#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 {} {0.360301001477 0.530841913864 0.423208879334} C1 1 1 14 {} {0.341485697349 0.497444331092 0.53444258131} Si1 2 1 14 {} {0.414633287092 0.575541645288 0.417948621052} Si2 3 1 8 {} {0.344781789522 0.557677239723 0.609642841813} O1 4 1 8 {} {0.288578121203 0.475394617949 0.526416345802} O2 5 1 6 {} {0.373145635251 0.421393921658 0.569735444109} C2 6 1 6 {} {0.463439793513 0.519091208382 0.411749203311} C3 7 1 8 {} {0.416793750688 0.618139343504 0.514561833303} O3 8 1 8 {} {0.414960485843 0.625904116511 0.329533670467} O4 9 1 14 {} {0.236264784345 0.480923481401 0.556948667529} Si3 10 1 7 {} {0.21662653816 0.402237822148 0.588392741604} N1 11 1 14 {} {0.180631042214 0.397972881364 0.680275140623} Si4 12 1 14 {} {0.232199763199 0.332253033011 0.524391025941} Si5 13 1 7 {} {0.233417830269 0.344715467145 0.410823942323} N2 14 1 7 {} {0.13311246798 0.446294065731 0.673134297813} N3 15 1 1 {} {0.360272319624 0.49024876267 0.373274790665} H1 16 1 1 {} {0.334937458644 0.567333394451 0.401147056463} H2 17 1 1 {} {0.368575537138 0.589819747915 0.596568205903} H3 18 1 1 {} {0.369812769283 0.380370285719 0.521279391046} H4 19 1 1 {} {0.360492639091 0.403298141841 0.63423918686} H5 20 1 1 {} {0.408868844211 0.432310347209 0.578011981062} H6 21 1 1 {} {0.49611550634 0.544544571766 0.412120827061} H7 22 1 1 {} {0.461665380445 0.487068081565 0.351853755807} H8 23 1 1 {} {0.462388349775 0.486521163865 0.470768989297} H9 24 1 1 {} {0.442597935727 0.646456355797 0.524551917698} H10 25 1 1 {} {0.444133969536 0.632536089446 0.302869402094} H11 26 1 1 {} {0.230486165284 0.526606294868 0.634961928636} H12 27 1 1 {} {0.210755959944 0.507531877986 0.479227443522} H13 28 1 1 {} {0.16772910823 0.326246167716 0.688493165116} H14 29 1 1 {} {0.20367126897 0.422333792769 0.762156309045} H15 30 1 1 {} {0.278137779065 0.310539751899 0.54929669009} H16 31 1 1 {} {0.199077138458 0.278813546978 0.544756183667} H17 32 1 1 {} {0.25987194462 0.368644070487 0.382869716851} H18 33 1 1 {} {0.204946076824 0.355357643073 0.376822637235} H19 34 1 1 {} {0.132918693417 0.493904057526 0.696830984659} H20 35 1 1 {} {0.110427544207 0.440314567919 0.623408341013} H21 36 1 6 {} {0.581700852974 0.35211431694 0.308504286231} C4 37 1 14 {} {0.577944095875 0.384124501238 0.426626987959} Si6 38 1 14 {} {0.565464811471 0.263183159148 0.290529996228} Si7 39 1 8 {} {0.607665621496 0.335818466133 0.493736450277} O5 40 1 8 {} {0.599125740159 0.460440276179 0.43062864991} O6 41 1 6 {} {0.519103501154 0.389551256154 0.463937331195} C5 42 1 6 {} {0.504558095959 0.252635598576 0.267053015314} C6 43 1 8 {} {0.580562737342 0.224598446747 0.384968148125} O7 44 1 8 {} {0.595131762009 0.226153458434 0.210698311044} O8 45 1 14 {} {0.642939662698 0.505599322501 0.459243436451} Si8 46 1 7 {} {0.627340598655 0.586678347158 0.486128987003} N4 47 1 14 {} {0.634095969721 0.614526878667 0.596825190349} Si9 48 1 14 {} {0.603530426844 0.640413774486 0.407547673595} Si10 49 1 7 {} {0.614716988491 0.620960530667 0.297829941227} N5 50 1 7 {} {0.686824973203 0.634357847212 0.633313025071} N6 51 1 1 {} {0.562074289663 0.384144171041 0.263081942587} H22 52 1 1 {} {0.616935871023 0.357364149242 0.288414955615} H23 53 1 1 {} {0.604127602919 0.288807027338 0.476625118027} H24 54 1 1 {} {0.501650256016 0.420709375701 0.41524067246} H25 55 1 1 {} {0.516806095077 0.414183895131 0.529431184217} H26 56 1 1 {} {0.50179370302 0.341117420264 0.466991274008} H27 57 1 1 {} {0.495316669397 0.199493991657 0.262478344562} H28 58 1 1 {} {0.4952448985 0.276733776062 0.203685650167} H29 59 1 1 {} {0.484160598821 0.275426312734 0.319911006311} H30 60 1 1 {} {0.583490922053 0.176297425102 0.382672511673} H31 61 1 1 {} {0.581955481939 0.222189150975 0.151961032205} H32 62 1 1 {} {0.664983028464 0.476922401728 0.539793834957} H33 63 1 1 {} {0.674616037498 0.50529449575 0.382575772496} H34 64 1 1 {} {0.606449661256 0.676499596852 0.603074950093} H35 65 1 1 {} {0.617579803663 0.561369878612 0.658209477298} H36 66 1 1 {} {0.55377293267 0.639642439982 0.414816272072} H37 67 1 1 {} {0.620496440529 0.709241533574 0.425198355349} H38 68 1 1 {} {0.598211912612 0.582716076051 0.267427828582} H39 69 1 1 {} {0.646332658487 0.624769998899 0.273411455931} H40 70 1 1 {} {0.708134357393 0.597139672308 0.65079555837} H41 71 1 1 {} {0.703738543917 0.673283514245 0.606003565146} 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