#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 WyckoffPosition int -1 @end @data 6 {} {0.205442743873 0.529023473598 0.309253550059} C1 1 1 14 {} {0.259299982229 0.491359699507 0.26820014993} Si1 2 1 14 {} {0.158404085643 0.537053232411 0.229102436471} Si2 3 1 8 {} {0.271632130667 0.522529185303 0.169180306522} O1 4 1 8 {} {0.299439386764 0.512162962117 0.338433826459} O2 5 1 6 {} {0.256908573442 0.39816415835 0.262161108282} C2 6 1 6 {} {0.126688697421 0.457514490584 0.211584193706} C3 7 1 8 {} {0.18228890309 0.562752108082 0.134104853858} O3 8 1 8 {} {0.123249673117 0.598009753235 0.257969534513} O4 9 1 14 {} {0.350774066531 0.541192910719 0.344768332775} Si3 10 1 7 {} {0.385600760837 0.478658684115 0.3864579273} N1 11 1 14 {} {0.439648641204 0.475736420679 0.343932405293} Si4 12 1 14 {} {0.365399241694 0.424009566397 0.468745185909} Si5 13 1 7 {} {0.33574399741 0.461033245519 0.554266256444} N2 14 1 7 {} {0.4618304372 0.555253111658 0.348855755595} N3 15 1 1 {} {0.193782367322 0.501071442706 0.368254425409} H1 16 1 1 {} {0.213305999566 0.579971953921 0.332968968766} H2 17 1 1 {} {0.246539364875 0.544415651032 0.139088875545} H3 18 1 1 {} {0.251450279932 0.37473423119 0.327638760263} H4 19 1 1 {} {0.288583579115 0.378967263988 0.235383346262} H5 20 1 1 {} {0.230166928536 0.381669985046 0.216913708841} H6 21 1 1 {} {0.100425850445 0.464163083403 0.161132623086} H7 22 1 1 {} {0.11078928912 0.439870990417 0.273427311464} H8 23 1 1 {} {0.148918107059 0.417486944723 0.188039769725} H9 24 1 1 {} {0.163624739058 0.586416056692 0.0918674606084} H10 25 1 1 {} {0.0947865218486 0.585181104347 0.283168503481} H11 26 1 1 {} {0.367417467292 0.561770844467 0.255592485152} H12 27 1 1 {} {0.349363286462 0.599875486734 0.406129329519} H13 28 1 1 {} {0.463629662077 0.423128203099 0.395935063733} H14 29 1 1 {} {0.441397882977 0.457780542504 0.247355080832} H15 30 1 1 {} {0.334239908127 0.374679540749 0.427986743275} H16 31 1 1 {} {0.40502400361 0.389713391559 0.50803059047} H17 32 1 1 {} {0.304042020904 0.476874493609 0.541850312227} H18 33 1 1 {} {0.351007501331 0.492533540436 0.597855818027} H19 34 1 1 {} {0.485303611925 0.570002682272 0.30427210311} H20 35 1 1 {} {0.46643928069 0.578452155663 0.408614535616} H21 36 1 6 {} {0.65544912386 0.63775103458 0.50252193441} C4 37 1 14 {} {0.615762498119 0.573639970343 0.456420307429} Si6 38 1 14 {} {0.65246879215 0.724414900431 0.457448919298} Si7 39 1 8 {} {0.611581984107 0.582162037891 0.347093767372} O5 40 1 8 {} {0.636158801169 0.499050758951 0.479432485008} O6 41 1 6 {} {0.559017632255 0.579221114822 0.506958311418} C5 42 1 6 {} {0.604872162055 0.774845306904 0.502607324175} C6 43 1 8 {} {0.648115469158 0.713190436583 0.347183597868} O7 44 1 8 {} {0.699949772726 0.76660298111 0.471803376607} O8 45 1 14 {} {0.646360589552 0.420943099853 0.451646260771} Si8 46 1 7 {} {0.601046159467 0.368548449219 0.468899908982} N4 47 1 14 {} {0.58094780376 0.319912965031 0.379894384065} Si9 48 1 14 {} {0.576351945083 0.364290024833 0.575477748778} Si10 49 1 7 {} {0.611193441766 0.38420463257 0.660822316716} N5 50 1 7 {} {0.615037311123 0.256078975833 0.34136273168} N6 51 1 1 {} {0.651641445453 0.639112711389 0.575661559424} H22 52 1 1 {} {0.689660036341 0.619887562662 0.489163598623} H23 53 1 1 {} {0.624819943636 0.62336401953 0.323844740754} H24 54 1 1 {} {0.558728816572 0.570676537229 0.579424422399} H25 55 1 1 {} {0.537634341108 0.541063935704 0.475791679119} H26 56 1 1 {} {0.543978440776 0.628486105475 0.493950932483} H27 57 1 1 {} {0.60421250135 0.825257092341 0.473040169054} H28 58 1 1 {} {0.607115340703 0.780664598345 0.57552865465} H29 59 1 1 {} {0.572691361995 0.75078611048 0.487942890139} H30 60 1 1 {} {0.656596600465 0.750092407293 0.308899769553} H31 61 1 1 {} {0.700424110002 0.80086144704 0.517786728036} H32 62 1 1 {} {0.657614880954 0.415907988027 0.355074690657} H33 63 1 1 {} {0.685462040949 0.400720203996 0.506492351438} H34 64 1 1 {} {0.53917016272 0.28872383103 0.413942795233} H35 65 1 1 {} {0.573155561491 0.363114580075 0.301099910532} H36 66 1 1 {} {0.538315147711 0.412510920028 0.582815730865} H37 67 1 1 {} {0.559674276452 0.294512288464 0.587451880882} H38 68 1 1 {} {0.617092708295 0.433434957769 0.677957348972} H39 69 1 1 {} {0.638701526091 0.354893668221 0.676875179722} H40 70 1 1 {} {0.639776086287 0.267161712541 0.297457374158} H41 71 1 1 {} {0.624310164818 0.218000955261 0.381510956123} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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