#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 {} {0.202479744062 0.529216909554 0.305664216667} C1 1 1 14 {} {0.256398521729 0.492200047938 0.263857011645} Si1 2 1 14 {} {0.155810716514 0.537663925149 0.224613302214} Si2 3 1 8 {} {0.269032052144 0.525333678752 0.16605768259} O1 4 1 8 {} {0.296459525746 0.512399346923 0.33475399354} O2 5 1 6 {} {0.254478977186 0.399047881382 0.256816825951} C2 6 1 6 {} {0.124269228124 0.457980050126 0.206923806286} C3 7 1 8 {} {0.180324994115 0.563443387796 0.130358747876} O3 8 1 8 {} {0.120489743264 0.598801165679 0.251638714978} O4 9 1 14 {} {0.34791498944 0.5414575363 0.339846176743} Si3 10 1 7 {} {0.38268106907 0.478525756001 0.381522749584} N1 11 1 14 {} {0.437106608848 0.476905676056 0.340707499191} Si4 12 1 14 {} {0.36229163437 0.424271472035 0.46429070676} Si5 13 1 7 {} {0.333133574491 0.462072506402 0.549708872166} N2 14 1 7 {} {0.459068171898 0.556614775014 0.346906526377} N3 15 1 1 {} {0.190900975051 0.500570543753 0.364099860754} H1 16 1 1 {} {0.210362259407 0.580024536637 0.329808194603} H2 17 1 1 {} {0.243510181255 0.545430363864 0.135272131515} H3 18 1 1 {} {0.249326097735 0.376024329203 0.322624000404} H4 19 1 1 {} {0.286194016888 0.379966129512 0.230073547298} H5 20 1 1 {} {0.227709172696 0.381922824763 0.212162043236} H6 21 1 1 {} {0.0977522863066 0.464169092381 0.15686322677} H7 22 1 1 {} {0.108734801689 0.440224538018 0.269119570256} H8 23 1 1 {} {0.14668083989 0.418161737571 0.183307886614} H9 24 1 1 {} {0.161826697839 0.586596061783 0.0872106560362} H10 25 1 1 {} {0.0920892102663 0.586455072038 0.277673053409} H11 26 1 1 {} {0.364282771186 0.5613656672 0.250091103825} H12 27 1 1 {} {0.346771481071 0.600195915492 0.400903432878} H13 28 1 1 {} {0.461074147755 0.424527148463 0.393231288861} H14 29 1 1 {} {0.439189017568 0.459617698805 0.243952527845} H15 30 1 1 {} {0.33079263282 0.375141904943 0.424063586649} H16 31 1 1 {} {0.401735977371 0.390033396451 0.503612782534} H17 32 1 1 {} {0.301519111187 0.478580747698 0.538809084792} H18 33 1 1 {} {0.349116824981 0.492491780899 0.593713896955} H19 34 1 1 {} {0.481918824036 0.571600648052 0.300932311175} H20 35 1 1 {} {0.464935364888 0.578832921595 0.406764937987} H21 36 1 6 {} {0.657676565747 0.636634377008 0.506998765184} C4 37 1 14 {} {0.618179863771 0.572839021151 0.459121937068} Si6 38 1 14 {} {0.655343856863 0.723288733798 0.462137426119} Si7 39 1 8 {} {0.615956562775 0.581059501317 0.34944895403} O5 40 1 8 {} {0.63793918092 0.498061834419 0.483447281364} O6 41 1 6 {} {0.561071021516 0.57892493186 0.508215735688} C5 42 1 6 {} {0.607749321449 0.773766768448 0.506897682337} C6 43 1 8 {} {0.651116013016 0.712502676831 0.351655791584} O7 44 1 8 {} {0.702869555557 0.76469311948 0.477818131749} O8 45 1 14 {} {0.648521721306 0.420204628288 0.455524102517} Si8 46 1 7 {} {0.603157230066 0.368000235712 0.473648966388} N4 47 1 14 {} {0.583585448083 0.318778865587 0.385135941444} Si9 48 1 14 {} {0.578510773443 0.36467118887 0.580010611745} Si10 49 1 7 {} {0.613689883291 0.383425856378 0.667090533332} N5 50 1 7 {} {0.618644582511 0.256102584178 0.34781131084} N6 51 1 1 {} {0.653568127198 0.638182742808 0.580102201919} H22 52 1 1 {} {0.691746008594 0.617899198952 0.494574302775} H23 53 1 1 {} {0.628221606971 0.623448512537 0.327610253794} H24 54 1 1 {} {0.561215569522 0.568993831042 0.580328778079} H25 55 1 1 {} {0.53900136861 0.542000405878 0.476403681749} H26 56 1 1 {} {0.546642750149 0.628870393268 0.497330087411} H27 57 1 1 {} {0.606984296985 0.824177158649 0.477485608126} H28 58 1 1 {} {0.609797178033 0.779264923028 0.579857357919} H29 59 1 1 {} {0.575675889177 0.749585871106 0.491700806569} H30 60 1 1 {} {0.659072351931 0.749937829078 0.313713127339} H31 61 1 1 {} {0.703290073237 0.799690761984 0.522443520133} H32 62 1 1 {} {0.660047624372 0.415114488917 0.358745102584} H33 63 1 1 {} {0.687709567979 0.399776654187 0.510332779693} H34 64 1 1 {} {0.541845983935 0.286802758531 0.417946161587} H35 65 1 1 {} {0.575448617986 0.361636921197 0.305503211163} H36 66 1 1 {} {0.541282759833 0.414052451007 0.58630802313} H37 67 1 1 {} {0.561305155588 0.295205594571 0.591800243415} H38 68 1 1 {} {0.620284686104 0.432044870469 0.681977136748} H39 69 1 1 {} {0.640735197451 0.354345190094 0.680179830437} H40 70 1 1 {} {0.643250324968 0.267154823751 0.303520043897} H41 71 1 1 {} {0.628178895283 0.21829608155 0.389026734877} 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