#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 {} {0.216751907981 0.526624313327 0.328253670761} C1 1 1 14 {} {0.270483256414 0.489416372667 0.286683709926} Si1 2 1 14 {} {0.170104843991 0.5348582673 0.247483221766} Si2 3 1 8 {} {0.282950513698 0.520861988191 0.187864399032} O1 4 1 8 {} {0.310080958551 0.511197977343 0.357633429429} O2 5 1 6 {} {0.268858956452 0.396219443662 0.280469284783} C2 6 1 6 {} {0.138509176717 0.455242841646 0.229726318079} C3 7 1 8 {} {0.19465689627 0.561854891282 0.153957758637} O3 8 1 8 {} {0.134646122224 0.59518549177 0.275701356669} O4 9 1 14 {} {0.361649873335 0.539371008379 0.362597272893} Si3 10 1 7 {} {0.394681546621 0.474358399027 0.403777826175} N1 11 1 14 {} {0.446088650401 0.471279100666 0.351937298002} Si4 12 1 14 {} {0.375963664978 0.421070447697 0.488728989598} Si5 13 1 7 {} {0.346920598855 0.459185616205 0.574030048253} N2 14 1 7 {} {0.455657006135 0.559392082504 0.340028881199} N3 15 1 1 {} {0.205236592843 0.498064552788 0.386805616702} H1 16 1 1 {} {0.224866988765 0.577447461785 0.352131722299} H2 17 1 1 {} {0.257876112781 0.54280738689 0.157766623029} H3 18 1 1 {} {0.263575018135 0.372906975963 0.345981456397} H4 19 1 1 {} {0.30049208293 0.376908748068 0.253744107672} H5 20 1 1 {} {0.242032076649 0.379477538146 0.235695994963} H6 21 1 1 {} {0.111956896408 0.461794226453 0.179812379057} H7 22 1 1 {} {0.12291325781 0.437929084823 0.292119345529} H8 23 1 1 {} {0.160704392147 0.415124380262 0.20633183905} H9 24 1 1 {} {0.175847612305 0.584216611265 0.110484331055} H10 25 1 1 {} {0.106168152123 0.58278188988 0.30157480806} H11 26 1 1 {} {0.378033804039 0.558853276438 0.273249234911} H12 27 1 1 {} {0.361264335186 0.597663328781 0.424516025836} H13 28 1 1 {} {0.475305467257 0.427852241196 0.411704601659} H14 29 1 1 {} {0.451457125196 0.447876899542 0.259176204343} H15 30 1 1 {} {0.344697138267 0.371586051114 0.448039250107} H16 31 1 1 {} {0.416101919314 0.387455881245 0.52645449663} H17 32 1 1 {} {0.315561664765 0.476087695916 0.561978428754} H18 33 1 1 {} {0.36292007106 0.490303770684 0.61706516231} H19 34 1 1 {} {0.491089965574 0.564491999499 0.31804907868} H20 35 1 1 {} {0.455230483813 0.580208284454 0.402976112918} H21 36 1 6 {} {0.647905360699 0.641004637973 0.48384506001} C4 37 1 14 {} {0.609327551596 0.577439394779 0.441833878432} Si6 38 1 14 {} {0.641792053622 0.726643628434 0.438272328233} Si7 39 1 8 {} {0.598782756517 0.585193699128 0.332724783453} O5 40 1 8 {} {0.62613194947 0.500620583739 0.459962439774} O6 41 1 6 {} {0.557466260899 0.584560797812 0.505646009226} C5 42 1 6 {} {0.593519236887 0.776265745712 0.483361685877} C6 43 1 8 {} {0.637959530135 0.714651755171 0.327923721219} O7 44 1 8 {} {0.688756911671 0.769118675621 0.454203053561} O8 45 1 14 {} {0.634732064031 0.422260942512 0.433138714175} Si8 46 1 7 {} {0.588854424717 0.370368612375 0.449863538378} N4 47 1 14 {} {0.569550287234 0.321457702063 0.362652318512} Si9 48 1 14 {} {0.56423907501 0.367351767032 0.558312893262} Si10 49 1 7 {} {0.599758516344 0.385995394898 0.642604906982} N5 50 1 7 {} {0.604056501328 0.258206666538 0.323652647713} N6 51 1 1 {} {0.640513640496 0.640958854236 0.556061985975} H22 52 1 1 {} {0.682156997286 0.623758326576 0.472557498535} H23 53 1 1 {} {0.612729753398 0.624844796185 0.305484654491} H24 54 1 1 {} {0.555727038179 0.57875538504 0.578584069676} H25 55 1 1 {} {0.545232524601 0.535919745342 0.476408170284} H26 56 1 1 {} {0.536803553849 0.62740033684 0.482068984888} H27 57 1 1 {} {0.592681044919 0.826806078132 0.453997355681} H28 58 1 1 {} {0.595619229781 0.782001417574 0.556375558853} H29 59 1 1 {} {0.561217619592 0.752577391029 0.46864296669} H30 60 1 1 {} {0.6448583338 0.752427074787 0.289786079052} H31 61 1 1 {} {0.688970143252 0.803232570305 0.499716154131} H32 62 1 1 {} {0.64569367845 0.417762462266 0.335335773057} H33 63 1 1 {} {0.673869235375 0.402374170918 0.487532719011} H34 64 1 1 {} {0.527712306798 0.289602620925 0.395197974239} H35 65 1 1 {} {0.561242666773 0.364447274268 0.282913105278} H36 66 1 1 {} {0.526940982094 0.41657374304 0.566049758486} H37 67 1 1 {} {0.54701949829 0.297344224302 0.569139707866} H38 68 1 1 {} {0.60565445301 0.434419625887 0.659354771401} H39 69 1 1 {} {0.626637768818 0.356957346996 0.657689347414} H40 70 1 1 {} {0.628699705573 0.269707515266 0.279767003017} H41 71 1 1 {} {0.613530125271 0.220335522931 0.364616026556} 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