#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 {} {0.202518068283 0.529206486168 0.305637870634} C1 1 1 14 {} {0.256429173985 0.492174024142 0.263811687475} Si1 2 1 14 {} {0.155819638419 0.537659407917 0.224654750808} Si2 3 1 8 {} {0.269018571725 0.525275302088 0.166002666343} O1 4 1 8 {} {0.296455173032 0.51236827808 0.334701424355} O2 5 1 6 {} {0.254470150834 0.398999474631 0.25684013883} C2 6 1 6 {} {0.124262590454 0.457972299477 0.206920091677} C3 7 1 8 {} {0.180311842032 0.563418085954 0.13032936528} O3 8 1 8 {} {0.120500446549 0.598797512062 0.251695361094} O4 9 1 14 {} {0.34791387707 0.541373818113 0.339878155865} Si3 10 1 7 {} {0.382677011148 0.478523058694 0.381580598143} N1 11 1 14 {} {0.437103300885 0.476926235957 0.340719906524} Si4 12 1 14 {} {0.362286947362 0.424290668315 0.46430422229} Si5 13 1 7 {} {0.333120469967 0.462057395193 0.549707102615} N2 14 1 7 {} {0.459100848763 0.5566378881 0.346942439399} N3 15 1 1 {} {0.19088885698 0.500586487812 0.3640912026} H1 16 1 1 {} {0.210366297009 0.580047668423 0.329771821408} H2 17 1 1 {} {0.243509574367 0.545438474456 0.135236425098} H3 18 1 1 {} {0.249313448711 0.37598716596 0.322665211362} H4 19 1 1 {} {0.286189807903 0.379954569589 0.230084164307} H5 20 1 1 {} {0.227690546617 0.381923607715 0.212147293663} H6 21 1 1 {} {0.0977479583867 0.464187300813 0.156863892851} H7 22 1 1 {} {0.108724200841 0.4402532166 0.269114172435} H8 23 1 1 {} {0.146660442414 0.418149369972 0.183310788953} H9 24 1 1 {} {0.16181587405 0.586612994301 0.0872014224511} H10 25 1 1 {} {0.0920933931179 0.586417643616 0.277693010876} H11 26 1 1 {} {0.364311011838 0.561410792757 0.250018808192} H12 27 1 1 {} {0.346763658039 0.600237837364 0.400945678392} H13 28 1 1 {} {0.461082848908 0.424452601095 0.393246961649} H14 29 1 1 {} {0.439187945541 0.459598876847 0.243926054542} H15 30 1 1 {} {0.330806888347 0.375142892348 0.424027762278} H16 31 1 1 {} {0.401747802096 0.390023914642 0.503588419889} H17 32 1 1 {} {0.301506759033 0.478540914956 0.538759149553} H18 33 1 1 {} {0.349105454065 0.492497357963 0.593698976401} H19 34 1 1 {} {0.481943682296 0.571586977093 0.300878111869} H20 35 1 1 {} {0.464951450956 0.578831667706 0.406823683638} H21 36 1 6 {} {0.657679243814 0.63668001118 0.507012553288} C4 37 1 14 {} {0.618197973619 0.572815951268 0.459150130363} Si6 38 1 14 {} {0.655314459681 0.723312306375 0.462115577641} Si7 39 1 8 {} {0.615964231318 0.581060845549 0.34948600918} O5 40 1 8 {} {0.637968305147 0.498084550369 0.48347997624} O6 41 1 6 {} {0.561071388186 0.578919358638 0.508228465351} C5 42 1 6 {} {0.60773543789 0.773773911457 0.506879224767} C6 43 1 8 {} {0.651186539931 0.712481452411 0.351631652628} O7 44 1 8 {} {0.702894462269 0.764765741114 0.477778810704} O8 45 1 14 {} {0.648537085808 0.42021680225 0.455554587434} Si8 46 1 7 {} {0.603172308941 0.368030579095 0.473620670203} N4 47 1 14 {} {0.583600808196 0.318826248583 0.385110185245} Si9 48 1 14 {} {0.578502013905 0.364642723349 0.580107273648} Si10 49 1 7 {} {0.61367789765 0.383419378185 0.667085276679} N5 50 1 7 {} {0.618626725184 0.256119957728 0.347795940679} N6 51 1 1 {} {0.653578199419 0.638204702103 0.580102670016} H22 52 1 1 {} {0.691754373164 0.61794444779 0.494539342672} H23 53 1 1 {} {0.6282209658 0.623433737734 0.327610674502} H24 54 1 1 {} {0.561184165199 0.569008072564 0.580385331894} H25 55 1 1 {} {0.538990150089 0.5419752889 0.476446072961} H26 56 1 1 {} {0.546619908617 0.628867179374 0.497340702391} H27 57 1 1 {} {0.606980979298 0.824193971552 0.477489942298} H28 58 1 1 {} {0.609803894464 0.779282387519 0.579824149288} H29 59 1 1 {} {0.575666167037 0.749612227251 0.491722610688} H30 60 1 1 {} {0.659095727914 0.749942692782 0.313697384136} H31 61 1 1 {} {0.703277989624 0.799731487456 0.522486237893} H32 62 1 1 {} {0.660047228025 0.415126957062 0.358796711495} H33 63 1 1 {} {0.687709349921 0.399775864444 0.510355376982} H34 64 1 1 {} {0.541822721396 0.286827608571 0.417960203673} H35 65 1 1 {} {0.5754444311 0.36164566925 0.305510862582} H36 66 1 1 {} {0.541269337684 0.413988109935 0.586321836927} H37 67 1 1 {} {0.561330777731 0.295190900851 0.591776040652} H38 68 1 1 {} {0.620267478708 0.432033903484 0.681936459172} H39 69 1 1 {} {0.640719319705 0.354370220847 0.680188278644} H40 70 1 1 {} {0.643217117813 0.267158084837 0.303489554546} H41 71 1 1 {} {0.628152682706 0.218277369721 0.388972557786} 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