#MD System 2.0 @Title neb0_image04 @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 {} {0.210269146913 0.527763906987 0.318216896009} C1 1 1 14 {} {0.264194413098 0.49077726335 0.276423041491} Si1 2 1 14 {} {0.16358176473 0.536258167067 0.237233058035} Si2 3 1 8 {} {0.276787747026 0.523855067155 0.178605467656} O1 4 1 8 {} {0.304172420371 0.511058310629 0.347355019616} O2 5 1 6 {} {0.262239383771 0.397599983718 0.269388377782} C2 6 1 6 {} {0.132039176639 0.456545149359 0.219504476338} C3 7 1 8 {} {0.188080946799 0.562076194727 0.142946151936} O3 8 1 8 {} {0.128238223486 0.597367724441 0.264176793913} O4 9 1 14 {} {0.355655310354 0.53999529216 0.352487611187} Si3 10 1 7 {} {0.390368063749 0.477074351988 0.394137600816} N1 11 1 14 {} {0.444696850741 0.475392490021 0.353066977016} Si4 12 1 14 {} {0.370023573309 0.422865849158 0.476916192441} Si5 13 1 7 {} {0.340894122172 0.460671134786 0.562289677936} N2 14 1 7 {} {0.466484663276 0.555234297574 0.358902660701} N3 15 1 1 {} {0.198663459258 0.499146512038 0.376699934568} H1 16 1 1 {} {0.218115094851 0.578592051996 0.342401041722} H2 17 1 1 {} {0.251263862228 0.543989781929 0.14785806146} H3 18 1 1 {} {0.257081847275 0.374611466159 0.335219731358} H4 19 1 1 {} {0.293953155071 0.378564572935 0.24262956665} H5 20 1 1 {} {0.235465366479 0.380490116436 0.224696122769} H6 21 1 1 {} {0.105523318078 0.462729844847 0.169440192519} H7 22 1 1 {} {0.116500225746 0.43878815539 0.281684828215} H8 23 1 1 {} {0.15444168335 0.416739767509 0.195877152415} H9 24 1 1 {} {0.16958212754 0.585183595005 0.0997424411906} H10 25 1 1 {} {0.0998476155329 0.585024862311 0.290238592081} H11 26 1 1 {} {0.372051431619 0.559950032136 0.262620885241} H12 27 1 1 {} {0.354532599308 0.598821590722 0.413530665068} H13 28 1 1 {} {0.468862860705 0.423184286752 0.405800071203} H14 29 1 1 {} {0.446949654444 0.458123794253 0.256414385284} H15 30 1 1 {} {0.338548799981 0.373709555987 0.436621626243} H16 31 1 1 {} {0.409499693275 0.388613169983 0.51617418106} H17 32 1 1 {} {0.309279676362 0.477153576871 0.551363232244} H18 33 1 1 {} {0.356898556698 0.491061470591 0.606302580996} H19 34 1 1 {} {0.489640188211 0.570114856567 0.313495967133} H20 35 1 1 {} {0.472332182765 0.577391709922 0.418766761664} H21 36 1 6 {} {0.649948615619 0.638076677635 0.494445403671} C4 37 1 14 {} {0.610515241304 0.574260664504 0.446605243656} Si6 38 1 14 {} {0.647563768437 0.724702672174 0.449589324739} Si7 39 1 8 {} {0.608067479962 0.582533839699 0.336913754769} O5 40 1 8 {} {0.630170272719 0.49947996069 0.470834801657} O6 41 1 6 {} {0.553556889562 0.580470097997 0.495996464056} C5 42 1 6 {} {0.599983634537 0.775173015036 0.494305486342} C6 43 1 8 {} {0.643295532424 0.71394652974 0.339123533469} O7 44 1 8 {} {0.695170139845 0.766088220323 0.465257110513} O8 45 1 14 {} {0.64074759028 0.421606788662 0.442953854492} Si8 46 1 7 {} {0.595401067359 0.369434675008 0.461058970897} N4 47 1 14 {} {0.575853259245 0.320202600163 0.37251218588} Si9 48 1 14 {} {0.570735029352 0.366112711978 0.567546781593} Si10 49 1 7 {} {0.605951166243 0.384861512102 0.654510716811} N5 50 1 7 {} {0.61088715487 0.257516277997 0.33521986485} N6 51 1 1 {} {0.645798794579 0.639596928392 0.567513656028} H22 52 1 1 {} {0.684005043877 0.619296798344 0.481996328211} H23 53 1 1 {} {0.620451994319 0.624845405028 0.315073451484} H24 54 1 1 {} {0.553571791871 0.57047199082 0.568111953993} H25 55 1 1 {} {0.5317192461 0.543300811701 0.464177851618} H26 56 1 1 {} {0.538989999048 0.630282796462 0.484851713608} H27 57 1 1 {} {0.599228395081 0.825610508296 0.464907960204} H28 58 1 1 {} {0.602038425496 0.780687957395 0.567248362035} H29 59 1 1 {} {0.567915387378 0.751015232377 0.47911842581} H30 60 1 1 {} {0.651292467047 0.751343966446 0.301155620016} H31 61 1 1 {} {0.695533308181 0.801117528248 0.509881364965} H32 62 1 1 {} {0.652289021886 0.416562038601 0.346191816375} H33 63 1 1 {} {0.679942984859 0.401231730877 0.497739263341} H34 64 1 1 {} {0.534085447326 0.288201487897 0.405374537011} H35 65 1 1 {} {0.567683600577 0.363059816012 0.292927599314} H36 66 1 1 {} {0.533542655645 0.415490923206 0.573762494486} H37 67 1 1 {} {0.553545962748 0.296667749396 0.579226589865} H38 68 1 1 {} {0.612532295868 0.433465677219 0.669416816603} H39 69 1 1 {} {0.632975002592 0.355771289675 0.667602611023} H40 70 1 1 {} {0.635502911318 0.268573366004 0.29096232906} H41 71 1 1 {} {0.620427066667 0.219722743818 0.37646585779} 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