#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 {} {0.21295495009 0.527291319187 0.322518993909} C1 1 1 14 {} {0.266862303415 0.490286991816 0.280778799407} Si1 2 1 14 {} {0.166264792792 0.535695149776 0.241539495596} Si2 3 1 8 {} {0.279451940382 0.523238292531 0.182911604503} O1 4 1 8 {} {0.306847664396 0.510610440526 0.351687819202} O2 5 1 6 {} {0.264903329923 0.397107874728 0.273723942038} C2 6 1 6 {} {0.134714175582 0.4560145274 0.223824462468} C3 7 1 8 {} {0.190718415702 0.561655372047 0.147266038815} O3 8 1 8 {} {0.130910967349 0.596769323786 0.268570764831} O4 9 1 14 {} {0.358292458784 0.539503694983 0.356820024959} Si3 10 1 7 {} {0.392860333323 0.476490775932 0.398583905719} N1 11 1 14 {} {0.447010438797 0.474579386908 0.356743780632} Si4 12 1 14 {} {0.372656247584 0.422331093623 0.481362944651} Si5 13 1 7 {} {0.343541657249 0.460164716538 0.566717517659} N2 14 1 7 {} {0.467754789407 0.555066965062 0.361031373897} N3 15 1 1 {} {0.201341835516 0.498654513231 0.380976238478} H1 16 1 1 {} {0.220819970308 0.578126446576 0.346669379861} H2 17 1 1 {} {0.253979595052 0.543493074419 0.152133863186} H3 18 1 1 {} {0.259751139909 0.374069002484 0.339517430109} H4 19 1 1 {} {0.296616822225 0.378027520821 0.247004770176} H5 20 1 1 {} {0.238124334574 0.380010907132 0.2290358701} H6 21 1 1 {} {0.108203811741 0.462269468995 0.173766188491} H7 22 1 1 {} {0.119170283111 0.438312308117 0.28602244438} H8 23 1 1 {} {0.157110468161 0.416209975051 0.200200483111} H9 24 1 1 {} {0.172210888814 0.58471765819 0.104065256967} H10 25 1 1 {} {0.102522687077 0.584463764773 0.294622155819} H11 26 1 1 {} {0.374703099319 0.559466224568 0.267034992003} H12 27 1 1 {} {0.357208989802 0.59830769096 0.41785381928} H13 28 1 1 {} {0.471524509839 0.423028201108 0.409888568509} H14 29 1 1 {} {0.449596996908 0.457228644756 0.260237300775} H15 30 1 1 {} {0.341248911896 0.37324193401 0.440953781258} H16 31 1 1 {} {0.412179649558 0.388126038304 0.520428461492} H17 32 1 1 {} {0.311932566656 0.476677283659 0.555663839303} H18 33 1 1 {} {0.359550862075 0.490608230366 0.610624587214} H19 34 1 1 {} {0.49213689732 0.569373791994 0.317575237118} H20 35 1 1 {} {0.473503805872 0.577040122301 0.421111803377} H21 36 1 6 {} {0.647475269138 0.638716267193 0.490047962728} C4 37 1 14 {} {0.608244472643 0.574925595083 0.44261485534} Si6 38 1 14 {} {0.644910532099 0.725244958031 0.445197862943} Si7 39 1 8 {} {0.605153660676 0.583145556392 0.332990511256} O5 40 1 8 {} {0.627516584629 0.500000696076 0.466476753177} O6 41 1 6 {} {0.551762583624 0.581352945369 0.493313061704} C5 42 1 6 {} {0.597332204892 0.775681124528 0.490002778115} C6 43 1 8 {} {0.640565886198 0.71443668705 0.334767568192} O7 44 1 8 {} {0.692539516575 0.766595289856 0.460861092185} O8 45 1 14 {} {0.638117898287 0.422122503125 0.438684251429} Si8 46 1 7 {} {0.59276866032 0.369833697208 0.456526882096} N4 47 1 14 {} {0.573235045162 0.32073085255 0.368316964229} Si9 48 1 14 {} {0.568054365912 0.366613625581 0.563297841044} Si10 49 1 7 {} {0.603243792312 0.385329433234 0.649724496162} N5 50 1 7 {} {0.608161352859 0.25787044273 0.330731368678} N6 51 1 1 {} {0.643153550289 0.640071073348 0.563071756693} H22 52 1 1 {} {0.681476881461 0.619922088809 0.477634983646} H23 53 1 1 {} {0.617724999115 0.625240714299 0.310814568975} H24 54 1 1 {} {0.551309141174 0.571290430302 0.565353870473} H25 55 1 1 {} {0.530803817055 0.543250635875 0.461407918214} H26 56 1 1 {} {0.536616230189 0.630639657871 0.48095313869} H27 57 1 1 {} {0.596554025041 0.826097232248 0.460560727036} H28 58 1 1 {} {0.599367740239 0.781202891855 0.562950893422} H29 59 1 1 {} {0.565260066619 0.751551276363 0.474808348773} H30 60 1 1 {} {0.648625277587 0.751803729794 0.296794214897} H31 61 1 1 {} {0.6928728919 0.801627815843 0.505534692187} H32 62 1 1 {} {0.649605578206 0.417085791229 0.341838384628} H33 63 1 1 {} {0.677257378072 0.40181440048 0.493409410982} H34 64 1 1 {} {0.531447778621 0.288758645957 0.401094898778} H35 65 1 1 {} {0.565031025466 0.363520359824 0.28878767102} H36 66 1 1 {} {0.530806046492 0.416032727447 0.569706984507} H37 67 1 1 {} {0.550883224058 0.297083392261 0.574975175256} H38 68 1 1 {} {0.609832846851 0.433895482512 0.66512414143} H39 69 1 1 {} {0.630305443463 0.356285820964 0.66334493517} H40 70 1 1 {} {0.632787411024 0.269089280609 0.286589092552} H41 71 1 1 {} {0.617692082906 0.220181098986 0.37203015827} 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