#MD System 2.0 @Title neb0_image06 @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 {} {0.848970124314 0.307570254596 0.0630699839176} Si1 1 0.0 1 14 {} {0.849506522213 0.385196426638 0.444119770559} Si2 2 0.0 1 14 {} {0.0989036265535 0.307311363864 0.192395865645} Si3 3 0.0 1 14 {} {0.0988678831545 0.383459359943 0.317908770334} Si4 4 0.0 1 14 {} {0.856708844318 0.541110307224 0.43654108916} Si5 5 0.0 1 14 {} {0.103268855379 0.537578037887 0.307330834503} Si6 6 0.0 1 14 {} {0.848319287992 0.458846957873 0.0663102308221} Si7 7 0.0 1 14 {} {0.845326418776 0.229682355813 0.44198385831} Si8 8 0.0 1 14 {} {0.0995275796637 0.458574153488 0.191626720429} Si9 9 0.0 1 14 {} {0.095146995378 0.228929432831 0.314016079236} Si10 10 0.0 1 8 {} {0.356748865808 0.594592637783 0.517337948701} O1 11 0.0 1 14 {} {0.320192581329 0.656398684069 0.521583107542} Si11 12 0.0 1 8 {} {0.111816103419 0.589960942955 0.210966389119} O2 13 0.0 1 1 {} {0.0124262856137 0.593466535264 0.150084350988} H1 14 0.0 1 8 {} {0.334396262307 0.177965829873 0.540709626207} O3 15 0.0 1 1 {} {0.933363935039 0.175154463333 0.601320677034} H2 16 0.0 1 8 {} {0.0840641631962 0.177126298447 0.216012831072} O4 17 0.0 1 1 {} {0.183062212657 0.173748221907 0.155826906326} H3 18 0.0 1 14 {} {0.849379132263 0.30792599106 0.565116234916} Si12 19 0.0 1 14 {} {0.849330695424 0.384226146644 0.938840299831} Si13 20 0.0 1 14 {} {0.099145777281 0.308764705568 0.69384354846} Si14 21 0.0 1 14 {} {0.0999330671536 0.387092500738 0.813383271459} Si15 22 0.0 1 14 {} {0.850201170062 0.537303990858 0.948508114475} Si16 23 0.0 1 14 {} {0.100617026962 0.541923344368 0.824884195608} Si17 24 0.0 1 14 {} {0.850848073838 0.464055110686 0.562094407322} Si18 25 0.0 1 14 {} {0.845358793833 0.228922927153 0.942446703705} Si19 26 0.0 1 14 {} {0.0997347071926 0.466004605076 0.691660960985} Si20 27 0.0 1 14 {} {0.0954870347569 0.22994207149 0.815090433263} Si21 28 0.0 1 8 {} {0.364253240946 0.589158095219 0.0463972129187} O5 29 0.0 1 1 {} {0.263361588949 0.593574124967 0.1054724419} H4 30 0.0 1 8 {} {0.136118545687 0.602721519577 0.771176171417} O6 31 0.0 1 1 {} {0.0578297376233 0.622791455693 0.716458025346} H5 32 0.0 1 8 {} {0.334211201446 0.177261547719 0.0410209588439} O7 33 0.0 1 1 {} {0.933283382388 0.173879629631 0.101127337765} H6 34 0.0 1 8 {} {0.0844107690277 0.179167717519 0.714251186927} O8 35 0.0 1 1 {} {0.183889086558 0.175644827835 0.654351198481} H7 36 0.0 1 14 {} {0.349062183565 0.307558084411 0.0631822936119} Si22 37 0.0 1 14 {} {0.34945843292 0.385108889222 0.443395040422} Si23 38 0.0 1 14 {} {0.599069102722 0.307685315913 0.192423438489} Si24 39 0.0 1 14 {} {0.600040436452 0.383625192377 0.318514158074} Si25 40 0.0 1 14 {} {0.354396379619 0.539622620013 0.431921946798} Si26 41 0.0 1 14 {} {0.606794676085 0.539451641746 0.310346043402} Si27 42 0.0 1 14 {} {0.352034607467 0.458821451028 0.0680408682555} Si28 43 0.0 1 14 {} {0.345175333481 0.229448548948 0.441806442853} Si29 44 0.0 1 14 {} {0.601361219873 0.45968642178 0.195421336751} Si30 45 0.0 1 14 {} {0.595316794789 0.229279241317 0.314062957313} Si31 46 0.0 1 8 {} {0.85816952577 0.592984146622 0.532775334529} O9 47 0.0 1 1 {} {0.94477742114 0.62107023458 0.523531552401} H8 48 0.0 1 8 {} {0.613853035638 0.591152959155 0.212463135655} O10 49 0.0 1 1 {} {0.513906759097 0.593994494527 0.151539660475} H9 50 0.0 1 8 {} {0.834169639029 0.178272662128 0.541070553989} O11 51 0.0 1 1 {} {0.433474602359 0.174719996886 0.600983812538} H10 52 0.0 1 8 {} {0.584450743488 0.177515217818 0.215943230755} O12 53 0.0 1 1 {} {0.6833912403 0.174075734378 0.155724834014} H11 54 0.0 1 14 {} {0.348756322293 0.307756762531 0.564921966902} Si32 55 0.0 1 14 {} {0.350255449459 0.384376154446 0.939507406754} Si33 56 0.0 1 14 {} {0.598998753848 0.308291625771 0.693208783224} Si34 57 0.0 1 14 {} {0.59966864596 0.386346629516 0.812624712861} Si35 58 0.0 1 14 {} {0.348676887706 0.536679016494 0.950889297154} Si36 59 0.0 1 14 {} {0.597672096912 0.539357499233 0.824833963654} Si37 60 0.0 1 14 {} {0.350281613696 0.463992479601 0.563165478252} Si38 61 0.0 1 14 {} {0.345424815646 0.228909767363 0.942613215398} Si39 62 0.0 1 14 {} {0.601009308256 0.464637764274 0.691258144848} Si40 63 0.0 1 14 {} {0.595315765088 0.229625162941 0.814942827832} Si41 64 0.0 1 8 {} {0.861926266174 0.589909161126 0.0439137438959} O13 65 0.0 1 1 {} {0.762839791262 0.593914609389 0.104612939195} H12 66 0.0 1 8 {} {0.594171558661 0.595938140742 0.743776282769} O14 67 0.0 1 14 {} {0.603948422488 0.658936990291 0.741206932717} Si42 68 0.0 1 8 {} {0.834342388302 0.177291599429 0.0408869753371} O15 69 0.0 1 1 {} {0.4332217604 0.173945764392 0.101221702916} H13 70 0.0 1 8 {} {0.584268552512 0.178679992959 0.71456999714} O16 71 0.0 1 1 {} {0.683603634668 0.175390307132 0.654461422685} H14 72 0.0 1 7 {} {0.470395442949 0.686862554558 0.621340648545} N 73 0.0 1 1 {} {0.435043599922 0.751875230485 0.653803764299} H16 74 0.0 1 9 {} {0.797279403562 0.679103361232 0.719260670853} F4 75 0.0 1 9 {} {0.312668533422 0.677356173305 0.384294927706} F5 76 0.0 1 9 {} {0.545561385306 0.681277758681 0.871429513428} F3 77 0.0 1 9 {} {0.127538678214 0.66878726994 0.571928990656} F1 78 0.0 1 9 {} {0.431981065438 0.789294431011 0.664874044562} F2 79 0.0 1 9 {} {0.584280832734 0.704792677013 0.51628859682} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 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