#MD System 2.0 @Title neb0_image05 @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 {} {0.212882177627 0.527290944419 0.322454210087} C1 1 1 14 {} {0.266812418065 0.49030508847 0.280677061304} Si1 2 1 14 {} {0.166198701578 0.535751961191 0.241462463861} Si2 3 1 8 {} {0.27941637752 0.523375370573 0.182864600513} O1 4 1 8 {} {0.306789311848 0.510591922744 0.351604649629} O2 5 1 6 {} {0.264848992251 0.39712303865 0.273613053411} C2 6 1 6 {} {0.134654539592 0.456045236848 0.223731375045} C3 7 1 8 {} {0.190668177027 0.561623201829 0.14720023131} O3 8 1 8 {} {0.130850451199 0.596849194501 0.268402198098} O4 9 1 14 {} {0.358276432527 0.539486351978 0.356729127075} Si3 10 1 7 {} {0.392957435744 0.476563324482 0.398391124145} N1 11 1 14 {} {0.447127497318 0.474812182228 0.357004383964} Si4 12 1 14 {} {0.372612307084 0.422412719043 0.481226980748} Si5 13 1 7 {} {0.343505324611 0.460188625693 0.56656120038} N2 14 1 7 {} {0.468512862082 0.554828988631 0.362252654099} N3 15 1 1 {} {0.201281248539 0.49866527517 0.380921931894} H1 16 1 1 {} {0.220736617144 0.57811484078 0.346624420253} H2 17 1 1 {} {0.253900871631 0.543500873355 0.152091574563} H3 18 1 1 {} {0.259700447675 0.374124754712 0.339444370281} H4 19 1 1 {} {0.296570140934 0.378074987628 0.246872436716} H5 20 1 1 {} {0.238075857299 0.380010008482 0.228932106213} H6 21 1 1 {} {0.108139691903 0.462252918706 0.173672335655} H7 22 1 1 {} {0.1191171001 0.438306910937 0.285919528349} H8 23 1 1 {} {0.157061285775 0.416245645165 0.200103839097} H9 24 1 1 {} {0.172184485585 0.584707518135 0.103969713751} H10 25 1 1 {} {0.102465906311 0.584532905814 0.29448209408} H11 26 1 1 {} {0.374655941553 0.559468952552 0.266877828239} H12 27 1 1 {} {0.35714693125 0.598319267124 0.417741236565} H13 28 1 1 {} {0.471482970578 0.422812346658 0.409979491736} H14 29 1 1 {} {0.449578379811 0.457554702454 0.260551834682} H15 30 1 1 {} {0.341171991359 0.373233228675 0.440856921807} H16 31 1 1 {} {0.412115382223 0.388134095165 0.520387187958} H17 32 1 1 {} {0.311901072859 0.476678608272 0.555591580309} H18 33 1 1 {} {0.359512092632 0.490586664487 0.610523774959} H19 34 1 1 {} {0.4921815666 0.569586692633 0.317738894991} H20 35 1 1 {} {0.474387758185 0.576958897047 0.422148468045} H21 36 1 6 {} {0.64737756047 0.638580707119 0.490160574821} C4 37 1 14 {} {0.608023519106 0.574803607387 0.442559714644} Si6 38 1 14 {} {0.644964955984 0.725211022187 0.445357776916} Si7 39 1 8 {} {0.605378241753 0.583034862796 0.332790698846} O5 40 1 8 {} {0.62752688735 0.49997220306 0.466579917806} O6 41 1 6 {} {0.551327653317 0.581095539728 0.492439302946} C5 42 1 6 {} {0.597380933911 0.775654964697 0.490088411819} C6 43 1 8 {} {0.6406171283 0.714425089138 0.334868979604} O7 44 1 8 {} {0.692579760727 0.766554628802 0.461006251543} O8 45 1 14 {} {0.638106616026 0.422083553553 0.438672462894} Si8 46 1 7 {} {0.592832564569 0.369929237443 0.456944551854} N4 47 1 14 {} {0.573302458273 0.320577377575 0.368321382102} Si9 48 1 14 {} {0.568015743348 0.366584440165 0.562967466001} Si10 49 1 7 {} {0.603359693763 0.385343671005 0.650137394699} N5 50 1 7 {} {0.608234346094 0.257962082402 0.330932230865} N6 51 1 1 {} {0.643186393963 0.64007042156 0.563235011087} H22 52 1 1 {} {0.681415870366 0.619806133847 0.477749742196} H23 53 1 1 {} {0.617830506737 0.625313309171 0.310857362339} H24 54 1 1 {} {0.551089187418 0.571040517966 0.564352463455} H25 55 1 1 {} {0.529849405325 0.543643928424 0.460601706267} H26 56 1 1 {} {0.536482447164 0.630711608478 0.480742255229} H27 57 1 1 {} {0.596612131223 0.826075828227 0.460674165503} H28 58 1 1 {} {0.599425429027 0.781169537608 0.563032865353} H29 59 1 1 {} {0.565307370947 0.751502975514 0.474888242279} H30 60 1 1 {} {0.648677903529 0.75181235746 0.29692036063} H31 61 1 1 {} {0.692921631826 0.801590361882 0.505631441334} H32 62 1 1 {} {0.649673918702 0.417050201189 0.341936317039} H33 63 1 1 {} {0.677317883693 0.401748150406 0.493503975601} H34 64 1 1 {} {0.531483066471 0.288708999485 0.401169845688} H35 65 1 1 {} {0.565076666899 0.363541035847 0.288761339533} H36 66 1 1 {} {0.530930686058 0.415986316103 0.569659136953} H37 67 1 1 {} {0.550937041784 0.297129962423 0.575062366156} H38 68 1 1 {} {0.609911807875 0.43396055854 0.665236670666} H39 69 1 1 {} {0.63038679846 0.356227162053 0.66342274782} H40 70 1 1 {} {0.632863990872 0.269059534446 0.286752182886} H41 71 1 1 {} {0.61778890718 0.220222815621 0.372183947014} 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