#MD System 2.0 @Title neb0_image08 @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 {} {0.362131576292 0.525939161056 0.423419370656} C1 1 1 14 {} {0.343465137499 0.492170332157 0.534726859082} Si1 2 1 14 {} {0.415982336072 0.572062360478 0.417482468251} Si2 3 1 8 {} {0.346783270786 0.552307110417 0.609988006302} O1 4 1 8 {} {0.290568456595 0.469874686303 0.52671201249} O2 5 1 6 {} {0.375178091278 0.416134402901 0.569960266202} C2 6 1 6 {} {0.464652789921 0.516041746954 0.411362155454} C3 7 1 8 {} {0.41844411318 0.613527778026 0.515083404093} O3 8 1 8 {} {0.416317576149 0.62253291454 0.32894859886} O4 9 1 14 {} {0.23827777509 0.475599825515 0.557220183019} Si3 10 1 7 {} {0.218621209134 0.396938059233 0.588699545104} N1 11 1 14 {} {0.182616217866 0.392682277583 0.680614401363} Si4 12 1 14 {} {0.23422090641 0.326938159299 0.524682057735} Si5 13 1 7 {} {0.235453560163 0.339207405357 0.411055290798} N2 14 1 7 {} {0.135072962321 0.440941796188 0.673473076073} N3 15 1 1 {} {0.362345848182 0.485233486896 0.373543472154} H1 16 1 1 {} {0.336467857147 0.562033907293 0.401314074394} H2 17 1 1 {} {0.370546743461 0.584518451455 0.596894301635} H3 18 1 1 {} {0.371832817975 0.375090284389 0.521552023365} H4 19 1 1 {} {0.36250631772 0.398086294308 0.634478726992} H5 20 1 1 {} {0.410892723413 0.427072070485 0.578286401125} H6 21 1 1 {} {0.497823762746 0.540431918119 0.412431026723} H7 22 1 1 {} {0.462634907358 0.483308882026 0.351930712564} H8 23 1 1 {} {0.462368896297 0.4844473309 0.471250304452} H9 24 1 1 {} {0.444563619752 0.641260923847 0.524890698111} H10 25 1 1 {} {0.445879218293 0.627377822236 0.303334920794} H11 26 1 1 {} {0.232527159891 0.521345016074 0.635195563611} H12 27 1 1 {} {0.212789004084 0.502276369171 0.479506884069} H13 28 1 1 {} {0.169753127331 0.320957214491 0.688805414142} H14 29 1 1 {} {0.205676325858 0.417087081275 0.762464352487} H15 30 1 1 {} {0.28016551516 0.305287077419 0.549625539999} H16 31 1 1 {} {0.201080717091 0.273547320633 0.545074443596} H17 32 1 1 {} {0.261860529865 0.363356596998 0.383232798145} H18 33 1 1 {} {0.206971051224 0.350045201529 0.377183430662} H19 34 1 1 {} {0.134907782433 0.4885649629 0.697116677225} H20 35 1 1 {} {0.112429125192 0.435027580492 0.623657206756} H21 36 1 6 {} {0.579844415052 0.357316416469 0.308166761954} C4 37 1 14 {} {0.576721268008 0.388385967711 0.427123934146} Si6 38 1 14 {} {0.563503164334 0.268433789087 0.290225634665} Si7 39 1 8 {} {0.607174978922 0.340411105703 0.49343531795} O5 40 1 8 {} {0.597032309689 0.465399468739 0.430488588238} O6 41 1 6 {} {0.518047377625 0.392130675425 0.464693015163} C5 42 1 6 {} {0.502556557246 0.257901335291 0.266798920515} C6 43 1 8 {} {0.578752197932 0.229850133545 0.384582368286} O7 44 1 8 {} {0.593189462262 0.231606490674 0.210324645756} O8 45 1 14 {} {0.640923193994 0.510847966563 0.459101668262} Si8 46 1 7 {} {0.625300549082 0.591940398605 0.485774191322} N4 47 1 14 {} {0.632077848823 0.619830236744 0.596514262205} Si9 48 1 14 {} {0.60153420871 0.64568961931 0.407252230743} Si10 49 1 7 {} {0.612703107761 0.626209351086 0.2976030257} N5 50 1 7 {} {0.68482735285 0.639690295619 0.633001524978} N6 51 1 1 {} {0.56006988502 0.389467835099 0.263025669498} H22 52 1 1 {} {0.615021643018 0.362605558696 0.287672778442} H23 53 1 1 {} {0.602359367076 0.293570411545 0.476675531101} H24 54 1 1 {} {0.501641212377 0.422224389717 0.413542848492} H25 55 1 1 {} {0.515202109052 0.418391919287 0.528955696746} H26 56 1 1 {} {0.500379422921 0.343833226737 0.46823609567} H27 57 1 1 {} {0.493273446582 0.204782123 0.262184426784} H28 58 1 1 {} {0.493251205435 0.28201136329 0.203420168747} H29 59 1 1 {} {0.48215533331 0.2807065353 0.319631490475} H30 60 1 1 {} {0.581490666628 0.181524970774 0.382407667202} H31 61 1 1 {} {0.579939961417 0.227483243689 0.15168858052} H32 62 1 1 {} {0.662932463126 0.482165807775 0.539543736127} H33 63 1 1 {} {0.672543984553 0.510524350283 0.382371929845} H34 64 1 1 {} {0.604423245104 0.681784689403 0.602753672882} H35 65 1 1 {} {0.615574930741 0.566669387593 0.657917393805} H36 66 1 1 {} {0.551756305574 0.644883064134 0.414527737077} H37 67 1 1 {} {0.618481565809 0.714516339378 0.424918317885} H38 68 1 1 {} {0.59619952064 0.587963392373 0.267081517143} H39 69 1 1 {} {0.644327560479 0.630078072728 0.273079909059} H40 70 1 1 {} {0.706088078031 0.60247438933 0.650477819153} H41 71 1 1 {} {0.701723039078 0.678568167234 0.605690548169} 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