#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 {} {0.212880231384 0.527300863273 0.322474391846} C1 1 1 14 {} {0.26681254472 0.490308352255 0.280712705797} Si1 2 1 14 {} {0.16621297268 0.535755628732 0.241452864137} Si2 3 1 8 {} {0.279412522699 0.523354200521 0.182882464922} O1 4 1 8 {} {0.306804480406 0.510593561711 0.35160217449} O2 5 1 6 {} {0.264852192156 0.397136866859 0.273616407939} C2 6 1 6 {} {0.134660210697 0.456044212953 0.223748969665} C3 7 1 8 {} {0.190668376157 0.561625720497 0.147228646912} O3 8 1 8 {} {0.130864778309 0.596816507382 0.268422277396} O4 9 1 14 {} {0.358299701242 0.539485950493 0.356765533431} Si3 10 1 7 {} {0.393017939393 0.47658577171 0.398376912554} N1 11 1 14 {} {0.447010510801 0.474812313017 0.356876297472} Si4 12 1 14 {} {0.372607405295 0.422457365711 0.481294407284} Si5 13 1 7 {} {0.343514430249 0.46017799314 0.566558124834} N2 14 1 7 {} {0.468338610555 0.554713014712 0.362037740672} N3 15 1 1 {} {0.201294984816 0.498663134587 0.380915699295} H1 16 1 1 {} {0.220751978668 0.578109086459 0.346627373377} H2 17 1 1 {} {0.253917856846 0.543498521981 0.152100070921} H3 18 1 1 {} {0.259712071892 0.374119059204 0.339436435695} H4 19 1 1 {} {0.296578832971 0.378059249879 0.246898158363} H5 20 1 1 {} {0.238088120924 0.380008634407 0.22896022426} H6 21 1 1 {} {0.108148498975 0.462257436894 0.173683753973} H7 22 1 1 {} {0.119123669977 0.438305073442 0.28594235416} H8 23 1 1 {} {0.157071995374 0.416244360049 0.200118320332} H9 24 1 1 {} {0.172192449635 0.584705375579 0.103988237851} H10 25 1 1 {} {0.102477720795 0.584530872386 0.294497590532} H11 26 1 1 {} {0.374660129493 0.559466122353 0.266929727558} H12 27 1 1 {} {0.357156294047 0.598294468297 0.417723763846} H13 28 1 1 {} {0.471506036478 0.422815538033 0.410009516571} H14 29 1 1 {} {0.449605569191 0.4575914543 0.260679972044} H15 30 1 1 {} {0.341183039862 0.373231252674 0.440862342399} H16 31 1 1 {} {0.41213031955 0.388123298832 0.520393371401} H17 32 1 1 {} {0.311924744848 0.476673870009 0.555611700114} H18 33 1 1 {} {0.359509716557 0.490575215177 0.610511191063} H19 34 1 1 {} {0.49217740537 0.569617791677 0.317903445604} H20 35 1 1 {} {0.474317120939 0.576962843356 0.42184086105} H21 36 1 6 {} {0.647345429298 0.638542605877 0.490103846941} C4 37 1 14 {} {0.608008317262 0.574810999078 0.442678728623} Si6 38 1 14 {} {0.644976821001 0.725233505946 0.44538482864} Si7 39 1 8 {} {0.605341981424 0.583012274536 0.332712144782} O5 40 1 8 {} {0.627510737371 0.500003119818 0.466575379058} O6 41 1 6 {} {0.551453624132 0.581061641931 0.492691271524} C5 42 1 6 {} {0.597380080713 0.775667799345 0.490074473365} C6 43 1 8 {} {0.640603472542 0.714410470463 0.334826803387} O7 44 1 8 {} {0.692556434846 0.766558677303 0.461001023472} O8 45 1 14 {} {0.638048170188 0.422049801963 0.438601872111} Si8 46 1 7 {} {0.592852827127 0.37001522629 0.457173784111} N4 47 1 14 {} {0.57332794442 0.320446014256 0.368286787288} Si9 48 1 14 {} {0.56789892395 0.366563283057 0.56256376834} Si10 49 1 7 {} {0.60343118359 0.385369057747 0.650269197356} N5 50 1 7 {} {0.608192542595 0.258007619588 0.330917912348} N6 51 1 1 {} {0.643178369891 0.640070644338 0.563220206593} H22 52 1 1 {} {0.681387951722 0.619816528582 0.477736300967} H23 53 1 1 {} {0.617836118986 0.625349100411 0.310819126064} H24 54 1 1 {} {0.551075686648 0.571049951718 0.564299348931} H25 55 1 1 {} {0.530080976785 0.543688025668 0.46079774354} H26 56 1 1 {} {0.536485548112 0.630723429078 0.48072408249} H27 57 1 1 {} {0.59660045425 0.826074782955 0.460653359487} H28 58 1 1 {} {0.599415169894 0.781170044837 0.563028496967} H29 59 1 1 {} {0.565293944655 0.751509675238 0.474874595632} H30 60 1 1 {} {0.648671842175 0.751820140227 0.296897284955} H31 61 1 1 {} {0.692912663338 0.801577480494 0.505598277805} H32 62 1 1 {} {0.649671365494 0.417060470779 0.341923089792} H33 63 1 1 {} {0.677323257509 0.401750122358 0.493521310401} H34 64 1 1 {} {0.5314763543 0.288721846751 0.401140932303} H35 65 1 1 {} {0.565061178847 0.363558768386 0.288713847471} H36 66 1 1 {} {0.530944118062 0.415966957261 0.56967637882} H37 67 1 1 {} {0.550939370543 0.297123456391 0.575070784836} H38 68 1 1 {} {0.609902465412 0.43398010499 0.665229169455} H39 69 1 1 {} {0.630387093359 0.356222025211 0.663432918869} H40 70 1 1 {} {0.632847215248 0.269059726227 0.286745812358} H41 71 1 1 {} {0.617772753879 0.220236585077 0.372159230829} 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