#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 {} {0.210430070559 0.527762823847 0.318299530607} C1 1 1 14 {} {0.264274801097 0.490625388536 0.276510521497} Si1 2 1 14 {} {0.163743150779 0.53620718939 0.237398654706} Si2 3 1 8 {} {0.276772597494 0.523278128403 0.178360242542} O1 4 1 8 {} {0.304205803622 0.511174994563 0.347423821901} O2 5 1 6 {} {0.262331139712 0.397456800466 0.269712159072} C2 6 1 6 {} {0.132161649074 0.456526755583 0.219721160724} C3 7 1 8 {} {0.188153426826 0.5621361169 0.143068730285} O3 8 1 8 {} {0.128374750394 0.597175141019 0.26470901888} O4 9 1 14 {} {0.355696218047 0.540103915338 0.352749539101} Si3 10 1 7 {} {0.390323834759 0.476984326066 0.394306950961} N1 11 1 14 {} {0.444413264968 0.475213690047 0.352223642456} Si4 12 1 14 {} {0.370089986159 0.422756932282 0.477258873833} Si5 13 1 7 {} {0.340937900135 0.460565365049 0.562613022301} N2 14 1 7 {} {0.465241597154 0.555648208257 0.356715905645} N3 15 1 1 {} {0.198792963174 0.499170275378 0.376775098262} H1 16 1 1 {} {0.218318072047 0.578601084035 0.342404688117} H2 17 1 1 {} {0.251380715542 0.54394944386 0.147878905276} H3 18 1 1 {} {0.257136495629 0.374388375414 0.33547532791} H4 19 1 1 {} {0.294038448709 0.37840226622 0.242949405723} H5 20 1 1 {} {0.235557120975 0.38049825881 0.22492853355} H6 21 1 1 {} {0.105655266201 0.462817352962 0.169658234518} H7 22 1 1 {} {0.116585917923 0.43887155144 0.281935010241} H8 23 1 1 {} {0.154505107098 0.416627767453 0.196120810911} H9 24 1 1 {} {0.16963461205 0.585237271864 0.0999830605347} H10 25 1 1 {} {0.099988740796 0.584754368704 0.29057489474} H11 26 1 1 {} {0.372161712917 0.560023732128 0.262969855896} H12 27 1 1 {} {0.354632064999 0.5988605571 0.413871406241} H13 28 1 1 {} {0.468960040922 0.423532730885 0.405584773004} H14 29 1 1 {} {0.446811202561 0.45716946341 0.255852325135} H15 30 1 1 {} {0.338671366928 0.373610898784 0.436791881299} H16 31 1 1 {} {0.409655928456 0.388563236212 0.516239633297} H17 32 1 1 {} {0.309318048408 0.477066519537 0.551467948113} H18 33 1 1 {} {0.356904075766 0.491086955893 0.606479853811} H19 34 1 1 {} {0.489569841142 0.569448387145 0.312948360306} H20 35 1 1 {} {0.470603873056 0.577639166592 0.416968288345} H21 36 1 6 {} {0.650242675953 0.638342329554 0.494217058972} C4 37 1 14 {} {0.610855620583 0.574524071436 0.447073718749} Si6 38 1 14 {} {0.647534269576 0.724891258313 0.449237636466} Si7 39 1 8 {} {0.607467612284 0.582758758062 0.337415126617} O5 40 1 8 {} {0.630421029493 0.499596208309 0.470743781568} O6 41 1 6 {} {0.554280579905 0.580649875835 0.497713273096} C5 42 1 6 {} {0.599864311619 0.775264594547 0.494001919482} C6 43 1 8 {} {0.643439817416 0.713861287447 0.338789071822} O7 44 1 8 {} {0.695028523824 0.766379968393 0.464921562198} O8 45 1 14 {} {0.640704808701 0.421626421732 0.442921189981} Si8 46 1 7 {} {0.595285899572 0.369576761437 0.460927079105} N4 47 1 14 {} {0.575730597122 0.320311427189 0.372288846652} Si9 48 1 14 {} {0.570612594668 0.366074824509 0.567381871924} Si10 49 1 7 {} {0.605859343309 0.384909201016 0.654363988734} N5 50 1 7 {} {0.610690018264 0.257568462801 0.334905692013} N6 51 1 1 {} {0.645826134776 0.639648096063 0.567213648049} H22 52 1 1 {} {0.684318670802 0.619744103273 0.481800610572} H23 53 1 1 {} {0.620187662322 0.624703282149 0.314930632272} H24 54 1 1 {} {0.554128878038 0.571197894867 0.569949117036} H25 55 1 1 {} {0.533255862548 0.542482554982 0.465902735512} H26 56 1 1 {} {0.539252301518 0.629977052435 0.485420028721} H27 57 1 1 {} {0.599109343722 0.825718439204 0.464622544513} H28 58 1 1 {} {0.601935710708 0.780808113895 0.56695755612} H29 59 1 1 {} {0.567753996762 0.751179553458 0.478928262741} H30 60 1 1 {} {0.651214655927 0.751376132646 0.300796446234} H31 61 1 1 {} {0.695412912854 0.801296693385 0.509768155682} H32 62 1 1 {} {0.652185474649 0.416662796573 0.346132680875} H33 63 1 1 {} {0.679901152752 0.401260091216 0.497734026221} H34 64 1 1 {} {0.533978852668 0.288343993157 0.405105706835} H35 65 1 1 {} {0.567542452768 0.363137249973 0.292688041663} H36 66 1 1 {} {0.533353159996 0.415342999071 0.57386624199} H37 67 1 1 {} {0.553521912996 0.296543068405 0.579021168891} H38 68 1 1 {} {0.612387651155 0.433482396648 0.669112438564} H39 69 1 1 {} {0.632878518369 0.355873290005 0.667516663647} H40 70 1 1 {} {0.635309828078 0.268591380632 0.29054203471} H41 71 1 1 {} {0.620173183538 0.219662850787 0.375967515145} 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