#MD System 2.0 @Title neb0_image06 @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 {} {0.217399755145 0.526305451964 0.329482259377} C1 1 1 14 {} {0.270461247441 0.488747308759 0.287555212344} Si1 2 1 14 {} {0.17076721064 0.535028458729 0.249166820518} Si2 3 1 8 {} {0.283659985208 0.519753933386 0.188940711349} O1 4 1 8 {} {0.308156295011 0.512344219394 0.360947426838} O2 5 1 6 {} {0.269783917022 0.395772258232 0.28238879735} C2 6 1 6 {} {0.139426599708 0.4551152843 0.23098853688} C3 7 1 8 {} {0.195248793579 0.562159699484 0.155417111112} O3 8 1 8 {} {0.135001726104 0.595138360429 0.277719565815} O4 9 1 14 {} {0.360222118804 0.537974825172 0.363305589639} Si3 10 1 7 {} {0.393302460599 0.472002045945 0.400985042976} N1 11 1 14 {} {0.445035073927 0.470105817162 0.348982513292} Si4 12 1 14 {} {0.376130261148 0.420252483979 0.489021996528} Si5 13 1 7 {} {0.348075646762 0.459558362144 0.573912815715} N2 14 1 7 {} {0.457373246348 0.554369548179 0.334933190683} N3 15 1 1 {} {0.206158319611 0.498020203764 0.388435852266} H1 16 1 1 {} {0.22586713524 0.577070410371 0.353120828613} H2 17 1 1 {} {0.258871129167 0.542290778983 0.158956534882} H3 18 1 1 {} {0.264500180434 0.372748733662 0.348039628433} H4 19 1 1 {} {0.301460725853 0.376711466122 0.255663015121} H5 20 1 1 {} {0.243136681711 0.378811702773 0.237515180639} H6 21 1 1 {} {0.112863807672 0.461512345311 0.180987268254} H7 22 1 1 {} {0.123872807538 0.437945523401 0.293554352394} H8 23 1 1 {} {0.161620439641 0.41484746416 0.207705706008} H9 24 1 1 {} {0.176635088105 0.584398385639 0.111888944714} H10 25 1 1 {} {0.1070248362 0.581723133637 0.303717712087} H11 26 1 1 {} {0.375868858948 0.558646786759 0.272865698405} H12 27 1 1 {} {0.362696173386 0.596314765347 0.425538947595} H13 28 1 1 {} {0.477337941234 0.434285916526 0.407136679681} H14 29 1 1 {} {0.447735409682 0.439846970287 0.259639057069} H15 30 1 1 {} {0.34490986521 0.369455148241 0.45251890408} H16 31 1 1 {} {0.416561694757 0.388103451681 0.527049068713} H17 32 1 1 {} {0.316279756157 0.475435325085 0.563607454177} H18 33 1 1 {} {0.364118079351 0.489515018403 0.618056132875} H19 34 1 1 {} {0.487537794492 0.569669420777 0.314726506499} H20 35 1 1 {} {0.447429859885 0.584852006499 0.384655681235} H21 36 1 6 {} {0.650596465027 0.642940453994 0.482982879765} C4 37 1 14 {} {0.610489143316 0.576766681368 0.443091383878} Si6 38 1 14 {} {0.64239448961 0.72815927571 0.43630084032} Si7 39 1 8 {} {0.596478644801 0.586207171698 0.336797419253} O5 40 1 8 {} {0.629476639016 0.500558711421 0.458912294385} O6 41 1 6 {} {0.558225271169 0.58156357338 0.509609457193} C5 42 1 6 {} {0.593372045815 0.775487878592 0.481264584704} C6 43 1 8 {} {0.637904883061 0.715289455955 0.326765753939} O7 44 1 8 {} {0.688064292784 0.773413703401 0.450432401246} O8 45 1 14 {} {0.634906864451 0.421792068714 0.431966047311} Si8 46 1 7 {} {0.587978085319 0.371696253149 0.447973345427} N4 47 1 14 {} {0.568912104635 0.322379837346 0.362034530416} Si9 48 1 14 {} {0.563664158718 0.36768955155 0.556718048946} Si10 49 1 7 {} {0.599246172382 0.386034918363 0.643102222838} N5 50 1 7 {} {0.602855003043 0.259219605885 0.322675370708} N6 51 1 1 {} {0.644982931186 0.643710302073 0.55567916194} H22 52 1 1 {} {0.685569085772 0.628637858863 0.473796433007} H23 53 1 1 {} {0.61004552216 0.624743628982 0.306797423671} H24 54 1 1 {} {0.562820981878 0.584140320922 0.58124979485} H25 55 1 1 {} {0.54176645875 0.533950896578 0.495373127048} H26 56 1 1 {} {0.536401614654 0.621794078582 0.488300941966} H27 57 1 1 {} {0.592231384034 0.8259317919 0.451912729946} H28 58 1 1 {} {0.595055379418 0.781826508702 0.554072573424} H29 59 1 1 {} {0.561168448243 0.751792473422 0.466374624526} H30 60 1 1 {} {0.643820430221 0.752769964652 0.287426410572} H31 61 1 1 {} {0.688352953371 0.805705011313 0.499042050581} H32 62 1 1 {} {0.644936988419 0.416732756554 0.33376792779} H33 63 1 1 {} {0.673508934338 0.399503464185 0.485364480487} H34 64 1 1 {} {0.526712557024 0.289819846096 0.393796179923} H35 65 1 1 {} {0.560100722682 0.364996424476 0.280902891893} H36 66 1 1 {} {0.5263771904 0.415983636215 0.564537081825} H37 67 1 1 {} {0.546417004995 0.29747087465 0.567140548101} H38 68 1 1 {} {0.604758947696 0.434135392053 0.658359327809} H39 69 1 1 {} {0.626065218993 0.357568467455 0.656263821166} H40 70 1 1 {} {0.62743297108 0.269927789988 0.277562644103} H41 71 1 1 {} {0.612057008794 0.220129385375 0.362334288766} 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