1 {} {0.622234947239 0.357751282927 0.650268634282} H40 70 1 1 {} {0.62474639482 0.270573157992 0.273451549018} H41 71 1 1 {} {0.60964929741 0.221583617166 0.35897412342} 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