#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 {} {0.20253935096 0.529206170381 0.305628325257} C1 1 1 14 {} {0.256433792032 0.492143078015 0.263778935678} Si1 2 1 14 {} {0.155828263358 0.537653271951 0.224660303344} Si2 3 1 8 {} {0.269007937184 0.52522469148 0.165949624515} O1 4 1 8 {} {0.296464040003 0.512339487212 0.334665707394} O2 5 1 6 {} {0.254460925459 0.398971014553 0.256856342741} C2 6 1 6 {} {0.124257839704 0.457976589984 0.206919749922} C3 7 1 8 {} {0.180300103159 0.563395991488 0.130309119381} O3 8 1 8 {} {0.120512207306 0.598788600906 0.251748779998} O4 9 1 14 {} {0.347918325623 0.541357899861 0.339877119724} Si3 10 1 7 {} {0.382685400644 0.478524823215 0.381616018548} N1 11 1 14 {} {0.437109677942 0.476928456512 0.340732547904} Si4 12 1 14 {} {0.362288906509 0.424285902322 0.464321476472} Si5 13 1 7 {} {0.333108902352 0.462042682054 0.549705416849} N2 14 1 7 {} {0.45912479704 0.55664194001 0.346971742271} N3 15 1 1 {} {0.190883944377 0.500602518521 0.364070531251} H1 16 1 1 {} {0.210372387401 0.580059797834 0.329735510117} H2 17 1 1 {} {0.243509299663 0.545445358438 0.135205113114} H3 18 1 1 {} {0.249303880737 0.375956042094 0.322686057144} H4 19 1 1 {} {0.286185469438 0.379936571713 0.230096445741} H5 20 1 1 {} {0.227679422172 0.381924721141 0.212145715505} H6 21 1 1 {} {0.0977436745446 0.464205153036 0.156862544594} H7 22 1 1 {} {0.108713164671 0.440274186487 0.269116669162} H8 23 1 1 {} {0.146645368826 0.418136312915 0.183312661181} H9 24 1 1 {} {0.161807727014 0.586623940666 0.0872027072975} H10 25 1 1 {} {0.0920962831905 0.586386372123 0.277711631726} H11 26 1 1 {} {0.364326472982 0.561435013482 0.250006181902} H12 27 1 1 {} {0.346757259974 0.600244975564 0.400955701078} H13 28 1 1 {} {0.461082011763 0.424408294475 0.393242643859} H14 29 1 1 {} {0.4391858751 0.459587753555 0.243922723091} H15 30 1 1 {} {0.330819689596 0.375147286646 0.424001024911} H16 31 1 1 {} {0.401754726544 0.390018219557 0.503565826772} H17 32 1 1 {} {0.301496430459 0.478510782069 0.538723367269} H18 33 1 1 {} {0.349091233927 0.492502876601 0.593683943513} H19 34 1 1 {} {0.481960180267 0.571576904139 0.300857411016} H20 35 1 1 {} {0.464969878463 0.578831852368 0.406851875468} H21 36 1 6 {} {0.657681259209 0.636705814201 0.507012388138} C4 37 1 14 {} {0.618207102601 0.572820108355 0.459178766984} Si6 38 1 14 {} {0.655320258581 0.723343071338 0.462100222639} Si7 39 1 8 {} {0.615971789693 0.581058018106 0.349510442436} O5 40 1 8 {} {0.637997908237 0.498096262057 0.483514773641} O6 41 1 6 {} {0.56106632634 0.57891297785 0.50825668677} C5 42 1 6 {} {0.607727397706 0.773790513883 0.506863505413} C6 43 1 8 {} {0.651247048776 0.7124626758 0.351608839223} O7 44 1 8 {} {0.702888305077 0.764824694036 0.477755588999} O8 45 1 14 {} {0.648549400283 0.420228292515 0.45558356618} Si8 46 1 7 {} {0.6031743671 0.368052932426 0.473634736451} N4 47 1 14 {} {0.583597287558 0.318851093079 0.385117039892} Si9 48 1 14 {} {0.578501750916 0.364622175281 0.580122320872} Si10 49 1 7 {} {0.613667114126 0.383413300261 0.66709543932} N5 50 1 7 {} {0.618611679377 0.256133832088 0.34778108476} N6 51 1 1 {} {0.653588111987 0.638223679971 0.580108375359} H22 52 1 1 {} {0.69175800642 0.617989989383 0.494513932139} H23 53 1 1 {} {0.628221245188 0.623424160339 0.327609353751} H24 54 1 1 {} {0.561156919216 0.569023294314 0.580418549457} H25 55 1 1 {} {0.538983810583 0.541960157699 0.476485603736} H26 56 1 1 {} {0.546603189194 0.628855028572 0.497349714578} H27 57 1 1 {} {0.606976935896 0.824208792379 0.47749017825} H28 58 1 1 {} {0.609809183874 0.779296694722 0.579806299704} H29 59 1 1 {} {0.575653189228 0.749632049978 0.491738523212} H30 60 1 1 {} {0.659116485793 0.749948365025 0.313681825672} H31 61 1 1 {} {0.703268333108 0.799754357474 0.522506373163} H32 62 1 1 {} {0.660048708208 0.41513791692 0.358830991378} H33 63 1 1 {} {0.687713653624 0.399773899822 0.51038146006} H34 64 1 1 {} {0.541813903192 0.28685870237 0.41796183693} H35 65 1 1 {} {0.575440673047 0.3616585553 0.305505636746} H36 66 1 1 {} {0.541253304229 0.413938163699 0.586336002182} H37 67 1 1 {} {0.561350351836 0.295164644978 0.591759647158} H38 68 1 1 {} {0.62025401015 0.43203665966 0.681905566913} H39 69 1 1 {} {0.640713154573 0.354383986219 0.680200817464} H40 70 1 1 {} {0.643191712217 0.267161677255 0.30345613578} H41 71 1 1 {} {0.628129131712 0.218260905523 0.38892841065} 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