#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 {} {0.849147052988 0.307745788089 0.0625353316487} Si1 1 0.0 1 14 {} {0.849774561874 0.385307005654 0.444309100018} Si2 2 0.0 1 14 {} {0.0990506474365 0.30749964931 0.192527820221} Si3 3 0.0 1 14 {} {0.0993720941416 0.383471333665 0.317721323219} Si4 4 0.0 1 14 {} {0.858919422982 0.542589526281 0.438680309371} Si5 5 0.0 1 14 {} {0.103056684939 0.537581956116 0.305369624392} Si6 6 0.0 1 14 {} {0.847287370679 0.458937489667 0.0664073602226} Si7 7 0.0 1 14 {} {0.845525791872 0.229840432493 0.442187666889} Si8 8 0.0 1 14 {} {0.0991996453392 0.458547035019 0.192132711274} Si9 9 0.0 1 14 {} {0.0953291301343 0.229083786463 0.313775355337} Si10 10 0.0 1 8 {} {0.327959499076 0.590024326487 0.528460146322} O1 11 0.0 1 14 {} {0.347741358074 0.655473347199 0.519440670285} Si11 12 0.0 1 8 {} {0.11281728771 0.589653380894 0.209340494848} O2 13 0.0 1 1 {} {0.0128277151841 0.594132789087 0.149488835072} H1 14 0.0 1 8 {} {0.334466274202 0.177994477342 0.540540859817} O3 15 0.0 1 1 {} {0.933438102008 0.175186744845 0.60118225045} H2 16 0.0 1 8 {} {0.0842328125655 0.177345830247 0.215978373406} O4 17 0.0 1 1 {} {0.183194871556 0.173810092618 0.155828077295} H3 18 0.0 1 14 {} {0.849697622686 0.308135784072 0.564905330336} Si12 19 0.0 1 14 {} {0.849392071205 0.384426946353 0.938913353907} Si13 20 0.0 1 14 {} {0.0993570719047 0.309214483454 0.694507308313} Si14 21 0.0 1 14 {} {0.100354730822 0.387750219822 0.812941767731} Si15 22 0.0 1 14 {} {0.85225074905 0.537470284513 0.950375408311} Si16 23 0.0 1 14 {} {0.102937383008 0.542586927483 0.82074469428} Si17 24 0.0 1 14 {} {0.851185580932 0.464358091214 0.560741288115} Si18 25 0.0 1 14 {} {0.845505763159 0.229080519352 0.942551676407} Si19 26 0.0 1 14 {} {0.100836552026 0.466039334409 0.690887482725} Si20 27 0.0 1 14 {} {0.0956638318203 0.23021481089 0.814963054258} Si21 28 0.0 1 8 {} {0.362894113434 0.589444290091 0.046593179759} O5 29 0.0 1 1 {} {0.262900682643 0.593976557862 0.106904948354} H4 30 0.0 1 8 {} {0.110004951292 0.60090678306 0.77287784738} O6 31 0.0 1 1 {} {0.0858770620806 0.62656781953 0.713308002313} H5 32 0.0 1 8 {} {0.334482828524 0.177579342029 0.0410561441688} O7 33 0.0 1 1 {} {0.933457485549 0.173991269863 0.101115650939} H6 34 0.0 1 8 {} {0.0846814377894 0.179587133798 0.714107397824} O8 35 0.0 1 1 {} {0.184120012974 0.17583917623 0.654239637522} H7 36 0.0 1 14 {} {0.349179448334 0.307766447957 0.0626732992082} Si22 37 0.0 1 14 {} {0.34994531006 0.384665731489 0.443616556016} Si23 38 0.0 1 14 {} {0.599251866099 0.307929440849 0.192513489197} Si24 39 0.0 1 14 {} {0.600245532537 0.384005421917 0.317785951621} Si25 40 0.0 1 14 {} {0.350531347865 0.539612163594 0.435331888576} Si26 41 0.0 1 14 {} {0.605959751344 0.541997060269 0.312670906071} Si27 42 0.0 1 14 {} {0.353239368232 0.458706220368 0.068351569924} Si28 43 0.0 1 14 {} {0.345209730993 0.229501288112 0.442088101329} Si29 44 0.0 1 14 {} {0.601644468336 0.461094821248 0.198923859542} Si30 45 0.0 1 14 {} {0.595401429402 0.229480794616 0.313917772281} Si31 46 0.0 1 8 {} {0.866972661932 0.592193431859 0.535062088971} O9 47 0.0 1 1 {} {0.9507556429 0.621372454436 0.532765704803} H8 48 0.0 1 8 {} {0.617284056357 0.590617372101 0.208153084039} O10 49 0.0 1 1 {} {0.514792654077 0.595136929993 0.150482450717} H9 50 0.0 1 8 {} {0.834260029889 0.178460972794 0.540984556914} O11 51 0.0 1 1 {} {0.433447074279 0.174670792948 0.600842515177} H10 52 0.0 1 8 {} {0.584638886429 0.177812041434 0.215898165013} O12 53 0.0 1 1 {} {0.683600488487 0.174219714568 0.155748136533} H11 54 0.0 1 14 {} {0.348752668968 0.307710552131 0.564716294998} Si32 55 0.0 1 14 {} {0.350916293329 0.384536602595 0.939459271381} Si33 56 0.0 1 14 {} {0.599110852967 0.30849363204 0.693449344432} Si34 57 0.0 1 14 {} {0.600076751074 0.386560217483 0.81202219818} Si35 58 0.0 1 14 {} {0.352861381607 0.537050589475 0.952796642258} Si36 59 0.0 1 14 {} {0.600066210319 0.541024172492 0.819871999495} Si37 60 0.0 1 14 {} {0.350909454232 0.463110746894 0.561196062929} Si38 61 0.0 1 14 {} {0.345627201961 0.229107305586 0.942714730702} Si39 62 0.0 1 14 {} {0.601093475306 0.464748393611 0.690835043356} Si40 63 0.0 1 14 {} {0.595506954923 0.229837351366 0.814754390045} Si41 64 0.0 1 8 {} {0.862007647617 0.59004894766 0.0438048667133} O13 65 0.0 1 1 {} {0.762993081809 0.594036214878 0.105514475286} H12 66 0.0 1 8 {} {0.594542965406 0.596565001464 0.742701099934} O14 67 0.0 1 14 {} {0.595696428472 0.661597129109 0.741318575204} Si42 68 0.0 1 8 {} {0.834527976776 0.177562015293 0.0409187239556} O15 69 0.0 1 1 {} {0.433497063715 0.174074717232 0.101192361694} H13 70 0.0 1 8 {} {0.584404099765 0.179014264632 0.714458340739} O16 71 0.0 1 1 {} {0.683707205897 0.175538640699 0.65438611707} H14 72 0.0 1 7 {} {0.458720807576 0.68687163028 0.634719160776} N 73 0.0 1 1 {} {0.445476618036 0.746000012716 0.645135060831} H16 74 0.0 1 9 {} {0.793896372097 0.678761662043 0.721764076898} F4 75 0.0 1 9 {} {0.303536104327 0.681930459643 0.39370473857} F5 76 0.0 1 9 {} {0.545162492227 0.68039149147 0.876974493808} F3 77 0.0 1 9 {} {0.142571703523 0.664689081385 0.574988720546} F1 78 0.0 1 9 {} {0.433632733635 0.791501734595 0.663490307815} F2 79 0.0 1 9 {} {0.55144813446 0.693033877687 0.481913654192} 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