#MD System 2.0 @Title neb0_image02 @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 {} {0.205084879732 0.52873940333 0.30982542603} C1 1 1 14 {} {0.25902173754 0.491742526603 0.268065866555} Si1 2 1 14 {} {0.158371042333 0.537203648867 0.228870554774} Si2 3 1 8 {} {0.271618298837 0.524811100729 0.170239195978} O1 4 1 8 {} {0.299021660204 0.511976471212 0.338959485418} O2 5 1 6 {} {0.257051017801 0.398560512571 0.261039696047} C2 6 1 6 {} {0.126844758905 0.457476809779 0.211105773015} C3 7 1 8 {} {0.182858202385 0.562959532349 0.134540293372} O3 8 1 8 {} {0.123050456942 0.598370834045 0.255824833641} O4 9 1 14 {} {0.350505447093 0.540927995303 0.344110489494} Si3 10 1 7 {} {0.385247339636 0.478038720443 0.385745921082} N1 11 1 14 {} {0.439653992245 0.476423425989 0.344801365922} Si4 12 1 14 {} {0.364881256783 0.42384017979 0.468524076399} Si5 13 1 7 {} {0.335709795778 0.461582754614 0.553936131715} N2 14 1 7 {} {0.461630984091 0.5561252193 0.350953770536} N3 15 1 1 {} {0.19348259439 0.500110408724 0.368302665066} H1 16 1 1 {} {0.21294664609 0.579573561862 0.333980550414} H2 17 1 1 {} {0.246110742802 0.544942790593 0.139453084609} H3 18 1 1 {} {0.25189514281 0.375533753706 0.326850912225} H4 19 1 1 {} {0.288768763739 0.379519778875 0.23427670795} H5 20 1 1 {} {0.230281958691 0.381470965331 0.216325570295} H6 21 1 1 {} {0.100338637365 0.463694350677 0.161035347337} H7 22 1 1 {} {0.111303825742 0.439743411127 0.273286973505} H8 23 1 1 {} {0.149260690303 0.417680997033 0.187487180659} H9 24 1 1 {} {0.164380209004 0.586135117395 0.0913725200045} H10 25 1 1 {} {0.0946689183636 0.585972783325 0.281879208126} H11 26 1 1 {} {0.366889250561 0.560934378348 0.254225902809} H12 27 1 1 {} {0.34935726641 0.599795862863 0.40516642311} H13 28 1 1 {} {0.463666939806 0.424021523764 0.397400065969} H14 29 1 1 {} {0.441769576221 0.459088265548 0.248016071837} H15 30 1 1 {} {0.33340972807 0.374687949701 0.428247408033} H16 31 1 1 {} {0.404342462642 0.389555716827 0.507799732792} H17 32 1 1 {} {0.304096889744 0.478079551091 0.54293879804} H18 33 1 1 {} {0.351697831189 0.492035614195 0.597904559665} H19 34 1 1 {} {0.484523399208 0.571093143943 0.305025882338} H20 35 1 1 {} {0.467422251847 0.578351784413 0.410852449104} H21 36 1 6 {} {0.655110592206 0.637112784931 0.502809693142} C4 37 1 14 {} {0.61561828638 0.573275309292 0.454970648357} Si6 38 1 14 {} {0.652721550765 0.723760711513 0.45797753075} Si7 39 1 8 {} {0.613258373136 0.581579545736 0.34533440321} O5 40 1 8 {} {0.635359438402 0.498541421031 0.479215242816} O6 41 1 6 {} {0.55854518373 0.579411108377 0.504143056209} C5 42 1 6 {} {0.605161296171 0.774235777652 0.502735324279} C6 43 1 8 {} {0.648419473778 0.71300354758 0.347508659918} O7 44 1 8 {} {0.700341282172 0.765167195817 0.473578954406} O8 45 1 14 {} {0.645954907202 0.420674131784 0.451318540711} Si8 46 1 7 {} {0.600629378002 0.36845911554 0.469416752104} N4 47 1 14 {} {0.581070619307 0.319252460047 0.380868869932} Si9 48 1 14 {} {0.575905610629 0.365107938566 0.575810841147} Si10 49 1 7 {} {0.61118933051 0.383940542466 0.662738654403} N5 50 1 7 {} {0.616020850718 0.256527586595 0.343520702159} N6 51 1 1 {} {0.650987300544 0.638647101924 0.575894469448} H22 52 1 1 {} {0.689186555088 0.618379689904 0.490354582787} H23 53 1 1 {} {0.625624556169 0.623893095375 0.32346101693} H24 54 1 1 {} {0.558650808334 0.569504951731 0.57629380911} H25 55 1 1 {} {0.536528693042 0.542415646747 0.472313335784} H26 56 1 1 {} {0.544084137497 0.629352495644 0.493178984527} H27 57 1 1 {} {0.604406184124 0.824650875189 0.473302278618} H28 58 1 1 {} {0.607207503071 0.779765130172 0.575675657221} H29 59 1 1 {} {0.573096239342 0.750077566869 0.487528377588} H30 60 1 1 {} {0.656476375995 0.750378252968 0.309548190964} H31 61 1 1 {} {0.700700497554 0.800175045183 0.518250595183} H32 62 1 1 {} {0.657457222981 0.415597029677 0.354578026663} H33 63 1 1 {} {0.685117238664 0.400291348853 0.506144891353} H34 64 1 1 {} {0.539289948476 0.287329197062 0.413786179735} H35 65 1 1 {} {0.572883366427 0.362127140507 0.301370827851} H36 66 1 1 {} {0.538709044536 0.414497617753 0.582218804389} H37 67 1 1 {} {0.558752466137 0.295680237187 0.587669050617} H38 68 1 1 {} {0.617677781338 0.432480760249 0.677806618574} H39 69 1 1 {} {0.63813175259 0.354845355201 0.6760185934} H40 70 1 1 {} {0.640660670476 0.267624926653 0.299302021803} H41 71 1 1 {} {0.625578747043 0.218739453671 0.384793044541} 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