#MD System 2.0 @Title neb0_image08 @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 {} {0.226055111819 0.524461808677 0.346061245239} C1 1 1 14 {} {0.278479903125 0.486722725213 0.304624750666} Si1 2 1 14 {} {0.180521758356 0.533744602168 0.266194089398} Si2 3 1 8 {} {0.293383152651 0.516476082537 0.206064723278} O1 4 1 8 {} {0.310354646104 0.513810737716 0.387210948288} O2 5 1 6 {} {0.280119723025 0.393642783841 0.299559715166} C2 6 1 6 {} {0.149999868123 0.45342507727 0.247919864899} C3 7 1 8 {} {0.20575303502 0.561358258029 0.173331217288} O3 8 1 8 {} {0.145055386042 0.593841779052 0.295456439888} O4 9 1 14 {} {0.363619708138 0.533118484578 0.379580022147} Si3 10 1 7 {} {0.39386768589 0.459743892426 0.404246139347} N1 11 1 14 {} {0.441820876187 0.467397169246 0.332371993837} Si4 12 1 14 {} {0.383690325624 0.414240020859 0.503298929022} Si5 13 1 7 {} {0.358507765272 0.457085826272 0.589197888119} N2 14 1 7 {} {0.432618769858 0.554563787987 0.289798665648} N3 15 1 1 {} {0.216293980404 0.495986647295 0.405773947546} H1 16 1 1 {} {0.236737277067 0.574297775878 0.369731735452} H2 17 1 1 {} {0.269526652782 0.540618881175 0.175528907301} H3 18 1 1 {} {0.274853510127 0.370531637282 0.365271493029} H4 19 1 1 {} {0.311989495978 0.374935191239 0.272978405582} H5 20 1 1 {} {0.253664248615 0.376277327356 0.254320955259} H6 21 1 1 {} {0.123484047241 0.45960836203 0.198070932631} H7 22 1 1 {} {0.134615522064 0.436676422958 0.310870169608} H8 23 1 1 {} {0.172246468766 0.413043687264 0.22519235283} H9 24 1 1 {} {0.187055750952 0.582758383752 0.129154962064} H10 25 1 1 {} {0.117295857713 0.579267071809 0.321673051932} H11 26 1 1 {} {0.368648193883 0.552559427893 0.283811091041} H12 27 1 1 {} {0.374297076255 0.588904599551 0.439375717871} H13 28 1 1 {} {0.482670405284 0.462413868868 0.388091374525} H14 29 1 1 {} {0.444989016517 0.407400622534 0.261731512399} H15 30 1 1 {} {0.352909959773 0.360557741339 0.479960905982} H16 31 1 1 {} {0.425486915494 0.387233080642 0.541662130775} H17 32 1 1 {} {0.326471509109 0.47372863135 0.582815902601} H18 33 1 1 {} {0.374787094798 0.486331931731 0.6344854297} H19 34 1 1 {} {0.461382552958 0.579260198109 0.314113100746} H20 35 1 1 {} {0.405047166933 0.587147021611 0.292948458029} H21 36 1 6 {} {0.657612259721 0.649761097341 0.466878193294} C4 37 1 14 {} {0.614182311683 0.579193250668 0.441640071675} Si6 38 1 14 {} {0.638274675132 0.733171313223 0.418299908629} Si7 39 1 8 {} {0.581827630834 0.593960229642 0.350764498578} O5 40 1 8 {} {0.632957504701 0.501076967384 0.44077101969} O6 41 1 6 {} {0.572527753946 0.580655055131 0.538988246869} C5 42 1 6 {} {0.585490386917 0.774579837392 0.463957031772} C6 43 1 8 {} {0.630002431642 0.719277758112 0.310127017185} O7 44 1 8 {} {0.678754120995 0.788333942876 0.427690333909} O8 45 1 14 {} {0.627848573512 0.422365978588 0.415182553464} Si8 46 1 7 {} {0.578231821505 0.376125290673 0.432087877223} N4 47 1 14 {} {0.55827259383 0.325372274064 0.346020179768} Si9 48 1 14 {} {0.554933308484 0.368578463201 0.541422206974} Si10 49 1 7 {} {0.591373769674 0.385809750418 0.626580257115} N5 50 1 7 {} {0.591868959384 0.261275223507 0.305366939611} N6 51 1 1 {} {0.651486419933 0.652229418731 0.539375114018} H22 52 1 1 {} {0.693818813207 0.648973151724 0.467892557616} H23 53 1 1 {} {0.592599945363 0.622776617917 0.302476558699} H24 54 1 1 {} {0.584160364969 0.609553631671 0.593897855568} H25 55 1 1 {} {0.568236120636 0.527915525777 0.568023864279} H26 56 1 1 {} {0.540687168956 0.592833231458 0.510667336172} H27 57 1 1 {} {0.583128519918 0.824952893465 0.434092224476} H28 58 1 1 {} {0.58513495724 0.782861772719 0.536322022027} H29 59 1 1 {} {0.553269972915 0.751155108494 0.447752715707} H30 60 1 1 {} {0.63234203144 0.755518784334 0.267365852103} H31 61 1 1 {} {0.679942683555 0.814407693319 0.482148787474} H32 62 1 1 {} {0.634455275898 0.415673759939 0.316501603991} H33 63 1 1 {} {0.664717537419 0.394745874297 0.467377483061} H34 64 1 1 {} {0.516579525727 0.291533113972 0.377198149828} H35 65 1 1 {} {0.549199928582 0.366770798228 0.265055111572} H36 66 1 1 {} {0.518448111203 0.417680483028 0.556842726577} H37 67 1 1 {} {0.536375040325 0.298761486566 0.549889296131} H38 68 1 1 {} {0.594751775291 0.434009055077 0.643405025137} H39 69 1 1 {} {0.61861010562 0.359254432446 0.641491399789} H40 70 1 1 {} {0.616383061053 0.271869501971 0.259736369377} H41 71 1 1 {} {0.600892015956 0.221118643958 0.344040400374} 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