#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 {} {0.220637733621 0.525849980563 0.335054560407} C1 1 1 14 {} {0.27459952498 0.488860574772 0.293215239306} Si1 2 1 14 {} {0.173952773278 0.534357003284 0.254058731992} Si2 3 1 8 {} {0.287198350504 0.522064339051 0.195439998855} O1 4 1 8 {} {0.314549987031 0.509179065848 0.364179525482} O2 5 1 6 {} {0.272609182834 0.395681027503 0.286174390633} C2 6 1 6 {} {0.142410019692 0.454636465255 0.236298896827} C3 7 1 8 {} {0.19844493486 0.560183405904 0.159758928245} O3 8 1 8 {} {0.138593794831 0.595497279872 0.280915201176} O4 9 1 14 {} {0.366026469713 0.53798467378 0.369293941909} Si3 10 1 7 {} {0.400899106379 0.475179613239 0.410801576469} N1 11 1 14 {} {0.454696813521 0.473390272645 0.369518181448} Si4 12 1 14 {} {0.380300183774 0.421080666673 0.493958022614} Si5 13 1 7 {} {0.351307452271 0.45871849982 0.579038734908} N2 14 1 7 {} {0.475482895767 0.552836181136 0.374039728456} N3 15 1 1 {} {0.209033889544 0.497245115313 0.393530958815} H1 16 1 1 {} {0.228468512988 0.576674591586 0.35923226064} H2 17 1 1 {} {0.261636999415 0.54207061369 0.164700571763} H3 18 1 1 {} {0.267458678656 0.372733978636 0.35205489923} H4 19 1 1 {} {0.304337746459 0.376689248574 0.259394495504} H5 20 1 1 {} {0.24584018323 0.37857977017 0.241478306715} H6 21 1 1 {} {0.115893090891 0.460802076914 0.186239024882} H7 22 1 1 {} {0.126879818196 0.43687142642 0.298467016806} H8 23 1 1 {} {0.16482288882 0.414833422513 0.212665200611} H9 24 1 1 {} {0.179967630805 0.583263065231 0.116539076007} H10 25 1 1 {} {0.110224925745 0.583146627708 0.307011009796} H11 26 1 1 {} {0.382430749844 0.558049655704 0.279347700852} H12 27 1 1 {} {0.364905550844 0.596929720262 0.430328368724} H13 28 1 1 {} {0.479264818574 0.421332833824 0.422627973183} H14 29 1 1 {} {0.457366827011 0.456269342782 0.273274024567} H15 30 1 1 {} {0.348917950476 0.371783066608 0.453411285723} H16 31 1 1 {} {0.419880503608 0.38670978536 0.532972897098} H17 32 1 1 {} {0.31967400391 0.475246319024 0.568156118765} H18 33 1 1 {} {0.367285304953 0.489139409763 0.623089008904} H19 34 1 1 {} {0.500010622722 0.568386784509 0.330095811808} H20 35 1 1 {} {0.481808560654 0.575908424051 0.434912942859} H21 36 1 6 {} {0.639586562568 0.639949360573 0.477586832513} C4 37 1 14 {} {0.600152086055 0.576179378901 0.430219273415} Si6 38 1 14 {} {0.637210245145 0.726619510718 0.43283303334} Si7 39 1 8 {} {0.597684426774 0.584372605761 0.320032519734} O5 40 1 8 {} {0.619720231693 0.501492492923 0.45399686284} O6 41 1 6 {} {0.544292311938 0.582487994742 0.480795320456} C5 42 1 6 {} {0.589613700577 0.777067695301 0.477497103525} C6 43 1 8 {} {0.632865854403 0.715839704515 0.322315420656} O7 44 1 8 {} {0.684809799882 0.767954094763 0.448459322559} O8 45 1 14 {} {0.630326740907 0.423366691369 0.426047473854} Si8 46 1 7 {} {0.585065189412 0.371452034971 0.444551152345} N4 47 1 14 {} {0.565586243892 0.3218268759 0.355623630824} Si9 48 1 14 {} {0.560236773148 0.367980091322 0.550251576351} Si10 49 1 7 {} {0.595676826128 0.386799510403 0.637788737436} N5 50 1 7 {} {0.600450967033 0.259484156035 0.318444119311} N6 51 1 1 {} {0.635402078121 0.641498036215 0.55072009662} H22 52 1 1 {} {0.673618850397 0.621171158087 0.465200285744} H23 53 1 1 {} {0.610099069872 0.626814904628 0.29825273264} H24 54 1 1 {} {0.543285848442 0.572430736886 0.551126377072} H25 55 1 1 {} {0.52256743728 0.544888788472 0.448390752202} H26 56 1 1 {} {0.528627661195 0.632326672706 0.468022401876} H27 57 1 1 {} {0.588856980621 0.827490063658 0.448135724159} H28 58 1 1 {} {0.591669052857 0.782580629923 0.550449087115} H29 59 1 1 {} {0.55753832184 0.752896035832 0.462313946704} H30 60 1 1 {} {0.640913927912 0.75325352316 0.284376337058} H31 61 1 1 {} {0.685156897145 0.803014160059 0.493084329236} H32 62 1 1 {} {0.641918109355 0.41846334044 0.329386869043} H33 63 1 1 {} {0.669555111619 0.403144157994 0.480923771533} H34 64 1 1 {} {0.52370302445 0.290111379729 0.388620832537} H35 65 1 1 {} {0.557308278608 0.365000445117 0.27614023141} H36 66 1 1 {} {0.523233843521 0.417390340714 0.55706090178} H37 67 1 1 {} {0.543164481638 0.298615583301 0.562492959997} H38 68 1 1 {} {0.602153498572 0.435384396302 0.65268029402} H39 69 1 1 {} {0.622609082156 0.357644464008 0.650813606729} H40 70 1 1 {} {0.625133362808 0.270477039632 0.274226836391} H41 71 1 1 {} {0.610066500621 0.221670570878 0.359672760447} 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