#MD System 2.0 @Title neb0_image01 @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 {} {0.202581148917 0.529349516774 0.305322228292} C1 1 1 14 {} {0.25635411249 0.491912717914 0.263637113609} Si1 2 1 14 {} {0.155892022941 0.537529572581 0.224470985878} Si2 3 1 8 {} {0.268759563037 0.524369488474 0.165351439814} O1 4 1 8 {} {0.296744351722 0.511831837284 0.333928143728} O2 5 1 6 {} {0.254385115037 0.398769206807 0.257013049749} C2 6 1 6 {} {0.124172594434 0.458026460932 0.206944664986} C3 7 1 8 {} {0.180241038077 0.563072780122 0.129962239187} O3 8 1 8 {} {0.120744454044 0.598478488779 0.252627681314} O4 9 1 14 {} {0.348027334411 0.541449274139 0.339781352671} Si3 10 1 7 {} {0.382881256041 0.47879063602 0.381878508822} N1 11 1 14 {} {0.43725454227 0.476777413164 0.340928487262} Si4 12 1 14 {} {0.362413520637 0.424247203416 0.464276603939} Si5 13 1 7 {} {0.332950769986 0.461704450717 0.549616281766} N2 14 1 7 {} {0.459363448344 0.556344474674 0.347396549427} N3 15 1 1 {} {0.190874686787 0.50074656414 0.363702470699} H1 16 1 1 {} {0.210565470126 0.580224260641 0.329160000966} H2 17 1 1 {} {0.243551041935 0.545542848851 0.134716899551} H3 18 1 1 {} {0.249197260415 0.375517013576 0.32260988997} H4 19 1 1 {} {0.286063545932 0.379516972626 0.230409836932} H5 20 1 1 {} {0.227581106248 0.38191124035 0.21232814533} H6 21 1 1 {} {0.097694515589 0.464528551656 0.156843350908} H7 22 1 1 {} {0.108554175954 0.440563154276 0.269201322316} H8 23 1 1 {} {0.146432728829 0.418012997447 0.18339650504} H9 24 1 1 {} {0.161680555847 0.586743606244 0.0873582434463} H10 25 1 1 {} {0.0921466780294 0.5859589385 0.278000650733} H11 26 1 1 {} {0.364443693281 0.561634021486 0.25039607986} H12 27 1 1 {} {0.346688206015 0.600028188463 0.400761292991} H13 28 1 1 {} {0.460973589248 0.424041756657 0.392917329785} H14 29 1 1 {} {0.439153094111 0.459505765669 0.244237044597} H15 30 1 1 {} {0.330995368 0.375228798793 0.423708697845} H16 31 1 1 {} {0.401879071194 0.389868715259 0.503323979701} H17 32 1 1 {} {0.301381678837 0.478182356464 0.538393634996} H18 33 1 1 {} {0.348765015459 0.492601261442 0.59339966682} H19 34 1 1 {} {0.482119430739 0.571492715885 0.301100821929} H20 35 1 1 {} {0.465348684781 0.578873337879 0.406767543773} H21 36 1 6 {} {0.657681987784 0.637068127055 0.506991845371} C4 37 1 14 {} {0.618233429082 0.572958349534 0.459575379998} Si6 38 1 14 {} {0.655351059808 0.723562980014 0.461819398609} Si7 39 1 8 {} {0.616125992819 0.580990991689 0.349784969266} O5 40 1 8 {} {0.638456623996 0.498437620335 0.484129374441} O6 41 1 6 {} {0.560982641681 0.578816950017 0.508732047613} C5 42 1 6 {} {0.607694417936 0.774014593538 0.506692113192} C6 43 1 8 {} {0.652216442349 0.712229605893 0.351270828994} O7 44 1 8 {} {0.702608706646 0.765676945707 0.477440790597} O8 45 1 14 {} {0.648682491654 0.42039123309 0.456048072546} Si8 46 1 7 {} {0.603187427594 0.368310063564 0.473791348764} N4 47 1 14 {} {0.583529069577 0.319122496298 0.385272316143} Si9 48 1 14 {} {0.578475124253 0.36435377337 0.579997558663} Si10 49 1 7 {} {0.613508150126 0.383307554359 0.667368608964} N5 50 1 7 {} {0.61839183005 0.256370825927 0.347583951878} N6 51 1 1 {} {0.653783793291 0.638479254449 0.580099486362} H22 52 1 1 {} {0.691820213324 0.618703194776 0.494251883131} H23 53 1 1 {} {0.62822722484 0.62333099785 0.327537828006} H24 54 1 1 {} {0.560736952352 0.569262878969 0.580983883049} H25 55 1 1 {} {0.538923119233 0.541816996101 0.477064928661} H26 56 1 1 {} {0.546368503861 0.628589965314 0.497478620957} H27 57 1 1 {} {0.606882340676 0.824497680191 0.477374161186} H28 58 1 1 {} {0.609857031377 0.779501622151 0.57972964297} H29 59 1 1 {} {0.575532848568 0.749951490176 0.491944159518} H30 60 1 1 {} {0.659422749681 0.750048319524 0.313379239013} H31 61 1 1 {} {0.703168172959 0.800100638327 0.522769208054} H32 62 1 1 {} {0.660081418544 0.415269864267 0.359154570872} H33 63 1 1 {} {0.687867223782 0.399691725111 0.510902571959} H34 64 1 1 {} {0.541720461442 0.287356666773 0.417926276858} H35 65 1 1 {} {0.575391815506 0.361818580594 0.305487554262} H36 66 1 1 {} {0.540952196563 0.413300179882 0.586576606143} H37 67 1 1 {} {0.561611252676 0.294596060238 0.591577794367} H38 68 1 1 {} {0.62008769964 0.432142185024 0.681494430193} H39 69 1 1 {} {0.640699371883 0.354565437821 0.68046736795} H40 70 1 1 {} {0.642808424266 0.26723706235 0.302951733621} H41 71 1 1 {} {0.627754781948 0.218053577177 0.388288864377} 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