#MD System 2.0 @Title neb0_image04 @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 {} {0.848457897523 0.307188807014 0.0629486602127} Si1 1 0.0 1 14 {} {0.848907078405 0.38517053319 0.444563615201} Si2 2 0.0 1 14 {} {0.0983368643969 0.307076884428 0.192918379078} Si3 3 0.0 1 14 {} {0.0986468075655 0.383190055488 0.317840014854} Si4 4 0.0 1 14 {} {0.85651483148 0.541287576217 0.435928267761} Si5 5 0.0 1 14 {} {0.10314110924 0.537316108272 0.307074582332} Si6 6 0.0 1 14 {} {0.848146383331 0.458445376886 0.0657426064966} Si7 7 0.0 1 14 {} {0.84482857281 0.229323880013 0.442122719521} Si8 8 0.0 1 14 {} {0.0991391940433 0.4583317206 0.192637124662} Si9 9 0.0 1 14 {} {0.0947584741779 0.228617738042 0.313981308388} Si10 10 0.0 1 8 {} {0.348690480845 0.59220978976 0.522902517918} O1 11 0.0 1 14 {} {0.340134336672 0.657230312518 0.52458437049} Si11 12 0.0 1 8 {} {0.11226143749 0.589555530515 0.211165919629} O2 13 0.0 1 1 {} {0.0122706916971 0.59362013523 0.151050057866} H1 14 0.0 1 8 {} {0.333880773696 0.177844274665 0.541077813385} O3 15 0.0 1 1 {} {0.93299759359 0.174832680888 0.601604094799} H2 16 0.0 1 8 {} {0.0836887710143 0.17698541693 0.216016248432} O4 17 0.0 1 1 {} {0.182660288283 0.173418583609 0.155865683398} H3 18 0.0 1 14 {} {0.848677386024 0.307726821152 0.564516865437} Si12 19 0.0 1 14 {} {0.84919699472 0.383745223438 0.939002358588} Si13 20 0.0 1 14 {} {0.0985439901341 0.308288587305 0.693879062698} Si14 21 0.0 1 14 {} {0.0996185096002 0.38652064064 0.812416791764} Si15 22 0.0 1 14 {} {0.850749144693 0.536913192824 0.949771571912} Si16 23 0.0 1 14 {} {0.0988682660405 0.53855558483 0.825682066485} Si17 24 0.0 1 14 {} {0.850425920019 0.46406535122 0.561775419655} Si18 25 0.0 1 14 {} {0.844865314131 0.228558757033 0.94271029834} Si19 26 0.0 1 14 {} {0.0996429610096 0.464888711517 0.691971381715} Si20 27 0.0 1 14 {} {0.094907699844 0.229507238987 0.814931778593} Si21 28 0.0 1 8 {} {0.36183588158 0.588996468274 0.0463072568792} O5 29 0.0 1 1 {} {0.261996496295 0.593572050862 0.106486455616} H4 30 0.0 1 8 {} {0.118800054686 0.599380171523 0.756798811303} O6 31 0.0 1 1 {} {0.045154851864 0.626578743743 0.723485257719} H5 32 0.0 1 8 {} {0.33379137078 0.177036586057 0.0410843810275} O7 33 0.0 1 1 {} {0.932828298883 0.173541636067 0.101279422008} H6 34 0.0 1 8 {} {0.0840004135809 0.178751555412 0.714542885257} O8 35 0.0 1 1 {} {0.18337176874 0.175156468451 0.654581317477} H7 36 0.0 1 14 {} {0.348354758374 0.307178512203 0.0630391272219} Si22 37 0.0 1 14 {} {0.349220905287 0.384726602305 0.443995256619} Si23 38 0.0 1 14 {} {0.598448141229 0.307233637676 0.192796892821} Si24 39 0.0 1 14 {} {0.599340271026 0.383391731756 0.317714038815} Si25 40 0.0 1 14 {} {0.352975808181 0.538805297305 0.433144926336} Si26 41 0.0 1 14 {} {0.605891865053 0.53910654426 0.309846181167} Si27 42 0.0 1 14 {} {0.35096809209 0.458294682919 