#MD System 2.0 @Title neb0_image09 @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 {} {0.223907378513 0.524420298891 0.34159609461} C1 1 1 14 {} {0.277277790422 0.486432890047 0.301113522084} Si1 2 1 14 {} {0.177037045587 0.534019600243 0.260221784656} Si2 3 1 8 {} {0.289847197456 0.52003113887 0.2045470112} O1 4 1 8 {} {0.322748737137 0.508430824491 0.363002524304} O2 5 1 6 {} {0.275985579699 0.395420207999 0.292977047311} C2 6 1 6 {} {0.145458608024 0.454114448504 0.241660689228} C3 7 1 8 {} {0.201406167958 0.560101314615 0.165349302673} O3 8 1 8 {} {0.140506749005 0.594991964608 0.286086200472} O4 9 1 14 {} {0.373046032557 0.543344467493 0.37775754456} Si3 10 1 7 {} {0.404199939989 0.477483461801 0.409630026841} N1 11 1 14 {} {0.459224506831 0.477589346372 0.357658214554} Si4 12 1 14 {} {0.381569607081 0.416844282206 0.50190980315} Si5 13 1 7 {} {0.353913460175 0.463397107355 0.585876991125} N2 14 1 7 {} {0.466349512147 0.542455068172 0.386767310001} N3 15 1 1 {} {0.211337838014 0.496605105014 0.400076879787} H1 16 1 1 {} {0.231238399935 0.576100117454 0.364594152152} H2 17 1 1 {} {0.266224905399 0.541412821502 0.171940533515} H3 18 1 1 {} {0.271206121411 0.371869037803 0.357646586992} H4 19 1 1 {} {0.307742914503 0.377133017035 0.266403897284} H5 20 1 1 {} {0.250190391939 0.377355705917 0.248713915723} H6 21 1 1 {} {0.1188487331 0.459094236311 0.191299320048} H7 22 1 1 {} {0.130430383044 0.43614562908 0.30451805227} H8 23 1 1 {} {0.16869697459 0.414730373349 0.218708671714} H9 24 1 1 {} {0.18385471406 0.583095133156 0.121984088779} H10 25 1 1 {} {0.113283550636 0.582827954657 0.313959235575} H11 26 1 1 {} {0.389599969529 0.580152211253 0.276982057213} H12 27 1 1 {} {0.36919799947 0.593545202298 0.435618899653} H13 28 1 1 {} {0.477177378861 0.425037591441 0.412121330785} H14 29 1 1 {} {0.456329627603 0.461182525882 0.283982865917} H15 30 1 1 {} {0.350277877294 0.365804565989 0.459614481418} H16 31 1 1 {} {0.42658803376 0.386339472946 0.535848972724} H17 32 1 1 {} {0.319123352123 0.472513441622 0.569932900465} H18 33 1 1 {} {0.375922580337 0.487696786551 0.629476633097} H19 34 1 1 {} {0.485308310252 0.551977589539 0.318143835041} H20 35 1 1 {} {0.453831387312 0.557914201939 0.407103411674} H21 36 1 6 {} {0.637086152264 0.663053280452 0.474764511046} C4 37 1 14 {} {0.603644457567 0.577949983939 0.444556680054} Si6 38 1 14 {} {0.629662486698 0.739905273375 0.423267874589} Si7 39 1 8 {} {0.598858618009 0.586079011604 0.327121033901} O5 40 1 8 {} {0.616957069411 0.499758659643 0.436971723875} O6 41 1 6 {} {0.547322474586 0.584812524084 0.497820300425} C5 42 1 6 {} {0.587180633522 0.776545239074 0.47222927099} C6 43 1 8 {} {0.632519900017 0.712278037846 0.315804843475} O7 44 1 8 {} {0.678931454271 0.763138474385 0.443044252043} O8 45 1 14 {} {0.627830933235 0.416762770284 0.420146685382} Si8 46 1 7 {} {0.579328339951 0.37116464702 0.436890499156} N4 47 1 14 {} {0.562915562735 0.323503871786 0.351420998309} Si9 48 1 14 {} {0.557669761054 0.370691938097 0.545538196114} Si10 49 1 7 {} {0.592929740912 0.386141036488 0.632562180063} N5 50 1 7 {} {0.596821303838 0.261786393499 0.314200132901} N6 51 1 1 {} {0.630624474499 0.642491186863 0.548364019942} H22 52 1 1 {} {0.670481117017 0.613659309778 0.442868453006} H23 53 1 1 {} {0.605523210787 0.625494486707 0.302583726167} H24 54 1 1 {} {0.540495118187 0.572337467372 0.554246248749} H25 55 1 1 {} {0.542882480458 0.54953647651 0.452945545433} H26 56 1 1 {} {0.537243678738 0.633043917717 0.486400458741} H27 57 1 1 {} {0.588187750162 0.824354780839 0.441126961433} H28 58 1 1 {} {0.589220283784 0.781667074299 0.54445650379} H29 59 1 1 {} {0.557787200527 0.749386930114 0.455289693448} H30 60 1 1 {} {0.637404588953 0.753423474981 0.284204911438} H31 61 1 1 {} {0.681962974295 0.805566330285 0.485094718624} H32 62 1 1 {} {0.638837856971 0.419620837691 0.322495989751} H33 63 1 1 {} {0.667431541981 0.399179711658 0.474493821624} H34 64 1 1 {} {0.522059346307 0.293782830341 0.384151460588} H35 65 1 1 {} {0.553614022358 0.366656221866 0.271086371639} H36 66 1 1 {} {0.520677600436 0.416529110336 0.55011948142} H37 67 1 1 {} {0.54061783613 0.3006250092 0.554914630099} H38 68 1 1 {} {0.598953105452 0.436091979801 0.649282190576} H39 69 1 1 {} {0.619020502626 0.358016405586 0.643178356055} H40 70 1 1 {} {0.62076151581 0.271753683249 0.268241256632} H41 71 1 1 {} {0.605343006086 0.222905489698 0.353099329648} 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