#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 {} {0.202619814511 0.529266427651 0.305269730852} C1 1 1 14 {} {0.256444628436 0.491867121322 0.263535150702} Si1 2 1 14 {} {0.155880694048 0.537574470432 0.224565339009} Si2 3 1 8 {} {0.268836007458 0.524359015971 0.165269615031} O1 4 1 8 {} {0.296706051938 0.511942188086 0.333985295778} O2 5 1 6 {} {0.254355860718 0.39866183838 0.257006095043} C2 6 1 6 {} {0.124178729432 0.458040835367 0.206968330889} C3 7 1 8 {} {0.180193527352 0.563161154238 0.129994153411} O3 8 1 8 {} {0.120727863014 0.598560301379 0.2525580965} O4 9 1 14 {} {0.348021040842 0.541388321431 0.339818160559} Si3 10 1 7 {} {0.382858143641 0.478766684096 0.381848330501} N1 11 1 14 {} {0.43727861101 0.476812197487 0.340933515371} Si4 12 1 14 {} {0.362376455854 0.424267639905 0.464275668692} Si5 13 1 7 {} {0.332953350047 0.461747272985 0.54965600214} N2 14 1 7 {} {0.45940939142 0.556350072054 0.347374770985} N3 15 1 1 {} {0.190901256393 0.500823306605 0.363828224982} H1 16 1 1 {} {0.210535546337 0.580164807694 0.329183238188} H2 17 1 1 {} {0.243532358368 0.545432870991 0.134846517552} H3 18 1 1 {} {0.249156979012 0.37556660935 0.322738805366} H4 19 1 1 {} {0.2860546242 0.379546867632 0.230309388911} H5 20 1 1 {} {0.22755909127 0.381819498325 0.21223461667} H6 21 1 1 {} {0.0977116984637 0.464502964936 0.156880888393} H7 22 1 1 {} {0.108542978016 0.44055137276 0.269159784172} H8 23 1 1 {} {0.146398945199 0.417998760362 0.183389817877} H9 24 1 1 {} {0.161662810906 0.586775756589 0.0872664547312} H10 25 1 1 {} {0.0921615495872 0.585938365208 0.27796814243} H11 26 1 1 {} {0.36449363774 0.561631427341 0.250292456375} H12 27 1 1 {} {0.346643126151 0.600069307325 0.40083384049} H13 28 1 1 {} {0.461007584486 0.424024908321 0.392992852447} H14 29 1 1 {} {0.439157304552 0.459559025835 0.244202443947} H15 30 1 1 {} {0.330974806501 0.375166982766 0.423643267204} H16 31 1 1 {} {0.401878005274 0.389885902437 0.503391211657} H17 32 1 1 {} {0.301368715603 0.478101417051 0.538297420925} H18 33 1 1 {} {0.348801874784 0.492612433063 0.593452892836} H19 34 1 1 {} {0.482149093861 0.571465513818 0.300991991942} H20 35 1 1 {} {0.465319130667 0.578793394471 0.406829844744} H21 36 1 6 {} {0.657708131982 0.637128568564 0.5070516427} C4 37 1 14 {} {0.618237306557 0.572957869478 0.459619416577} Si6 38 1 14 {} {0.655346581529 0.723571643996 0.461845663889} Si7 39 1 8 {} {0.616049595797 0.580992358929 0.349876348164} O5 40 1 8 {} {0.638381178128 0.498415715553 0.484088361319} O6 41 1 6 {} {0.561019152394 0.578826496876 0.508655741692} C5 42 1 6 {} {0.60768309447 0.773999611545 0.506554976313} C6 43 1 8 {} {0.652066385887 0.71230973984 0.35137814947} O7 44 1 8 {} {0.702726418226 0.765703946219 0.477482518581} O8 45 1 14 {} {0.648631641825 0.420392898642 0.456051506064} Si8 46 1 7 {} {0.603192630865 0.368293895703 0.473734044761} N4 47 1 14 {} {0.583545652182 0.319171986945 0.385183305994} Si9 48 1 14 {} {0.578477873243 0.36433750197 0.580084778187} Si10 49 1 7 {} {0.613525057339 0.383342237344 0.66738349282} N5 50 1 7 {} {0.618380484947 0.256399319714 0.347589494266} N6 51 1 1 {} {0.653774605949 0.638557294329 0.580151214239} H22 52 1 1 {} {0.691809237086 0.618623586698 0.494205306151} H23 53 1 1 {} {0.628250031258 0.623262522403 0.327673618571} H24 54 1 1 {} {0.560823804229 0.56924107604 0.58089977806} H25 55 1 1 {} {0.538962742691 0.541762619358 0.477049749679} H26 56 1 1 {} {0.546410304708 0.628623611428 0.497418348613} H27 57 1 1 {} {0.606870308847 0.824524776949 0.477389256776} H28 58 1 1 {} {0.609905107269 0.779490823708 0.579554142874} H29 59 1 1 {} {0.575504946968 0.749937426445 0.491899155687} H30 60 1 1 {} {0.659438486813 0.74999322629 0.313436611155} H31 61 1 1 {} {0.703144112428 0.800140629046 0.522875559996} H32 62 1 1 {} {0.660113323092 0.415303258176 0.3592088557} H33 63 1 1 {} {0.68783277277 0.399704739862 0.510865983391} H34 64 1 1 {} {0.541705256824 0.287373861406 0.418006649886} H35 65 1 1 {} {0.575399553182 0.361893760777 0.305502840134} H36 66 1 1 {} {0.540976540941 0.41321171051 0.586562206385} H37 67 1 1 {} {0.561640082891 0.294628575733 0.591566167891} H38 68 1 1 {} {0.620069754832 0.432166413048 0.68151785477} H39 69 1 1 {} {0.640674507404 0.354547578874 0.680437924712} H40 70 1 1 {} {0.642796605523 0.267207242038 0.302970413448} H41 71 1 1 {} {0.627753304572 0.218067507696 0.38824475148} 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