#MD System 2.0 @Title neb0_image05 @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 {} {0.365412689747 0.56626456202 0.412646594121} C1 1 1 14 {} {0.342483861517 0.53980791801 0.523377390733} Si1 2 1 14 {} {0.426948838226 0.57616588264 0.408455167528} Si2 3 1 8 {} {0.355760843409 0.596365904593 0.599385099099} O1 4 1 8 {} {0.287279976705 0.538240660628 0.516067690676} O2 5 1 6 {} {0.361310646589 0.454410490205 0.557892855638} C2 6 1 6 {} {0.456823552666 0.494643619088 0.393586070187} C3 7 1 8 {} {0.440189583734 0.611180912274 0.507229982326} O3 8 1 8 {} {0.439455062543 0.627590922755 0.325059060173} O4 9 1 14 {} {0.237131675057 0.542698157109 0.557283912536} Si3 10 1 7 {} {0.217624912832 0.464402210696 0.591457762446} N1 11 1 14 {} {0.195251643469 0.456096400143 0.6989449939} Si4 12 1 14 {} {0.218133342365 0.396729444435 0.51631453008} Si5 13 1 7 {} {0.212015901052 0.417890718653 0.405866522476} N2 14 1 7 {} {0.144776800725 0.495073973876 0.719139458894} N3 15 1 1 {} {0.355668653692 0.530454824006 0.360253895301} H1 16 1 1 {} {0.3500918343 0.614719816359 0.395459606018} H2 17 1 1 {} {0.385623450553 0.614647547331 0.589403626794} H3 18 1 1 {} {0.352720741687 0.415823612516 0.508474717269} H4 19 1 1 {} {0.345630942913 0.44049846709 0.621606101028} H5 20 1 1 {} {0.397668477996 0.453294181845 0.567931934847} H6 21 1 1 {} {0.492931110411 0.503335181235 0.390861496491} H7 22 1 1 {} {0.447049239512 0.470402749827 0.330626240758} H8 23 1 1 {} {0.449991418453 0.459431427686 0.448199923466} H9 24 1 1 {} {0.471295338748 0.624052602955 0.513139522869} H10 25 1 1 {} {0.471050177801 0.626125813287 0.310009248671} H11 26 1 1 {} {0.235475970656 0.58687205322 0.637619609907} H12 27 1 1 {} {0.208177587635 0.570700271157 0.485654734853} H13 28 1 1 {} {0.188554695296 0.383018011879 0.713188375788} H14 29 1 1 {} {0.226771718475 0.485353680387 0.764921971067} H15 30 1 1 {} {0.261353003893 0.360071922964 0.522214608336} H16 31 1 1 {} {0.180462438918 0.352284542249 0.543009115} H17 32 1 1 {} {0.239053436647 0.432688365578 0.36996411246} H18 33 1 1 {} {0.18407703582 0.441471956288 0.383919237456} H19 34 1 1 {} {0.143970908026 0.544693179502 0.734080639947} H20 35 1 1 {} {0.116746319113 0.481266871824 0.685717615033} H21 36 1 6 {} {0.626213158881 0.626641138113 0.350397361523} C4 37 1 14 {} {0.582985676797 0.564664153257 0.388029055131} Si6 38 1 14 {} {0.620007696903 0.715060392581 0.386954338597} Si7 39 1 8 {} {0.534240014584 0.604654451985 0.383058374215} O5 40 1 8 {} {0.582187857332 0.500455525853 0.320593795271} O6 41 1 6 {} {0.593059512832 0.53210533666 0.502889267425} C5 42 1 6 {} {0.637614598258 0.731867651975 0.504389759787} C6 43 1 8 {} {0.565133152649 0.730215719538 0.375838641192} O7 44 1 8 {} {0.647129301486 0.76486784577 0.316843676559} O8 45 1 14 {} {0.576148612965 0.439337025764 0.248198182205} Si8 46 1 7 {} {0.588598938135 0.361313967019 0.291302114821} N4 47 1 14 {} {0.545101830591 0.304932691036 0.314569366973} Si9 48 1 14 {} {0.643293103748 0.335826015112 0.316269326288} Si10 49 1 7 {} {0.684248100633 0.381910452356 0.265039088011} N5 50 1 7 {} {0.521214671428 0.261672826512 0.227412719972} N6 51 1 1 {} {0.659848470337 0.608861154216 0.368171691721} H22 52 1 1 {} {0.624808622606 0.627245964688 0.276781860645} H23 53 1 1 {} {0.538708688553 0.653676685471 0.378914502911} H24 54 1 1 {} {0.62497133844 0.505102221533 0.506710749528} H25 55 1 1 {} {0.566604609174 0.496883051798 0.522399752486} H26 56 1 1 {} {0.59376945099 0.57256694826 0.552574645536} H27 57 1 1 {} {0.63223319926 0.784609857652 0.522551772908} H28 58 1 1 {} {0.673159622539 0.720390359846 0.514045457736} H29 59 1 1 {} {0.618477065711 0.701246288088 0.551868449246} H30 60 1 1 {} {0.553950256233 0.775620528647 0.372463227022} H31 61 1 1 {} {0.665115752757 0.800378912347 0.341943683383} H32 62 1 1 {} {0.528563816322 0.437120314212 0.219220042674} H33 63 1 1 {} {0.605374476896 0.455159650559 0.170666944964} H34 64 1 1 {} {0.564940300069 0.254015322625 0.375590114431} H35 65 1 1 {} {0.508181225546 0.342677655788 0.357666941187} H36 66 1 1 {} {0.652567219623 0.341803840841 0.413832296705} H37 67 1 1 {} {0.647084156817 0.26440732226 0.288130873858} H38 68 1 1 {} {0.697742684952 0.422543562046 0.295357182272} H39 69 1 1 {} {0.687251976695 0.384740489477 0.197714155406} H40 70 1 1 {} {0.498822618957 0.28455728841 0.186567335542} H41 71 1 1 {} {0.538606722316 0.226034802889 0.193631418722} 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