#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 {} {0.22099298897 0.525820698781 0.335654490832} C1 1 1 14 {} {0.274964158074 0.488780599242 0.293831177488} Si1 2 1 14 {} {0.174337236963 0.53427281252 0.254571181643} Si2 3 1 8 {} {0.287510467103 0.521861655675 0.196027944624} O1 4 1 8 {} {0.314943125607 0.509232529259 0.364687388783} O2 5 1 6 {} {0.272973044986 0.395634061691 0.286759878025} C2 6 1 6 {} {0.142760911185 0.454571455142 0.236896519373} C3 7 1 8 {} {0.198831417301 0.560219796095 0.160371276587} O3 8 1 8 {} {0.138975585637 0.595293279685 0.281549260477} O4 9 1 14 {} {0.366424281884 0.537862816409 0.369844784715} Si3 10 1 7 {} {0.40095497511 0.475001995756 0.411717259492} N1 11 1 14 {} {0.45311597481 0.471103603325 0.367634718598} Si4 12 1 14 {} {0.380536518264 0.421200771101 0.495046429519} Si5 13 1 7 {} {0.351597031586 0.458657992653 0.579782734009} N2 14 1 7 {} {0.470276897732 0.554190144044 0.366550341572} N3 15 1 1 {} {0.209403127392 0.497173450571 0.394067428068} H1 16 1 1 {} {0.22886121449 0.576627457373 0.359774410892} H2 17 1 1 {} {0.262007460119 0.542014212165 0.16522023284} H3 18 1 1 {} {0.267818114407 0.372635566711 0.352576969161} H4 19 1 1 {} {0.304683853825 0.376566004568 0.26003300637} H5 20 1 1 {} {0.246201486711 0.378525828337 0.242094460222} H6 21 1 1 {} {0.116253788207 0.460770867527 0.186813838525} H7 22 1 1 {} {0.127224701282 0.436818942032 0.299085115023} H8 23 1 1 {} {0.165172243782 0.414764813099 0.213262366451} H9 24 1 1 {} {0.180297492886 0.583215329093 0.117121592473} H10 25 1 1 {} {0.110577988829 0.583032517153 0.307638300364} H11 26 1 1 {} {0.382755696868 0.558007603538 0.280095454024} H12 27 1 1 {} {0.365288897954 0.596794250499 0.430840033834} H13 28 1 1 {} {0.479641756145 0.422133131322 0.422715293156} H14 29 1 1 {} {0.457812585997 0.455709239682 0.273294353214} H15 30 1 1 {} {0.349343943184 0.371785383559 0.45394437678} H16 31 1 1 {} {0.420265362044 0.386665177502 0.533369415241} H17 32 1 1 {} {0.320126896317 0.475135693058 0.568705465826} H18 33 1 1 {} {0.367570766706 0.488993908623 0.623509863986} H19 34 1 1 {} {0.499027143005 0.567889816844 0.331232483635} H20 35 1 1 {} {0.47617033036 0.576450684782 0.427065787724} H21 36 1 6 {} {0.639546952724 0.640155292455 0.476827077033} C4 37 1 14 {} {0.601120649974 0.576685668139 0.43070886672} Si6 38 1 14 {} {0.63692788124 0.72665763058 0.432281184922} Si7 39 1 8 {} {0.596794395129 0.584510266578 0.320009853661} O5 40 1 8 {} {0.619390737222 0.501522281074 0.453270978529} O6 41 1 6 {} {0.548024445326 0.584659117816 0.48539445409} C5 42 1 6 {} {0.589273507138 0.777153735095 0.476896190874} C6 43 1 8 {} {0.632552929784 0.715823293628 0.321635583196} O7 44 1 8 {} {0.684425814875 0.768083001978 0.447861513295} O8 45 1 14 {} {0.62989715653 0.423276047713 0.425618510219} Si8 46 1 7 {} {0.58471893164 0.371604610268 0.444060119109} N4 47 1 14 {} {0.565399360822 0.32156493517 0.355151398169} Si9 48 1 14 {} {0.559786540311 0.368050404921 0.549368992347} Si10 49 1 7 {} {0.595242771084 0.38677644857 0.636834381372} N5 50 1 7 {} {0.600105394673 0.259320820353 0.317619188771} N6 51 1 1 {} {0.635024086332 0.641509568759 0.549920170362} H22 52 1 1 {} {0.673416415802 0.62139123396 0.464587421923} H23 53 1 1 {} {0.609667337767 0.626819921284 0.29775633327} H24 54 1 1 {} {0.543806374696 0.572864050994 0.555019505696} H25 55 1 1 {} {0.529905398339 0.543367771575 0.454431719681} H26 56 1 1 {} {0.529270718932 0.631536820693 0.468417606288} H27 57 1 1 {} {0.588483541798 0.827569222116 0.447516318854} H28 58 1 1 {} {0.59129987449 0.782657044132 0.54986754657} H29 59 1 1 {} {0.557171532567 0.753017142178 0.461746493104} H30 60 1 1 {} {0.640550523825 0.753305134285 0.283756398525} H31 61 1 1 {} {0.684801496012 0.803079168005 0.492448006036} H32 62 1 1 {} {0.641555573133 0.418595209884 0.328781323254} H33 63 1 1 {} {0.669217847464 0.403319650007 0.4803960495} H34 64 1 1 {} {0.52337606238 0.29027754961 0.388064510132} H35 65 1 1 {} {0.556930837118 0.365089921781 0.27571717349} H36 66 1 1 {} {0.522978422509 0.41744097189 0.557129668887} H37 67 1 1 {} {0.54279885075 0.298597202539 0.562045037936} H38 68 1 1 {} {0.601811646594 0.435568591107 0.652233252215} H39 69 1 1 {} {0.622424884531 0.35760342278 0.650431840799} H40 70 1 1 {} {0.624672618079 0.270569698783 0.27372805502} H41 71 1 1 {} {0.609606878742 0.221866014701 0.358889761138} 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