#MD System 2.0 @Title neb0_image07 @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 {} {0.84908999842 0.307657831776 0.0627130283023} Si1 1 0.0 1 14 {} {0.849648433208 0.385233681541 0.444497266755} Si2 2 0.0 1 14 {} {0.0990085568071 0.30738810009 0.192641666372} Si3 3 0.0 1 14 {} {0.0989979260942 0.383476712886 0.317547368173} Si4 4 0.0 1 14 {} {0.857981683988 0.541921423681 0.437652043844} Si5 5 0.0 1 14 {} {0.103460876146 0.537684655429 0.306535991726} Si6 6 0.0 1 14 {} {0.84775083139 0.458908249124 0.0661654875053} Si7 7 0.0 1 14 {} {0.845456205636 0.229741037251 0.442157419853} Si8 8 0.0 1 14 {} {0.0994050340393 0.458612713834 0.192329908856} Si9 9 0.0 1 14 {} {0.0952554071452 0.228995103065 0.31380762578} Si10 10 0.0 1 8 {} {0.357410351359 0.596257210795 0.516180176127} O1 11 0.0 1 14 {} {0.338786152696 0.660235853612 0.520304778546} Si11 12 0.0 1 8 {} {0.112331889542 0.589605814836 0.20998149845} O2 13 0.0 1 1 {} {0.0126855390204 0.593806812019 0.149918332292} H1 14 0.0 1 8 {} {0.334472604553 0.178014499516 0.540626520467} O3 15 0.0 1 1 {} {0.93341397127 0.175158422501 0.601232739829} H2 16 0.0 1 8 {} {0.0841536624213 0.177250693391 0.215970908297} O4 17 0.0 1 1 {} {0.183150313128 0.17376375227 0.155838335739} H3 18 0.0 1 14 {} {0.849579505104 0.307989237 0.56487077852} Si12 19 0.0 1 14 {} {0.849397237221 0.384354898894 0.939222906279} Si13 20 0.0 1 14 {} {0.0992945672984 0.308989279751 0.694345037689} Si14 21 0.0 1 14 {} {0.100075486988 0.387369933766 0.81293232766} Si15 22 0.0 1 14 {} {0.850770294537 0.537138251562 0.94975977143} Si16 23 0.0 1 14 {} {0.10095408491 0.542194127466 0.823362137651} Si17 24 0.0 1 14 {} {0.850901844197 0.464235503804 0.560791404124} Si18 25 0.0 1 14 {} {0.845480760586 0.228995990244 0.94260155761} Si19 26 0.0 1 14 {} {0.100213898443 0.465776761225 0.691338112379} Si20 27 0.0 1 14 {} {0.0956049926317 0.230081885587 0.814908227854} Si21 28 0.0 1 8 {} {0.363714289166 0.589161994851 0.0464859277602} O5 29 0.0 1 1 {} {0.263263306353 0.593768694939 0.10598321568} H4 30 0.0 1 8 {} {0.122715739626 0.602674541158 0.776355469852} O6 31 0.0 1 1 {} {0.0758265122776 0.624779122985 0.710276569236} H5 32 0.0 1 8 {} {0.334347476938 0.177427731748 0.0410558915635} O7 33 0.0 1 1 {} {0.933399517645 0.173912047968 0.101104259531} H6 34 0.0 1 8 {} {0.0845253258438 0.179402952424 0.714119872792} O8 35 0.0 1 1 {} {0.184018612252 0.175727617915 0.654307435445} H7 36 0.0 1 14 {} {0.349113742076 0.307647831595 0.0628109758418} Si22 37 0.0 1 14 {} {0.349694712093 0.384965280414 0.443593605317} Si23 38 0.0 1 14 {} {0.599168411114 0.307825048311 0.192630370384} Si24 39 0.0 1 14 {} {0.600243694291 0.383795527251 0.318022184662} Si25 40 0.0 1 14 {} {0.353780812299 0.541571278521 0.43455116071} Si26 41 0.0 1 14 {} {0.606650643743 0.540094477045 0.310617068095} Si27 42 0.0 1 14 {} {0.352734969297 0.4588660945 0.0679374179692} Si28 43 0.0 1 14 {} {0.345238760221 0.229474794802 0.441988553158} Si29 44 0.0 1 14 {} {0.601712355463 0.460164144563 0.197220182821} Si30 45 0.0 1 14 {} {0.595402645622 0.229374077011 0.313922945995} Si31 46 0.0 1 8 {} {0.862704684246 0.592490706771 0.534233164404} O9 47 0.0 1 1 {} {0.947747070959 0.621375012882 0.526956142373} H8 48 0.0 1 8 {} {0.614576266008 0.591075518699 0.211633566309} O10 49 0.0 1 1 {} {0.514459185661 0.594540436909 0.151367648444} H9 50 0.0 1 8 {} {0.834241729288 0.178370284023 0.541016926438} O11 51 0.0 1 1 {} {0.433506181998 0.174681191356 0.60088001902} H10 52 0.0 1 8 {} {0.584570467704 0.177687033906 0.215911896069} O12 53 0.0 1 1 {} {0.683510481158 0.174135106979 0.155740991363} H11 54 0.0 1 14 {} {0.348806322822 0.307755019887 0.564696053601} Si32 55 0.0 1 14 {} {0.350505097799 0.384484879074 0.939818006579} Si33 56 0.0 1 14 {} {0.599135380088 0.308395633461 0.693533140806} Si34 57 0.0 1 14 {} {0.599908138973 0.386468939648 0.812124002704} Si35 58 0.0 1 14 {} {0.350884578072 0.536879533385 0.951717189899} Si36 59 0.0 1 14 {} {0.59946420651 0.539893640235 0.823226577919} Si37 60 0.0 1 14 {} {0.350812882713 0.46397518385 0.561705371856} Si38 61 0.0 1 14 {} {0.345575479099 0.228991403884 0.942729181452} Si39 62 0.0 1 14 {} {0.601155839857 0.464698856545 0.691647304587} Si40 63 0.0 1 14 {} {0.595467106559 0.22971909962 0.814728259155} Si41 64 0.0 1 8 {} {0.861797043672 0.58981113519 0.0437776667664} O13 65 0.0 1 1 {} {0.763287614731 0.594028047816 0.104670276695} H12 66 0.0 1 8 {} {0.596013980076 0.595816885346 0.743967106748} O14 67 0.0 1 14 {} {0.599816048256 0.660245746034 0.744298353546} Si42 68 0.0 1 8 {} {0.834442526168 0.177437412206 0.0409263397017} O15 69 0.0 1 1 {} {0.433361177986 0.174000854077 0.101202773692} H13 70 0.0 1 8 {} {0.584347121354 0.178851292052 0.714489181747} O16 71 0.0 1 1 {} {0.683670624559 0.175440083251 0.654437472878} H14 72 0.0 1 7 {} {0.450428062233 0.686074420272 0.643732355605} N 73 0.0 1 1 {} {0.439509857301 0.75089174891 0.651886579467} H16 74 0.0 1 9 {} {0.794743861024 0.678953965786 0.72017754067} F4 75 0.0 1 9 {} {0.291980587043 0.677721558488 0.381894736196} F5 76 0.0 1 9 {} {0.54693489178 0.680391328071 0.878189289044} F3 77 0.0 1 9 {} {0.133509858026 0.666939279106 0.574688545423} F1 78 0.0 1 9 {} {0.434694662152 0.788451884046 0.661295509422} F2 79 0.0 1 9 {} {0.570190084251 0.692289482847 0.487735684489} 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 58 42 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 2 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 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 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {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