#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 {} {0.225623249441 0.52487978121 0.343982041658} C1 1 1 14 {} {0.278434384839 0.487466607554 0.301773461692} Si1 2 1 14 {} {0.17958943985 0.533470067469 0.263561658456} Si2 3 1 8 {} {0.292666126211 0.519023106874 0.203726230123} O1 4 1 8 {} {0.31435705866 0.512816150679 0.378592650384} O2 5 1 6 {} {0.278689327026 0.39411816668 0.296492581189} C2 6 1 6 {} {0.148590444958 0.453531989184 0.245861693926} C3 7 1 8 {} {0.204487027229 0.56052333859 0.170339366447} O3 8 1 8 {} {0.144337577823 0.593920853384 0.291729438637} O4 9 1 14 {} {0.367457748139 0.533249030998 0.379155207252} Si3 10 1 7 {} {0.398256394079 0.465007716541 0.408795558773} N1 11 1 14 {} {0.444078862502 0.460610781705 0.340119642447} Si4 12 1 14 {} {0.384071969359 0.418920215776 0.501542603316} Si5 13 1 7 {} {0.356527967714 0.455991169895 0.590971832378} N2 14 1 7 {} {0.443612426355 0.554238860576 0.311775450856} N3 15 1 1 {} {0.21510201717 0.496190541924 0.403077917228} H1 16 1 1 {} {0.234911949611 0.575316716572 0.368193619321} H2 17 1 1 {} {0.267663330495 0.541093590333 0.173530585076} H3 18 1 1 {} {0.273447003818 0.371299372515 0.362259191159} H4 19 1 1 {} {0.310469823161 0.37536354863 0.269791803181} H5 20 1 1 {} {0.252020159037 0.377433863882 0.251591011135} H6 21 1 1 {} {0.122039183083 0.459859076269 0.195959698383} H7 22 1 1 {} {0.13298302604 0.436264059294 0.3081968875} H8 23 1 1 {} {0.170740769493 0.413317862427 0.222538568852} H9 24 1 1 {} {0.185606137799 0.582662725079 0.126566734975} H10 25 1 1 {} {0.116079875422 0.580658921324 0.318058898054} H11 26 1 1 {} {0.381125796451 0.555132079464 0.281518853459} H12 27 1 1 {} {0.372095338095 0.594414033017 0.439397735813} H13 28 1 1 {} {0.483037250024 0.445134623933 0.408364331041} H14 29 1 1 {} {0.452979361921 0.420440344881 0.261242675982} H15 30 1 1 {} {0.351917408028 0.363237472887 0.470233398071} H16 31 1 1 {} {0.424990023548 0.38541439465 0.542243369756} H17 32 1 1 {} {0.325558120098 0.474784602103 0.580594046367} H18 33 1 1 {} {0.372277228844 0.488018651686 0.633198929666} H19 34 1 1 {} {0.477165286121 0.570046675967 0.307165775225} H20 35 1 1 {} {0.412629021577 0.598762797514 0.366072791779} H21 36 1 6 {} {0.653049449021 0.643224177823 0.469235654191} C4 37 1 14 {} {0.610933601101 0.580983336445 0.434269867207} Si6 38 1 14 {} {0.636576836797 0.729117422762 0.421556136135} Si7 39 1 8 {} {0.586887408041 0.59109622594 0.34181243215} O5 40 1 8 {} {0.625540939561 0.502965360653 0.444482745225} O6 41 1 6 {} {0.561097878067 0.581330662109 0.522264786958} C5 42 1 6 {} {0.584735501885 0.776300400648 0.467134740253} C6 43 1 8 {} {0.628260907993 0.71855742424 0.312259640842} O7 44 1 8 {} {0.681456842077 0.781313986274 0.43236310849} O8 45 1 14 {} {0.626477140291 0.425497172673 0.4175798168} Si8 46 1 7 {} {0.579436096153 0.373093121042 0.434500855206} N4 47 1 14 {} {0.559917230895 0.323405299526 0.347028952716} Si9 48 1 14 {} {0.555918228323 0.367853627564 0.544135460824} Si10 49 1 7 {} {0.592315877876 0.386671877599 0.628561193652} N5 50 1 7 {} {0.594164704951 0.260332884409 0.307769411747} N6 51 1 1 {} {0.641206577617 0.646358960118 0.538135515906} H22 52 1 1 {} {0.690502603867 0.64011721351 0.4662019775} H23 53 1 1 {} {0.597395492367 0.623696821923 0.296283610314} H24 54 1 1 {} {0.570869423234 0.601904983735 0.592051614679} H25 55 1 1 {} {0.558258705886 0.525702900111 0.512652182365} H26 56 1 1 {} {0.535959335459 0.608602991406 0.488763899886} H27 57 1 1 {} {0.583230036617 0.82752600938 0.437550018131} H28 58 1 1 {} {0.586051228227 0.783331413981 0.540299866502} H29 59 1 1 {} {0.55197559494 0.753195772979 0.451693605092} H30 60 1 1 {} {0.634315093627 0.754846325278 0.270292707165} H31 61 1 1 {} {0.680220348309 0.810143512935 0.485717286694} H32 62 1 1 {} {0.6360334663 0.417256834047 0.317874345268} H33 63 1 1 {} {0.665458688979 0.400176954718 0.471575963534} H34 64 1 1 {} {0.517617385393 0.290416337832 0.379194782811} H35 65 1 1 {} {0.551176718039 0.366308826886 0.267106693141} H36 66 1 1 {} {0.519637751494 0.418480179194 0.558469628149} H37 67 1 1 {} {0.537445614047 0.298602060852 0.552993762438} H38 68 1 1 {} {0.596325584645 0.434533036614 0.644239133911} H39 69 1 1 {} {0.619159225259 0.358762762839 0.644053494318} H40 70 1 1 {} {0.618802571241 0.271276242314 0.263552266521} H41 71 1 1 {} {0.603649676062 0.221706190023 0.347934642661} 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