#MD System 2.0 @Title neb0_image05 @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 {} {0.848658132682 0.307390509835 0.0636408977661} Si1 1 0.0 1 14 {} {0.849432444391 0.385153111609 0.443959179908} Si2 2 0.0 1 14 {} {0.0986241157499 0.307264874893 0.192319488218} Si3 3 0.0 1 14 {} {0.0987484149971 0.383437348872 0.318231449561} Si4 4 0.0 1 14 {} {0.855212361818 0.540534253942 0.436568402578} Si5 5 0.0 1 14 {} {0.102747308442 0.537425490114 0.307685441644} Si6 6 0.0 1 14 {} {0.8497071868 0.458946488793 0.0649808365242} Si7 7 0.0 1 14 {} {0.845137267525 0.229514691586 0.442012763034} Si8 8 0.0 1 14 {} {0.0994817779378 0.458577254825 0.191639567512} Si9 9 0.0 1 14 {} {0.0949799000254 0.228754079494 0.314069394698} Si10 10 0.0 1 8 {} {0.352718148129 0.592341157147 0.520689562979} O1 11 0.0 1 14 {} {0.32716155425 0.654990688943 0.516715222533} Si11 12 0.0 1 8 {} {0.111262654851 0.590207561088 0.212548826928} O2 13 0.0 1 1 {} {0.0122795061571 0.593074255041 0.151146355067} H1 14 0.0 1 8 {} {0.334300312355 0.177916833819 0.540793687727} O3 15 0.0 1 1 {} {0.933235889208 0.175081046728 0.601526831892} H2 16 0.0 1 8 {} {0.0839911516613 0.176924926971 0.216163900724} O4 17 0.0 1 1 {} {0.182859497573 0.173662158181 0.155789479666} H3 18 0.0 1 14 {} {0.849064446712 0.307870211739 0.565288357995} Si12 19 0.0 1 14 {} {0.849252562538 0.383856434214 0.938358201321} Si13 20 0.0 1 14 {} {0.0990308598664 0.308553055108 0.693270613821} Si14 21 0.0 1 14 {} {0.0996975792936 0.386882677486 0.813349081741} Si15 22 0.0 1 14 {} {0.849513866757 0.538157708434 0.947041138217} Si16 23 0.0 1 14 {} {0.104091247918 0.542237917946 0.824163129844} Si17 24 0.0 1 14 {} {0.850526045957 0.463814547007 0.563775563208} Si18 25 0.0 1 14 {} {0.845053847896 0.228730753518 0.942537894569} Si19 26 0.0 1 14 {} {0.0989681768824 0.465906360535 0.692429055706} Si20 27 0.0 1 14 {} {0.0952185757408 0.229618576507 0.815133781843} Si21 28 0.0 1 8 {} {0.363352708958 0.589113672632 0.0460978257859} O5 29 0.0 1 1 {} {0.263331723683 0.593456441377 0.105619120774} H4 30 0.0 1 8 {} {0.138878332343 0.600926607343 0.75863587614} O6 31 0.0 1 1 {} {0.0362329863019 0.61988945915 0.730620403289} H5 32 0.0 1 8 {} {0.334123899679 0.177014757196 0.0408980748911} O7 33 0.0 1 1 {} {0.933040100891 0.173771609771 0.10119818472} H6 34 0.0 1 8 {} {0.084356311781 0.178712875161 0.714632103984} O8 35 0.0 1 1 {} {0.18363291007 0.175415147341 0.654429900158} H7 36 0.0 1 14 {} {0.348754414883 0.307418249385 0.063674977181} Si22 37 0.0 1 14 {} {0.348771033409 0.385402051835 0.443569201032} Si23 38 0.0 1 14 {} {0.598688084691 0.307407743508 0.19235945855} Si24 39 0.0 1 14 {} {0.59953089962 0.383537399135 0.318690164087} Si25 40 0.0 1 14 {} {0.354326945935 0.537291058306 0.430448089623} Si26 41 0.0 1 14 {} {0.607104965382 0.538329593292 0.308710212649} Si27 42 0.0 1 14 {} {0.350814810753 0.458359064955 0.0676994881602} Si28 43 0.0 1 14 {} {0.345033998495 0.229379997301 0.441832634748} Si29 44 0.0 1 14 {} {0.601187157534 0.45909315567 0.193115734362} Si30 45 0.0 1 14 {} {0.595101582019 0.228975578081 0.31419489077} Si31 46 0.0 1 8 {} {0.851828135932 0.5936297102 0.528923821099} O9 47 0.0 1 1 {} {0.940727485922 0.620709130249 0.51833311893} H8 48 0.0 1 8 {} {0.613255909431 0.590879642215 0.213086836108} O10 49 0.0 1 1 {} {0.513294106314 0.593320708617 0.152278743003} H9 50 0.0 1 8 {} {0.834123071055 0.178125263026 0.541137060431} O11 51 0.0 1 1 {} {0.433339824541 0.174763234424 0.601186054555} H10 52 0.0 1 8 {} {0.58429766806 0.177203258314 0.216139784428} O12 53 0.0 1 1 {} {0.683109000843 0.173912818532 0.155733846298} H11 54 0.0 1 14 {} {0.348653461676 0.307892178778 0.564882295744} Si32 55 0.0 1 14 {} {0.349695852718 0.383999688718 0.938969599033} Si33 56 0.0 1 14 {} {0.598730217049 0.308219933302 0.692794680741} Si34 57 0.0 1 14 {} {0.599233306063 0.38614525577 0.813165204991} Si35 58 0.0 1 14 {} {0.34892119672 0.536482513079 0.951500101805} Si36 59 0.0 1 14 {} {0.595701747982 0.539558935465 0.824271305227} Si37 60 0.0 1 14 {} {0.348995062505 0.463663141448 0.564776921734} Si38 61 0.0 1 14 {} {0.345182199721 0.22871456458 0.942657794573} Si39 62 0.0 1 14 {} {0.600007938034 0.4644997142 0.690807714594} Si40 63 0.0 1 14 {} {0.59504531239 0.229466976482 0.814945291466} Si41 64 0.0 1 8 {} {0.860890745214 0.590254110331 0.044157684504} O13 65 0.0 1 1 {} {0.761944065085 0.59380397218 0.105162887185} H12 66 0.0 1 8 {} {0.589521121374 0.596039155686 0.740862747987} O14 67 0.0 1 14 {} {0.608660539029 0.659094850134 0.735578655763} Si42 68 0.0 1 8 {} {0.834202430725 0.17704481118 0.0407925104633} O15 69 0.0 1 1 {} {0.432974955788 0.173798330176 0.101289209758} H13 70 0.0 1 8 {} {0.584198417628 0.17842952569 0.714844162945} O16 71 0.0 1 1 {} {0.683412992898 0.175257410692 0.654552448555} H14 72 0.0 1 7 {} {0.481674560973 0.685635365493 0.615253166927} N 73 0.0 1 1 {} {0.423313619975 0.755306900354 0.662382299418} H16 74 0.0 1 9 {} {0.805491070895 0.678524649135 0.717574242806} F4 75 0.0 1 9 {} {0.341826728355 0.679713461829 0.382692852076} F5 76 0.0 1 9 {} {0.543994851325 0.683635182256 0.861878214566} F3 77 0.0 1 9 {} {0.13445970147 0.671125586029 0.562036551637} F1 78 0.0 1 9 {} {0.414510570292 0.791366986817 0.682055422865} F2 79 0.0 1 9 {} {0.6036070251 0.713897910799 0.53529364471} 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