#MD System 2.0 @Title neb0_image03 @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 {} {0.361959840865 0.556236465495 0.41326031971} C1 1 1 14 {} {0.338724862748 0.529692967911 0.523938916927} Si1 2 1 14 {} {0.423604724388 0.567046281671 0.408808852761} Si2 3 1 8 {} {0.351720434622 0.586349998977 0.599934610918} O1 4 1 8 {} {0.283472681346 0.527951053738 0.516981197388} O2 5 1 6 {} {0.357496081114 0.444421544295 0.558615892911} C2 6 1 6 {} {0.454709798329 0.486648049493 0.394225549051} C3 7 1 8 {} {0.436447963928 0.602071791692 0.507789106467} O3 8 1 8 {} {0.436412777086 0.618721878274 0.325729523245} O4 9 1 14 {} {0.233287886948 0.532448819918 0.558160541947} Si3 10 1 7 {} {0.213526644628 0.454245691252 0.59240832411} N1 11 1 14 {} {0.191080083473 0.445987169957 0.699903373047} Si4 12 1 14 {} {0.214100675869 0.386587820663 0.517297877367} Si5 13 1 7 {} {0.20799480583 0.40790553514 0.406908147782} N2 14 1 7 {} {0.140626270157 0.48506170424 0.719956186626} N3 15 1 1 {} {0.351902206506 0.5205069432 0.360935965111} H1 16 1 1 {} {0.346305857585 0.604590435203 0.396242070354} H2 17 1 1 {} {0.381613336834 0.604759597422 0.590337151586} H3 18 1 1 {} {0.34882512097 0.405809756672 0.509330928272} H4 19 1 1 {} {0.341806386917 0.430584040731 0.622354154842} H5 20 1 1 {} {0.393866916534 0.443175610929 0.568625270745} H6 21 1 1 {} {0.490756715728 0.496420625338 0.391102670346} H7 22 1 1 {} {0.445138347833 0.462427389923 0.331177297147} H8 23 1 1 {} {0.448539842268 0.451143798153 0.44881660476} H9 24 1 1 {} {0.467255563922 0.616431036202 0.513911348066} H10 25 1 1 {} {0.468445161858 0.62054394798 0.314524146993} H11 26 1 1 {} {0.231486934754 0.576600640087 0.638484930456} H12 27 1 1 {} {0.204323478651 0.560527891705 0.486582292889} H13 28 1 1 {} {0.184368878065 0.372917267797 0.714119187782} H14 29 1 1 {} {0.222618539246 0.475189970879 0.76586486011} H15 30 1 1 {} {0.257363066878 0.350064835236 0.523142747452} H16 31 1 1 {} {0.176501899622 0.341963092543 0.543908108708} H17 32 1 1 {} {0.235013008639 0.422453134518 0.370827072007} H18 33 1 1 {} {0.180002478538 0.431191537553 0.384711217771} H19 34 1 1 {} {0.139863545198 0.534668776688 0.735009973949} H20 35 1 1 {} {0.112605305502 0.471278062292 0.686457434711} H21 36 1 6 {} {0.62893498696 0.636440014214 0.349724661717} C4 37 1 14 {} {0.585931303423 0.573874687136 0.387100045083} Si6 38 1 14 {} {0.623275899907 0.724890337456 0.386224653177} Si7 39 1 8 {} {0.535779789538 0.60997606339 0.381690849773} O5 40 1 8 {} {0.586578885881 0.509470958842 0.320053267479} O6 41 1 6 {} {0.596847642178 0.541960325434 0.502064405878} C5 42 1 6 {} {0.641424521641 0.741936610616 0.503435923639} C6 43 1 8 {} {0.56841621438 0.739714134901 0.374704468244} O7 44 1 8 {} {0.651114793261 0.7741997663 0.316381942519} O8 45 1 14 {} {0.580198590207 0.448949874004 0.247083864501} Si8 46 1 7 {} {0.592672800618 0.370909609523 0.290046999317} N4 47 1 14 {} {0.549131181728 0.314698811257 0.313699932276} Si9 48 1 14 {} {0.647319373567 0.345598184613 0.315296871581} Si10 49 1 7 {} {0.688328897946 0.391760908726 0.264253495689} N5 50 1 7 {} {0.525144670143 0.271502786711 0.226689018916} N6 51 1 1 {} {0.662321393564 0.618059739233 0.368483066594} H22 52 1 1 {} {0.628164504529 0.637190437542 0.276054712972} H23 53 1 1 {} {0.538189661127 0.659053932569 0.376957994169} H24 54 1 1 {} {0.628959069368 0.515408400411 0.504758912246} H25 55 1 1 {} {0.570734983638 0.506434136374 0.522354322343} H26 56 1 1 {} {0.597765938517 0.582489844888 0.551621856472} H27 57 1 1 {} {0.6361730595 0.794702943478 0.521606208032} H28 58 1 1 {} {0.677015994198 0.730529277882 0.512799687703} H29 59 1 1 {} {0.622445538224 0.711380799054 0.551186234632} H30 60 1 1 {} {0.557972580855 0.785553384338 0.371824318861} H31 61 1 1 {} {0.668958078882 0.809950684285 0.341458678398} H32 62 1 1 {} {0.532548140906 0.447088278342 0.218365445545} H33 63 1 1 {} {0.609415723023 0.465098846534 0.169629199173} H34 64 1 1 {} {0.56904579017 0.263882576878 0.374771596344} H35 65 1 1 {} {0.512301274204 0.352596046206 0.356856751729} H36 66 1 1 {} {0.656548107188 0.351693862543 0.412906832019} H37 67 1 1 {} {0.651061485091 0.274159301052 0.287256800797} H38 68 1 1 {} {0.701562307799 0.432583107944 0.294545549994} H39 69 1 1 {} {0.691278163574 0.39474581823 0.196863694726} H40 70 1 1 {} {0.502988372825 0.294788405139 0.185704641345} H41 71 1 1 {} {0.542604488415 0.23603819477 0.192710877247} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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