#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 {} {0.848318525422 0.30703637108 0.0632393911324} Si1 1 0.0 1 14 {} {0.84843293158 0.385200432375 0.444819702337} Si2 2 0.0 1 14 {} {0.0982048409225 0.306948423562 0.193168700608} Si3 3 0.0 1 14 {} {0.0981837201193 0.383167907384 0.318114970323} Si4 4 0.0 1 14 {} {0.854785114041 0.540844916072 0.435789521704} Si5 5 0.0 1 14 {} {0.102930832361 0.537174375352 0.307913981433} Si6 6 0.0 1 14 {} {0.850533291256 0.458459144677 0.0647756669037} Si7 7 0.0 1 14 {} {0.844822845057 0.22915340367 0.442088108583} Si8 8 0.0 1 14 {} {0.0992959927118 0.458244335958 0.193014018702} Si9 9 0.0 1 14 {} {0.0947449849202 0.228436450105 0.314181713934} Si10 10 0.0 1 8 {} {0.356500180844 0.592394066567 0.519864692839} O1 11 0.0 1 14 {} {0.336215075725 0.656228449533 0.525368164299} Si11 12 0.0 1 8 {} {0.111196167252 0.589661869036 0.212455064392} O2 13 0.0 1 1 {} {0.0115314444548 0.593301185109 0.15203827705} H1 14 0.0 1 8 {} {0.333982357604 0.177816479725 0.541333994878} O3 15 0.0 1 1 {} {0.933113314731 0.174696645592 0.60173958365} H2 16 0.0 1 8 {} {0.0837613746347 0.176754096819 0.216039425671} O4 17 0.0 1 1 {} {0.182710855381 0.173296584977 0.155825724224} H3 18 0.0 1 14 {} {0.848629410371 0.307596374133 0.564527258597} Si12 19 0.0 1 14 {} {0.849361697911 0.383559307892 0.938986183012} Si13 20 0.0 1 14 {} {0.0987140457373 0.307956293687 0.693494453972} Si14 21 0.0 1 14 {} {0.0992266145717 0.385988664836 0.812193722277} Si15 22 0.0 1 14 {} {0.850940811184 0.537248938323 0.949176200537} Si16 23 0.0 1 14 {} {0.100756347361 0.541174694127 0.823845228828} Si17 24 0.0 1 14 {} {0.850014043657 0.463961986432 0.56288253355} Si18 25 0.0 1 14 {} {0.844854405918 0.228394856378 0.942603460575} Si19 26 0.0 1 14 {} {0.0987871917606 0.464748454312 0.693280992755} Si20 27 0.0 1 14 {} {0.0949517408512 0.229234633328 0.814928998199} Si21 28 0.0 1 8 {} {0.362008701834 0.588736960225 0.0467103760719} O5 29 0.0 1 1 {} {0.261985747764 0.593514641275 0.106258957194} H4 30 0.0 1 8 {} {0.119590206964 0.597896343902 0.748702418724} O6 31 0.0 1 1 {} {0.0209610823852 0.621865186672 0.738656541952} H5 32 0.0 1 8 {} {0.333863979907 0.176728256353 0.0410538583013} O7 33 0.0 1 1 {} {0.932841883833 0.173379394017 0.101261556349} H6 34 0.0 1 8 {} {0.0840389622582 0.178279507028 0.714762764158} O8 35 0.0 1 1 {} {0.183362854922 0.174852450184 0.654684703143} H7 36 0.0 1 14 {} {0.348131632991 0.306915328913 0.063260936136} Si22 37 0.0 1 14 {} {0.348588060626 0.384973360726 0.444304843471} Si23 38 0.0 1 14 {} {0.598216622575 0.306978301081 0.193059432659} Si24 39 0.0 1 14 {} {0.598848885617 0.383297397719 0.31778028425} Si25 40 0.0 1 14 {} {0.354478771157 0.538819376505 0.432770766308} Si26 41 0.0 1 14 {} {0.606211138416 0.537560626388 0.307991109937} Si27 42 0.0 1 14 {} {0.349734283452 0.457948183288 0.0667115542891} Si28 43 0.0 1 14 {} {0.344830077852 0.229061788413 0.442000613206} Si29 44 0.0 1 14 {} {0.601313813099 0.458510387438 0.192672092328} Si30 45 0.0 1 14 {} {0.59480009089 0.22846937337 0.314137745676} Si31 46 0.0 1 8 {} {0.848091087898 0.594639402153 0.522482559179} O9 47 0.0 1 1 {} {0.940681435681 0.621381310534 0.518410080679} H8 48 0.0 1 8 {} {0.613952495508 0.589616231069 0.211595274115} O10 49 0.0 1 1 {} {0.512839039405 0.593430925342 0.152334140979} H9 50 0.0 1 8 {} {0.833865112256 0.177955053931 0.541552934412} O11 51 0.0 1 1 {} {0.433181436935 0.174506722392 0.601522891566} H10 52 0.0 1 8 {} {0.583938645525 0.176776930482 0.216012051386} O12 53 0.0 1 1 {} {0.682851534253 0.173368030149 0.155751846078} H11 54 0.0 1 14 {} {0.348496721628 0.307491526649 0.564289799816} Si32 55 0.0 1 14 {} {0.348891376928 0.383455692289 0.939337957897} Si33 56 0.0 1 14 {} {0.59846494036 0.30766059802 0.693328378177} Si34 57 0.0 1 14 {} {0.59910413986 0.38542678451 0.812548051697} Si35 58 0.0 1 14 {} {0.349085390847 0.536428522249 0.951354914279} Si36 59 0.0 1 14 {} {0.598167873319 0.538515406064 0.825374729786} Si37 60 0.0 1 14 {} {0.348841753425 0.463289499986 0.563603115331} Si38 61 0.0 1 14 {} {0.344815968475 0.228329590492 0.942716950778} Si39 62 0.0 1 14 {} {0.599649189987 0.463602546017 0.692369849814} Si40 63 0.0 1 14 {} {0.594770671944 0.229111738197 0.814939931994} Si41 64 0.0 1 8 {} {0.86164699133 0.589745062877 0.0443917311497} O13 65 0.0 1 1 {} {0.761709119054 0.59376204231 0.104672055506} H12 66 0.0 1 8 {} {0.593134080725 0.593599900262 0.744164136429} O14 67 0.0 1 14 {} {0.599669955522 0.657704154072 0.743492925253} Si42 68 0.0 1 8 {} {0.833938176878 0.176798697839 0.0409790792364} O15 69 0.0 1 1 {} {0.432803923101 0.173332138056 0.101304730937} H13 70 0.0 1 8 {} {0.583920788859 0.178128851128 0.714887199447} O16 71 0.0 1 1 {} {0.683236217113 0.174819560423 0.654761353757} H14 72 0.0 1 7 {} {0.458913151307 0.682720709321 0.638688881951} N 73 0.0 1 1 {} {0.451757739705 0.723811224625 0.642141854752} H16 74 0.0 1 9 {} {0.800615757154 0.67368955934 0.719967366411} F4 75 0.0 1 9 {} {0.377639932378 0.68038668186 0.392596035145} F5 76 0.0 1 9 {} {0.56032330751 0.679960654972 0.878576451229} F3 77 0.0 1 9 {} {0.12980231606 0.668316128393 0.541950770355} F1 78 0.0 1 9 {} {0.442654986536 0.792267076652 0.652161843687} F2 79 0.0 1 9 {} {0.575280388435 0.783939147086 0.535519200586} 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