#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 {} {0.371497152384 0.580871270601 0.411343040382} C1 1 1 14 {} {0.348339465493 0.554164010835 0.521820648864} Si1 2 1 14 {} {0.433044834729 0.590019406623 0.406908941621} Si2 3 1 8 {} {0.361397921083 0.610841991959 0.597891382668} O1 4 1 8 {} {0.293298353106 0.552294679072 0.514996286497} O2 5 1 6 {} {0.367173601012 0.468908738814 0.556662072037} C2 6 1 6 {} {0.460183090418 0.506970061578 0.392641653061} C3 7 1 8 {} {0.445953791032 0.626491749595 0.505097487346} O3 8 1 8 {} {0.445401822784 0.643304509742 0.325104741542} O4 9 1 14 {} {0.242962390845 0.556903276708 0.556143784103} Si3 10 1 7 {} {0.223198352985 0.478753729852 0.590390812577} N1 11 1 14 {} {0.200760524683 0.470465403887 0.69789125836} Si4 12 1 14 {} {0.223766951625 0.41106871478 0.515278886686} Si5 13 1 7 {} {0.217683495956 0.432308814072 0.404843353687} N2 14 1 7 {} {0.150304851368 0.509514402541 0.718010471224} N3 15 1 1 {} {0.36161085771 0.545042792254 0.359065603531} H1 16 1 1 {} {0.355898981176 0.629222792684 0.394272904745} H2 17 1 1 {} {0.391258349635 0.629232575894 0.588265704568} H3 18 1 1 {} {0.358537006842 0.430346010153 0.507343594522} H4 19 1 1 {} {0.351465191719 0.455097760067 0.620339610364} H5 20 1 1 {} {0.403500598573 0.467660149048 0.566520014867} H6 21 1 1 {} {0.496221397335 0.515239706272 0.389669008037} H7 22 1 1 {} {0.452884676172 0.484353830803 0.327123182255} H8 23 1 1 {} {0.455842963495 0.472084137538 0.449354337515} H9 24 1 1 {} {0.476752048629 0.640524590623 0.512553443666} H10 25 1 1 {} {0.476922416155 0.644824980228 0.309536010091} H11 26 1 1 {} {0.241168674575 0.601085337076 0.636440855141} H12 27 1 1 {} {0.214003668801 0.585016375885 0.484560387843} H13 28 1 1 {} {0.194051433934 0.397382479764 0.71212984156} H14 29 1 1 {} {0.232308493774 0.499678867082 0.763876201558} H15 30 1 1 {} {0.267051466804 0.374535554076 0.521138904987} H16 31 1 1 {} {0.186178922623 0.366432897594 0.541878857585} H17 32 1 1 {} {0.244691063616 0.446932087087 0.36881444601} H18 33 1 1 {} {0.189683385719 0.455693252081 0.382695755987} H19 34 1 1 {} {0.149546667766 0.559150147121 0.732982311681} H20 35 1 1 {} {0.122274566913 0.495763868819 0.684400031359} H21 36 1 6 {} {0.620593195217 0.612301626282 0.351426182136} C4 37 1 14 {} {0.579260726932 0.549675378511 0.389253650573} Si6 38 1 14 {} {0.613782403197 0.700270116467 0.388303020749} Si7 39 1 8 {} {0.532237724406 0.59290076387 0.383471738619} O5 40 1 8 {} {0.576966637609 0.485243342535 0.321855221849} O6 41 1 6 {} {0.587432850404 0.517293008227 0.504343635742} C5 42 1 6 {} {0.631727729088 0.717479168347 0.505478050975} C6 43 1 8 {} {0.558805205917 0.715865264034 0.376747307089} O7 44 1 8 {} {0.641341359267 0.749802371129 0.318408262109} O8 45 1 14 {} {0.57051563474 0.424652569236 0.249224133206} Si8 46 1 7 {} {0.582987502518 0.346500896838 0.292165696477} N4 47 1 14 {} {0.539376794126 0.290164847477 0.315669644672} Si9 48 1 14 {} {0.637588585116 0.321140965879 0.317374388312} Si10 49 1 7 {} {0.678652791065 0.367314991085 0.266226317456} N5 50 1 7 {} {0.515470476539 0.247042290297 0.228713413383} N6 51 1 1 {} {0.653484188628 0.593896997696 0.370175959133} H22 52 1 1 {} {0.618580513683 0.612659564883 0.278023489222} H23 53 1 1 {} {0.532077519629 0.642333983782 0.379019398209} H24 54 1 1 {} {0.619379010814 0.4907460997 0.507140066788} H25 55 1 1 {} {0.561038735085 0.482006212286 0.524132481205} H26 56 1 1 {} {0.588121537034 0.558011960764 0.553611419792} H27 57 1 1 {} {0.626491176421 0.77024662863 0.5236318753} H28 58 1 1 {} {0.667319268811 0.706050481756 0.514786498413} H29 59 1 1 {} {0.612783028534 0.686900206333 0.553229624099} H30 60 1 1 {} {0.548296621182 0.76155740237 0.373757943192} H31 61 1 1 {} {0.659270314652 0.785497944201 0.343428152936} H32 62 1 1 {} {0.522823352412 0.422652993418 0.220381802294} H33 63 1 1 {} {0.599731438148 0.440652065326 0.171719169187} H34 64 1 1 {} {0.559375482084 0.239443744283 0.376811921221} H35 65 1 1 {} {0.502586578732 0.328259320138 0.358937751038} H36 66 1 1 {} {0.64687097906 0.327216994049 0.414920231628} H37 67 1 1 {} {0.641392210297 0.249707242997 0.289263966333} H38 68 1 1 {} {0.691916989397 0.408119598193 0.296554678787} H39 69 1 1 {} {0.681609390692 0.370281225801 0.198846859537} H40 70 1 1 {} {0.493297515706 0.270284809059 0.18776051343} H41 71 1 1 {} {0.532917435031 0.211582229652 0.194771313999} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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