#MD System 2.0 @Title neb0_image02 @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 {} {0.205061794298 0.528745704526 0.309831652779} C1 1 1 14 {} {0.258993630703 0.491775558599 0.268118784517} Si1 2 1 14 {} {0.158364180151 0.537212126384 0.228850712439} Si2 3 1 8 {} {0.271608020692 0.524824828094 0.170270457364} O1 4 1 8 {} {0.299039851962 0.511970110418 0.338958185223} O2 5 1 6 {} {0.257050966661 0.398604965438 0.261011712123} C2 6 1 6 {} {0.12684298858 0.45746615484 0.211096380084} C3 7 1 8 {} {0.182867371362 0.562962755812 0.134565294752} O3 8 1 8 {} {0.123054195579 0.598372834672 0.255799531834} O4 9 1 14 {} {0.350533113682 0.540989531762 0.344114732437} Si3 10 1 7 {} {0.385258379591 0.478047782892 0.385690033374} N1 11 1 14 {} {0.439628856339 0.47641166854 0.344770866384} Si4 12 1 14 {} {0.364898347376 0.423865501917 0.46854295597} Si5 13 1 7 {} {0.335708553417 0.461579022259 0.553918044418} N2 14 1 7 {} {0.461611205382 0.556079370821 0.350987472828} N3 15 1 1 {} {0.193490902152 0.500099123866 0.368277731827} H1 16 1 1 {} {0.212951732551 0.579549895783 0.333981080345} H2 17 1 1 {} {0.24610951898 0.544947777318 0.139453677549} H3 18 1 1 {} {0.251906130624 0.375549550328 0.326800189629} H4 19 1 1 {} {0.288769075008 0.379502091601 0.234271690117} H5 20 1 1 {} {0.230291408376 0.381453457216 0.216336551045} H6 21 1 1 {} {0.100336383656 0.463697935257 0.161028917083} H7 22 1 1 {} {0.111310613512 0.439743353906 0.273302042485} H8 23 1 1 {} {0.149273363308 0.417678285549 0.187478204329} H9 24 1 1 {} {0.164392368741 0.586126950992 0.0913765120794} H10 25 1 1 {} {0.0946718119175 0.585981428679 0.281860144724} H11 26 1 1 {} {0.366864375148 0.560901233642 0.254280899841} H12 27 1 1 {} {0.349353961967 0.599736171738 0.405093388278} H13 28 1 1 {} {0.463664150942 0.424060222543 0.397403891155} H14 29 1 1 {} {0.441775463724 0.45912445503 0.248106188768} H15 30 1 1 {} {0.333389453266 0.374676721478 0.428252807526} H16 31 1 1 {} {0.404328023426 0.389549823725 0.507799553193} H17 32 1 1 {} {0.304109422465 0.478102183369 0.542977633116} H18 33 1 1 {} {0.351693277721 0.492018766609 0.597879860116} H19 34 1 1 {} {0.484509112635 0.57112402633 0.305109766528} H20 35 1 1 {} {0.467453620773 0.578360739828 0.410809375093} H21 36 1 6 {} {0.65509288965 0.637054244019 0.502795428916} C4 37 1 14 {} {0.615604665873 0.573253227052 0.454953590048} Si6 38 1 14 {} {0.652756991562 0.723757683542 0.458048928955} Si7 39 1 8 {} {0.613286214754 0.581576252745 0.345311962742} O5 40 1 8 {} {0.635358690424 0.498528379112 0.479228602723} O6 41 1 6 {} {0.558532442435 0.579410866588 0.504132558985} C5 42 1 6 {} {0.605167682424 0.774242690238 0.5027423466} C6 43 1 8 {} {0.648417458696 0.712988379823 0.347479059466} O7 44 1 8 {} {0.700325212012 0.765157460551 0.473613014154} O8 45 1 14 {} {0.64588317469 0.420651224527 0.451266261098} Si8 46 1 7 {} {0.600634975111 0.368532536638 0.469716656806} N4 47 1 14 {} {0.581129352307 0.31912762599 0.380847279787} Si9 48 1 14 {} {0.575821921277 0.365083333572 0.575294068332} Si10 49 1 7 {} {0.611209709418 0.383938492562 0.662902558047} N5 50 1 7 {} {0.616023720559 0.256577596392 0.343571087649} N6 51 1 1 {} {0.650984793465 0.638651539801 0.575895762983} H22 52 1 1 {} {0.689173661041 0.618373140639 0.490379010543} H23 53 1 1 {} {0.62563439973 0.62390608656 0.323444718002} H24 54 1 1 {} {0.5586518077 0.569492222524 0.57622728267} H25 55 1 1 {} {0.536524267018 0.542450719226 0.472275685799} H26 56 1 1 {} {0.54408442778 0.629355098449 0.493166522064} H27 57 1 1 {} {0.604402413672 0.824648449836 0.473292096113} H28 58 1 1 {} {0.607209543154 0.779746512484 0.575687426032} H29 59 1 1 {} {0.573097668463 0.750068442866 0.487516209326} H30 60 1 1 {} {0.65647689125 0.750396530331 0.309534895323} H31 61 1 1 {} {0.700705518085 0.800155092493 0.518238640582} H32 62 1 1 {} {0.657465654048 0.415596263252 0.354561758597} H33 63 1 1 {} {0.685123973321 0.400279491113 0.50616398206} H34 64 1 1 {} {0.539280468467 0.287308646173 0.41377320743} H35 65 1 1 {} {0.572869370588 0.36212866117 0.301336000327} H36 66 1 1 {} {0.53872841663 0.414518581921 0.582230478304} H37 67 1 1 {} {0.558745577908 0.295683178205 0.587702078553} H38 68 1 1 {} {0.61770108586 0.432563093328 0.677845958909} H39 69 1 1 {} {0.63817978141 0.354793500432 0.676051784553} H40 70 1 1 {} {0.640644744711 0.267623093632 0.299372886948} H41 71 1 1 {} {0.625582663091 0.218792488642 0.384801415512} 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