#MD System 2.0 @Title neb0_image06 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849269455481 0.307738591902 0.0632680160024} Si1 1 0.0 1 14 {} {0.849808086402 0.385195340297 0.444388522458} Si2 2 0.0 1 14 {} {0.0992903855916 0.307596596288 0.192589388509} Si3 3 0.0 1 14 {} {0.0993097762321 0.383644703292 0.318386774664} Si4 4 0.0 1 14 {} {0.856305326909 0.539968420934 0.437159606554} Si5 5 0.0 1 14 {} {0.101845243495 0.537273191099 0.307061076935} Si6 6 0.0 1 14 {} {0.850962207613 0.459087242078 0.0647019340975} Si7 7 0.0 1 14 {} {0.845384961967 0.229809611789 0.442089432245} Si8 8 0.0 1 14 {} {0.0994678833698 0.458598597564 0.192352956585} Si9 9 0.0 1 14 {} {0.0952669240099 0.229102596658 0.314076591528} Si10 10 0.0 1 8 {} {0.350457585058 0.593089642329 0.517357441875} O1 11 0.0 1 14 {} {0.319272194861 0.655333952252 0.521571858617} Si11 12 0.0 1 8 {} {0.110713511165 0.590213445694 0.212126476957} O2 13 0.0 1 1 {} {0.0118485486693 0.59313626666 0.150631034263} H1 14 0.0 1 8 {} {0.334742340471 0.178261738381 0.540587571174} O3 15 0.0 1 1 {} {0.933519922857 0.175294332272 0.60134422517} H2 16 0.0 1 8 {} {0.0843762477018 0.177225868812 0.216222747688} O4 17 0.0 1 1 {} {0.183187234623 0.173901533111 0.155790125687} H3 18 0.0 1 14 {} {0.849547374228 0.308042565375 0.565282153526} Si12 19 0.0 1 14 {} {0.850021270696 0.384235463091 0.938386310429} Si13 20 0.0 1 14 {} {0.099620684606 0.309215868344 0.693847098512} Si14 21 0.0 1 14 {} {0.10015198277 0.387649588529 0.812451277732} Si15 22 0.0 1 14 {} {0.851739939699 0.538224808089 0.94766012536} Si16 23 0.0 1 14 {} {0.106191734495 0.541903587616 0.827740631935} Si17 24 0.0 1 14 {} {0.851134638594 0.463496401697 0.563682650829} Si18 25 0.0 1 14 {} {0.845415599986 0.229063996953 0.942471135956} Si19 26 0.0 1 14 {} {0.0998619882776 0.466657428352 0.693015396276} Si20 27 0.0 1 14 {} {0.0956417007911 0.230185253537 0.81499100593} Si21 28 0.0 1 8 {} {0.365055686305 0.589176235508 0.0470380080137} O5 29 0.0 1 1 {} {0.263975265838 0.593840752028 0.105681550912} H4 30 0.0 1 8 {} {0.143413543761 0.601545699164 0.764451436222} O6 31 0.0 1 1 {} {0.0460567405215 0.618847303463 0.723800125374} H5 32 0.0 1 8 {} {0.33450342639 0.17732902131 0.0408818870728} O7 33 0.0 1 1 {} {0.933432855223 0.174014683151 0.1011140353} H6 34 0.0 1 8 {} {0.084731457576 0.179267638769 0.714475594411} O8 35 0.0 1 1 {} {0.184027493727 0.175822274215 0.654328159686} H7 36 0.0 1 14 {} {0.349158978245 0.307668067521 0.0632423325418} Si22 37 0.0 1 14 {} {0.34913038415 0.385736522039 0.444183526001} Si23 38 0.0 1 14 {} {0.599109975772 0.307901265352 0.192717211583} Si24 39 0.0 1 14 {} {0.599881802227 0.384048990413 0.318680361296} Si25 40 0.0 1 14 {} {0.35458483649 0.537793903824 0.429951471272} Si26 41 0.0 1 14 {} {0.609085682306 0.538336232885 0.308421337872} Si27 