#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 {} {0.225419185128 0.524849959236 0.344014625592} C1 1 1 14 {} {0.278566738278 0.487451456336 0.302571979928} Si1 2 1 14 {} {0.179645437535 0.533591236062 0.263897352649} Si2 3 1 8 {} {0.292468557714 0.517557716721 0.203398786874} O1 4 1 8 {} {0.313009813608 0.513721862791 0.380346774685} O2 5 1 6 {} {0.278761743775 0.393959809767 0.297036379436} C2 6 1 6 {} {0.148709397009 0.453645348921 0.245865168356} C3 7 1 8 {} {0.204510316125 0.561254054184 0.170734619098} O3 8 1 8 {} {0.144181951957 0.594039282054 0.293179790264} O4 9 1 14 {} {0.364851091899 0.533171291966 0.375985782404} Si3 10 1 7 {} {0.395725399794 0.463175339347 0.406684609935} N1 11 1 14 {} {0.443105618322 0.465923627887 0.339418420552} Si4 12 1 14 {} {0.383798992844 0.416270123065 0.500396181197} Si5 13 1 7 {} {0.357104843732 0.456530496994 0.58867152915} N2 14 1 7 {} {0.439089220031 0.552756619402 0.299206175524} N3 15 1 1 {} {0.215178537007 0.496309095252 0.403363997759} H1 16 1 1 {} {0.23534705899 0.574881307913 0.367972909078} H2 17 1 1 {} {0.267934218522 0.540929139389 0.173315968855} H3 18 1 1 {} {0.27341241035 0.3707812994 0.362740003134} H4 19 1 1 {} {0.310540879526 0.374956140658 0.270282749986} H5 20 1 1 {} {0.252065202003 0.377027688102 0.251799527974} H6 21 1 1 {} {0.122196229648 0.460126476668 0.196069934679} H7 22 1 1 {} {0.133184580947 0.436831543506 0.308428951359} H8 23 1 1 {} {0.170729396087 0.413218361375 0.22285115842} H9 24 1 1 {} {0.185706972138 0.582687018929 0.127011895878} H10 25 1 1 {} {0.116182994086 0.579836972353 0.318637687504} H11 26 1 1 {} {0.377112224302 0.554631675123 0.283618217839} H12 27 1 1 {} {0.37259411545 0.592386001674 0.438943641899} H13 28 1 1 {} {0.482939190829 0.453337619553 0.398711529432} H14 29 1 1 {} {0.449053348123 0.413011120369 0.259105874151} H15 30 1 1 {} {0.352343935541 0.363394643113 0.47410739413} H16 31 1 1 {} {0.424324809535 0.386600119694 0.541456273214} H17 32 1 1 {} {0.325624366161 0.474556917414 0.580629036432} H18 33 1 1 {} {0.372406676617 0.487408393935 0.632866316784} H19 34 1 1 {} {0.468132078189 0.572938171768 0.316017851184} H20 35 1 1 {} {0.410835618579 0.594267009655 0.329699397709} H21 36 1 6 {} {0.654727444753 0.644064513761 0.468763310208} C4 37 1 14 {} {0.611740364562 0.579785160791 0.43781476622} Si6 38 1 14 {} {0.638231493473 0.729577003588 0.422049054675} Si7 39 1 8 {} {0.584360840035 0.592414048212 0.343543435142} O5 40 1 8 {} {0.629412327102 0.50315221815 0.445437835581} O6 41 1 6 {} {0.568082572509 0.579302749244 0.529030253534} C5 42 1 6 {} {0.585619019648 0.775616044579 0.466182595558} C6 43 1 8 {} {0.629865948429 0.718871885089 0.312206785218} O7 44 1 8 {} {0.681176039384 0.784728032896 0.430871109523} O8 45 1 14 {} {0.627695273276 0.42344351953 0.416111981727} Si8 46 1 7 {} {0.579852681738 0.37513638954 0.435741306363} N4 47 1 14 {} {0.558987802387 0.324063394987 0.345852364034} Si9 48 1 14 {} {0.555856035101 0.367373879006 0.542754303262} Si10 49 1 7 {} {0.591508897413 0.385825400714 0.6274756655} N5 50 1 7 {} {0.593608641757 0.260373687902 0.307424048827} N6 51 1 1 {} {0.646753059678 0.6490726234 0.539867922567} H22 52 1 1 {} {0.69238708218 0.644752095468 0.46954263577} H23 53 1 1 {} {0.595719829033 0.622822417404 0.300199856993} H24 54 1 1 {} {0.577434411717 0.605016077906 0.593871560987} H25 55 1 1 {} {0.561317823542 0.527719718178 0.54117732584} H26 56 1 1 {} {0.537215036088 0.602435937824 0.497694372806} H27 57 1 1 {} {0.583478048442 0.826678261089 0.436886530666} H28 58 1 1 {} {0.586140069829 0.783288847368 0.539279526096} H29 59 1 1 {} {0.552894718095 0.752573869158 0.450742832688} H30 60 1 1 {} {0.63399808589 0.755125215507 0.269298527637} H31 61 1 1 {} {0.680691638515 0.812085337697 0.485694374807} H32 62 1 1 {} {0.635714404603 0.416328601838 0.319271160778} H33 63 1 1 {} {0.665530798482 0.397687256886 0.470805861533} H34 64 1 1 {} {0.51759117765 0.290699317769 0.379153364745} H35 65 1 1 {} {0.550828420521 0.365974462005 0.267722913575} H36 66 1 1 {} {0.519025420407 0.418144947517 0.557578737696} H37 67 1 1 {} {0.537332565037 0.298592455246 0.552655668161} H38 68 1 1 {} {0.596056489546 0.435072997103 0.644858157476} H39 69 1 1 {} {0.619412705004 0.358768982192 0.643712697586} H40 70 1 1 {} {0.617948784012 0.271548801122 0.262591878518} H41 71 1 1 {} {0.602688786067 0.221171841975 0.346904790126} 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