#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 {} {0.202491437732 0.529204191871 0.305651762435} C1 1 1 14 {} {0.256421521626 0.492207698149 0.263850162333} Si1 2 1 14 {} {0.155809486766 0.537671841677 0.22464596961} Si2 3 1 8 {} {0.269040338366 0.525342058342 0.166065575896} O1 4 1 8 {} {0.296440896131 0.512408943268 0.334757055973} O2 5 1 6 {} {0.254481714113 0.39903019913 0.256819008873} C2 6 1 6 {} {0.124271504605 0.457969497069 0.206922136898} C3 7 1 8 {} {0.18032329189 0.563449136851 0.130362463622} O3 8 1 8 {} {0.120486794456 0.59881275758 0.251620139635} O4 9 1 14 {} {0.347910921562 0.541415532199 0.339867719307} Si3 10 1 7 {} {0.382669362591 0.478517009858 0.381530777919} N1 11 1 14 {} {0.43710093805 0.476920582504 0.34070465098} Si4 12 1 14 {} {0.36228307657 0.424286794347 0.464293919996} Si5 13 1 7 {} {0.33313412546 0.462077207593 0.549707442017} N2 14 1 7 {} {0.459067902127 0.55663186159 0.346915740546} N3 15 1 1 {} {0.190896775171 0.500570077472 0.364122004813} H1 16 1 1 {} {0.210356146597 0.580027553453 0.329820475327} H2 17 1 1 {} {0.243506050433 0.545427595535 0.135280083148} H3 18 1 1 {} {0.249324441532 0.376030779117 0.322643554859} H4 19 1 1 {} {0.286194159733 0.379981119751 0.230064199601} H5 20 1 1 {} {0.227704641405 0.381919636494 0.212145346433} H6 21 1 1 {} {0.0977533036442 0.46416246824 0.156865490559} H7 22 1 1 {} {0.10873750853 0.440224144296 0.269110916774} H8 23 1 1 {} {0.146678935953 0.418165139565 0.183307363393} H9 24 1 1 {} {0.16182610084 0.586599849278 0.0871959704413} H10 25 1 1 {} {0.0920881522533 0.586457103782 0.277668902719} H11 26 1 1 {} {0.364290420132 0.561374734482 0.250043951325} H12 27 1 1 {} {0.346770214215 0.600221861808 0.400928887982} H13 28 1 1 {} {0.461082820752 0.424514627948 0.393251732663} H14 29 1 1 {} {0.439190129391 0.459616072008 0.243930580754} H15 30 1 1 {} {0.330789612986 0.375135929398 0.424060063813} H16 31 1 1 {} {0.401736908281 0.390034479637 0.503617940162} H17 32 1 1 {} {0.30151910791 0.478577122191 0.538801568129} H18 33 1 1 {} {0.349127890221 0.49249336485 0.593725549273} H19 34 1 1 {} {0.481925924382 0.571600945369 0.300894337289} H20 35 1 1 {} {0.4649251939 0.578826220978 0.406783281031} H21 36 1 6 {} {0.657676521439 0.636646803928 0.507016480863} C4 37 1 14 {} {0.618185202943 0.572813732362 0.459120831434} Si6 38 1 14 {} {0.655318774725 0.723277769494 0.462137496573} Si7 39 1 8 {} {0.615952098985 0.581067336368 0.349451103202} O5 40 1 8 {} {0.63792605503 0.498072240011 0.48343328903} O6 41 1 6 {} {0.561076890356 0.578929130638 0.508186570516} C5 42 1 6 {} {0.607745058869 0.77374733309 0.506893496111} C6 43 1 8 {} {0.651099706783 0.712509572451 0.351666510741} O7 44 1 8 {} {0.702901067137 0.764689363178 0.477815415743} O8 45 1 14 {} {0.648519678603 0.420195651928 0.455516105424} Si8 46 1 7 {} {0.603164963833 0.367999592211 0.473616635142} N4 47 1 14 {} {0.583599690051 0.318789617611 0.385112577104} Si9 48 1 14 {} {0.578507032933 0.364671775101 0.580067153143} Si10 49 1 7 {} {0.613691865772 0.383424341621 0.667075562808} N5 50 1 7 {} {0.618645105161 0.256107374581 0.347809077916} N6 51 1 1 {} {0.653564290864 0.638182533227 0.580096401506} H22 52 1 1 {} {0.691749287518 0.617882460809 0.494569681757} H23 53 1 1 {} {0.628220652818 0.623440676206 0.32761957453} H24 54 1 1 {} {0.561223425122 0.568987448939 0.580334478773} H25 55 1 1 {} {0.539001276651 0.54199546018 0.476396095824} H26 56 1 1 {} {0.546645101634 0.628880282401 0.497327466147} H27 57 1 1 {} {0.606985934866 0.824180454182 0.477488468564} H28 58 1 1 {} {0.609799115776 0.779263615417 0.579843904673} H29 59 1 1 {} {0.575679673034 0.749584703851 0.491699979865} H30 60 1 1 {} {0.659068837155 0.749932539406 0.313721447245} H31 61 1 1 {} {0.703289388033 0.799697468442 0.52245696198} H32 62 1 1 {} {0.660047093974 0.415114370012 0.358752045565} H33 63 1 1 {} {0.687702900855 0.399779251267 0.510319549253} H34 64 1 1 {} {0.541838168558 0.28679065141 0.417957223898} H35 65 1 1 {} {0.575449406779 0.361634595361 0.305510609423} H36 66 1 1 {} {0.541290862288 0.414050997324 0.586302860252} H37 67 1 1 {} {0.561305131241 0.295224022116 0.59179798853} H38 68 1 1 {} {0.620284905219 0.432039745187 0.681979979852} H39 69 1 1 {} {0.640728336076 0.35434796844 0.680170998987} H40 70 1 1 {} {0.643251393256 0.26715144162 0.303532905148} H41 71 1 1 {} {0.628185213665 0.21829450029 0.38903447087} 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