#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 {} {0.210299818455 0.527761790562 0.31823605536} C1 1 1 14 {} {0.264215052619 0.490754152782 0.276432073683} Si1 2 1 14 {} {0.163608000407 0.53623705642 0.237265370672} Si2 3 1 8 {} {0.276785379519 0.523767874133 0.178562907955} O1 4 1 8 {} {0.304172373038 0.511074053059 0.347362758165} O2 5 1 6 {} {0.262251829871 0.397573960973 0.269439677441} C2 6 1 6 {} {0.132056442837 0.456537773714 0.219538511704} C3 7 1 8 {} {0.188094383514 0.562085771385 0.142962625787} O3 8 1 8 {} {0.128259198991 0.597346391626 0.264259557295} O4 9 1 14 {} {0.355652893103 0.539990800374 0.352518345754} Si3 10 1 7 {} {0.390339974396 0.477046335616 0.394199146028} N1 11 1 14 {} {0.444676713803 0.475367578536 0.352987852789} Si4 12 1 14 {} {0.3700304723 0.422847271135 0.476964622104} Si5 13 1 7 {} {0.340898742718 0.460658012505 0.562348174458} N2 14 1 7 {} {0.466283467273 0.555321443576 0.358553198837} N3 15 1 1 {} {0.198680780061 0.499148839755 0.37671195337} H1 16 1 1 {} {0.218146384699 0.578599119333 0.342404000056} H2 17 1 1 {} {0.251281511201 0.543986820671 0.147859584014} H3 18 1 1 {} {0.257090237991 0.374574454762 0.335268236141} H4 19 1 1 {} {0.29396976744 0.378542495774 0.242676576544} H5 20 1 1 {} {0.235477677328 0.380495180118 0.224727869852} H6 21 1 1 {} {0.105545079077 0.46274398924 0.169477255659} H7 22 1 1 {} {0.116515302402 0.438804253834 0.281717653305} H8 23 1 1 {} {0.154451249619 0.416724803913 0.195916091717} H9 24 1 1 {} {0.16958954591 0.58519393685 0.0997744610882} H10 25 1 1 {} {0.0998670771945 0.584982052946 0.290292881441} H11 26 1 1 {} {0.372074169601 0.559966725082 0.262661446217} H12 27 1 1 {} {0.354549177394 0.598849881122 0.413604917165} H13 28 1 1 {} {0.468875134305 0.423229954051 0.405771341738} H14 29 1 1 {} {0.446932984554 0.457968899247 0.256263949619} H15 30 1 1 {} {0.33857330592 0.373702150066 0.436645621012} H16 31 1 1 {} {0.40952664435 0.388605348901 0.516180791727} H17 32 1 1 {} {0.309283233718 0.477139131748 0.551373147971} H18 33 1 1 {} {0.356903435097 0.49106689989 0.606334173793} H19 34 1 1 {} {0.489644934194 0.570004000114 0.313345824181} H20 35 1 1 {} {0.472053781007 0.577425622866 0.418557807293} H21 36 1 6 {} {0.649996300007 0.638131138062 0.494404437498} C4 37 1 14 {} {0.61058071615 0.574294061595 0.446658529363} Si6 38 1 14 {} {0.647542518016 0.724735115055 0.449522610665} Si7 39 1 8 {} {0.607974622057 0.582572958233 0.337002125673} O5 40 1 8 {} {0.630201626073 0.499508957286 0.47081838291} O6 41 1 6 {} {0.553676717106 0.580482974342 0.49628354354} C5 42 1 6 {} {0.599963529739 0.775191582244 0.494258231418} C6 43 1 8 {} {0.643319837133 0.713930357486 0.339070552205} O7 44 1 8 {} {0.695155582746 0.766128156846 0.46520646589} O8 45 1 14 {} {0.640748389746 0.421604558267 0.442939615685} Si8 46 1 7 {} {0.595383467045 0.369450445121 0.4610237895} N4 47 1 14 {} {0.575844741729 0.320230580723 0.372473756486} Si9 48 1 14 {} {0.57071268125 0.366096540927 0.56753059168} Si10 49 1 7 {} {0.605929186593 0.384864753386 0.654466807689} N5 50 1 7 {} {0.610859136113 0.257518076134 0.335167188076} N6 51 1 1 {} {0.645794036406 0.639598216159 0.567470388136} H22 52 1 1 {} {0.684048823163 0.619356790876 0.481958461218} H23 53 1 1 {} {0.620411471363 0.62481862923 0.315049368668} H24 54 1 1 {} {0.553653518452 0.570586058275 0.568413939319} H25 55 1 1 {} {0.531969862805 0.543157801152 0.464417210484} H26 56 1 1 {} {0.539026033563 0.630271607925 0.484933649001} H27 57 1 1 {} {0.599210630611 0.825618913778 0.464869253918} H28 58 1 1 {} {0.602020484937 0.780707884474 0.56720180468} H29 59 1 1 {} {0.567891898974 0.751042884386 0.479091785237} H30 60 1 1 {} {0.651279506334 0.751346205633 0.301106673015} H31 61 1 1 {} {0.695514153664 0.801145528558 0.509865847012} H32 62 1 1 {} {0.652269713862 0.416579838334 0.346194548357} H33 63 1 1 {} {0.679932606001 0.401242351386 0.497734840845} H34 64 1 1 {} {0.534064022801 0.28821976466 0.405336774931} H35 65 1 1 {} {0.567661671425 0.363065687555 0.292901663225} H36 66 1 1 {} {0.533509726342 0.415474674111 0.573785768064} H37 67 1 1 {} {0.553542928063 0.296654281735 0.57919787284} H38 68 1 1 {} {0.612512230937 0.433469818772 0.669374110075} H39 69 1 1 {} {0.632962659075 0.355788156051 0.667593254252} H40 70 1 1 {} {0.635469678711 0.268576180645 0.290903192952} H41 71 1 1 {} {0.620386981076 0.219716584855 0.376384635611} 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