#MD System 2.0 @Title neb0_image02 @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 {} {0.848082728618 0.306880378782 0.0631742863808} Si1 1 0.0 1 14 {} {0.848413255937 0.385074664555 0.444729542717} Si2 2 0.0 1 14 {} {0.0979664401962 0.306844511935 0.193089861544} Si3 3 0.0 1 14 {} {0.0982201857713 0.383034706779 0.317920212987} Si4 4 0.0 1 14 {} {0.854886757651 0.541146666927 0.435664937617} Si5 5 0.0 1 14 {} {0.103395614235 0.537227130867 0.308005801087} Si6 6 0.0 1 14 {} {0.848790025835 0.458149718981 0.0653067535639} Si7 7 0.0 1 14 {} {0.844523523542 0.229074753232 0.442053009205} Si8 8 0.0 1 14 {} {0.0992210430652 0.458221289753 0.192929135589} Si9 9 0.0 1 14 {} {0.094492608652 0.228384904225 0.314142294275} Si10 10 0.0 1 8 {} {0.362356415416 0.594028433771 0.518756598294} O1 11 0.0 1 14 {} {0.338365894693 0.657621902694 0.52379589569} Si11 12 0.0 1 8 {} {0.111604120512 0.589541352868 0.212191483978} O2 13 0.0 1 1 {} {0.0119843903248 0.593289333517 0.151896806086} H1 14 0.0 1 8 {} {0.33362781328 0.177711183638 0.541385488687} O3 15 0.0 1 1 {} {0.932819048915 0.174653403768 0.60182512765} H2 16 0.0 1 8 {} {0.0833910022399 0.176719554126 0.21598772066} O4 17 0.0 1 1 {} {0.182439933359 0.173231606673 0.155866158353} H3 18 0.0 1 14 {} {0.848278536978 0.307497967228 0.564372099278} Si12 19 0.0 1 14 {} {0.849144561925 0.383351182101 0.939050731642} Si13 20 0.0 1 14 {} {0.0982462872901 0.307767633595 0.693555451142} Si14 21 0.0 1 14 {} {0.0992170988865 0.385744835116 0.812071913599} Si15 22 0.0 1 14 {} {0.848256986793 0.536865286467 0.949224730669} Si16 23 0.0 1 14 {} {0.0981984112305 0.541551371191 0.82297581477} Si17 24 0.0 1 14 {} {0.849914307798 0.463934864926 0.562343010555} Si18 25 0.0 1 14 {} {0.844584063459 0.228313440923 0.942697718784} Si19 26 0.0 1 14 {} {0.0988699199653 0.464256638894 0.692735068004} Si20 27 0.0 1 14 {} {0.0945919828704 0.229159651673 0.814944122743} Si21 28 0.0 1 8 {} {0.361433651223 0.58865784679 0.0462728299021} O5 29 0.0 1 1 {} {0.261707975071 0.593326872559 0.106065677221} H4 30 0.0 1 8 {} {0.119476366943 0.597438225464 0.747234553948} O6 31 0.0 1 1 {} {0.0258494807368 0.622716305732 0.735676151221} H5 32 0.0 1 8 {} {0.333451740773 0.176689274985 0.0411120165621} O7 33 0.0 1 1 {} {0.932574057891 0.173314624307 0.101354114407} H6 34 0.0 1 8 {} {0.0836510790473 0.178220993877 0.714772602763} O8 35 0.0 1 1 {} {0.183026023728 0.174796849812 0.654750952569} H7 36 0.0 1 14 {} {0.347959791912 0.306854919688 0.0632300968363} Si22 37 0.0 1 14 {} {0.348688864127 0.384774596797 0.444279007788} Si23 38 0.0 1 14 {} {0.598017684958 0.306845822364 0.192929106263} Si24 39 0.0 1 14 {} {0.598843467888 0.383013931801 0.317715969915} Si25 40 0.0 1 14 {} {0.354825240393 0.540047938816 0.434254660871} Si26 41 0.0 1 14 {} {0.605679647123 0.537618428845 0.307957938441} Si27 42 0.0 1 14 {} {0.349872467658 