#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 {} {0.205441593162 0.52898088778 0.309412956928} C1 1 1 14 {} {0.259132277216 0.49130890718 0.268085969117} Si1 2 1 14 {} {0.158414621813 0.537105520987 0.229074790878} Si2 3 1 8 {} {0.271615985363 0.522903964173 0.169262905621} O1 4 1 8 {} {0.299423448166 0.512152726594 0.338598352922} O2 5 1 6 {} {0.256941790252 0.398230649564 0.262007404702} C2 6 1 6 {} {0.126706253074 0.457485179208 0.211514822873} C3 7 1 8 {} {0.182409458077 0.562763196919 0.134308412885} O3 8 1 8 {} {0.123258349793 0.598058469632 0.2576466912} O4 9 1 14 {} {0.350725822127 0.541236167138 0.344743657788} Si3 10 1 7 {} {0.385591703835 0.478463121225 0.386378110991} N1 11 1 14 {} {0.439634263523 0.475878413902 0.343959335775} Si4 12 1 14 {} {0.365367932768 0.423940840417 0.468945408622} Si5 13 1 7 {} {0.335669723293 0.461097937411 0.554039977992} N2 14 1 7 {} {0.461789754911 0.555425219282 0.349378628589} N3 15 1 1 {} {0.193756389783 0.500917377507 0.368279747494} H1 16 1 1 {} {0.213264680338 0.579933931494 0.333063957654} H2 17 1 1 {} {0.246513855108 0.544416398886 0.13918881051} H3 18 1 1 {} {0.251517324309 0.374872918334 0.327528608001} H4 19 1 1 {} {0.288605147882 0.379004401291 0.235261193859} H5 20 1 1 {} {0.230198302473 0.381634372413 0.216869415453} H6 21 1 1 {} {0.100401150382 0.464101260578 0.161106893758} H7 22 1 1 {} {0.11086549196 0.439863716119 0.27343238503} H8 23 1 1 {} {0.148975727412 0.417505830868 0.187980620759} H9 24 1 1 {} {0.163696127685 0.586419308075 0.0917278430196} H10 25 1 1 {} {0.0947470348126 0.585272473666 0.283026730534} H11 26 1 1 {} {0.367370226819 0.561686685802 0.255285111825} H12 27 1 1 {} {0.349351969402 0.599857353881 0.406026197902} H13 28 1 1 {} {0.463661632909 0.42320507979 0.396205024291} H14 29 1 1 {} {0.441430033669 0.457936203286 0.247414912837} H15 30 1 1 {} {0.334122734167 0.374662284846 0.42802261058} H16 31 1 1 {} {0.404883965491 0.389757703468 0.507949239124} H17 32 1 1 {} {0.30410788104 0.476994919851 0.542052919641} H18 33 1 1 {} {0.351127722754 0.492469856343 0.597870265906} H19 34 1 1 {} {0.48526699926 0.570145418832 0.304245733114} H20 35 1 1 {} {0.466567962868 0.578413554652 0.408821513522} H21 36 1 6 {} {0.65540459263 0.637764559444 0.502555887739} C4 37 1 14 {} {0.615774185096 0.573496306612 0.456305906327} Si6 38 1 14 {} {0.652541237055 0.724410248645 0.457657447768} Si7 39 1 8 {} {0.611786341964 0.582022738348 0.346763087726} O5 40 1 8 {} {0.636024269274 0.498974680277 0.479429687423} O6 41 1 6 {} {0.558892401326 0.579252697703 0.506605465344} C5 42 1 6 {} {0.604924098072 0.774776424121 0.502612813359} C6 43 1 8 {} {0.648119130994 0.713066043739 0.347172555911} O7 44 1 8 {} {0.699934993762 0.766524373408 0.472262945228} O8 45 1 14 {} {0.646234399315 0.420979606324 0.451489779351} Si8 46 1 7 {} {0.60093160232 0.368585417422 0.469436609624} N4 47 1 14 {} {0.581002922103 0.319618940319 0.380141014531} Si9 48 1 14 {} {0.576138770942 0.364389464388 0.574868652913} Si10 49 1 7 {} {0.611647777262 0.384133473702 0.661728481953} N5 50 1 7 {} {0.615197210941 0.256427561773 0.341349599581} N6 51 1 1 {} {0.651581297013 0.639082792699 0.575712750568} H22 52 1 1 {} {0.689580600172 0.61965433577 0.48932624227} H23 53 1 1 {} {0.624928016362 0.623521831233 0.323765751301} H24 54 1 1 {} {0.558763011334 0.570519006397 0.578992440877} H25 55 1 1 {} {0.537468260357 0.541253342738 0.475385309007} H26 56 1 1 {} {0.543990281797 0.628573726463 0.493856420055} H27 57 1 1 {} {0.604219629492 0.825143119728 0.473063742651} H28 58 1 1 {} {0.607130562427 0.780528432099 0.575494898652} H29 59 1 1 {} {0.572758923664 0.75071321604 0.487874962389} H30 60 1 1 {} {0.656594830253 0.750219862375 0.308895733903} H31 61 1 1 {} {0.700456880976 0.800608130564 0.517615017268} H32 62 1 1 {} {0.657634564111 0.415874977835 0.354923717922} H33 63 1 1 {} {0.685451003196 0.400621798084 0.506502858396} H34 64 1 1 {} {0.539175008442 0.288560096867 0.413856664689} H35 65 1 1 {} {0.573087043867 0.363073808206 0.300960832937} H36 66 1 1 {} {0.538411901805 0.412728417228 0.58266017028} H37 67 1 1 {} {0.559588570344 0.294653211909 0.587472435092} H38 68 1 1 {} {0.617149984315 0.433039595534 0.677844491311} H39 69 1 1 {} {0.638331010863 0.355258745025 0.676577953228} H40 70 1 1 {} {0.639800630057 0.267219831188 0.297772299456} H41 71 1 1 {} {0.624466658097 0.217929850366 0.382156551646} 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