#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 {} {0.223847587133 0.525275704425 0.340204973116} C1 1 1 14 {} {0.277802829882 0.488336749393 0.298457660008} Si1 2 1 14 {} {0.177191981836 0.533744657145 0.259259615786} Si2 3 1 8 {} {0.290358380508 0.521281097382 0.200542544948} O1 4 1 8 {} {0.317499999475 0.508802525705 0.369508742046} O2 5 1 6 {} {0.275842809285 0.395109883765 0.29143273061} C2 6 1 6 {} {0.145626391806 0.454032092041 0.241476340815} C3 7 1 8 {} {0.201673032394 0.55976441909 0.165036000105} O3 8 1 8 {} {0.141798585669 0.594815107815 0.286219672326} O4 9 1 14 {} {0.368977843119 0.537740492552 0.374062476693} Si3 10 1 7 {} {0.402623425296 0.47370144449 0.416399561525} N1 11 1 14 {} {0.45600186473 0.472034888638 0.370591718372} Si4 12 1 14 {} {0.38322361026 0.419734188454 0.499667507829} Si5 13 1 7 {} {0.354395327901 0.458263937018 0.584640733168} N2 14 1 7 {} {0.470540372038 0.554900678471 0.365630065621} N3 15 1 1 {} {0.212259762726 0.496656008775 0.39869560351} H1 16 1 1 {} {0.231719983174 0.576101182673 0.36438767097} H2 17 1 1 {} {0.264857947466 0.541484247871 0.169844370532} H3 18 1 1 {} {0.270678447128 0.372091063435 0.35725896237} H4 19 1 1 {} {0.307555525119 0.376042721832 0.264673301058} H5 20 1 1 {} {0.249066350547 0.3780120105 0.246735764056} H6 21 1 1 {} {0.119106827433 0.460241177993 0.19143565128} H7 22 1 1 {} {0.1300956628 0.436317715986 0.303686300977} H8 23 1 1 {} {0.168027488326 0.41421345507 0.217890175121} H9 24 1 1 {} {0.183143525795 0.582721850096 0.121752417873} H10 25 1 1 {} {0.113425352466 0.582444576843 0.31232726068} H11 26 1 1 {} {0.385301339241 0.557295269411 0.284363755515} H12 27 1 1 {} {0.368207743176 0.596276911719 0.435604472555} H13 28 1 1 {} {0.482133880761 0.422756193793 0.42599171496} H14 29 1 1 {} {0.460159565541 0.45224039619 0.274453338134} H15 30 1 1 {} {0.352008961302 0.370841882465 0.458943169555} H16 31 1 1 {} {0.423117602923 0.386076885994 0.538128419505} H17 32 1 1 {} {0.322804617757 0.474620639127 0.573407672555} H18 33 1 1 {} {0.370485034418 0.488605808889 0.628483376726} H19 34 1 1 {} {0.499069973223 0.566104162399 0.333247377233} H20 35 1 1 {} {0.472824892564 0.576662392696 0.427149865011} H21 36 1 6 {} {0.638615095704 0.641833134563 0.472439847755} C4 37 1 14 {} {0.600145291422 0.578147509851 0.426846751521} Si6 38 1 14 {} {0.634211802794 0.727651881638 0.427293149816} Si7 39 1 8 {} {0.593773129122 0.585371449771 0.317374782684} O5 40 1 8 {} {0.617096016102 0.501655264239 0.448464982869} O6 41 1 6 {} {0.545807087605 0.585429589583 0.484632328134} C5 42 1 6 {} {0.586424150505 0.777548766275 0.472264976136} C6 43 1 8 {} {0.629748547529 0.716313045268 0.317007330979} O7 44 1 8 {} {0.68166656427 0.76893817039 0.44309319014} O8 45 1 14 {} {0.627281430508 0.423629889764 0.420806298023} Si8 46 1 7 {} {0.581824059542 0.371914347576 0.439165065696} N4 47 1 14 {} {0.562309764834 0.322602179455 0.350518772772} Si9 48 1 14 {} {0.55727597371 0.368423869104 0.54576758714} Si10 49 1 7 {} {0.592656812782 0.387286354526 0.632332166556} N5 50 1 7 {} {0.597287183759 0.259934437835 0.313106474354} N6 51 1 1 {} {0.632329755368 0.64189393952 0.544828595719} H22 52 1 1 {} {0.672288385153 0.622650797073 0.460220788289} H23 53 1 1 {} {0.606373209905 0.626961971687 0.293347161155} H24 54 1 1 {} {0.54321857079 0.575443949146 0.55613940653} H25 55 1 1 {} {0.531051639852 0.541758127828 0.453243899857} H26 56 1 1 {} {0.527628578627 0.630990117688 0.465567013483} H27 57 1 1 {} {0.585668807891 0.828000376605 0.442871018959} H28 58 1 1 {} {0.588448652913 0.783174666566 0.545199605904} H29 59 1 1 {} {0.554311449583 0.753541072725 0.457120936362} H30 60 1 1 {} {0.637660417406 0.753772882349 0.27909626986} H31 61 1 1 {} {0.681936879596 0.803772353029 0.487898447499} H32 62 1 1 {} {0.638681488505 0.419038876337 0.324114475337} H33 63 1 1 {} {0.666401961443 0.403733748677 0.475776599921} H34 64 1 1 {} {0.520549030452 0.290661225686 0.38338941649} H35 65 1 1 {} {0.554102846309 0.365548069344 0.271152123664} H36 66 1 1 {} {0.52031437788 0.417980958592 0.553179263269} H37 67 1 1 {} {0.539929980157 0.299092119811 0.557302771567} H38 68 1 1 {} {0.598918184631 0.435868353558 0.647547793813} H39 69 1 1 {} {0.619561328985 0.358213431399 0.645883451214} H40 70 1 1 {} {0.621912204856 0.271063233571 0.268873132431} H41 71 1 1 {} {0.606812667042 0.222118397046 0.354351257364} 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