#MD System 2.0 @Title neb0_image03 @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 {} {0.848349136555 0.307122218706 0.0629913519227} Si1 1 0.0 1 14 {} {0.848712537922 0.385137470868 0.444550388156} Si2 2 0.0 1 14 {} {0.0982874194594 0.307011681949 0.192933911729} Si3 3 0.0 1 14 {} {0.0984827440929 0.38313326241 0.317917746482} Si4 4 0.0 1 14 {} {0.855899136328 0.541390456315 0.436431165882} Si5 5 0.0 1 14 {} {0.103636146898 0.537377497768 0.307537929386} Si6 6 0.0 1 14 {} {0.848535552801 0.458289004148 0.0656638593904} Si7 7 0.0 1 14 {} {0.844882673827 0.229304962647 0.44211717428} Si8 8 0.0 1 14 {} {0.0993491206206 0.458297343113 0.192769867542} Si9 9 0.0 1 14 {} {0.0947627150022 0.228573541374 0.313990850948} Si10 10 0.0 1 8 {} {0.358089472412 0.594161441815 0.51952412043} O1 11 0.0 1 14 {} {0.332443463391 0.657556011891 0.528384838411} Si11 12 0.0 1 8 {} {0.11190985045 0.589562124817 0.211378389801} O2 13 0.0 1 1 {} {0.0120775853528 0.59355791178 0.151154825599} H1 14 0.0 1 8 {} {0.333857499131 0.177818931953 0.54118873748} O3 15 0.0 1 1 {} {0.933055349573 0.174752472002 0.601629620795} H2 16 0.0 1 8 {} {0.0835955097541 0.176912919414 0.215922575311} O4 17 0.0 1 1 {} {0.182699147023 0.173339387074 0.15584719406} H3 18 0.0 1 14 {} {0.848724346795 0.307671667319 0.564539732252} Si12 19 0.0 1 14 {} {0.849101304169 0.383639116812 0.938956190501} Si13 20 0.0 1 14 {} {0.0986151309989 0.308100781054 0.693809400493} Si14 21 0.0 1 14 {} {0.0994418713734 0.386175111669 0.812562100324} Si15 22 0.0 1 14 {} {0.848656941015 0.537067025687 0.949333885551} Si16 23 0.0 1 14 {} {0.0988763035686 0.541637661498 0.823113147459} Si17 24 0.0 1 14 {} {0.850090244987 0.464019282068 0.561820083512} Si18 25 0.0 1 14 {} {0.844938527367 0.228513218294 0.942643950331} Si19 26 0.0 1 14 {} {0.0991150627035 0.464850370219 0.692662001345} Si20 27 0.0 1 14 {} {0.0949655662975 0.229411464716 0.814900968564} Si21 28 0.0 1 8 {} {0.362244941898 0.588781878185 0.0465569124258} O5 29 0.0 1 1 {} {0.262079284279 0.593590383638 0.106242421885} H4 30 0.0 1 8 {} {0.126053491555 0.598788536629 0.753792660899} O6 31 0.0 1 1 {} {0.0360888137995 0.623926275186 0.730287238508} H5 32 0.0 1 8 {} {0.333701941469 0.176954978895 0.0411382461062} O7 33 0.0 1 1 {} {0.932871059923 0.173445418992 0.101256337475} H6 34 0.0 1 8 {} {0.0838991777606 0.178602983874 0.714496571003} O8 35 0.0 1 1 {} {0.183380632688 0.175024986247 0.654594255277} H7 36 0.0 1 14 {} {0.348321611475 0.307099152689 0.063046033021} Si22 37 0.0 1 14 {} {0.349050785374 0.384847457233 0.444032687965} Si23 38 0.0 1 14 {} {0.598371103646 0.307141007738 0.192864706416} Si24 39 0.0 1 14 {} {0.599230727473 0.383201999159 0.317898586972} Si25 40 0.0 1 14 {} {0.354314465109 0.540686422579 0.43504126351} Si26 41 0.0 1 14 {} {0.605780320553 0.538522488662 0.309026519339} Si27 42 0.0 1 14 {} {0.350720939125 0.458261514669 0.0666695934396} Si28 43 0.0 1 14 {} {0.34486090087 0.229065159397 0.441979343972} Si29 44 0.0 1 14 {} {0.600511049629 0.458942828877 0.194884096049} Si30 45 0.0 1 14 {} {0.594910444123 0.228691610662 0.313958669052} Si31 46 0.0 1 8 {} {0.852709848918 0.594384593949 0.525700572054} O9 47 0.0 1 1 {} {0.944423533032 0.621428025947 0.522639537719} H8 48 0.0 1 8 {} {0.614351762647 0.589787749325 0.210735793151} O10 49 0.0 1 1 {} {0.513439159416 0.593887479959 0.151258300246} H9 50 0.0 1 8 {} {0.833737553566 0.178114546212 0.541501276294} O11 51 0.0 1 1 {} {0.433054001779 0.174429285278 0.601374063557} H10 52 0.0 1 8 {} {0.583893908202 0.177047690314 0.21584294197} O12 53 0.0 1 1 {} {0.682910976053 0.173469380818 0.155687912287} H11 54 0.0 1 14 {} {0.348368574293 0.307423973879 0.564463696299} Si32 55 0.0 1 14 {} {0.349545472587 0.383716388867 0.939429395853} Si33 56 0.0 1 14 {} {0.598522909833 0.307866194746 0.693430807506} Si34 57 0.0 1 14 {} {0.599272893911 0.385837811661 0.812288434189} Si35 58 0.0 1 14 {} {0.348948944206 0.536726993259 0.950679551911} Si36 59 0.0 1 14 {} {0.597330119126 0.540317369536 0.822495789074} Si37 60 0.0 1 14 {} {0.349755610434 0.463615774754 0.562605860519} Si38 61 0.0 1 14 {} {0.344866472381 0.228497320002 0.942759031928} Si39 62 0.0 1 14 {} {0.600155938194 0.464324272942 0.692411091211} Si40 63 0.0 1 14 {} {0.594845284839 0.229256038236 0.814911565584} Si41 64 0.0 1 8 {} {0.862087592741 0.58941407898 0.0445439803704} O13 65 0.0 1 1 {} {0.762476162807 0.593820053269 0.104856302667} H12 66 0.0 1 8 {} {0.593842206029 0.595055423916 0.742515047802} O14 67 0.0 1 14 {} {0.599091425297 0.659630481242 0.742541373357} Si42 68 0.0 1 8 {} {0.833851890285 0.176991383123 0.0410803498928} O15 69 0.0 1 1 {} {0.432803535937 0.17341635808 0.10122739143} H13 70 0.0 1 8 {} {0.583753512813 0.178373527388 0.714690554235} O16 71 0.0 1 1 {} {0.683183125136 0.174932070357 0.654674045855} H14 72 0.0 1 7 {} {0.454556915598 0.683193579834 0.641077598833} N 73 0.0 1 1 {} {0.450190319919 0.726964006068 0.643570361436} H16 74 0.0 1 9 {} {0.801930119731 0.674687673201 0.721343456601} F4 75 0.0 1 9 {} {0.363057875427 0.678970145309 0.390451887324} F5 76 0.0 1 9 {} {0.557041296501 0.680558115822 0.878655760724} F3 77 0.0 1 9 {} {0.127064377164 0.668320853918 0.553334532228} F1 78 0.0 1 9 {} {0.44166212284 0.786146801186 0.652810015907} F2 79 0.0 1 9 {} {0.571775185372 0.763869454889 0.522620901793} 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