#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 {} {0.202479038058 0.529218715847 0.305658588475} C1 1 1 14 {} {0.256399182098 0.492202902869 0.263859622061} Si1 2 1 14 {} {0.155810316436 0.537663426929 0.224612775626} Si2 3 1 8 {} {0.269029577722 0.525325377167 0.166058872094} O1 4 1 8 {} {0.296460430133 0.512393301604 0.334743682035} O2 5 1 6 {} {0.254480199855 0.399047184886 0.256818080964} C2 6 1 6 {} {0.124268697707 0.457977782308 0.206923545021} C3 7 1 8 {} {0.180326511924 0.563439443437 0.130356111165} O3 8 1 8 {} {0.120493650423 0.598797313185 0.251644443268} O4 9 1 14 {} {0.347915998129 0.541453892799 0.339847865149} Si3 10 1 7 {} {0.382681797088 0.47852950396 0.38152491111} N1 11 1 14 {} {0.437106580191 0.47690477711 0.340708326712} Si4 12 1 14 {} {0.362292893133 0.424274699991 0.464287905394} Si5 13 1 7 {} {0.333131420809 0.462066912231 0.549703771974} N2 14 1 7 {} {0.459066911005 0.556611559029 0.346919919663} N3 15 1 1 {} {0.190900291186 0.500569385243 0.364097503979} H1 16 1 1 {} {0.210364600389 0.580027659346 0.32980413974} H2 17 1 1 {} {0.243509868791 0.545433273673 0.135265367216} H3 18 1 1 {} {0.249325871692 0.376020706962 0.322620454252} H4 19 1 1 {} {0.286192363137 0.379962754671 0.230078064413} H5 20 1 1 {} {0.227708365584 0.381923319602 0.212164377503} H6 21 1 1 {} {0.0977517303724 0.464172074002 0.156862600124} H7 22 1 1 {} {0.108734040751 0.440227196778 0.26912010211} H8 23 1 1 {} {0.146679126534 0.418162422223 0.183309432511} H9 24 1 1 {} {0.161825278247 0.586597284845 0.0872117069715} H10 25 1 1 {} {0.0920880847447 0.586451682802 0.277676873387} H11 26 1 1 {} {0.364283339351 0.561367843029 0.250093276503} H12 27 1 1 {} {0.346771660562 0.600195224162 0.400902021289} H13 28 1 1 {} {0.461073307223 0.424524343507 0.393228365653} H14 29 1 1 {} {0.439188862434 0.459616381594 0.243955569781} H15 30 1 1 {} {0.330793931356 0.375142853146 0.424062508251} H16 31 1 1 {} {0.401737518337 0.390031183874 0.503611180192} H17 32 1 1 {} {0.301519191957 0.478579509202 0.53880877579} H18 33 1 1 {} {0.349114390517 0.492494018703 0.593713202324} H19 34 1 1 {} {0.481921998694 0.571602148947 0.300931667468} H20 35 1 1 {} {0.464938386946 0.578832690654 0.406757719395} H21 36 1 6 {} {0.657675519383 0.636638614379 0.50700104688} C4 37 1 14 {} {0.61818029207 0.572835355361 0.459125395128} Si6 38 1 14 {} {0.655338763423 0.72328674653 0.462134057469} Si7 39 1 8 {} {0.615959475672 0.581061899501 0.349447702127} O5 40 1 8 {} {0.637942374127 0.498070157758 0.483452374949} O6 41 1 6 {} {0.561070507203 0.578924879456 0.508216235692} C5 42 1 6 {} {0.607749017064 0.773764657587 0.50689862255} C6 43 1 8 {} {0.651125613883 0.712500801725 0.351651929903} O7 44 1 8 {} {0.702868675368 0.764700417581 0.477815122618} O8 45 1 14 {} {0.648523484594 0.420204355683 0.455526861129} Si8 46 1 7 {} {0.603158605849 0.368002194286 0.473645014947} N4 47 1 14 {} {0.583587293555 0.318781040122 0.385134717604} Si9 48 1 14 {} {0.5785093161 0.364669405776 0.580015514198} Si10 49 1 7 {} {0.613688664135 0.383421715465 0.667090442287} N5 50 1 7 {} {0.618642883118 0.256108008483 0.347805985977} N6 51 1 1 {} {0.653570003021 0.638183476953 0.580098768884} H22 52 1 1 {} {0.691747643067 0.617904488922 0.494573053177} H23 53 1 1 {} {0.628220640371 0.623446335835 0.327609128963} H24 54 1 1 {} {0.561211385784 0.568995363959 0.580338235062} H25 55 1 1 {} {0.539000462834 0.541999940003 0.476407875412} H26 56 1 1 {} {0.54664035617 0.628868210475 0.497331873887} H27 57 1 1 {} {0.606983572449 0.824180933218 0.477483260787} H28 58 1 1 {} {0.609796805693 0.779266723868 0.579859079417} H29 59 1 1 {} {0.575677180859 0.749589508194 0.49170317281} H30 60 1 1 {} {0.65907427456 0.749938792772 0.313710181324} H31 61 1 1 {} {0.703289871516 0.799693925151 0.522445368594} H32 62 1 1 {} {0.660047309895 0.415114787456 0.358746876988} H33 63 1 1 {} {0.687711135987 0.399775626229 0.510337168625} H34 64 1 1 {} {0.541844147915 0.286805253638 0.417945953616} H35 65 1 1 {} {0.575448260161 0.361636301064 0.305504924578} H36 66 1 1 {} {0.541280320229 0.414048821307 0.586309934594} H37 67 1 1 {} {0.561306884426 0.295201329215 0.591799051819} H38 68 1 1 {} {0.620284066099 0.432046315282 0.681974368589} H39 69 1 1 {} {0.640734524157 0.354348285388 0.680181944865} H40 70 1 1 {} {0.643246389873 0.267155371604 0.303518400851} H41 71 1 1 {} {0.628176723207 0.218292170127 0.389025145924} 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