#MD System 2.0 @Title neb0_image01 @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 {} {0.202626840283 0.529261451159 0.305303809252} C1 1 1 14 {} {0.256445092946 0.491865425203 0.263530511926} Si1 2 1 14 {} {0.155876047201 0.53755314803 0.224536649183} Si2 3 1 8 {} {0.268834964044 0.52434969846 0.165295126496} O1 4 1 8 {} {0.296709944236 0.511959861072 0.333971379341} O2 5 1 6 {} {0.254349928732 0.398700412433 0.256998110105} C2 6 1 6 {} {0.124171634214 0.458046264267 0.2069695658} C3 7 1 8 {} {0.180194930323 0.563183806586 0.129986648131} O3 8 1 8 {} {0.120704770796 0.598571541079 0.252567588847} O4 9 1 14 {} {0.348014934869 0.541325567231 0.339833826306} Si3 10 1 7 {} {0.382851982824 0.478761748288 0.381854659807} N1 11 1 14 {} {0.437248059692 0.476823718078 0.340923731436} Si4 12 1 14 {} {0.362383105101 0.424298814534 0.464235887398} Si5 13 1 7 {} {0.332967910498 0.46174100975 0.549645138978} N2 14 1 7 {} {0.459421450637 0.556345364695 0.347326129371} N3 15 1 1 {} {0.190913050193 0.500829716815 0.363817695959} H1 16 1 1 {} {0.210538342463 0.580150559982 0.329172728508} H2 17 1 1 {} {0.243535078119 0.545410847511 0.134862054389} H3 18 1 1 {} {0.24915409249 0.375570917383 0.322732463997} H4 19 1 1 {} {0.286059957206 0.379526433229 0.23029899282} H5 20 1 1 {} {0.227560000949 0.381800999539 0.212238926579} H6 21 1 1 {} {0.0977113967682 0.464504947843 0.156881208176} H7 22 1 1 {} {0.108540781926 0.440545946608 0.269166875471} H8 23 1 1 {} {0.146401572408 0.417998744456 0.18339245256} H9 24 1 1 {} {0.161662532599 0.586772271628 0.0872708011036} H10 25 1 1 {} {0.0921736781316 0.585947208777 0.277955252851} H11 26 1 1 {} {0.364501379469 0.561636260016 0.250267314961} H12 27 1 1 {} {0.34663709627 0.600096211217 0.400859916834} H13 28 1 1 {} {0.461019911285 0.424015333472 0.393016002772} H14 29 1 1 {} {0.43916243272 0.459566567783 0.244197997788} H15 30 1 1 {} {0.330972892991 0.375162626519 0.423647159667} H16 31 1 1 {} {0.401872660237 0.389888191874 0.503404426948} H17 32 1 1 {} {0.30137009782 0.478102517565 0.538305815491} H18 33 1 1 {} {0.348790886429 0.492605593505 0.593439740448} H19 34 1 1 {} {0.482143822006 0.571459481896 0.301017157294} H20 35 1 1 {} {0.465323286803 0.578795103304 0.40684810295} H21 36 1 6 {} {0.657709572211 0.637093185124 0.50703208518} C4 37 1 14 {} {0.618249818167 0.572965697735 0.45961081291} Si6 38 1 14 {} {0.655356978024 0.723621080162 0.461867978442} Si7 39 1 8 {} {0.616039812954 0.580995815356 0.349886349788} O5 40 1 8 {} {0.63837323116 0.49838351732 0.484092601684} O6 41 1 6 {} {0.561019708108 0.578824120747 0.508679952574} C5 42 1 6 {} {0.607678154897 0.774033850314 0.506555561241} C6 43 1 8 {} {0.652042866611 0.712301200125 0.351368122426} O7 44 1 8 {} {0.702710367622 0.765687927973 0.477497221357} O8 45 1 14 {} {0.648643557932 0.420431054535 0.456036315751} Si8 46 1 7 {} {0.603197049 0.36829991172 0.47375076882} N4 47 1 14 {} {0.583552466742 0.319158535451 0.385134992573} Si9 48 1 14 {} {0.578462374232 0.364322166288 0.580093899136} Si10 49 1 7 {} {0.613529458037 0.383359856692 0.667366313429} N5 50 1 7 {} {0.61837673594 0.256390441741 0.347608564347} N6 51 1 1 {} {0.653778552745 0.638570982715 0.580173015271} H22 52 1 1 {} {0.691801108277 0.618612292597 0.494217650145} H23 53 1 1 {} {0.628254555783 0.623257675865 0.327687209157} H24 54 1 1 {} {0.560840169135 0.569240140268 0.580891216202} H25 55 1 1 {} {0.538969858624 0.541753887063 0.477033289918} H26 56 1 1 {} {0.546414028818 0.628635999963 0.497404111036} H27 57 1 1 {} {0.606868597663 0.82449515333 0.47739077976} H28 58 1 1 {} {0.609909407306 0.779483193548 0.579524205616} H29 59 1 1 {} {0.575517187395 0.749940604705 0.49188742952} H30 60 1 1 {} {0.659443770543 0.74999919248 0.313430567055} H31 61 1 1 {} {0.703142468911 0.800136808133 0.522880590667} H32 62 1 1 {} {0.660115073228 0.415307073899 0.359224594846} H33 63 1 1 {} {0.687820163927 0.39970921427 0.510861747077} H34 64 1 1 {} {0.541700041204 0.287376245445 0.418021318306} H35 65 1 1 {} {0.57540162674 0.361902809417 0.305521469236} H36 66 1 1 {} {0.540975680902 0.413210645011 0.586565288979} H37 67 1 1 {} {0.561647511456 0.294633642123 0.591573735386} H38 68 1 1 {} {0.620071264808 0.432144401005 0.681527284653} H39 69 1 1 {} {0.640671192498 0.354558509124 0.680442342341} H40 70 1 1 {} {0.64279997066 0.267211313477 0.302958915848} H41 71 1 1 {} {0.627746933819 0.21808060977 0.388238038234} 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