#MD System 2.0 @Title neb0_image09 @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 {} {0.849711978947 0.307908512515 0.0626916857372} Si1 1 0.0 1 14 {} {0.850123813805 0.385260258496 0.444542395058} Si2 2 0.0 1 14 {} {0.0996480695667 0.307621724411 0.19281129964} Si3 3 0.0 1 14 {} {0.0999164144028 0.383578120102 0.318289601558} Si4 4 0.0 1 14 {} {0.861298061089 0.542352125785 0.439343502532} Si5 5 0.0 1 14 {} {0.105521643115 0.537995195349 0.304804319855} Si6 6 0.0 1 14 {} {0.849498434069 0.458867475758 0.065646913016} Si7 7 0.0 1 14 {} {0.845870198662 0.229860563932 0.442278767797} Si8 8 0.0 1 14 {} {0.100135357202 0.45862613946 0.192900804519} Si9 9 0.0 1 14 {} {0.0957138297835 0.229126715601 0.313736147934} Si10 10 0.0 1 8 {} {0.34171104261 0.592360828687 0.523863744784} O1 11 0.0 1 14 {} {0.353614800449 0.659552761584 0.51767124984} Si11 12 0.0 1 8 {} {0.112606994579 0.589644843466 0.208358847597} O2 13 0.0 1 1 {} {0.0120146637081 0.594187580694 0.148921967347} H1 14 0.0 1 8 {} {0.334854915676 0.1783913138 0.540562166633} O3 15 0.0 1 1 {} {0.933812626803 0.175199788938 0.601056107563} H2 16 0.0 1 8 {} {0.0846589152026 0.177413932047 0.215967498512} O4 17 0.0 1 1 {} {0.183636415373 0.173826712864 0.155832928827} H3 18 0.0 1 14 {} {0.850086770056 0.308119110881 0.565182234187} Si12 19 0.0 1 14 {} {0.850210619273 0.384441910257 0.938272827662} Si13 20 0.0 1 14 {} {0.100072121941 0.309531221035 0.694388201112} Si14 21 0.0 1 14 {} {0.10080502732 0.388244568655 0.812256610805} Si15 22 0.0 1 14 {} {0.852068113161 0.53782997088 0.951137986871} Si16 23 0.0 1 14 {} {0.103517931521 0.543629529163 0.820854137299} Si17 24 0.0 1 14 {} {0.851245480065 0.46426772527 0.560811164224} Si18 25 0.0 1 14 {} {0.846064280729 0.229203956332 0.942596809468} Si19 26 0.0 1 14 {} {0.101280954172 0.466964172994 0.690806190981} Si20 27 0.0 1 14 {} {0.0963068651993 0.230443963027 0.814892905778} Si21 28 0.0 1 8 {} {0.36393357293 0.589212386008 0.0472619493562} O5 29 0.0 1 1 {} {0.263231569087 0.594246881768 0.106796012956} H4 30 0.0 1 8 {} {0.111486945798 0.604469743966 0.77859528438} O6 31 0.0 1 1 {} {0.114359780791 0.625455992964 0.700138512619} H5 32 0.0 1 8 {} {0.334852023373 0.177669203997 0.0411063770048} O7 33 0.0 1 1 {} {0.933892637507 0.173980918674 0.100949847534} H6 34 0.0 1 8 {} {0.0849714474407 0.179876955014 0.713967584107} O8 35 0.0 1 1 {} {0.184530818287 0.176001654963 0.654244016394} H7 36 0.0 1 14 {} {0.349548622361 0.3078318185 0.0627564440261} Si22 37 0.0 1 14 {} {0.350117550549 0.385403688619 0.444146666098} Si23 38 0.0 1 14 {} {0.599570107759 0.308069190898 0.192710244256} Si24 39 0.0 1 14 {} {0.600376655522 0.384033945288 0.318445602228} Si25 40 0.0 1 14 {} {0.354423614351 0.541340450228 0.435348620008} Si26 41 0.0 1 14 {} {0.609120134779 0.541154913868 0.31015787069} Si27 42 0.0 1 14 {} {0.353442675946 0.458586138286 0.0684797812412} Si28 43 0.0 1 14 {} {0.345613833131 0.229852106696 0.442072175361} Si29 44 0.0 1 14 {} {0.603401081388 0.460463638249 0.197464637529} Si30 45 0.0 1 14 {} {0.595811053982 0.229545953942 0.313860936558} Si31 46 0.0 1 8 {} {0.875262260755 0.59058406586 0.538841365959} O9 47 0.0 1 1 {} {0.946906428611 0.622773444373 0.528768420091} H8 48 0.0 1 8 {} {0.617403471546 0.591108112109 0.209444903003} O10 49 0.0 1 1 {} {0.514777885305 0.595640413932 0.151976592451} H9 50 0.0 1 8 {} {0.834691383095 0.178404832868 0.540789298293} O11 51 0.0 1 1 {} {0.434064948333 0.174822509552 0.600575123103} H10 52 0.0 1 8 {} {0.585021539806 0.17788751768 0.215881316566} O12 53 0.0 1 1 {} {0.683984154073 0.17428739654 0.155722109516} H11 54 0.0 1 14 {} {0.349241252166 0.308165911808 0.56455422391} Si32 55 0.0 1 14 {} {0.350613672046 0.38457982413 0.939384756897} Si33 56 0.0 1 14 {} {0.599310859785 0.308724937127 0.69355019366} Si34 57 0.0 1 14 {} {0.600025398056 0.386847495944 0.812263065083} Si35 58 0.0 1 14 {} {0.353385712833 0.536957176268 0.953873860539} Si36 59 0.0 1 14 {} {0.599983841151 0.541739008022 0.819325344226} Si37 60 0.0 1 14 {} {0.351372824566 0.464366765944 0.560705192554} Si38 61 0.0 1 14 {} {0.346250305456 0.229154673318 0.942748216157} Si39 62 0.0 1 14 {} {0.601040024379 0.46513490502 0.691105612454} Si40 63 0.0 1 14 {} {0.596000796235 0.229931756627 0.814610192919} Si41 64 0.0 1 8 {} {0.861139144424 0.590103764835 0.0446945078593} O13 65 0.0 1 1 {} {0.761724089601 0.594747398822 0.105934672817} H12 66 0.0 1 8 {} {0.592332705623 0.597296177225 0.745020326991} O14 67 0.0 1 14 {} {0.58676850517 0.663046334944 0.745991354376} Si42 68 0.0 1 8 {} {0.834907013612 0.177671882119 0.0408522130212} O15 69 0.0 1 1 {} {0.43388175891 0.174126520243 0.101223847749} H13 70 0.0 1 8 {} {0.584911042255 0.179091923501 0.714415517757} O16 71 0.0 1 1 {} {0.684226761936 0.175477387505 0.654404982605} H14 72 0.0 1 7 {} {0.439384252836 0.688789182373 0.648205109929} N 73 0.0 1 1 {} {0.432836591381 0.754250174581 0.656146849149} H16 74 0.0 1 9 {} {0.781450566529 0.681624951695 0.71795637265} F4 75 0.0 1 9 {} {0.265620636662 0.683836217305 0.39443176619} F5 76 0.0 1 9 {} {0.547964698059 0.678588621957 0.886291657477} F3 77 0.0 1 9 {} {0.140038786677 0.660619849996 0.58444439201} F1 78 0.0 1 9 {} {0.436990471123 0.792911795875 0.659422709861} F2 79 0.0 1 9 {} {0.553838420965 0.659495059725 0.451713745557} 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 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 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 1 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 1 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 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 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 33 68 {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 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 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