#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 {} {0.219922347735 0.525862356604 0.334739428834} C1 1 1 14 {} {0.272743178052 0.488013840734 0.292470453848} Si1 2 1 14 {} {0.173715679102 0.53483502346 0.254524786504} Si2 3 1 8 {} {0.286755524278 0.519941345932 0.194860795488} O1 4 1 8 {} {0.30929760127 0.511219765096 0.368499047252} O2 5 1 6 {} {0.2727298738 0.395259549058 0.287029578062} C2 6 1 6 {} {0.142551030573 0.454766829575 0.236307940871} C3 7 1 8 {} {0.198233838041 0.561546811243 0.160229514731} O3 8 1 8 {} {0.137942164837 0.595268101423 0.282439335684} O4 9 1 14 {} {0.361978329153 0.536682463009 0.369378825298} Si3 10 1 7 {} {0.394800015955 0.468840432494 0.406080657546} N1 11 1 14 {} {0.447369683114 0.470691625363 0.352319865033} Si4 12 1 14 {} {0.378740250807 0.41850543321 0.494152618068} Si5 13 1 7 {} {0.351105101636 0.459576020661 0.578730678733} N2 14 1 7 {} {0.462068477451 0.552227116613 0.33501572907} N3 15 1 1 {} {0.209012125348 0.497359465509 0.393735770437} H1 16 1 1 {} {0.228908774656 0.576407278126 0.358549500032} H2 17 1 1 {} {0.261979064581 0.541910931232 0.164182295494} H3 18 1 1 {} {0.267590386908 0.372468363445 0.352875667162} H4 19 1 1 {} {0.304559335836 0.37661337298 0.260510772706} H5 20 1 1 {} {0.246253879658 0.378087226961 0.242314190405} H6 21 1 1 {} {0.115949302796 0.460725897093 0.186168557865} H7 22 1 1 {} {0.127070535963 0.437312951372 0.298989439446} H8 23 1 1 {} {0.165076467235 0.414700634032 0.213131498029} H9 24 1 1 {} {0.179834554324 0.583710599848 0.117090913027} H10 25 1 1 {} {0.11008508981 0.581940775792 0.308616812704} H11 26 1 1 {} {0.374869728351 0.556560507098 0.277153498191} H12 27 1 1 {} {0.365866967158 0.594404266361 0.429741465221} H13 28 1 1 {} {0.480131846708 0.436861745153 0.408416701104} H14 29 1 1 {} {0.449466808457 0.439939153537 0.266257717044} H15 30 1 1 {} {0.347611871255 0.367639949967 0.458444031775} H16 31 1 1 {} {0.419696806717 0.387699239195 0.530951756454} H17 32 1 1 {} {0.319002307039 0.474615860544 0.568332715654} H18 33 1 1 {} {0.368121294242 0.488322430437 0.622912184077} H19 34 1 1 {} {0.487701935112 0.572518173883 0.31944403879} H20 35 1 1 {} {0.447856577023 0.583565349227 0.376741244861} H21 36 1 6 {} {0.648009366404 0.64641735351 0.478205815342} C4 37 1 14 {} {0.609030834996 0.577285373174 0.439724609903} Si6 38 1 14 {} {0.639173388077 0.730264845634 0.430613566349} Si7 39 1 8 {} {0.593648617077 0.586805525377 0.334053370517} O5 40 1 8 {} {0.627439167953 0.499934561348 0.452409821683} O6 41 1 6 {} {0.556722714381 0.581867332398 0.507338794325} C5 42 1 6 {} {0.590770527587 0.775599383054 0.477076536634} C6 43 1 8 {} {0.63445199525 0.715814414022 0.322238675612} O7 44 1 8 {} {0.684479214936 0.773893251131 0.444457482801} O8 45 1 14 {} {0.632295186119 0.421058065735 0.426827108838} Si8 46 1 7 {} {0.584802493083 0.372428967401 0.442749059624} N4 47 1 14 {} {0.566160832612 0.323239622073 0.357299989363} Si9 48 1 14 {} {0.560848576133 0.368582997329 0.551823218064} Si10 49 1 7 {} {0.596562412326 0.386218955188 0.637485490118} N5 50 1 7 {} {0.599717910366 0.259715103651 0.317563931433} N6 51 1 1 {} {0.643451571942 0.645078520824 0.551145375643} H22 52 1 1 {} {0.682293682035 0.629059546104 0.467454906229} H23 53 1 1 {} {0.606533556855 0.62567300297 0.303350046444} H24 54 1 1 {} {0.561511674283 0.586169070707 0.576689716989} H25 55 1 1 {} {0.542487704534 0.535225669954 0.498299053056} H26 56 1 1 {} {0.534334071432 0.620355243663 0.487805851038} H27 57 1 1 {} {0.589748315471 0.82558306058 0.447101809227} H28 58 1 1 {} {0.591999701072 0.782106656051 0.54975708984} H29 59 1 1 {} {0.559029488672 0.751334871962 0.461292079424} H30 60 1 1 {} {0.640289845276 0.753527474774 0.28322819046} H31 61 1 1 {} {0.685745867974 0.806668280867 0.492929364905} H32 62 1 1 {} {0.642036776872 0.417238812677 0.32856721648} H33 63 1 1 {} {0.670466248498 0.399029949184 0.479889506835} H34 64 1 1 {} {0.523898855798 0.290747103526 0.388741658236} H35 65 1 1 {} {0.556899494258 0.365479112866 0.275868812111} H36 66 1 1 {} {0.523914910356 0.416540648974 0.55981400901} H37 67 1 1 {} {0.543565782641 0.298116870816 0.561719915164} H38 68 1 1 {} {0.601856665764 0.434483841644 0.653519061956} H39 69 1 1 {} {0.623534124192 0.357751890661 0.651008863753} H40 70 1 1 {} {0.624409912795 0.270483983745 0.272822029559} H41 71 1 1 {} {0.608957605509 0.220922644197 0.357595970487} 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