#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 {} {0.222217347435 0.525578070257 0.337570687361} C1 1 1 14 {} {0.275926524778 0.488458470725 0.295655981187} Si1 2 1 14 {} {0.175655479923 0.534075832932 0.256654766093} Si2 3 1 8 {} {0.288624160616 0.520966603423 0.197575896883} O1 4 1 8 {} {0.315144139504 0.509960477017 0.36737863313} O2 5 1 6 {} {0.274257077354 0.395267876273 0.289021282484} C2 6 1 6 {} {0.144081951107 0.454393036828 0.23887964535} C3 7 1 8 {} {0.200145982929 0.560496463181 0.162591103576} O3 8 1 8 {} {0.140219090788 0.594836011719 0.284105953937} O4 9 1 14 {} {0.366837564485 0.53784519356 0.371001814721} Si3 10 1 7 {} {0.399866252375 0.472531546556 0.411670678758} N1 11 1 14 {} {0.451077774332 0.469954159712 0.359475398641} Si4 12 1 14 {} {0.381211494016 0.419864998586 0.497430478036} Si5 13 1 7 {} {0.352555817899 0.458125284563 0.582967237765} N2 14 1 7 {} {0.459831291166 0.558170462614 0.348070260115} N3 15 1 1 {} {0.210681117625 0.496980632513 0.396104727965} H1 16 1 1 {} {0.230278199563 0.576387358429 0.361639732317} H2 17 1 1 {} {0.263313632781 0.541770709984 0.167046419424} H3 18 1 1 {} {0.269033075111 0.372165091831 0.354721242096} H4 19 1 1 {} {0.305938209863 0.376144703624 0.262266221777} H5 20 1 1 {} {0.247479484447 0.378355036846 0.244249830278} H6 21 1 1 {} {0.117551277695 0.460685557065 0.188888387535} H7 22 1 1 {} {0.128493594299 0.436799488763 0.301138014377} H8 23 1 1 {} {0.166359130632 0.414383400663 0.215374436589} H9 24 1 1 {} {0.181451138597 0.583070318733 0.119282289926} H10 25 1 1 {} {0.111849865883 0.582349152664 0.309964236662} H11 26 1 1 {} {0.383002999856 0.557421096984 0.281222483863} H12 27 1 1 {} {0.366797916573 0.596590274634 0.433165332958} H13 28 1 1 {} {0.480470700001 0.427744013021 0.41955810385} H14 29 1 1 {} {0.456741213021 0.445677454981 0.267095924794} H15 30 1 1 {} {0.349869840578 0.36990657131 0.457066777314} H16 31 1 1 {} {0.421559499211 0.386384180839 0.535480409111} H17 32 1 1 {} {0.321107443795 0.475174838476 0.571095070178} H18 33 1 1 {} {0.36862298204 0.489119231159 0.626168037124} H19 34 1 1 {} {0.493676165973 0.564882065712 0.324055957841} H20 35 1 1 {} {0.456118709335 0.580563895643 0.409367103528} H21 36 1 6 {} {0.643810723116 0.642350352731 0.47517447044} C4 37 1 14 {} {0.604788169779 0.578975397558 0.434089315354} Si6 38 1 14 {} {0.636681939886 0.728080405597 0.429516659142} Si7 39 1 8 {} {0.593990806809 0.58616625543 0.325455186839} O5 40 1 8 {} {0.620747294081 0.501422184781 0.450965171115} O6 41 1 6 {} {0.552671502433 0.585358120924 0.497889261273} C5 42 1 6 {} {0.58813746611 0.777095940804 0.474680055046} C6 43 1 8 {} {0.631767096392 0.716034583773 0.319408450246} O7 44 1 8 {} {0.683776134776 0.770371553788 0.444768559724} O8 45 1 14 {} {0.629204007319 0.423124748692 0.42388492394} Si8 46 1 7 {} {0.583367343489 0.371479514038 0.44157188706} N4 47 1 14 {} {0.56396243273 0.322148574366 0.353484275446} Si9 48 1 14 {} {0.558878323649 0.368051421005 0.548757175031} Si10 49 1 7 {} {0.594498377255 0.386748137577 0.634527645755} N5 50 1 7 {} {0.598583660234 0.259358476349 0.315166161405} N6 51 1 1 {} {0.635377314452 0.641946920472 0.54695622611} H22 52 1 1 {} {0.678265930115 0.625143413138 0.464280274716} H23 53 1 1 {} {0.606813121373 0.625872139341 0.296855001316} H24 54 1 1 {} {0.551438858826 0.580966533269 0.571452195957} H25 55 1 1 {} {0.541610550795 0.535979872606 0.469016962502} H26 56 1 1 {} {0.531789752398 0.627088612603 0.473700583241} H27 57 1 1 {} {0.587300057171 0.827592352318 0.445246847483} H28 58 1 1 {} {0.59009221709 0.782912870888 0.547586801928} H29 59 1 1 {} {0.555932154725 0.753266602101 0.459533513712} H30 60 1 1 {} {0.6391571014 0.75347385911 0.280999289259} H31 61 1 1 {} {0.683687921948 0.804379807683 0.490743646497} H32 62 1 1 {} {0.640285112186 0.41848760455 0.326313802113} H33 63 1 1 {} {0.668341434049 0.402958737726 0.47862221021} H34 64 1 1 {} {0.522065139355 0.290292922835 0.386193526537} H35 65 1 1 {} {0.555613615675 0.365400046391 0.273761592662} H36 66 1 1 {} {0.522128516722 0.417621819335 0.557541592111} H37 67 1 1 {} {0.54149068943 0.298473232083 0.559956607498} H38 68 1 1 {} {0.600380411055 0.435480186693 0.650300203868} H39 69 1 1 {} {0.621479710042 0.357793998058 0.648836567783} H40 70 1 1 {} {0.623292227932 0.270694968172 0.271338352097} H41 71 1 1 {} {0.608222596255 0.22163121681 0.356232562576} 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