#MD System 2.0 @Title neb0_image03 @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 {} {0.207699418832 0.528232710934 0.314022151952} C1 1 1 14 {} {0.261618852346 0.491236338353 0.272235542549} Si1 2 1 14 {} {0.16100524104 0.536708966471 0.233043387611} Si2 3 1 8 {} {0.27417658895 0.524245718971 0.174371498076} O1 4 1 8 {} {0.301625319614 0.511512795146 0.343111353226} O2 5 1 6 {} {0.259637039052 0.398056834524 0.265238790691} C2 6 1 6 {} {0.129444890403 0.457016546639 0.215285218198} C3 7 1 8 {} {0.185519425784 0.562545851619 0.138752119505} O3 8 1 8 {} {0.125682942719 0.597855354483 0.260041838226} O4 9 1 14 {} {0.353086270746 0.540435585024 0.348331134015} Si3 10 1 7 {} {0.38780360626 0.477537754723 0.38997805538} N1 11 1 14 {} {0.442185491187 0.475883416838 0.348909354308} Si4 12 1 14 {} {0.367440822352 0.423337884911 0.472722586662} Si5 13 1 7 {} {0.338301405271 0.461125806524 0.558130796415} N2 14 1 7 {} {0.464012004506 0.555707206303 0.354832546512} N3 15 1 1 {} {0.196076231578 0.49962320552 0.372510808611} H1 16 1 1 {} {0.215543916011 0.579078523329 0.338168988323} H2 17 1 1 {} {0.24868790187 0.544474171943 0.143632882919} H3 18 1 1 {} {0.254479303846 0.375045641717 0.331057697275} H4 19 1 1 {} {0.291352312399 0.37902714347 0.238471550096} H5 20 1 1 {} {0.23286237519 0.380977670046 0.220516270831} H6 21 1 1 {} {0.102931379513 0.463233265869 0.165228255159} H7 22 1 1 {} {0.113901959073 0.439293582425 0.277471676521} H8 23 1 1 {} {0.151844315509 0.417201585736 0.191682372189} H9 24 1 1 {} {0.166994238184 0.585655951476 0.095592760583} H10 25 1 1 {} {0.0972854564385 0.585490401507 0.286044148593} H11 26 1 1 {} {0.369483459384 0.56046199982 0.258479972957} H12 27 1 1 {} {0.351944735369 0.599337032433 0.409411291411} H13 28 1 1 {} {0.466263987383 0.423614804942 0.40156355211} H14 29 1 1 {} {0.444341415967 0.458541729808 0.252106205916} H15 30 1 1 {} {0.33597479798 0.374183516115 0.432419242408} H16 31 1 1 {} {0.406913829825 0.389075193228 0.511967659313} H17 32 1 1 {} {0.306689016549 0.477617316148 0.547153919876} H18 33 1 1 {} {0.354290495802 0.491550944658 0.602087719549} H19 34 1 1 {} {0.48709516002 0.570573171081 0.309194369019} H20 35 1 1 {} {0.469796913744 0.577883899337 0.414788770966} H21 36 1 6 {} {0.652545618813 0.637642297795 0.49863039333} C4 37 1 14 {} {0.613089957159 0.573784251073 0.45077051107} Si6 38 1 14 {} {0.650151402506 0.724235791618 0.453747467348} Si7 39 1 8 {} {0.610617433747 0.582086216483 0.341126449051} O5 40 1 8 {} {0.632803295717 0.499062598949 0.47500778671} O6 41 1 6 {} {0.556081394239 0.579930027908 0.500130952446} C5 42 1 6 {} {0.602576413261 0.774700140707 0.498505144158} C6 43 1 8 {} {0.64597458487 0.713455343064 0.343285622856} O7 44 1 8 {} {0.697788603274 0.765628894321 0.469446004871} O8 45 1 14 {} {0.64336264457 0.421170909859 0.447195618408} Si8 46 1 7 {} {0.598000094955 0.36890191546 0.465111702066} N4 47 1 14 {} {0.578434556213 0.31980079085 0.376765196662} Si9 48 1 14 {} {0.573324421014 0.36561708668 0.571876799886} Si10 49 1 7 {} {0.608501687593 0.384386853959 0.658547361955} N5 50 1 7 {} {0.6134299447 0.257004189723 0.339348217675} N6 51 1 1 {} {0.648389837582 0.639126502248 0.571706929792} H22 52 1 1 {} {0.686610720728 0.618872204439 0.486168695104} H23 53 1 1 {} {0.623028763389 0.624365711127 0.319235263114} H24 54 1 1 {} {0.556137125357 0.570031825637 0.572306521956} H25 55 1 1 {} {0.534177219131 0.542803657775 0.46829129121} H26 56 1 1 {} {0.541546934461 0.629805381679 0.489048581381} H27 57 1 1 {} {0.601808039484 0.825122356318 0.469098657118} H28 58 1 1 {} {0.604619278395 0.780234707746 0.571447309894} H29 59 1 1 {} {0.570510034126 0.750557673681 0.483328260544} H30 60 1 1 {} {0.653885690695 0.750878435879 0.305306940465} H31 61 1 1 {} {0.698108884428 0.800682404497 0.514088048987} H32 62 1 1 {} {0.65485331652 0.41609084494 0.350400477913} H33 63 1 1 {} {0.682516002587 0.400782722447 0.501929876164} H34 64 1 1 {} {0.536651968295 0.287767931909 0.409599451649} H35 65 1 1 {} {0.57026290536 0.362586203904 0.297195847782} H36 66 1 1 {} {0.536090731243 0.415000585204 0.578031495584} H37 67 1 1 {} {0.55614330452 0.296147583874 0.583464264271} H38 68 1 1 {} {0.615094472183 0.432974990931 0.673595723433} H39 69 1 1 {} {0.635551728912 0.355330026233 0.671821789492} H40 70 1 1 {} {0.6380470945 0.268119685757 0.295103103188} H41 71 1 1 {} {0.622969236975 0.219234659703 0.380587872106} 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