#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 {} {0.205194306528 0.528925160253 0.309585792462} C1 1 1 14 {} {0.259085629051 0.491628515487 0.268219197649} Si1 2 1 14 {} {0.158362565823 0.53716158426 0.228952526996} Si2 3 1 8 {} {0.271540483637 0.523838752546 0.169722565487} O1 4 1 8 {} {0.299207901884 0.511966387428 0.338687382674} O2 5 1 6 {} {0.256980692303 0.398403659728 0.261534944785} C2 6 1 6 {} {0.126770124314 0.457493299397 0.2112813917} C3 7 1 8 {} {0.182596229843 0.562703177367 0.134322679197} O3 8 1 8 {} {0.123139394532 0.598191809196 0.256742516586} O4 9 1 14 {} {0.350624555879 0.541149770981 0.34439835323} Si3 10 1 7 {} {0.385437650442 0.478375044016 0.386038107869} N1 11 1 14 {} {0.43965409012 0.476054098083 0.344290295045} Si4 12 1 14 {} {0.365137320577 0.423925727146 0.468789859003} Si5 13 1 7 {} {0.335633289226 0.4612544719 0.554108012031} N2 14 1 7 {} {0.461632691475 0.555749921108 0.350174907431} N3 15 1 1 {} {0.193568464728 0.500451733007 0.368153634862} H1 16 1 1 {} {0.213123041158 0.579791592227 0.333517024138} H2 17 1 1 {} {0.24632883549 0.544826337474 0.139198661382} H3 18 1 1 {} {0.251723353775 0.375101116688 0.32712273434} H4 19 1 1 {} {0.288685997075 0.37931163881 0.234787113933} H5 20 1 1 {} {0.230218496604 0.381664369146 0.216569735905} H6 21 1 1 {} {0.100359750993 0.463917141339 0.16101896583} H7 22 1 1 {} {0.111075969654 0.439807245677 0.273344888886} H8 23 1 1 {} {0.149119155024 0.417587842237 0.187677903442} H9 24 1 1 {} {0.164041824557 0.586279119532 0.0915523117403} H10 25 1 1 {} {0.094688583683 0.585637682934 0.28244036278} H11 26 1 1 {} {0.367088648504 0.561277505676 0.254883541977} H12 27 1 1 {} {0.349397493157 0.599825023047 0.405474265672} H13 28 1 1 {} {0.46360208524 0.423651368921 0.396750061445} H14 29 1 1 {} {0.44164931171 0.458531248258 0.247736016628} H15 30 1 1 {} {0.333780174782 0.374762977424 0.42811872501} H16 31 1 1 {} {0.404646028451 0.389537233289 0.507794831513} H17 32 1 1 {} {0.304073446871 0.477619710798 0.542473356416} H18 33 1 1 {} {0.351390576462 0.492291502279 0.597875259379} H19 34 1 1 {} {0.484841559693 0.570674502404 0.304683889546} H20 35 1 1 {} {0.466987319294 0.57838602769 0.409846251408} H21 36 1 6 {} {0.655265304955 0.637401702089 0.502638351077} C4 37 1 14 {} {0.61569035453 0.573388121071 0.455583831717} Si6 38 1 14 {} {0.652580460317 0.723950839761 0.45775121841} Si7 39 1 8 {} {0.612516435197 0.581830397279 0.346032456836} O5 40 1 8 {} {0.635774157905 0.498795401724 0.479249281986} O6 41 1 6 {} {0.558790250681 0.579348989652 0.505454270218} C5 42 1 6 {} {0.605058488797 0.774502109313 0.502788749031} C6 43 1 8 {} {0.648342301002 0.713021128324 0.347405105066} O7 44 1 8 {} {0.700186597626 0.765829806503 0.472869609193} O8 45 1 14 {} {0.646097422034 0.420812705858 0.451789166009} Si8 46 1 7 {} {0.600822211537 0.368363564082 0.4688468131} N4 47 1 14 {} {0.581283005207 0.31947123394 0.380854761261} Si9 48 1 14 {} {0.575819695497 0.364743041463 0.575157368885} Si10 49 1 7 {} {0.611910842864 0.384300276975 0.66257052164} N5 50 1 7 {} {0.615453476916 0.256513443741 0.342387247443} N6 51 1 1 {} {0.651218899478 0.638746997949 0.575703531006} H22 52 1 1 {} {0.689403950216 0.619074964652 0.489870484566} H23 53 1 1 {} {0.625345897391 0.623678349444 0.323554926367} H24 54 1 1 {} {0.558548515378 0.570036929414 0.577736230291} H25 55 1 1 {} {0.537122854386 0.54186692118 0.473711307659} H26 56 1 1 {} {0.544048479215 0.629002075703 0.493548712781} H27 57 1 1 {} {0.604350115174 0.824887280585 0.473180553481} H28 58 1 1 {} {0.607136304742 0.780166561821 0.575742861442} H29 59 1 1 {} {0.572952386404 0.750393244268 0.487737325774} H30 60 1 1 {} {0.656543620171 0.750269117832 0.309274035748} H31 61 1 1 {} {0.700584133278 0.80039669572 0.518000707959} H32 62 1 1 {} {0.657484198437 0.415716212492 0.354588151089} H33 63 1 1 {} {0.685301157646 0.400491601884 0.506405854106} H34 64 1 1 {} {0.53926605559 0.287963461529 0.413870501574} H35 65 1 1 {} {0.572986046813 0.362552934365 0.301225149795} H36 66 1 1 {} {0.5385280091 0.413688779163 0.582708259795} H37 67 1 1 {} {0.55912112385 0.295119256762 0.587696739647} H38 68 1 1 {} {0.617305330395 0.432366106485 0.677596412073} H39 69 1 1 {} {0.63798218443 0.355156046931 0.676219882938} H40 70 1 1 {} {0.640336799158 0.267466028436 0.298511710796} H41 71 1 1 {} {0.625133782644 0.21823627961 0.38367804264} 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