#MD System 2.0 @Title neb0_image09 @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 {} {0.22362309911 0.525313621589 0.339861968834} C1 1 1 14 {} {0.277597197347 0.488364634899 0.298101274733} Si1 2 1 14 {} {0.176943012848 0.53379448363 0.258875776023} Si2 3 1 8 {} {0.290161241964 0.52142182649 0.200245828474} O1 4 1 8 {} {0.317499871849 0.508708850319 0.369069781142} O2 5 1 6 {} {0.275610387624 0.395146303182 0.29103301002} C2 6 1 6 {} {0.145396105937 0.454076252814 0.241122248865} C3 7 1 8 {} {0.201444195182 0.559717906279 0.1646423392} O3 8 1 8 {} {0.141583242757 0.594891110115 0.285801929085} O4 9 1 14 {} {0.369035636567 0.537552420362 0.373932374872} Si3 10 1 7 {} {0.403184268826 0.474310850111 0.416406651334} N1 11 1 14 {} {0.456141564655 0.470894022255 0.372036274901} Si4 12 1 14 {} {0.383271446587 0.42031795325 0.498791365264} Si5 13 1 7 {} {0.354273220788 0.458266590789 0.583912734328} N2 14 1 7 {} {0.472787366252 0.554790130971 0.369733666166} N3 15 1 1 {} {0.212029230879 0.496691594472 0.398349995018} H1 16 1 1 {} {0.231478650335 0.576138076253 0.364053625298} H2 17 1 1 {} {0.264630654506 0.541523867288 0.169510720945} H3 18 1 1 {} {0.270453973835 0.372161570255 0.35687544132} H4 19 1 1 {} {0.307328044081 0.376108503195 0.264277313144} H5 20 1 1 {} {0.248832014889 0.378033952617 0.246346740718} H6 21 1 1 {} {0.118878825584 0.460270278058 0.191071148302} H7 22 1 1 {} {0.129869614115 0.436334389513 0.303322744506} H8 23 1 1 {} {0.16780959426 0.414276133181 0.217519223636} H9 24 1 1 {} {0.182939869638 0.582735583638 0.121382327856} H10 25 1 1 {} {0.113208035624 0.582554227056 0.311900475751} H11 26 1 1 {} {0.38530568446 0.557463413719 0.28422765277} H12 27 1 1 {} {0.367919620513 0.596297283631 0.435147621315} H13 28 1 1 {} {0.482071868456 0.421638408986 0.426730428234} H14 29 1 1 {} {0.460340858795 0.454619106065 0.276756484152} H15 30 1 1 {} {0.351899545359 0.371196022297 0.458393684641} H16 31 1 1 {} {0.422880582439 0.386143524724 0.537791780565} H17 32 1 1 {} {0.322653102629 0.474661376987 0.573027854924} H18 33 1 1 {} {0.370249650801 0.488584029464 0.627968763872} H19 34 1 1 {} {0.500659103251 0.566878170453 0.335285210413} H20 35 1 1 {} {0.477699500091 0.575823066882 0.430847317245} H21 36 1 6 {} {0.637313415717 0.640879454089 0.47267088801} C4 37 1 14 {} {0.599161158188 0.577449291688 0.425792354694} Si6 38 1 14 {} {0.634274055458 0.727139941378 0.427932847333} Si7 39 1 8 {} {0.594273138517 0.585069867527 0.316203210277} O5 40 1 8 {} {0.616802194698 0.501815655429 0.448958751446} O6 41 1 6 {} {0.544961269816 0.58564792162 0.481390839025} C5 42 1 6 {} {0.586628994837 0.777596579468 0.47265189063} C6 43 1 8 {} {0.629919784177 0.716328428997 0.317412630926} O7 44 1 8 {} {0.681795031796 0.768593720553 0.443592741488} O8 45 1 14 {} {0.627386018174 0.423977309445 0.42127356065} Si8 46 1 7 {} {0.582081118892 0.371876898819 0.439524989482} N4 47 1 14 {} {0.562566259051 0.322515821598 0.350913361152} Si9 48 1 14 {} {0.557383292699 0.368490122623 0.545875657643} Si10 49 1 7 {} {0.592720316355 0.387280431232 0.632691426233} N5 50 1 7 {} {0.597526104716 0.259936730707 0.313546388426} N6 51 1 1 {} {0.63238936473 0.641955679963 0.545533404163} H22 52 1 1 {} {0.671061557562 0.621969684414 0.460344215438} H23 53 1 1 {} {0.606924194278 0.62710658463 0.293642985448} H24 54 1 1 {} {0.541480174743 0.573542903911 0.552017458209} H25 55 1 1 {} {0.528014575877 0.543600699278 0.450514784673} H26 56 1 1 {} {0.5270411703 0.63159189961 0.464530372445} H27 57 1 1 {} {0.585864959011 0.82805387543 0.443253006034} H28 58 1 1 {} {0.588670284035 0.783132206051 0.545598917721} H29 59 1 1 {} {0.554544991687 0.753477685608 0.457486991514} H30 60 1 1 {} {0.637914649905 0.753781139954 0.279516603383} H31 61 1 1 {} {0.682158399924 0.803592533028 0.488229419596} H32 62 1 1 {} {0.638912918702 0.419006662587 0.324500023822} H33 63 1 1 {} {0.666566718484 0.403716121851 0.476090052035} H34 64 1 1 {} {0.520743036635 0.290634609593 0.38375058193} H35 65 1 1 {} {0.55432431838 0.365528090167 0.271400308477} H36 66 1 1 {} {0.520396471721 0.417926419829 0.552871412022} H37 67 1 1 {} {0.540156921348 0.299104151404 0.557668563356} H38 68 1 1 {} {0.599156566168 0.435906380272 0.647871662032} H39 69 1 1 {} {0.619696112598 0.358176551403 0.646102015229} H40 70 1 1 {} {0.622131344868 0.271030086249 0.269323393349} H41 71 1 1 {} {0.607047083429 0.222171290679 0.354776631943} 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