#MD System 2.0 @Title neb0_image08 @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 {} {0.220937305023 0.525811618503 0.335520415248} C1 1 1 14 {} {0.274890926094 0.488816067986 0.29372339643} Si1 2 1 14 {} {0.174267202514 0.5342822759 0.254493688453} Si2 3 1 8 {} {0.287451372336 0.52189553615 0.195897009223} O1 4 1 8 {} {0.314828634199 0.509199904986 0.364608692867} O2 5 1 6 {} {0.27290716527 0.395631595587 0.286658899623} C2 6 1 6 {} {0.142697732414 0.454581263885 0.236774405518} C3 7 1 8 {} {0.198759839696 0.560218353463 0.160250193487} O3 8 1 8 {} {0.13889789562 0.595346510734 0.281439542529} O4 9 1 14 {} {0.366326724867 0.538014637415 0.369649277253} Si3 10 1 7 {} {0.400626156799 0.474878789312 0.411737895456} N1 11 1 14 {} {0.453794815793 0.471901991572 0.368160382405} Si4 12 1 14 {} {0.380533973085 0.420981664355 0.494651478177} Si5 13 1 7 {} {0.351524951133 0.458680214995 0.579720450045} N2 14 1 7 {} {0.471851988746 0.554340057181 0.368277478887} N3 15 1 1 {} {0.209329548792 0.497185965707 0.393978905163} H1 16 1 1 {} {0.228788168062 0.576642892887 0.359675253037} H2 17 1 1 {} {0.261939214729 0.542022220627 0.165126198427} H3 18 1 1 {} {0.267748113656 0.372649084254 0.35249081354} H4 19 1 1 {} {0.304620673538 0.376588267956 0.259909064864} H5 20 1 1 {} {0.246130673177 0.378537531833 0.241972585829} H6 21 1 1 {} {0.116186102874 0.46077719825 0.18670808878} H7 22 1 1 {} {0.127160673113 0.436833871721 0.298964340941} H8 23 1 1 {} {0.165103159023 0.41477564353 0.213151429568} H9 24 1 1 {} {0.180234224872 0.583226116823 0.117011517442} H10 25 1 1 {} {0.110511453696 0.583046257406 0.30752288454} H11 26 1 1 {} {0.382674267299 0.557993556609 0.279931004132} H12 27 1 1 {} {0.36522165504 0.596810230493 0.430765492086} H13 28 1 1 {} {0.479532330529 0.42204801616 0.422574515965} H14 29 1 1 {} {0.457656272755 0.455471656307 0.27270453267} H15 30 1 1 {} {0.349260953717 0.371789444845 0.453888363277} H16 31 1 1 {} {0.420178619441 0.386695071203 0.533303866585} H17 32 1 1 {} {0.319975365072 0.475185166609 0.568591105279} H18 33 1 1 {} {0.367543086626 0.489081432342 0.623539573673} H19 34 1 1 {} {0.49893913957 0.567702219895 0.330808853854} H20 35 1 1 {} {0.477117174384 0.576220508546 0.428707164579} H21 36 1 6 {} {0.639759072119 0.640274828705 0.47705781818} C4 37 1 14 {} {0.60124551954 0.576701379823 0.430237311772} Si6 38 1 14 {} {0.636968842954 0.726678430813 0.432304036388} Si7 39 1 8 {} {0.596980388853 0.584598819983 0.320340345751} O5 40 1 8 {} {0.619530342896 0.501338210273 0.453399529849} O6 41 1 6 {} {0.546573725383 0.584282730412 0.484033809815} C5 42 1 6 {} {0.58933598333 0.777114390457 0.477016192023} C6 43 1 8 {} {0.632624141806 0.715836371152 0.321796502095} O7 44 1 8 {} {0.684520133921 0.768075146314 0.447954687802} O8 45 1 14 {} {0.630048251718 0.423388382063 0.425712907827} Si8 46 1 7 {} {0.584741609023 0.371433194157 0.443856695325} N4 47 1 14 {} {0.56533166898 0.321881333284 0.355285590748} Si9 48 1 14 {} {0.559989805261 0.368028287122 0.54999524502} Si10 49 1 7 {} {0.595353482186 0.386787165908 0.636987048282} N5 50 1 7 {} {0.600164836673 0.259329846231 0.317751468945} N6 51 1 1 {} {0.635106300994 0.641495533983 0.550022373449} H22 52 1 1 {} {0.673602393568 0.621406673988 0.464720038481} H23 53 1 1 {} {0.609679842671 0.62668711035 0.297935159154} H24 54 1 1 {} {0.543909602845 0.57294523696 0.554942085559} H25 55 1 1 {} {0.52814193491 0.543567812946 0.452951643635} H26 56 1 1 {} {0.529281619617 0.631479014023 0.468528748617} H27 57 1 1 {} {0.588558646239 0.827554233437 0.447629214026} H28 58 1 1 {} {0.591370095474 0.782645586721 0.549967450812} H29 59 1 1 {} {0.557247042347 0.75299708264 0.461852589091} H30 60 1 1 {} {0.640614995636 0.753283639899 0.283877299797} H31 61 1 1 {} {0.684868797197 0.803090932902 0.492587846907} H32 62 1 1 {} {0.64161471167 0.418559673912 0.328915642311} H33 63 1 1 {} {0.669278823686 0.403280051903 0.480485808736} H34 64 1 1 {} {0.523450526224 0.29022567099 0.3881695018} H35 65 1 1 {} {0.557015957662 0.365024996134 0.27585879463} H36 66 1 1 {} {0.522997763747 0.417464266688 0.557109066867} H37 67 1 1 {} {0.542859637905 0.298601470986 0.562084821808} H38 68 1 1 {} {0.601855922192 0.435411437016 0.6522597501} H39 69 1 1 {} {0.622379751447 0.357690154007 0.650446187343} H40 70 1 1 {} {0.624805851832 0.270562548509 0.273729344785} H41 71 1 1 {} {0.609722279815 0.221718471944 0.359116804478} 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