0.0669145346911} Si28 43 0.0 1 14 {} {0.344803092694 0.229091752034 0.442031023865} Si29 44 0.0 1 14 {} {0.600519191381 0.45943942318 0.195727940413} Si30 45 0.0 1 14 {} {0.594851743769 0.228734242452 0.313913181742} Si31 46 0.0 1 8 {} {0.853905344589 0.594240660225 0.526746683236} O9 47 0.0 1 1 {} {0.945625531682 0.621311011339 0.525236177527} H8 48 0.0 1 8 {} {0.615325529029 0.589781628697 0.209532958221} O10 49 0.0 1 1 {} {0.513494251136 0.593971829641 0.150719859516} H9 50 0.0 1 8 {} {0.833783762991 0.178160580151 0.541410276448} O11 51 0.0 1 1 {} {0.432945276889 0.174487203588 0.601345847334} H10 52 0.0 1 8 {} {0.583993879565 0.177120941589 0.215885234106} O12 53 0.0 1 1 {} {0.682901836198 0.173564688564 0.155658723586} H11 54 0.0 1 14 {} {0.348281822097 0.307454016554 0.564464582052} Si32 55 0.0 1 14 {} {0.349686181604 0.383776929827 0.939360608328} Si33 56 0.0 1 14 {} {0.598449791532 0.307933826873 0.693407734957} Si34 57 0.0 1 14 {} {0.599391381733 0.385859124907 0.812258149048} Si35 58 0.0 1 14 {} {0.350033547373 0.53667653854 0.951321376038} Si36 59 0.0 1 14 {} {0.598449789321 0.539914321105 0.822539488455} Si37 60 0.0 1 14 {} {0.350075887583 0.463136434632 0.562495416673} Si38 61 0.0 1 14 {} {0.344836352474 0.228554744971 0.942814762058} Si39 62 0.0 1 14 {} {0.600325977853 0.464168712051 0.691810873521} Si40 63 0.0 1 14 {} {0.594797095 0.229319942821 0.814903202512} Si41 64 0.0 1 8 {} {0.862092225849 0.589537025637 0.0440609943729} O13 65 0.0 1 1 {} {0.762612577205 0.593573704085 0.104999448971} H12 66 0.0 1 8 {} {0.592769038342 0.595339324532 0.742505906098} O14 67 0.0 1 14 {} {0.601889996776 0.659975969863 0.741902442114} Si42 68 0.0 1 8 {} {0.833944579584 0.177054107433 0.0410143995324} O15 69 0.0 1 1 {} {0.432800034511 0.173508791395 0.101218746149} H13 70 0.0 1 8 {} {0.583821454298 0.178483499229 0.714742596087} O16 71 0.0 1 1 {} {0.683129745508 0.175050033206 0.654655226056} H14 72 0.0 1 7 {} {0.464231751152 0.686445359843 0.635613236377} N 73 0.0 1 1 {} {0.449185969829 0.738309915841 0.644064879065} H16 74 0.0 1 9 {} {0.801948079847 0.675414935706 0.721177949742} F4 75 0.0 1 9 {} {0.351334560484 0.680803532671 0.386038044575} F5 76 0.0 1 9 {} {0.553052604038 0.68067692629 0.876066422704} F3 77 0.0 1 9 {} {0.139923640143 0.667515637343 0.55733986152} F1 78 0.0 1 9 {} {0.428038857898 0.788941064769 0.665879932128} F2 79 0.0 1 9 {} {0.568853550165 0.744939727937 0.520688812696} 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 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 44 41 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 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 20 27 {0 0 0} 0 6 22 6 {0 0 1} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 68 33 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 41 44 {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