0.458089578678 0.0661051293594} Si28 43 0.0 1 14 {} {0.344591656331 0.228914051986 0.441961203962} Si29 44 0.0 1 14 {} {0.60002101742 0.458448303104 0.193758308172} Si30 45 0.0 1 14 {} {0.594555516119 0.228389007738 0.313995234664} Si31 46 0.0 1 8 {} {0.847491168699 0.595182853241 0.5212961742} O9 47 0.0 1 1 {} {0.942521986223 0.620989820909 0.520758523547} H8 48 0.0 1 8 {} {0.613810212963 0.589295441132 0.210616853472} O10 49 0.0 1 1 {} {0.51302346631 0.593320396104 0.151192951425} H9 50 0.0 1 8 {} {0.833539967228 0.177939387754 0.541657788529} O11 51 0.0 1 1 {} {0.43278500829 0.17440884622 0.601618375001} H10 52 0.0 1 8 {} {0.5836333071 0.1767124401 0.215881626034} O12 53 0.0 1 1 {} {0.682582868557 0.173242636022 0.155660570867} H11 54 0.0 1 14 {} {0.348082865667 0.307289406322 0.564370961549} Si32 55 0.0 1 14 {} {0.348990886878 0.3833742867 0.939394402996} Si33 56 0.0 1 14 {} {0.59820043012 0.307636560794 0.693369526905} Si34 57 0.0 1 14 {} {0.599055125014 0.385514395153 0.812342142009} Si35 58 0.0 1 14 {} {0.34859555457 0.536593261574 0.950278720333} Si36 59 0.0 1 14 {} {0.597064436221 0.540027208508 0.823348999793} Si37 60 0.0 1 14 {} {0.349554234319 0.463351951962 0.563244057484} Si38 61 0.0 1 14 {} {0.34445411931 0.228291979328 0.942790359977} Si39 62 0.0 1 14 {} {0.599934505985 0.463989641987 0.692546409048} Si40 63 0.0 1 14 {} {0.594514621485 0.229083234445 0.815007585711} Si41 64 0.0 1 8 {} {0.862222664705 0.589247221961 0.0444292848682} O13 65 0.0 1 1 {} {0.762414277808 0.593393741563 0.104567213863} H12 66 0.0 1 8 {} {0.591785185178 0.59479573875 0.742334595271} O14 67 0.0 1 14 {} {0.60300015074 0.658738660901 0.742186140505} Si42 68 0.0 1 8 {} {0.833644847354 0.17673886077 0.0410847548345} O15 69 0.0 1 1 {} {0.432487203827 0.173224972774 0.101261653148} H13 70 0.0 1 8 {} {0.58353396924 0.178130343103 0.714885922554} O16 71 0.0 1 1 {} {0.682895239608 0.174791702586 0.654805915743} H14 72 0.0 1 7 {} {0.464508397872 0.682931176168 0.635702982486} N 73 0.0 1 1 {} {0.456374226516 0.724014497534 0.639525456202} H16 74 0.0 1 9 {} {0.805264522512 0.673508936635 0.72134596032} F4 75 0.0 1 9 {} {0.378367400159 0.679450020325 0.389258566869} F5 76 0.0 1 9 {} {0.558693862651 0.680973758402 0.876429498022} F3 77 0.0 1 9 {} {0.132329459638 0.669593453392 0.546214792329} F1 78 0.0 1 9 {} {0.431831430214 0.792543062949 0.661229784607} F2 79 0.0 1 9 {} {0.570746360248 0.778678466383 0.547495445788} 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 2 0 0 0 38 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 79 78 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 2 {1 0 0} 0 21 0 38 {0 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 78 79 {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 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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