#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 {} {0.212885036058 0.527299439463 0.322469594444} C1 1 1 14 {} {0.266821305203 0.490309178418 0.280722982789} Si1 2 1 14 {} {0.166215443012 0.535749073051 0.241464151215} Si2 3 1 8 {} {0.279415290008 0.523347552421 0.182882959941} O1 4 1 8 {} {0.306798427108 0.510590561325 0.351601623564} O2 5 1 6 {} {0.264858876253 0.39713240404 0.273626156686} C2 6 1 6 {} {0.134664265321 0.456041484873 0.223751932114} C3 7 1 8 {} {0.190674935925 0.561624684143 0.147234379922} O3 8 1 8 {} {0.13086980339 0.596817670206 0.268428060024} O4 9 1 14 {} {0.35830660903 0.539480266841 0.356768027137} Si3 10 1 7 {} {0.392984761786 0.476575663585 0.398408472877} N1 11 1 14 {} {0.447024645836 0.474753532805 0.356892667919} Si4 12 1 14 {} {0.372618282652 0.422450226798 0.481279001856} Si5 13 1 7 {} {0.343510114577 0.460176987262 0.566571652166} N2 14 1 7 {} {0.468350080263 0.554818620483 0.361979605133} N3 15 1 1 {} {0.201296634867 0.498661124636 0.380923612345} H1 16 1 1 {} {0.220756146087 0.578112582913 0.346631491174} H2 17 1 1 {} {0.253920783777 0.543498789847 0.152101042032} H3 18 1 1 {} {0.259714111156 0.374116622718 0.339441497478} H4 19 1 1 {} {0.296579254177 0.378059580071 0.246905354177} H5 20 1 1 {} {0.238087993159 0.380007609389 0.228960686353} H6 21 1 1 {} {0.108151765592 0.462257895664 0.173688938937} H7 22 1 1 {} {0.11912655975 0.438305891795 0.285946464547} H8 23 1 1 {} {0.157073416151 0.416243304854 0.200123858182} H9 24 1 1 {} {0.172190484399 0.584709975694 0.103985425982} H10 25 1 1 {} {0.102477036888 0.584524999916 0.294508136164} H11 26 1 1 {} {0.374662289813 0.559467507619 0.266933284481} H12 27 1 1 {} {0.357158849575 0.598299425424 0.417735969053} H13 28 1 1 {} {0.471501425072 0.422837234309 0.409989575685} H14 29 1 1 {} {0.449604318645 0.457563769347 0.260629201172} H15 30 1 1 {} {0.341187224165 0.373233055407 0.4408690795} H16 31 1 1 {} {0.412131860008 0.388124269315 0.520395228234} H17 32 1 1 {} {0.311925042252 0.476673829631 0.55561380604} H18 33 1 1 {} {0.359514667056 0.490581077321 0.610523628499} H19 34 1 1 {} {0.492152147518 0.569580770299 0.317907836547} H20 35 1 1 {} {0.474258704105 0.576948420873 0.421776139508} H21 36 1 6 {} {0.647355307176 0.638565275104 0.490118645714} C4 37 1 14 {} {0.608024018532 0.574833706103 0.442619671068} Si6 38 1 14 {} {0.644964528887 0.725222845693 0.445355402106} Si7 39 1 8 {} {0.605335439056 0.583035582566 0.332757196551} O5 40 1 8 {} {0.627520116548 0.499965145991 0.466575278465} O6 41 1 6 {} {0.551457606846 0.581157741364 0.492642717643} C5 42 1 6 {} {0.597374288689 0.775663446092 0.490074223873} C6 43 1 8 {} {0.640603550625 0.714419162405 0.334831165843} O7 44 1 8 {} {0.692561641343 0.766565394026 0.460995685343} O8 45 1 14 {} {0.638058001168 0.422078415609 0.438605586961} Si8 46 1 7 {} {0.592845430442 0.369998329322 0.457148772605} N4 47 1 14 {} {0.573330093292 0.320461750019 0.368274789519} Si9 48 1 14 {} {0.567898103811 0.366563351664 0.562583927111} Si10 49 1 7 {} {0.603412169708 0.385358904333 0.650208833779} N5 50 1 7 {} {0.608195156833 0.257997991993 0.330897213154} N6 51 1 1 {} {0.643177402911 0.640070469068 0.563201978866} H22 52 1 1 {} {0.681396182866 0.619820828929 0.477728342223} H23 53 1 1 {} {0.617823449226 0.625324062015 0.310831184529} H24 54 1 1 {} {0.551090811439 0.571053629789 0.56444900655} H25 55 1 1 {} {0.530109730149 0.543639390558 0.460817120422} H26 56 1 1 {} {0.536507857486 0.630674557792 0.480752116525} H27 57 1 1 {} {0.596597874796 0.82607938892 0.460646749036} H28 58 1 1 {} {0.599412262103 0.781172703837 0.563021920376} H29 59 1 1 {} {0.565295356292 0.751513801473 0.474871541564} H30 60 1 1 {} {0.648667959907 0.751814423354 0.296895500289} H31 61 1 1 {} {0.692910723762 0.80158128773 0.505595052347} H32 62 1 1 {} {0.649666774894 0.417061315021 0.341920527505} H33 63 1 1 {} {0.677316288766 0.401756625884 0.493513208145} H34 64 1 1 {} {0.531472693097 0.288724527374 0.401145696379} H35 65 1 1 {} {0.56506051802 0.363553798841 0.288730863436} H36 66 1 1 {} {0.530934801215 0.415973809592 0.569687629233} H37 67 1 1 {} {0.550937102154 0.297122507339 0.575072989801} H38 68 1 1 {} {0.609900796196 0.433989531025 0.665234960536} H39 69 1 1 {} {0.630390673018 0.356218547544 0.663436112032} H40 70 1 1 {} {0.632837899841 0.269061055884 0.286746355173} H41 71 1 1 {} {0.617766651907 0.220234559472 0.372148663225} 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