#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 {} {0.358470804709 0.53581938656 0.422960678921} C1 1 1 14 {} {0.339434319564 0.502816835126 0.53401668582} Si1 2 1 14 {} {0.41371248357 0.577936357912 0.418775583979} Si2 3 1 8 {} {0.342673516825 0.563089029619 0.609282476054} O1 4 1 8 {} {0.286513288665 0.48082820644 0.52608140802} O2 5 1 6 {} {0.371068231188 0.426851429586 0.569411043186} C2 6 1 6 {} {0.462783374803 0.520336318728 0.412499864894} C3 7 1 8 {} {0.415310016713 0.622358313539 0.513871660034} O3 8 1 8 {} {0.414032988217 0.628824812471 0.330988924452} O4 9 1 14 {} {0.234184064123 0.486442740272 0.556689493603} Si3 10 1 7 {} {0.214533504713 0.407721533236 0.588122600725} N1 11 1 14 {} {0.178497210265 0.403366070829 0.679967218523} Si4 12 1 14 {} {0.230138612246 0.337709797626 0.524187709872} Si5 13 1 7 {} {0.231356834741 0.350075962454 0.41057048302} N2 14 1 7 {} {0.130990783547 0.451701346984 0.672785716131} N3 15 1 1 {} {0.358022613073 0.495386755882 0.372927101169} H1 16 1 1 {} {0.333538496076 0.572991987822 0.400961879508} H2 17 1 1 {} {0.366460663076 0.595221670993 0.596226074679} H3 18 1 1 {} {0.367747626152 0.3858534115 0.520912939404} H4 19 1 1 {} {0.358393731687 0.408794615226 0.63391493101} H5 20 1 1 {} {0.406780432079 0.437828727229 0.577704457958} H6 21 1 1 {} {0.494563712092 0.547985110571 0.411725105483} H7 22 1 1 {} {0.461357301528 0.489746273667 0.35152825009} H8 23 1 1 {} {0.46374786138 0.486174760991 0.469930795498} H9 24 1 1 {} {0.440567836909 0.651662865063 0.524158569119} H10 25 1 1 {} {0.442375121711 0.637634388336 0.302217918015} H11 26 1 1 {} {0.22839485963 0.532086476328 0.634704475268} H12 27 1 1 {} {0.208658533763 0.512985151921 0.478993251933} H13 28 1 1 {} {0.165605492662 0.33167078417 0.688100057157} H14 29 1 1 {} {0.201532898412 0.427705037892 0.761867867029} H15 30 1 1 {} {0.276063969267 0.31602111988 0.54909663568} H16 31 1 1 {} {0.197004138854 0.284291959914 0.544461420332} H17 32 1 1 {} {0.257789982903 0.374077654475 0.382631083013} H18 33 1 1 {} {0.20288162235 0.360741565079 0.376563746554} H19 34 1 1 {} {0.130792670776 0.49928735805 0.696567678461} H20 35 1 1 {} {0.108317158569 0.445766513694 0.623022150736} H21 36 1 6 {} {0.583490584364 0.346838925904 0.308904452699} C4 37 1 14 {} {0.578714298258 0.38040845183 0.425885706372} Si6 38 1 14 {} {0.567539669987 0.257752532542 0.290995098576} Si7 39 1 8 {} {0.607340387946 0.331335348108 0.493911952028} O5 40 1 8 {} {0.601362143782 0.455444229837 0.430911332776} O6 41 1 6 {} {0.51945808077 0.389107821964 0.462519211874} C5 42 1 6 {} {0.50663740813 0.247148328352 0.267355641266} C6 43 1 8 {} {0.582821462289 0.219121485921 0.385267348627} O7 44 1 8 {} {0.597257633538 0.220756562086 0.211106723643} O8 45 1 14 {} {0.645091363061 0.500292979178 0.459561881541} Si8 46 1 7 {} {0.629598153185 0.581373963611 0.486641579886} N4 47 1 14 {} {0.635843857241 0.608919850063 0.596938050925} Si9 48 1 14 {} {0.605711867632 0.635028030183 0.407152358805} Si10 49 1 7 {} {0.61670099295 0.615986149912 0.29757824591} N5 50 1 7 {} {0.68886913685 0.628735697767 0.633097748892} N6 51 1 1 {} {0.564075177344 0.378607461366 0.262962095184} H22 52 1 1 {} {0.618818012565 0.35198511418 0.28931488737} H23 53 1 1 {} {0.605789329814 0.284195252831 0.476428794011} H24 54 1 1 {} {0.500342881822 0.422083866467 0.417962919381} H25 55 1 1 {} {0.518243776355 0.410587989715 0.530036713197} H26 56 1 1 {} {0.502671416699 0.340199128121 0.464902001166} H27 57 1 1 {} {0.497300650252 0.194045450106 0.262698862776} H28 58 1 1 {} {0.497407120962 0.271331412212 0.203979195376} H29 59 1 1 {} {0.486214993307 0.270077705257 0.320082544943} H30 60 1 1 {} {0.585477845088 0.170774933561 0.383020507732} H31 61 1 1 {} {0.584048500976 0.216745193318 0.152386641427} H32 62 1 1 {} {0.667097758653 0.471478121592 0.540206978738} H33 63 1 1 {} {0.676824580215 0.499863796191 0.382918297325} H34 64 1 1 {} {0.608573122686 0.671180851623 0.60374563134} H35 65 1 1 {} {0.61971844498 0.556008424295 0.658973165615} H36 66 1 1 {} {0.555975863879 0.634113372787 0.415336061171} H37 67 1 1 {} {0.622640700062 0.703803768122 0.425860092004} H38 68 1 1 {} {0.600446936993 0.577238255118 0.268061131784} H39 69 1 1 {} {0.648383366215 0.619294459941 0.273766623716} H40 70 1 1 {} {0.710234629076 0.591580128372 0.651153933613} H41 71 1 1 {} {0.705813062989 0.667888957003 0.606033962668} 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