42 0.0 1 14 {} {0.351715891472 0.458046260819 0.0688677657234} Si28 43 0.0 1 14 {} {0.345265987335 0.229843167115 0.441930922683} Si29 44 0.0 1 14 {} {0.603187039516 0.459203708401 0.192965957576} Si30 45 0.0 1 14 {} {0.595345422989 0.229353090035 0.314182931409} Si31 46 0.0 1 8 {} {0.857719313634 0.591741191328 0.533517534665} O9 47 0.0 1 1 {} {0.935080781345 0.621626643778 0.516095807937} H8 48 0.0 1 8 {} {0.613563490841 0.59130519684 0.213789937482} O10 49 0.0 1 1 {} {0.513399253351 0.59371962167 0.152890777144} H9 50 0.0 1 8 {} {0.834490542311 0.178276299099 0.540866196945} O11 51 0.0 1 1 {} {0.433751782986 0.174979359391 0.600953646685} H10 52 0.0 1 8 {} {0.584705264396 0.177562829762 0.216086785004} O12 53 0.0 1 1 {} {0.683549024072 0.174252783087 0.155663480007} H11 54 0.0 1 14 {} {0.348930101481 0.308332926646 0.564546652533} Si32 55 0.0 1 14 {} {0.34962757479 0.384220765906 0.939266914387} Si33 56 0.0 1 14 {} {0.59891024399 0.308438328484 0.693117995053} Si34 57 0.0 1 14 {} {0.599323037617 0.386254192752 0.812884602983} Si35 58 0.0 1 14 {} {0.352340245568 0.536035091132 0.953300823251} Si36 59 0.0 1 14 {} {0.598448208058 0.539270587321 0.824145343022} Si37 60 0.0 1 14 {} {0.349047105818 0.463513099964 0.564314225082} Si38 61 0.0 1 14 {} {0.345546073118 0.229033097973 0.942625354866} Si39 62 0.0 1 14 {} {0.600087137699 0.464175805937 0.691095766324} Si40 63 0.0 1 14 {} {0.595348869694 0.229770316744 0.814806161876} Si41 64 0.0 1 8 {} {0.860137149784 0.590537294037 0.0442583348798} O13 65 0.0 1 1 {} {0.761219384711 0.594203094405 0.105370513275} H12 66 0.0 1 8 {} {0.592961661123 0.595421393815 0.742746098664} O14 67 0.0 1 14 {} {0.600357921813 0.658803614186 0.738092563234} Si42 68 0.0 1 8 {} {0.834580854841 0.177343650669 0.0407054609622} O15 69 0.0 1 1 {} {0.43334613344 0.174084885968 0.101317971815} H13 70 0.0 1 8 {} {0.584663932434 0.178693603094 0.714774155937} O16 71 0.0 1 1 {} {0.683827806649 0.175482001139 0.654424819716} H14 72 0.0 1 7 {} {0.476325399512 0.68654307821 0.614771132673} N 73 0.0 1 1 {} {0.429228557047 0.754921888129 0.657656941977} H16 74 0.0 1 9 {} {0.793366245598 0.67934928493 0.715913131321} F4 75 0.0 1 9 {} {0.316818250022 0.681831477018 0.389054468941} F5 76 0.0 1 9 {} {0.532115891328 0.683749669348 0.863084104296} F3 77 0.0 1 9 {} {0.127994331735 0.669184145021 0.573779573745} F1 78 0.0 1 9 {} {0.427477367014 0.793603962266 0.668097252644} F2 79 0.0 1 9 {} {0.611736558576 0.69725165047 0.522088580712} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 45 38 0 0 21 19 0 0 78 73 0 0 58 42 0 0 3 1 0 0 27 20 0 0 22 6 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 0 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 0 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 67 74 {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