#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 {} {0.215408381919 0.52679957141 0.326555135371} C1 1 1 14 {} {0.269349522402 0.489834464078 0.284704454537} Si1 2 1 14 {} {0.168702237198 0.535324760005 0.24558545081} Si2 3 1 8 {} {0.281973410761 0.523048445006 0.186965159703} O1 4 1 8 {} {0.30929332356 0.510101774153 0.35572388942} O2 5 1 6 {} {0.26737403199 0.396636247562 0.277694651015} C2 6 1 6 {} {0.137175655131 0.455597062429 0.227804209494} C3 7 1 8 {} {0.193205821673 0.561117559153 0.151281397562} O3 8 1 8 {} {0.133356995699 0.596493088387 0.272413859044} O4 9 1 14 {} {0.360792684565 0.53901184367 0.360770822212} Si3 10 1 7 {} {0.395538785619 0.476104877925 0.402406229417} N1 11 1 14 {} {0.449987337522 0.47458035438 0.361573835371} Si4 12 1 14 {} {0.375153031308 0.421918319374 0.485205556224} Si5 13 1 7 {} {0.346039881526 0.459752215191 0.570611950016} N2 14 1 7 {} {0.471959322874 0.554314683738 0.36775988465} N3 15 1 1 {} {0.20378966368 0.49820696936 0.385062695551} H1 16 1 1 {} {0.223222017437 0.577638426365 0.35075768269} H2 17 1 1 {} {0.25639065886 0.543034532254 0.156224005994} H3 18 1 1 {} {0.262218313379 0.373702818446 0.343582872148} H4 19 1 1 {} {0.299099880128 0.377664562104 0.250896810051} H5 20 1 1 {} {0.240597931713 0.379540323118 0.232981707724} H6 21 1 1 {} {0.110653320366 0.461757968493 0.17775580906} H7 22 1 1 {} {0.121642786355 0.437831901459 0.289974898448} H8 23 1 1 {} {0.159583305419 0.415798473941 0.204177933798} H9 24 1 1 {} {0.174728275228 0.584229467552 0.108040312429} H10 25 1 1 {} {0.104979940502 0.584115268609 0.298522219553} H11 26 1 1 {} {0.377191252678 0.559000493117 0.270836189428} H12 27 1 1 {} {0.359661415647 0.597897964531 0.421861953609} H13 28 1 1 {} {0.473997344552 0.422150973494 0.414190001737} H14 29 1 1 {} {0.452087315806 0.45725480198 0.264754983605} H15 30 1 1 {} {0.343667619343 0.37274875028 0.444947146298} H16 31 1 1 {} {0.414620277131 0.387684063379 0.52452307421} H17 32 1 1 {} {0.314416803942 0.476211908689 0.559678489568} H18 33 1 1 {} {0.362064011715 0.490116464996 0.614644785221} H19 34 1 1 {} {0.494817712565 0.569228527602 0.321698083738} H20 35 1 1 {} {0.477775876647 0.576438152757 0.427722286856} H21 36 1 6 {} {0.644788428794 0.639004696549 0.486150813983} C4 37 1 14 {} {0.605296056511 0.575163514131 0.438215580303} Si6 38 1 14 {} {0.642420406263 0.725640469558 0.441282189473} Si7 39 1 8 {} {0.603030232794 0.583442536042 0.328569146006} O5 40 1 8 {} {0.624981293593 0.500404396786 0.462486232677} O6 41 1 6 {} {0.548195910245 0.581308225315 0.487243194868} C5 42 1 6 {} {0.594845897556 0.776091760674 0.485997650917} C6 43 1 8 {} {0.638100131409 0.71490864821 0.330831369809} O7 44 1 8 {} {0.690067379605 0.766997608029 0.456959269339} O8 45 1 14 {} {0.635608411733 0.422547101723 0.434595468533} Si8 46 1 7 {} {0.590272081744 0.370350548632 0.452710201676} N4 47 1 14 {} {0.570715449224 0.321155849767 0.364203178423} Si9 48 1 14 {} {0.565618798513 0.367059458746 0.55923738866} Si10 49 1 7 {} {0.600812093792 0.385809156007 0.646165691718} N5 50 1 7 {} {0.60576672318 0.2584591571 0.326942379015} N6 51 1 1 {} {0.640648751778 0.640544625546 0.559226125922} H22 52 1 1 {} {0.678849159027 0.620179276922 0.473690333802} H23 53 1 1 {} {0.615329465982 0.625804866002 0.306766644004} H24 54 1 1 {} {0.548376651434 0.571332899717 0.559390165605} H25 55 1 1 {} {0.526115172356 0.544362466744 0.455466742889} H26 56 1 1 {} {0.533775124523 0.631281987757 0.476426613098} H27 57 1 1 {} {0.594100022833 0.826530817566 0.456625846008} H28 58 1 1 {} {0.596910689739 0.781616525265 0.558928249589} H29 59 1 1 {} {0.562784238436 0.751924233701 0.470797064479} H30 60 1 1 {} {0.646152034828 0.752283455843 0.292878241981} H31 61 1 1 {} {0.690396275918 0.802047873259 0.501575502562} H32 62 1 1 {} {0.647154420787 0.417480609534 0.337864352505} H33 63 1 1 {} {0.674785368956 0.402160964856 0.489379366143} H34 64 1 1 {} {0.528946062349 0.289119319201 0.397094127036} H35 65 1 1 {} {0.562559615524 0.364004606079 0.284626328345} H36 66 1 1 {} {0.528429777036 0.416449680193 0.56539591679} H37 67 1 1 {} {0.548395999422 0.297657885646 0.570922553711} H38 68 1 1 {} {0.607398211442 0.43440053939 0.661129108769} H39 69 1 1 {} {0.627825838364 0.356700286139 0.659255525496} H40 70 1 1 {} {0.630386510592 0.269508217364 0.282695483805} H41 71 1 1 {} {0.615323024532 0.220680608425 0.368193653314} 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