#MD System 2.0 @Title neb0_image07 @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 {} {0.216385587664 0.526196426019 0.329448399314} C1 1 1 14 {} {0.26971827979 0.488551207195 0.286990946472} Si1 2 1 14 {} {0.170182765778 0.535223711441 0.248464032151} Si2 3 1 8 {} {0.283736239011 0.524178958639 0.191462624302} O1 4 1 8 {} {0.309407791936 0.506413696857 0.360345110838} O2 5 1 6 {} {0.268699670352 0.396179127392 0.279504197836} C2 6 1 6 {} {0.138390268149 0.455352326087 0.230020874201} C3 7 1 8 {} {0.194452664762 0.560288190188 0.152682220584} O3 8 1 8 {} {0.134318887206 0.596712405772 0.273580524152} O4 9 1 14 {} {0.362423841885 0.53952659706 0.366205671391} Si3 10 1 7 {} {0.39761901625 0.47515473273 0.412086134737} N1 11 1 14 {} {0.455752153835 0.475654715674 0.374610809396} Si4 12 1 14 {} {0.376452405928 0.421366845455 0.491166298594} Si5 13 1 7 {} {0.347193719523 0.462391387521 0.573176420167} N2 14 1 7 {} {0.494165364316 0.551867174404 0.379530961444} N3 15 1 1 {} {0.204814372282 0.497598085347 0.388002459911} H1 16 1 1 {} {0.224236131772 0.577295575559 0.353222722279} H2 17 1 1 {} {0.257869224118 0.542783139713 0.159513298944} H3 18 1 1 {} {0.263839570382 0.373949942137 0.345798765868} H4 19 1 1 {} {0.300626397116 0.377933227311 0.253157435796} H5 20 1 1 {} {0.242290880599 0.379158577497 0.235529678826} H6 21 1 1 {} {0.1116830352 0.460987499803 0.179650363087} H7 22 1 1 {} {0.122964658129 0.436984215319 0.292609912159} H8 23 1 1 {} {0.161362439403 0.415678948868 0.206341184862} H9 24 1 1 {} {0.176793420125 0.583534758504 0.11061028267} H10 25 1 1 {} {0.106559364475 0.584994889795 0.300256462873} H11 26 1 1 {} {0.375251268427 0.558137061998 0.272959503094} H12 27 1 1 {} {0.360515391417 0.597178197029 0.424277293985} H13 28 1 1 {} {0.477866542436 0.41167970929 0.426529462471} H14 29 1 1 {} {0.455976524721 0.474263338371 0.2778322329} H15 30 1 1 {} {0.345478424986 0.373337943905 0.44396943146} H16 31 1 1 {} {0.417281201466 0.388117799508 0.52443857086} H17 32 1 1 {} {0.314657672261 0.474931527671 0.559782572398} H18 33 1 1 {} {0.365885112905 0.489263485577 0.616678272513} H19 34 1 1 {} {0.50832978094 0.571184534121 0.325894333171} H20 35 1 1 {} {0.496139790907 0.5740902778 0.457689769844} H21 36 1 6 {} {0.635876176337 0.646479379568 0.4843837343} C4 37 1 14 {} {0.601836765197 0.575165981228 0.433219256072} Si6 38 1 14 {} {0.637540761737 0.729458980718 0.436705570671} Si7 39 1 8 {} {0.604153628018 0.58106576616 0.316796913452} O5 40 1 8 {} {0.619804355994 0.497854033251 0.45596426651} O6 41 1 6 {} {0.539412907138 0.582359036876 0.471315220314} C5 42 1 6 {} {0.59348794672 0.776358911434 0.484290963408} C6 43 1 8 {} {0.63750532434 0.712658743052 0.329071602732} O7 44 1 8 {} {0.686246385966 0.760872297874 0.456561760044} O8 45 1 14 {} {0.633732726851 0.419179838211 0.432691774942} Si8 46 1 7 {} {0.587625936522 0.369769090658 0.448272150898} N4 47 1 14 {} {0.571054738777 0.322366040703 0.364670478017} Si9 48 1 14 {} {0.563657782018 0.369738096337 0.558068663716} Si10 49 1 7 {} {0.598752513531 0.386475198211 0.643306815682} N5 50 1 7 {} {0.604355794409 0.259351553421 0.325463848926} N6 51 1 1 {} {0.634917384347 0.640069609526 0.558222091532} H22 52 1 1 {} {0.666768071439 0.610279879198 0.461331240648} H23 53 1 1 {} {0.617003243714 0.629046474526 0.302536877306} H24 54 1 1 {} {0.535498887915 0.562265688766 0.546021244528} H25 55 1 1 {} {0.519482619612 0.550037418036 0.431417550721} H26 56 1 1 {} {0.528210290343 0.642648481747 0.467121082461} H27 57 1 1 {} {0.593634877194 0.825544315596 0.453765527207} H28 58 1 1 {} {0.595642831948 0.781178660252 0.557049666506} H29 59 1 1 {} {0.562674203802 0.750507174022 0.468060517446} H30 60 1 1 {} {0.644805112814 0.752598332596 0.294570143471} H31 61 1 1 {} {0.688731564038 0.800865830384 0.498316042974} H32 62 1 1 {} {0.6460681628 0.418724578078 0.334663700124} H33 63 1 1 {} {0.672705759928 0.402485172012 0.485566987799} H34 64 1 1 {} {0.528006979397 0.290999608342 0.395203393406} H35 65 1 1 {} {0.560815400506 0.364791489848 0.282179065661} H36 66 1 1 {} {0.526729551201 0.416489047661 0.559822238541} H37 67 1 1 {} {0.547211761076 0.298385163937 0.567725230801} H38 68 1 1 {} {0.605661719017 0.434741419383 0.658256046427} H39 69 1 1 {} {0.625657102931 0.35646173588 0.655438721096} H40 70 1 1 {} {0.629096289222 0.270102726633 0.280967492613} H41 71 1 1 {} {0.613992445973 0.221787020585 0.366771093854} 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