#MD System 2.0 @Title neb0_image04 @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 {} {0.210821040236 0.527725350287 0.318500106757} C1 1 1 14 {} {0.264565249391 0.490294479033 0.276888017153} Si1 2 1 14 {} {0.164119377487 0.536057439148 0.237832560031} Si2 3 1 8 {} {0.276783212317 0.521668207016 0.177922526512} O1 4 1 8 {} {0.304350627045 0.511605207096 0.347617488223} O2 5 1 6 {} {0.262576848518 0.397133610698 0.270589343927} C2 6 1 6 {} {0.13248869904 0.456474387634 0.22032848771} C3 7 1 8 {} {0.188384925529 0.562300342326 0.143510208435} O3 8 1 8 {} {0.128751118028 0.596793003076 0.266090639188} O4 9 1 14 {} {0.35579670012 0.540208765836 0.353285399359} Si3 10 1 7 {} {0.390103374881 0.476715911796 0.394565847108} N1 11 1 14 {} {0.443686600134 0.474477180462 0.350289909913} Si4 12 1 14 {} {0.370318214151 0.422609838659 0.477638948676} Si5 13 1 7 {} {0.341074563172 0.460258953589 0.563247205132} N2 14 1 7 {} {0.462387303653 0.556328572922 0.350955644381} N3 15 1 1 {} {0.199199573149 0.499292639769 0.377026570682} H1 16 1 1 {} {0.218882040763 0.578531828129 0.342396289065} H2 17 1 1 {} {0.251693020409 0.543700214188 0.148005833686} H3 18 1 1 {} {0.257276990904 0.373826151011 0.336165467508} H4 19 1 1 {} {0.294264869618 0.377891243929 0.243829022275} H5 20 1 1 {} {0.235832078703 0.380380403692 0.225618160206} H6 21 1 1 {} {0.106019316615 0.463001929773 0.17025154867} H7 22 1 1 {} {0.116845783068 0.439099956991 0.282557709355} H8 23 1 1 {} {0.154653839142 0.416339946689 0.196812336197} H9 24 1 1 {} {0.16973048886 0.585440573216 0.100576925827} H10 25 1 1 {} {0.100317642871 0.583955716015 0.291567325637} H11 26 1 1 {} {0.372341036267 0.560240722079 0.263880321574} H12 27 1 1 {} {0.354873407526 0.598833164571 0.414783799458} H13 28 1 1 {} {0.469206495061 0.424913862287 0.404486859383} H14 29 1 1 {} {0.44620429195 0.454334438842 0.254519513281} H15 30 1 1 {} {0.338957600737 0.373242063139 0.437498383103} H16 31 1 1 {} {0.410025256265 0.38846298484 0.516568683615} H17 32 1 1 {} {0.309515335594 0.476770577072 0.551862728364} H18 33 1 1 {} {0.356895879299 0.491136633517 0.60696323378} H19 34 1 1 {} {0.489141772769 0.56793466714 0.312116356567} H20 35 1 1 {} {0.466061905322 0.57867939397 0.411354972081} H21 36 1 6 {} {0.65113729831 0.638985178212 0.493607970236} C4 37 1 14 {} {0.611696990392 0.575002284824 0.448263822558} Si6 38 1 14 {} {0.647499429085 0.725336415141 0.448413588161} Si7 39 1 8 {} {0.605909242897 0.583432162868 0.338943313641} O5 40 1 8 {} {0.631198616457 0.500054047812 0.470574989002} O6 41 1 6 {} {0.556047724897 0.58065268843 0.502088991659} C5 42 1 6 {} {0.599578304326 0.77550295739 0.493032883248} C6 43 1 8 {} {0.643784658318 0.713801556172 0.337950263251} O7 44 1 8 {} {0.69474434136 0.767553185817 0.463964091658} O8 45 1 14 {} {0.640662584222 0.421730925623 0.442809039435} Si8 46 1 7 {} {0.594958336093 0.369961024563 0.460338308351} N4 47 1 14 {} {0.575442897357 0.32072487702 0.371736854395} Si9 48 1 14 {} {0.570313709009 0.365934867848 0.56709353832} Si10 49 1 7 {} {0.605487068454 0.384923739051 0.653864036292} N5 50 1 7 {} {0.610221897728 0.257828924412 0.334001442143} N6 51 1 1 {} {0.646245550366 0.640062826762 0.566561847915} H22 52 1 1 {} {0.685406248732 0.621194118943 0.481498028179} H23 53 1 1 {} {0.619332178871 0.624230283223 0.314782760967} H24 54 1 1 {} {0.555940025161 0.573209220136 0.57441205615} H25 55 1 1 {} {0.536513498885 0.540475128518 0.471324784783} H26 56 1 1 {} {0.539761647077 0.628964371642 0.486981838479} H27 57 1 1 {} {0.59878503645 0.825940819274 0.463814519526} H28 58 1 1 {} {0.601712720984 0.781090894195 0.566010402758} H29 59 1 1 {} {0.567359459952 0.751570190407 0.478295727634} H30 60 1 1 {} {0.650991908666 0.751437372643 0.299741681576} H31 61 1 1 {} {0.695084996869 0.801866736701 0.509480994664} H32 62 1 1 {} {0.651948161122 0.416827151002 0.345863385299} H33 63 1 1 {} {0.679765817729 0.401122331725 0.497652616096} H34 64 1 1 {} {0.533619420096 0.288720374816 0.404474693372} H35 65 1 1 {} {0.567169973179 0.363456958744 0.292007751857} H36 66 1 1 {} {0.532880797826 0.414834948202 0.574008926038} H37 67 1 1 {} {0.553490301824 0.296262867348 0.578412935823} H38 68 1 1 {} {0.61200784573 0.433774083369 0.668378193584} H39 69 1 1 {} {0.632683870863 0.356050333998 0.667260509884} H40 70 1 1 {} {0.634700001055 0.268616026743 0.289483235199} H41 71 1 1 {} {0.619448746153 0.219510651052 0.374573758428} 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