#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 {} {0.213107202126 0.527268217352 0.32263589781} C1 1 1 14 {} {0.266962610463 0.490171283336 0.280853679144} Si1 2 1 14 {} {0.166412709031 0.53567448807 0.241712051464} Si2 3 1 8 {} {0.279581048688 0.522942116093 0.182897095285} O1 4 1 8 {} {0.306876217015 0.51071793841 0.351986932324} O2 5 1 6 {} {0.265014758313 0.39699639423 0.274010826054} C2 6 1 6 {} {0.134860708292 0.455962471188 0.223999453087} C3 7 1 8 {} {0.190797121194 0.561709924108 0.14740665853} O3 8 1 8 {} {0.131019508831 0.596640271156 0.268973890521} O4 9 1 14 {} {0.358331247513 0.539512688717 0.357053008856} Si3 10 1 7 {} {0.392856148509 0.476273964406 0.398478244906} N1 11 1 14 {} {0.446748585211 0.474600955283 0.355600312064} Si4 12 1 14 {} {0.372692734691 0.422207866811 0.481696363387} Si5 13 1 7 {} {0.343619466907 0.460112416084 0.56708432857} N2 14 1 7 {} {0.466454823795 0.555761950559 0.358694298965} N3 15 1 1 {} {0.201477296744 0.498676215704 0.381125442116} H1 16 1 1 {} {0.220975587106 0.578110801737 0.346743910734} H2 17 1 1 {} {0.254132154205 0.543450842173 0.152239881987} H3 18 1 1 {} {0.259829374704 0.373933227097 0.339790436396} H4 19 1 1 {} {0.29672072689 0.377943210184 0.247238993223} H5 20 1 1 {} {0.238229034225 0.380019223997 0.229237896162} H6 21 1 1 {} {0.108337303007 0.462277955099 0.173958506494} H7 22 1 1 {} {0.119287340668 0.43832228612 0.286218956964} H8 23 1 1 {} {0.157200879075 0.416068835582 0.200393527269} H9 24 1 1 {} {0.172259227822 0.584737222717 0.104305749051} H10 25 1 1 {} {0.10264630073 0.584245929548 0.294949519862} H11 26 1 1 {} {0.374761893204 0.559450589609 0.267204468314} H12 27 1 1 {} {0.357327787106 0.598342150819 0.418215640597} H13 28 1 1 {} {0.471670612175 0.42351719906 0.409626293527} H14 29 1 1 {} {0.449387052801 0.455939675111 0.259453926696} H15 30 1 1 {} {0.341285207827 0.373014002249 0.441220324803} H16 31 1 1 {} {0.412326081943 0.388078535269 0.520605299068} H17 32 1 1 {} {0.312019028496 0.476650923779 0.555847964203} H18 33 1 1 {} {0.359605517078 0.490643175149 0.610827479533} H19 34 1 1 {} {0.491869511982 0.568606860746 0.31656570886} H20 35 1 1 {} {0.471329708024 0.577466722146 0.41926472101} H21 36 1 6 {} {0.647969852015 0.639015756705 0.489864305846} C4 37 1 14 {} {0.608586302753 0.575209688013 0.44336885226} Si6 38 1 14 {} {0.644921976474 0.725505522573 0.444911994913} Si7 39 1 8 {} {0.604631481152 0.583386215352 0.333607931974} O5 40 1 8 {} {0.627722012444 0.500059411075 0.466294672912} O6 41 1 6 {} {0.552379710204 0.581459986847 0.495033939536} C5 42 1 6 {} {0.597222070437 0.775736515436 0.489785452123} C6 43 1 8 {} {0.640463252637 0.714474654647 0.334501064695} O7 44 1 8 {} {0.69248275048 0.766839797986 0.460461954832} O8 45 1 14 {} {0.638016175761 0.422097205338 0.438525859475} Si8 46 1 7 {} {0.592642078595 0.369942603124 0.456598848727} N4 47 1 14 {} {0.573101829362 0.320671100806 0.368123910183} Si9 48 1 14 {} {0.567910199377 0.366669337958 0.562936942349} Si10 49 1 7 {} {0.602940315718 0.385305757797 0.649163512001} N5 50 1 7 {} {0.608020408958 0.257742239922 0.330407797517} N6 51 1 1 {} {0.643238000026 0.640155168543 0.562775703795} H22 52 1 1 {} {0.682048712164 0.620402770939 0.477505795979} H23 53 1 1 {} {0.617413630542 0.625128616443 0.310734194745} H24 54 1 1 {} {0.552212142182 0.572289678052 0.567339229534} H25 55 1 1 {} {0.532162115761 0.542305575062 0.463314026748} H26 56 1 1 {} {0.53690976954 0.630240324615 0.481787834283} H27 57 1 1 {} {0.596449733251 0.826151036183 0.460348510127} H28 58 1 1 {} {0.599273174916 0.781291224811 0.562719721373} H29 59 1 1 {} {0.565140732653 0.751613162834 0.474619341206} H30 60 1 1 {} {0.648514973689 0.75180974334 0.296434379783} H31 61 1 1 {} {0.692786951405 0.801775445719 0.505329252381} H32 62 1 1 {} {0.649492710611 0.417149890297 0.341636093891} H33 63 1 1 {} {0.677229445091 0.401850693542 0.493320493582} H34 64 1 1 {} {0.531311136685 0.288823735126 0.401014408194} H35 65 1 1 {} {0.564904074004 0.363659699743 0.288515382153} H36 66 1 1 {} {0.530693726823 0.41589959567 0.569753265358} H37 67 1 1 {} {0.550783429897 0.297044217502 0.574783796569} H38 68 1 1 {} {0.609672210954 0.434269358653 0.665059576331} H39 69 1 1 {} {0.630401363913 0.356032975401 0.663286766915} H40 70 1 1 {} {0.632559481877 0.269059305697 0.286364347361} H41 71 1 1 {} {0.617457400558 0.220186411445 0.37146130269} 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