#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 {} {0.225792145321 0.524638904386 0.346868221425} C1 1 1 14 {} {0.278346474262 0.487115405527 0.305389873974} Si1 2 1 14 {} {0.18086270942 0.533489113963 0.26678831112} Si2 3 1 8 {} {0.293912889898 0.516220629994 0.206609483051} O1 4 1 8 {} {0.308716742312 0.517101132157 0.390903741603} O2 5 1 6 {} {0.280893652237 0.393358864836 0.300707769007} C2 6 1 6 {} {0.150849549859 0.453012546476 0.24912981695} C3 7 1 8 {} {0.206448746927 0.561384826009 0.174608892802} O3 8 1 8 {} {0.145586724338 0.59373717279 0.296459720913} O4 9 1 14 {} {0.362931392242 0.527574664119 0.380603268821} Si3 10 1 7 {} {0.391172723683 0.454403878895 0.400212938678} N1 11 1 14 {} {0.436717861444 0.459737946735 0.321532060141} Si4 12 1 14 {} {0.383954548382 0.414788603833 0.501318462445} Si5 13 1 7 {} {0.359278176837 0.454773010967 0.590502277427} N2 14 1 7 {} {0.426788195527 0.541986737892 0.257468756777} N3 15 1 1 {} {0.217091175629 0.495728525419 0.406815497099} H1 16 1 1 {} {0.23755637788 0.573949606206 0.370541014354} H2 17 1 1 {} {0.27010729762 0.540921688459 0.176021317487} H3 18 1 1 {} {0.27566598656 0.370655921658 0.366779534943} H4 19 1 1 {} {0.312937454128 0.375065531455 0.274125460124} H5 20 1 1 {} {0.254353719008 0.376021559556 0.255240558934} H6 21 1 1 {} {0.124395644854 0.459310617437 0.199440817945} H7 22 1 1 {} {0.135421179255 0.43636283525 0.311917683652} H8 23 1 1 {} {0.173005243647 0.412643180115 0.22637451053} H9 24 1 1 {} {0.187724151268 0.582694557884 0.130710512202} H10 25 1 1 {} {0.118106762715 0.579003920301 0.323183208796} H11 26 1 1 {} {0.36981717637 0.552157000496 0.275342589264} H12 27 1 1 {} {0.375644056483 0.588317310659 0.440582273294} H13 28 1 1 {} {0.482033295388 0.467992629842 0.381315345463} H14 29 1 1 {} {0.441631806708 0.391639612884 0.254402661366} H15 30 1 1 {} {0.352534752898 0.357846388925 0.485356356576} H16 31 1 1 {} {0.424669943696 0.387201196449 0.542517295693} H17 32 1 1 {} {0.328303053354 0.474488112436 0.587538268472} H18 33 1 1 {} {0.373672672438 0.485696866567 0.634687407961} H19 34 1 1 {} {0.446619524692 0.582303995963 0.296369652299} H20 35 1 1 {} {0.368604702385 0.619592453574 0.287965739098} H21 36 1 6 {} {0.663870822513 0.644409494082 0.465388688491} C4 37 1 14 {} {0.617763184821 0.578516742365 0.441241016769} Si6 38 1 14 {} {0.641061630432 0.729806645319 0.418341951516} Si7 39 1 8 {} {0.57951697513 0.597840983082 0.359670918287} O5 40 1 8 {} {0.637391270654 0.503477801999 0.442660744465} O6 41 1 6 {} {0.580531074373 0.574648891243 0.551544703825} C5 42 1 6 {} {0.585410673971 0.773663718198 0.462481935404} C6 43 1 8 {} {0.628733187477 0.722137098201 0.308741226817} O7 44 1 8 {} {0.679439410774 0.796536297959 0.422245343422} O8 45 1 14 {} {0.627873518931 0.424586230117 0.413492963296} Si8 46 1 7 {} {0.578850404056 0.377639889645 0.4331334852} N4 47 1 14 {} {0.557765171584 0.32545068252 0.344263359316} Si9 48 1 14 {} {0.55515790144 0.36747403467 0.541163184111} Si10 49 1 7 {} {0.592377232009 0.384242193535 0.625586795169} N5 50 1 7 {} {0.591414269606 0.260922385889 0.303831070572} N6 51 1 1 {} {0.658526724169 0.655327944871 0.536746062174} H22 52 1 1 {} {0.702553169508 0.660267614542 0.475888154427} H23 53 1 1 {} {0.588770214027 0.620523424707 0.308216812876} H24 54 1 1 {} {0.596405733356 0.619856359541 0.600880225978} H25 55 1 1 {} {0.578118630303 0.527925046839 0.596054591408} H26 56 1 1 {} {0.544768707892 0.577852355375 0.521344159178} H27 57 1 1 {} {0.582078115236 0.825197717552 0.433026293947} H28 58 1 1 {} {0.584439662085 0.782791203747 0.535582998747} H29 59 1 1 {} {0.552221105031 0.751206713457 0.446570712292} H30 60 1 1 {} {0.631318506007 0.756166589121 0.262547090766} H31 61 1 1 {} {0.679829385039 0.817367944778 0.482228559885} H32 62 1 1 {} {0.63372170791 0.414582039293 0.315137791497} H33 63 1 1 {} {0.664700367444 0.39367935418 0.466244103244} H34 64 1 1 {} {0.515607078458 0.290496535497 0.375961962742} H35 65 1 1 {} {0.548735027621 0.366701974058 0.264249821788} H36 66 1 1 {} {0.519151671207 0.418597329371 0.5624607935} H37 67 1 1 {} {0.536010211654 0.298452241984 0.549545005542} H38 68 1 1 {} {0.594685028542 0.433900857861 0.643325167886} H39 69 1 1 {} {0.61990242301 0.359309310198 0.642629129378} H40 70 1 1 {} {0.616069226958 0.271635706925 0.258896870531} H41 71 1 1 {} {0.600759961536 0.221194902532 0.342152950952} 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