#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 {} {0.221026865002 0.525814604186 0.335698346882} C1 1 1 14 {} {0.274991566013 0.488779398859 0.29387956027} Si1 2 1 14 {} {0.174368122915 0.534264925324 0.254615700029} Si2 3 1 8 {} {0.287537467419 0.521841968936 0.196077630435} O1 4 1 8 {} {0.314967527222 0.509228899804 0.364735466399} O2 5 1 6 {} {0.273005403987 0.395627375032 0.286811815092} C2 6 1 6 {} {0.142791559022 0.454564988849 0.236943392709} C3 7 1 8 {} {0.198865611549 0.560221821962 0.160425422216} O3 8 1 8 {} {0.139008652741 0.595278932471 0.281602226717} O4 9 1 14 {} {0.366460861355 0.537885127075 0.369865240596} Si3 10 1 7 {} {0.400856663786 0.474947169778 0.411877272509} N1 11 1 14 {} {0.453067678286 0.470877841433 0.367504029092} Si4 12 1 14 {} {0.38058242651 0.421163047016 0.49506349557} Si5 13 1 7 {} {0.351606606021 0.458674783162 0.579882248548} N2 14 1 7 {} {0.470075861354 0.554608462745 0.366069641405} N3 15 1 1 {} {0.209432645695 0.497166515185 0.394116251854} H1 16 1 1 {} {0.228894262627 0.576626169073 0.359820935929} H2 17 1 1 {} {0.262037546393 0.5420099076 0.165263087353} H3 18 1 1 {} {0.26784763556 0.372626509601 0.352622036856} H4 19 1 1 {} {0.30471259917 0.376555619494 0.260085962521} H5 20 1 1 {} {0.246230580396 0.378521570073 0.242144045061} H6 21 1 1 {} {0.116283959274 0.460768461885 0.186862410581} H7 22 1 1 {} {0.127253394302 0.436815277749 0.299136682606} H8 23 1 1 {} {0.165200319323 0.41475945283 0.213312960097} H9 24 1 1 {} {0.180323201816 0.5832136014 0.11716659601} H10 25 1 1 {} {0.110605689964 0.583020834057 0.307692721127} H11 26 1 1 {} {0.382777896272 0.557999404669 0.2801593843} H12 27 1 1 {} {0.365321608734 0.596778158542 0.430886192846} H13 28 1 1 {} {0.479660800102 0.422221519918 0.422688748581} H14 29 1 1 {} {0.457836265062 0.455597191682 0.273175029549} H15 30 1 1 {} {0.349381016157 0.371792857575 0.453997523537} H16 31 1 1 {} {0.420290927721 0.386669259601 0.53340172487} H17 32 1 1 {} {0.32015645162 0.475128346505 0.56874960312} H18 33 1 1 {} {0.367598852488 0.488988769794 0.623560988334} H19 34 1 1 {} {0.498819879049 0.5677432041 0.331387458497} H20 35 1 1 {} {0.475648285069 0.576390761156 0.426253748855} H21 36 1 6 {} {0.639577649099 0.640206868069 0.476787346915} C4 37 1 14 {} {0.60130556235 0.576756891938 0.430607949531} Si6 38 1 14 {} {0.63689806598 0.726655389653 0.432215249695} Si7 39 1 8 {} {0.596720061181 0.584552490294 0.320103660369} O5 40 1 8 {} {0.619381383067 0.50145548037 0.453201703688} O6 41 1 6 {} {0.54810427671 0.584937492284 0.485451611235} C5 42 1 6 {} {0.58924383854 0.7771552231 0.476850368717} C6 43 1 8 {} {0.632529782814 0.715827525852 0.321586507591} O7 44 1 8 {} {0.684400343457 0.768100722532 0.447811910811} O8 45 1 14 {} {0.62987851374 0.423318927327 0.425612031694} Si8 46 1 7 {} {0.58467526617 0.371562993716 0.44389282724} N4 47 1 14 {} {0.565350575586 0.321639790116 0.355150904251} Si9 48 1 14 {} {0.559796594727 0.368067133127 0.549474421221} Si10 49 1 7 {} {0.595178561261 0.386762251606 0.636697945562} N5 50 1 7 {} {0.600097386209 0.259273169272 0.317534640177} N6 51 1 1 {} {0.634994407484 0.641508442171 0.549838278813} H22 52 1 1 {} {0.673422178028 0.621417013005 0.464536867598} H23 53 1 1 {} {0.609614756657 0.626782980188 0.297741965089} H24 54 1 1 {} {0.543884286638 0.572899323145 0.555654552836} H25 55 1 1 {} {0.530481570977 0.543256569802 0.45491370016} H26 56 1 1 {} {0.529385796844 0.63135024882 0.46851708795} H27 57 1 1 {} {0.588452989307 0.827578256519 0.447462891075} H28 58 1 1 {} {0.591269060155 0.782664122131 0.549815872106} H29 59 1 1 {} {0.55714332337 0.753028634736 0.461699302716} H30 60 1 1 {} {0.640519044927 0.753304967568 0.283707645279} H31 61 1 1 {} {0.684772071769 0.803086999023 0.492396359392} H32 62 1 1 {} {0.641522859064 0.418603246544 0.328729995418} H33 63 1 1 {} {0.669187699906 0.403335004067 0.480345429722} H34 64 1 1 {} {0.523353610517 0.29028723636 0.388016791917} H35 65 1 1 {} {0.556903577082 0.365082850012 0.275701989938} H36 66 1 1 {} {0.522947099703 0.417455243605 0.557132773166} H37 67 1 1 {} {0.542764712052 0.29859204346 0.561995334852} H38 68 1 1 {} {0.601782825675 0.435567924187 0.652186697539} H39 69 1 1 {} {0.622402180953 0.357610436529 0.6503921568} H40 70 1 1 {} {0.624638213956 0.270579297957 0.27367391807} H41 71 1 1 {} {0.609571039316 0.221867025971 0.358833848834} 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