#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 {} {0.360044731075 0.551385117981 0.413707552903} C1 1 1 14 {} {0.336765942495 0.524824327106 0.524344516853} Si1 2 1 14 {} {0.421690657648 0.562162678093 0.409419148661} Si2 3 1 8 {} {0.349865740821 0.581570283512 0.600273339072} O1 4 1 8 {} {0.281733090596 0.523034278447 0.517141505022} O2 5 1 6 {} {0.355605979877 0.439598287053 0.5590414403} C2 6 1 6 {} {0.45285423349 0.481899198108 0.394797605248} C3 7 1 8 {} {0.434643320736 0.597117492795 0.50830898443} O3 8 1 8 {} {0.434778544182 0.613567476841 0.326408851157} O4 9 1 14 {} {0.231399476289 0.527693898657 0.558468092525} Si3 10 1 7 {} {0.211706078641 0.449557375545 0.592783764849} N1 11 1 14 {} {0.189310505224 0.441212712636 0.700295774562} Si4 12 1 14 {} {0.212169889752 0.38188289288 0.517690952425} Si5 13 1 7 {} {0.206112169899 0.40317829986 0.407265329458} N2 14 1 7 {} {0.138826442369 0.48020457825 0.72047816784} N3 15 1 1 {} {0.350084487256 0.515652841756 0.361355283116} H1 16 1 1 {} {0.344483563928 0.599748886474 0.396638233855} H2 17 1 1 {} {0.379777135643 0.599904270995 0.590775338748} H3 18 1 1 {} {0.34691510455 0.40102263579 0.509692145805} H4 19 1 1 {} {0.339880650618 0.425747405904 0.622711767788} H5 20 1 1 {} {0.391941200187 0.438334240605 0.569058362495} H6 21 1 1 {} {0.488949899799 0.491426940051 0.391748553498} H7 22 1 1 {} {0.443304787847 0.457568232144 0.331800421995} H8 23 1 1 {} {0.446655858687 0.4463506207 0.44929946146} H9 24 1 1 {} {0.465417015171 0.611640883009 0.514434533859} H10 25 1 1 {} {0.466795978684 0.615845399995 0.315223568207} H11 26 1 1 {} {0.22970322542 0.57188537644 0.638743701258} H12 27 1 1 {} {0.202469699886 0.555776216569 0.486881062037} H13 28 1 1 {} {0.182608965814 0.368127546561 0.714500851108} H14 29 1 1 {} {0.220814212309 0.470458630115 0.766321238492} H15 30 1 1 {} {0.255429345554 0.345273927645 0.52347097961} H16 31 1 1 {} {0.174543216135 0.337321497044 0.544322610637} H17 32 1 1 {} {0.233146768594 0.417770823044 0.371261496858} H18 33 1 1 {} {0.17813195226 0.426566981024 0.38506788378} H19 34 1 1 {} {0.138043064547 0.52984158791 0.73537753268} H20 35 1 1 {} {0.110795845131 0.466442349365 0.686929897002} H21 36 1 6 {} {0.630745964889 0.641161263926 0.349332019846} C4 37 1 14 {} {0.587634399622 0.578683913541 0.38665095898} Si6 38 1 14 {} {0.625102684461 0.729652458697 0.385823701636} Si7 39 1 8 {} {0.537437924456 0.614668422477 0.381100373508} O5 40 1 8 {} {0.588271969331 0.514258770163 0.319518538346} O6 41 1 6 {} {0.598629178238 0.546789827799 0.501615718484} C5 42 1 6 {} {0.643325732675 0.746707276735 0.502984803448} C6 43 1 8 {} {0.570261129763 0.744474118959 0.374386818717} O7 44 1 8 {} {0.652858555635 0.779055004365 0.315959387022} O8 45 1 14 {} {0.582074605276 0.453781155846 0.246520285031} Si8 46 1 7 {} {0.594575665317 0.375783321928 0.28960831268} N4 47 1 14 {} {0.5509765679 0.319488736221 0.313183402336} Si9 48 1 14 {} {0.649181840529 0.350495476407 0.314917585137} Si10 49 1 7 {} {0.690177003134 0.396775910563 0.263788539653} N5 50 1 7 {} {0.527085470811 0.276340382233 0.226242468} N6 51 1 1 {} {0.664152409833 0.622818034085 0.368084964448} H22 52 1 1 {} {0.62998641325 0.641980437975 0.275671013979} H23 53 1 1 {} {0.53992790207 0.663733036868 0.376540119521} H24 54 1 1 {} {0.630748729859 0.520231280712 0.504476455726} H25 55 1 1 {} {0.572527518459 0.511281786517 0.522026913883} H26 56 1 1 {} {0.59954707198 0.587365432034 0.551139162743} H27 57 1 1 {} {0.638074011334 0.799480689463 0.521181469912} H28 58 1 1 {} {0.678919221212 0.735293191418 0.512343465725} H29 59 1 1 {} {0.624341339767 0.716169260193 0.550754670414} H30 60 1 1 {} {0.559827025939 0.790327801611 0.371459436362} H31 61 1 1 {} {0.670795434681 0.814713049591 0.341041794624} H32 62 1 1 {} {0.534425883137 0.45181143685 0.217807910363} H33 63 1 1 {} {0.611316485624 0.469964311742 0.169081239834} H34 64 1 1 {} {0.570907504709 0.268712428633 0.374325148997} H35 65 1 1 {} {0.514140989386 0.357295006348 0.356463999587} H36 66 1 1 {} {0.658431681825 0.356595593144 0.412475441935} H37 67 1 1 {} {0.653026559678 0.279091331068 0.286856266141} H38 68 1 1 {} {0.703554810162 0.437448924873 0.294114777238} H39 69 1 1 {} {0.693191726172 0.399598119387 0.196478425483} H40 70 1 1 {} {0.504814514714 0.29949532846 0.185296975964} H41 71 1 1 {} {0.544527616924 0.240817562795 0.19225913888} 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