#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 {} {0.205075037801 0.528727040929 0.309831545829} C1 1 1 14 {} {0.259016711238 0.491756744281 0.268064709777} Si1 2 1 14 {} {0.158373897564 0.537210730118 0.228866182484} Si2 3 1 8 {} {0.271627241018 0.524863935649 0.170267436101} O1 4 1 8 {} {0.299018637791 0.511984037126 0.338979623983} O2 5 1 6 {} {0.257057386567 0.398569555254 0.261006966127} C2 6 1 6 {} {0.126850577388 0.457476816719 0.211099470816} C3 7 1 8 {} {0.182874620261 0.562980977144 0.134563676389} O3 8 1 8 {} {0.123048946455 0.598380202144 0.255769650677} O4 9 1 14 {} {0.350503550716 0.540935535133 0.344094511766} Si3 10 1 7 {} {0.385240717049 0.478030274757 0.385705454505} N1 11 1 14 {} {0.439648762795 0.476430468774 0.344816930362} Si4 12 1 14 {} {0.364869619794 0.423844007939 0.468515470484} Si5 13 1 7 {} {0.335715348916 0.461602416097 0.553916602531} N2 14 1 7 {} {0.461629135347 0.556140359937 0.351007742352} N3 15 1 1 {} {0.19348276344 0.50009981136 0.368313427003} H1 16 1 1 {} {0.212935271944 0.579550003769 0.334007659643} H2 17 1 1 {} {0.246096443521 0.544941877518 0.139474842356} H3 18 1 1 {} {0.251903402085 0.375565070562 0.326834476153} H4 19 1 1 {} {0.288771816928 0.379528031577 0.23424554606} H5 20 1 1 {} {0.230285621454 0.381449104388 0.216311170412} H6 21 1 1 {} {0.100336611101 0.463681474548 0.161036126961} H7 22 1 1 {} {0.111315871206 0.439737958126 0.273287192149} H8 23 1 1 {} {0.149269312554 0.417685032132 0.187477334535} H9 24 1 1 {} {0.164398111734 0.586127493641 0.0913604175452} H10 25 1 1 {} {0.0946681311116 0.585990593045 0.281847490406} H11 26 1 1 {} {0.366872998782 0.56090630394 0.254213391513} H12 27 1 1 {} {0.349351561885 0.599772083511 0.405132403747} H13 28 1 1 {} {0.463670708619 0.424050661302 0.397430969188} H14 29 1 1 {} {0.44177369372 0.459127634477 0.248065821067} H15 30 1 1 {} {0.333381201867 0.374669903483 0.428250825649} H16 31 1 1 {} {0.404323464489 0.389560052721 0.507807810667} H17 32 1 1 {} {0.30410376833 0.478101603169 0.542969204223} H18 33 1 1 {} {0.351714373649 0.492020016076 0.597906311184} H19 34 1 1 {} {0.484508039635 0.571119389958 0.305054416414} H20 35 1 1 {} {0.467450742971 0.578348863074 0.410890113083} H21 36 1 6 {} {0.655097977227 0.637089228168 0.502828293739} C4 37 1 14 {} {0.615608572597 0.573258409753 0.454943193203} Si6 38 1 14 {} {0.652733911198 0.723742241604 0.457998151532} Si7 39 1 8 {} {0.613304676668 0.581569514956 0.345300022635} O5 40 1 8 {} {0.635336355126 0.498524457854 0.479212059611} O6 41 1 6 {} {0.558528241609 0.579418721105 0.504054272417} C5 42 1 6 {} {0.605163146121 0.774219639389 0.502728005672} C6 43 1 8 {} {0.648419254375 0.713005560521 0.347513261427} O7 44 1 8 {} {0.700354601544 0.765138108375 0.473622759392} O8 45 1 14 {} {0.645918620363 0.42066120814 0.45130407926} Si8 46 1 7 {} {0.600617755156 0.368474972892 0.469500584664} N4 47 1 14 {} {0.581085470729 0.319211664711 0.380894234923} Si9 48 1 14 {} {0.575884813378 0.365131959366 0.575683626679} Si10 49 1 7 {} {0.611140608863 0.383913806934 0.662801189209} N5 50 1 7 {} {0.61605253328 0.256551227394 0.34358924221} N6 51 1 1 {} {0.650977909836 0.638648910236 0.575903151786} H22 52 1 1 {} {0.689174592967 0.618339597687 0.490380988552} H23 53 1 1 {} {0.625635900717 0.623902307728 0.323458994122} H24 54 1 1 {} {0.558665599431 0.569472399488 0.576202462477} H25 55 1 1 {} {0.536489965941 0.542449461183 0.472242120543} H26 56 1 1 {} {0.544087149703 0.629363648478 0.49315717411} H27 57 1 1 {} {0.604407583391 0.824646657076 0.473306616484} H28 58 1 1 {} {0.607214841372 0.779740667551 0.575667865372} H29 59 1 1 {} {0.573101176919 0.750056935661 0.487513907842} H30 60 1 1 {} {0.656472368971 0.750386438529 0.309558696635} H31 61 1 1 {} {0.700707650118 0.80016332488 0.518263491033} H32 62 1 1 {} {0.657464198133 0.41559058979 0.354564405944} H33 63 1 1 {} {0.685109537669 0.40027881576 0.506125087323} H34 64 1 1 {} {0.539276481613 0.2872825928 0.413785899013} H35 65 1 1 {} {0.57287444067 0.362118930308 0.301348381808} H36 66 1 1 {} {0.53872994229 0.414529784077 0.58218664146} H37 67 1 1 {} {0.558733036281 0.295707700544 0.587673201197} H38 68 1 1 {} {0.617706934367 0.432542843633 0.677844092435} H39 69 1 1 {} {0.638172340736 0.354796540645 0.676023339533} H40 70 1 1 {} {0.640665760548 0.267620985131 0.299374785279} H41 71 1 1 {} {0.625599804771 0.218787026872 0.384830921505} 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