#MD System 2.0 @Title neb0_image06 @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 {} {0.367210786669 0.57140412484 0.412297993888} C1 1 1 14 {} {0.344256643693 0.544785050218 0.522939118837} Si1 2 1 14 {} {0.428619462922 0.580627432409 0.408131339844} Si2 3 1 8 {} {0.35759027352 0.601607014688 0.598832426306} O1 4 1 8 {} {0.289352801336 0.542864362724 0.515798893137} O2 5 1 6 {} {0.363374611697 0.459566741922 0.557517719784} C2 6 1 6 {} {0.457506034499 0.49822081729 0.393155892967} C3 7 1 8 {} {0.44213494592 0.615307073802 0.506913427406} O3 8 1 8 {} {0.440868191728 0.632305005742 0.324796655104} O4 9 1 14 {} {0.238973897034 0.547620206469 0.557007954715} Si3 10 1 7 {} {0.219538273101 0.469550837989 0.591082219319} N1 11 1 14 {} {0.197208526756 0.461298407586 0.698549361818} Si4 12 1 14 {} {0.220081114657 0.401884383128 0.515921170181} Si5 13 1 7 {} {0.214012872724 0.422799009248 0.405363360288} N2 14 1 7 {} {0.146754479237 0.500260325521 0.718933819087} N3 15 1 1 {} {0.357510137522 0.535603201738 0.359864666543} H1 16 1 1 {} {0.35199016869 0.619880466509 0.395083354719} H2 17 1 1 {} {0.387534552064 0.619714557844 0.588887573822} H3 18 1 1 {} {0.354751115252 0.421000656123 0.508060169349} H4 19 1 1 {} {0.347656843963 0.445633593343 0.621164772688} H5 20 1 1 {} {0.399711694664 0.458390637342 0.567548575872} H6 21 1 1 {} {0.493613385207 0.505855367229 0.390646568926} H7 22 1 1 {} {0.447426227837 0.473958182343 0.330342838442} H8 23 1 1 {} {0.450093626777 0.46309248005 0.447561682716} H9 24 1 1 {} {0.473154755908 0.628495862349 0.512762606315} H10 25 1 1 {} {0.472125783461 0.630465597468 0.307855324029} H11 26 1 1 {} {0.237493579214 0.592010935885 0.637150897184} H12 27 1 1 {} {0.210215928094 0.575834135733 0.485165775158} H13 28 1 1 {} {0.190557338715 0.388191378338 0.712906292647} H14 29 1 1 {} {0.228791116542 0.490518639077 0.764564815804} H15 30 1 1 {} {0.263363997757 0.365209589019 0.52184453084} H16 31 1 1 {} {0.182437060644 0.357352522414 0.542646898462} H17 32 1 1 {} {0.241046982783 0.437762979752 0.369667290316} H18 33 1 1 {} {0.186086685928 0.44657498531 0.383482902354} H19 34 1 1 {} {0.145991142799 0.549912392493 0.733639801279} H20 35 1 1 {} {0.118755619785 0.486459720159 0.685285656782} H21 36 1 6 {} {0.624993338952 0.621671495191 0.350791529424} C4 37 1 14 {} {0.581628718701 0.560114987781 0.388653536648} Si6 38 1 14 {} {0.618536751316 0.710206315329 0.387242959265} Si7 39 1 8 {} {0.533732479088 0.602171811044 0.383895494981} O5 40 1 8 {} {0.580117922803 0.495978616919 0.320917074057} O6 41 1 6 {} {0.591306533102 0.527016326035 0.503248639415} C5 42 1 6 {} {0.635663876867 0.726863748668 0.504916064972} C6 43 1 8 {} {0.56372071691 0.725793577804 0.376043232124} O7 44 1 8 {} {0.645492960468 0.760065750164 0.317133496887} O8 45 1 14 {} {0.574145895413 0.434679840888 0.248891935449} Si8 46 1 7 {} {0.586623184546 0.356449129819 0.291965503942} N4 47 1 14 {} {0.543057065505 0.299833194924 0.314876246548} Si9 48 1 14 {} {0.641199569326 0.330764497134 0.31680075747} Si10 49 1 7 {} {0.682135597925 0.376965326752 0.265436743582} N5 50 1 7 {} {0.519262966377 0.256542043773 0.22772587953} N6 51 1 1 {} {0.658825447633 0.604429098738 0.367910064149} H22 52 1 1 {} {0.623351409134 0.622186708548 0.277242080702} H23 53 1 1 {} {0.539122039882 0.650902777084 0.379535975372} H24 54 1 1 {} {0.623092414032 0.499769822194 0.507578732325} H25 55 1 1 {} {0.56469767297 0.491953075716 0.522229846331} H26 56 1 1 {} {0.591956700713 0.567310864405 0.553144303207} H27 57 1 1 {} {0.630201275305 0.779602394375 0.523044400611} H28 58 1 1 {} {0.671194449934 0.715374370619 0.514682656604} H29 59 1 1 {} {0.616457485572 0.696177286103 0.552254086198} H30 60 1 1 {} {0.552112551499 0.770952203178 0.372740432615} H31 61 1 1 {} {0.663284588116 0.795766875007 0.342389766581} H32 62 1 1 {} {0.526633879376 0.432192754866 0.219878454571} H33 63 1 1 {} {0.603372094498 0.45017117063 0.171320900857} H34 64 1 1 {} {0.562939572819 0.248985700674 0.375959452367} H35 65 1 1 {} {0.506156047785 0.337576596538 0.358008281118} H36 66 1 1 {} {0.650559363754 0.336680721315 0.414254010398} H37 67 1 1 {} {0.645066152768 0.259371656491 0.288548678153} H38 68 1 1 {} {0.695799287505 0.417438162066 0.295796733335} H39 69 1 1 {} {0.685242376612 0.379659169737 0.198087124151} H40 70 1 1 {} {0.496820071126 0.279389910574 0.186992076453} H41 71 1 1 {} {0.536629202828 0.220909581449 0.19404011338} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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