#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 {} {0.202886536176 0.529163332966 0.304893351898} C1 1 1 14 {} {0.256497031352 0.491405371003 0.263172756777} Si1 2 1 14 {} {0.155973004567 0.53750739944 0.224507314301} Si2 3 1 8 {} {0.268761066598 0.523319230973 0.164446969538} O1 4 1 8 {} {0.296842254051 0.511689867902 0.333200447531} O2 5 1 6 {} {0.254207133076 0.398253729488 0.257068347672} C2 6 1 6 {} {0.12403923739 0.458101339713 0.207038870564} C3 7 1 8 {} {0.179998202748 0.56323081445 0.129686620411} O3 8 1 8 {} {0.120806493386 0.598465883939 0.253346457358} O4 9 1 14 {} {0.34812209766 0.541300491652 0.339744110983} Si3 10 1 7 {} {0.382998754365 0.478839855259 0.382171667106} N1 11 1 14 {} {0.437347034645 0.476700832966 0.341120071309} Si4 12 1 14 {} {0.36245919579 0.424191714825 0.464234294184} Si5 13 1 7 {} {0.332890213493 0.461468912314 0.549458128553} N2 14 1 7 {} {0.459922335484 0.55604794019 0.347438568367} N3 15 1 1 {} {0.191062001342 0.501149107986 0.363746565689} H1 16 1 1 {} {0.210731203936 0.580167750494 0.328447222425} H2 17 1 1 {} {0.243546915789 0.545013550641 0.134697130107} H3 18 1 1 {} {0.24890633824 0.375289053779 0.322844235454} H4 19 1 1 {} {0.285852319895 0.378972090677 0.230399182957} H5 20 1 1 {} {0.227405666001 0.381429658031 0.212285222554} H6 21 1 1 {} {0.0976205667589 0.464830777931 0.156865804675} H7 22 1 1 {} {0.108293093987 0.440814042854 0.269250956915} H8 23 1 1 {} {0.146089837679 0.417835234618 0.183511993373} H9 24 1 1 {} {0.161455113311 0.58697698891 0.0872314012708} H10 25 1 1 {} {0.0922992399112 0.585468359312 0.278138389584} H11 26 1 1 {} {0.364840001663 0.561849990539 0.250343285488} H12 27 1 1 {} {0.34637768911 0.600048574875 0.400962601925} H13 28 1 1 {} {0.461041575488 0.42354172285 0.393000005398} H14 29 1 1 {} {0.439176778702 0.459646989745 0.244248636219} H15 30 1 1 {} {0.331168765483 0.375170442538 0.423204550333} H16 31 1 1 {} {0.401890244458 0.389879295588 0.503310225312} H17 32 1 1 {} {0.301214421773 0.477473236204 0.537740175567} H18 33 1 1 {} {0.348418088351 0.492653305427 0.593086777049} H19 34 1 1 {} {0.482424959911 0.57122125013 0.301030300206} H20 35 1 1 {} {0.46571829419 0.578638769425 0.40723919104} H21 36 1 6 {} {0.6577494606 0.637595753307 0.507183987805} C4 37 1 14 {} {0.618334837245 0.573118842511 0.460217478583} Si6 38 1 14 {} {0.655415943714 0.724124434076 0.461615610025} Si7 39 1 8 {} {0.615911444552 0.580928111583 0.35050720158} O5 40 1 8 {} {0.638598503174 0.498681339969 0.484811875804} O6 41 1 6 {} {0.561017328604 0.578765808335 0.5090445761} C5 42 1 6 {} {0.607599417262 0.774313448758 0.506009187928} C6 43 1 8 {} {0.652541351505 0.712270924188 0.351224460277} O7 44 1 8 {} {0.702572905483 0.766616366337 0.47745475628} O8 45 1 14 {} {0.648741631334 0.420652347674 0.456515209315} Si8 46 1 7 {} {0.603227254531 0.368593106233 0.473924750198} N4 47 1 14 {} {0.583457757527 0.319605866532 0.385217057424} Si9 48 1 14 {} {0.578464371071 0.36393656381 0.580119812172} Si10 49 1 7 {} {0.613353804902 0.38341752793 0.667483655656} N5 50 1 7 {} {0.61807811292 0.256601999627 0.34740691768} N6 51 1 1 {} {0.654042313298 0.639186080523 0.580325541263} H22 52 1 1 {} {0.691833879325 0.619079136667 0.493930143112} H23 53 1 1 {} {0.628395770037 0.622996254183 0.328033654847} H24 54 1 1 {} {0.560749128684 0.569451387581 0.581392714273} H25 55 1 1 {} {0.539130403992 0.541407035354 0.477560161054} H26 56 1 1 {} {0.546310885372 0.628442758972 0.497300888373} H27 57 1 1 {} {0.606706959798 0.824908253554 0.477101953439} H28 58 1 1 {} {0.610123895205 0.779676031516 0.57894710679} H29 59 1 1 {} {0.575397263436 0.75026376887 0.49182345588} H30 60 1 1 {} {0.659893185747 0.749959003296 0.313202147891} H31 61 1 1 {} {0.702947566031 0.800618159774 0.523526936358} H32 62 1 1 {} {0.660270781528 0.415629883272 0.3598303126} H33 63 1 1 {} {0.68778182056 0.399724846278 0.51134317772} H34 64 1 1 {} {0.541572298612 0.288083189712 0.418232578093} H35 65 1 1 {} {0.575380352224 0.362470525523 0.305553677125} H36 66 1 1 {} {0.54063371575 0.412225569322 0.586830195494} H37 67 1 1 {} {0.562095101441 0.294005863829 0.59144334113} H38 68 1 1 {} {0.619844661501 0.432203224845 0.681232113392} H39 69 1 1 {} {0.640587954393 0.354795971223 0.680730756481} H40 70 1 1 {} {0.642391768124 0.267264036658 0.302218636067} H41 71 1 1 {} {0.627240337096 0.217932836008 0.387400435704} 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