#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 {} {0.848918666523 0.307556781674 0.0627970442053} Si1 1 0.0 1 14 {} {0.849477011178 0.385266988933 0.444382010894} Si2 2 0.0 1 14 {} {0.0988066072604 0.307354001222 0.192566322983} Si3 3 0.0 1 14 {} {0.0990986791785 0.38338436649 0.317769587479} Si4 4 0.0 1 14 {} {0.858159224005 0.541834308538 0.436989049884} Si5 5 0.0 1 14 {} {0.102987219331 0.537437733465 0.306265809656} Si6 6 0.0 1 14 {} {0.847588679384 0.458809728177 0.0662282094277} Si7 7 0.0 1 14 {} {0.845275367249 0.229660004818 0.44207146222} Si8 8 0.0 1 14 {} {0.0992201703418 0.458469316655 0.192243229603} Si9 9 0.0 1 14 {} {0.0951238570139 0.228919892506 0.313942454403} Si10 10 0.0 1 8 {} {0.337822968997 0.591782515149 0.526456592385} O1 11 0.0 1 14 {} {0.33908878246 0.656037854527 0.523070484306} Si11 12 0.0 1 8 {} {0.112701340103 0.589693511241 0.210033550492} O2 13 0.0 1 1 {} {0.0125652842305 0.593923919682 0.149989740498} H1 14 0.0 1 8 {} {0.334254403808 0.177938859841 0.540739001208} O3 15 0.0 1 1 {} {0.933291835474 0.175068236045 0.601334604966} H2 16 0.0 1 8 {} {0.0840316665786 0.177211574646 0.215982820447} O4 17 0.0 1 1 {} {0.183017563749 0.173677443933 0.1558362679} H3 18 0.0 1 14 {} {0.849325837186 0.307990588907 0.564867653812} Si12 19 0.0 1 14 {} {0.849303617104 0.384191553625 0.938926857464} Si13 20 0.0 1 14 {} {0.0990705330933 0.308889843497 0.694166735258} Si14 21 0.0 1 14 {} {0.100112952057 0.38732068617 0.812792780207} Si15 22 0.0 1 14 {} {0.85175676974 0.537187423564 0.949517816438} Si16 23 0.0 1 14 {} {0.101281875497 0.540029878402 0.823934320815} Si17 24 0.0 1 14 {} {0.850932871476 0.464228161796 0.561187755531} Si18 25 0.0 1 14 {} {0.845278778774 0.228896677291 0.942533518585} Si19 26 0.0 1 14 {} {0.100399515358 0.465663919409 0.691165381981} Si20 27 0.0 1 14 {} {0.0953978354331 0.229968321452 0.815035059099} Si21 28 0.0 1 8 {} {0.362697742432 0.589388454004 0.0466702115376} O5 29 0.0 1 1 {} {0.262557602441 0.593804998574 0.10668764104} H4 30 0.0 1 8 {} {0.115942511606 0.599472617664 0.771369649549} O6 31 0.0 1 1 {} {0.0693420251292 0.628588884897 0.711851325326} H5 32 0.0 1 8 {} {0.334225195477 0.177378440067 0.0410745677486} O7 33 0.0 1 1 {} {0.933244442784 0.17383776612 0.101175710629} H6 34 0.0 1 8 {} {0.0844291537195 0.179290828791 0.714246358188} O8 35 0.0 1 1 {} {0.183862900898 0.175603643869 0.654357657227} H7 36 0.0 1 14 {} {0.348911093786 0.307567336566 0.0629164674243} Si22 37 0.0 1 14 {} {0.349692142081 0.384705119828 0.44367971349} Si23 38 0.0 1 14 {} {0.598984701952 0.307699579008 0.192493398353} Si24 39 0.0 1 14 {} {0.599933567437 0.383808018139 0.317803800279} Si25 40 0.0 1 14 {} {0.351498010373 0.538750966738 0.433272477183} Si26 41 0.0 1 14 {} {0.606138254023 0.54071994192 0.311836869113} Si27 42 0.0 1 14 {} {0.352437549603 0.458596007393 0.0679014245864} Si28 43 0.0 1 14 {} {0.34507083031 0.229358470765 0.441953551731} Si29 44 0.0 1 14 {} {0.601174669125 0.460480130841 0.197808125196} Si30 45 0.0 1 14 {} {0.595208852889 0.229218569862 0.314022237614} Si31 46 0.0 1 8 {} {0.861907034588 0.593140142828 0.532668894488} O9 47 0.0 1 1 {} {0.949154816847 0.621391690609 0.529869605832} H8 48 0.0 1 8 {} {0.616446599136 0.590514345049 0.208890546119} O10 49 0.0 1 1 {} {0.514178323303 0.594684909024 0.15043254963} H9 50 0.0 1 8 {} {0.834084970135 0.178347499472 0.54114118841} O11 51 0.0 1 1 {} {0.433286192629 0.174611270366 0.601023519295} H10 52 0.0 1 8 {} {0.584404622151 0.177564796087 0.21588578542} O12 53 0.0 1 1 {} {0.683363050614 0.17399480614 0.155710569242} H11 54 0.0 1 14 {} {0.348594351955 0.307631276172 0.564760790691} Si32 55 0.0 1 14 {} {0.350473602479 0.384275728415 0.93940995224} Si33 56 0.0 1 14 {} {0.59888903638 0.308291738485 0.693320568551} Si34 57 0.0 1 14 {} {0.599819299803 0.386322690078 0.812185897574} Si35 58 0.0 1 14 {} {0.351641283372 0.536849399769 0.951615433745} Si36 59 0.0 1 14 {} {0.599587788564 0.540321194963 0.821796185757} Si37 60 0.0 1 14 {} {0.3506760409 0.463104584469 0.561809206516} Si38 61 0.0 1 14 {} {0.345351695721 0.228910803124 0.942680150686} Si39 62 0.0 1 14 {} {0.600837473165 0.464574402869 0.691049962596} Si40 63 0.0 1 14 {} {0.595256171647 0.229651976776 0.814890305849} Si41 64 0.0 1 8 {} {0.862053900383 0.589961490636 0.0440803072254} O13 65 0.0 1 1 {} {0.762974548622 0.593851205692 0.105208973411} H12 66 0.0 1 8 {} {0.593230058663 0.596587442475 0.742014270867} O14 67 0.0 1 14 {} {0.601770923927 0.660227772581 0.743789913491} Si42 68 0.0 1 8 {} {0.834310527062 0.177375348723 0.0409582039937} O15 69 0.0 1 1 {} {0.433255462357 0.173882019548 0.101205164127} H13 70 0.0 1 8 {} {0.584190644582 0.178819924574 0.714546174337} O16 71 0.0 1 1 {} {0.683515459917 0.175370191341 0.654474330824} H14 72 0.0 1 7 {} {0.460139933736 0.687001040361 0.635415000641} N 73 0.0 1 1 {} {0.444589579159 0.747118622307 0.647074781313} H16 74 0.0 1 9 {} {0.796439674921 0.677786225844 0.721135659899} F4 75 0.0 1 9 {} {0.317706488138 0.681221757514 0.386868492286} F5 76 0.0 1 9 {} {0.547246800248 0.680614848774 0.876380716834} F3 77 0.0 1 9 {} {0.14220457858 0.665710720087 0.569281884289} F1 78 0.0 1 9 {} {0.433478606052 0.787111034706 0.662396487559} F2 79 0.0 1 9 {} {0.56134198456 0.710947544772 0.496332548466} 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