#MD System 2.0 @Title neb0_image08 @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 {} {0.221403413576 0.52572080737 0.336247391363} C1 1 1 14 {} {0.275277631221 0.488711446835 0.294384667349} Si1 2 1 14 {} {0.174777412956 0.534212023703 0.255289134363} Si2 3 1 8 {} {0.287870360533 0.521550365762 0.19643674918} O1 4 1 8 {} {0.314843028922 0.509459442033 0.365570462627} O2 5 1 6 {} {0.273374196866 0.395501803672 0.28750019498} C2 6 1 6 {} {0.143184917032 0.454517194452 0.237494608287} C3 7 1 8 {} {0.199239738763 0.560320650452 0.161078185827} O3 8 1 8 {} {0.139356436978 0.595205215817 0.282376800499} O4 9 1 14 {} {0.366315748182 0.538161740682 0.369990845084} Si3 10 1 7 {} {0.400178711473 0.473867164485 0.411335040784} N1 11 1 14 {} {0.453588432838 0.472935720999 0.365445895172} Si4 12 1 14 {} {0.380664687482 0.419963802249 0.495647300534} Si5 13 1 7 {} {0.351784728075 0.458567257313 0.581181519773} N2 14 1 7 {} {0.468561747615 0.556073555448 0.362041122605} N3 15 1 1 {} {0.209793300522 0.49712630543 0.39472040859} H1 16 1 1 {} {0.229299768929 0.57654240878 0.36034506316} H2 17 1 1 {} {0.262405160066 0.541937927606 0.165785839808} H3 18 1 1 {} {0.26818516851 0.372455601754 0.353313500189} H4 19 1 1 {} {0.30508572115 0.376430180999 0.2607114527} H5 20 1 1 {} {0.246590025213 0.378485071969 0.242744449564} H6 21 1 1 {} {0.116654402468 0.460748929547 0.187463979181} H7 22 1 1 {} {0.127624485962 0.436837388061 0.299697466428} H8 23 1 1 {} {0.165532017612 0.414619256957 0.213920205481} H9 24 1 1 {} {0.180645626716 0.583182833407 0.117785494486} H10 25 1 1 {} {0.110964495392 0.582773658107 0.308385944452} H11 26 1 1 {} {0.38278932901 0.557745025612 0.28016582833} H12 27 1 1 {} {0.365779501131 0.596842836045 0.431751759733} H13 28 1 1 {} {0.479772209905 0.424111958193 0.421317617751} H14 29 1 1 {} {0.457112810985 0.450914341714 0.269079681897} H15 30 1 1 {} {0.349391702641 0.370994576657 0.455028228434} H16 31 1 1 {} {0.420693958663 0.386579898601 0.534146030017} H17 32 1 1 {} {0.320261851732 0.475221077983 0.569450851414} H18 33 1 1 {} {0.367954079841 0.489229629012 0.624694894668} H19 34 1 1 {} {0.496825050808 0.565923112505 0.326663620917} H20 35 1 1 {} {0.4693368562 0.577716383542 0.423644079296} H21 36 1 6 {} {0.641943312936 0.641658310643 0.476537542324} C4 37 1 14 {} {0.602558134148 0.577816026506 0.432343581036} Si6 38 1 14 {} {0.63688962426 0.727525067538 0.431181071237} Si7 39 1 8 {} {0.59597023903 0.585172519339 0.322592587959} O5 40 1 8 {} {0.620139603034 0.501319323437 0.452523374593} O6 41 1 6 {} {0.547754894348 0.583467574608 0.488757520922} C5 42 1 6 {} {0.588908433817 0.777085142357 0.476193097059} C6 43 1 8 {} {0.632347945473 0.715855879647 0.320955605885} O7 44 1 8 {} {0.684284782655 0.768869373885 0.44689347068} O8 45 1 14 {} {0.629835599205 0.422988796777 0.424742343222} Si8 46 1 7 {} {0.584286304891 0.371485678191 0.443420805387} N4 47 1 14 {} {0.564636886225 0.322122981992 0.354417228776} Si9 48 1 14 {} {0.559624814943 0.367933202256 0.54969485705} Si10 49 1 7 {} {0.595110040511 0.386793053044 0.636186965409} N5 50 1 7 {} {0.599631122793 0.259318875643 0.316876164519} N6 51 1 1 {} {0.63509954211 0.641516075951 0.548847952652} H22 52 1 1 {} {0.675942305161 0.622826503111 0.464550676706} H23 53 1 1 {} {0.608592204101 0.626396340312 0.297425633156} H24 54 1 1 {} {0.547244415794 0.576652835769 0.561974853449} H25 55 1 1 {} {0.531531974646 0.54019811185 0.456855317373} H26 56 1 1 {} {0.53011610319 0.630500648946 0.47054331255} H27 57 1 1 {} {0.588145167959 0.827513752718 0.446818892043} H28 58 1 1 {} {0.590928335016 0.782746376465 0.549118772565} H29 59 1 1 {} {0.556779685712 0.753102420543 0.461057833916} H30 60 1 1 {} {0.640098605095 0.753302110573 0.282925021801} H31 61 1 1 {} {0.68444097592 0.803498214332 0.491897170304} H32 62 1 1 {} {0.641149029247 0.418545203637 0.32808495978} H33 63 1 1 {} {0.668981289502 0.403162014351 0.479922900038} H34 64 1 1 {} {0.522981351427 0.290194716764 0.387505081441} H35 65 1 1 {} {0.556545728024 0.365133845736 0.275115008828} H36 66 1 1 {} {0.522720863233 0.417521276396 0.557299712399} H37 67 1 1 {} {0.542389834982 0.298588484907 0.561290655156} H38 68 1 1 {} {0.601311391628 0.435495899571 0.651568123627} H39 69 1 1 {} {0.622085153738 0.357652308165 0.649886991085} H40 70 1 1 {} {0.624307979146 0.270567013167 0.272866469563} H41 71 1 1 {} {0.609245467339 0.221590393761 0.358100259315} 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