#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 {} {0.225743434738 0.525464315199 0.339687548193} C1 1 1 14 {} {0.278312321854 0.486784621884 0.300550263274} Si1 2 1 14 {} {0.179530269242 0.531736453212 0.260228295466} Si2 3 1 8 {} {0.289635545948 0.505791766268 0.194139037435} O1 4 1 8 {} {0.315271291708 0.518811225603 0.370778676693} O2 5 1 6 {} {0.27897622231 0.393353556417 0.299345619359} C2 6 1 6 {} {0.147617466594 0.452812227238 0.242857765533} C3 7 1 8 {} {0.204613572294 0.566753055083 0.1725256769} O3 8 1 8 {} {0.143714248392 0.586328625393 0.297921629732} O4 9 1 14 {} {0.367628764825 0.541699864945 0.374959076194} Si3 10 1 7 {} {0.388500002196 0.462456531449 0.412865906115} N1 11 1 14 {} {0.419422328517 0.447141493421 0.286579732505} Si4 12 1 14 {} {0.381898759454 0.415596784404 0.511581947196} Si5 13 1 7 {} {0.352853845269 0.455393671985 0.596766481323} N2 14 1 7 {} {0.346921410355 0.592785460083 0.149903151302} N3 15 1 1 {} {0.215148147521 0.49708741707 0.398756118241} H1 16 1 1 {} {0.236143378976 0.576091233699 0.361522979795} H2 17 1 1 {} {0.267948502829 0.541285373004 0.168141460981} H3 18 1 1 {} {0.272840900691 0.367535171068 0.362314606081} H4 19 1 1 {} {0.309987772611 0.371733163235 0.273208283125} H5 20 1 1 {} {0.251835841072 0.378887591969 0.254238976732} H6 21 1 1 {} {0.120908869466 0.462039626726 0.193867836167} H7 22 1 1 {} {0.131619650273 0.438610614479 0.306711878738} H8 23 1 1 {} {0.168346920536 0.410581687388 0.221041416036} H9 24 1 1 {} {0.183392955767 0.584263513161 0.126948601551} H10 25 1 1 {} {0.114051061593 0.573516245658 0.322656892772} H11 26 1 1 {} {0.383413139938 0.557757251155 0.289926512759} H12 27 1 1 {} {0.37221672335 0.595628056334 0.442240945454} H13 28 1 1 {} {0.484099335516 0.468055820522 0.393350665933} H14 29 1 1 {} {0.446733681577 0.383832195496 0.222698879305} H15 30 1 1 {} {0.351681181536 0.363557632936 0.469679671693} H16 31 1 1 {} {0.425940101711 0.386049959092 0.539586013469} H17 32 1 1 {} {0.323623649713 0.475139512471 0.577916311173} H18 33 1 1 {} {0.368733989126 0.491460641346 0.633431973386} H19 34 1 1 {} {0.463999850991 0.533122798815 0.29677005918} H20 35 1 1 {} {0.302504706003 0.606733418944 0.23236112519} H21 36 1 6 {} {0.668977813519 0.65380779813 0.468151097918} C4 37 1 14 {} {0.636355646669 0.592546501134 0.464984171544} Si6 38 1 14 {} {0.637582316354 0.732807473079 0.417850852394} Si7 39 1 8 {} {0.56991036849 0.597380779667 0.361952193155} O5 40 1 8 {} {0.634369953866 0.502308715839 0.443073277143} O6 41 1 6 {} {0.620405473867 0.606324454105 0.62933483641} C5 42 1 6 {} {0.5846000799 0.777325918528 0.465270821042} C6 43 1 8 {} {0.637040065386 0.713294801935 0.308039857964} O7 44 1 8 {} {0.680063865438 0.784682664257 0.435372753924} O8 45 1 14 {} {0.629063578209 0.420817205468 0.42363336631} Si8 46 1 7 {} {0.579141665966 0.370197909054 0.428811820836} N4 47 1 14 {} {0.561406907394 0.324366275995 0.352160268227} Si9 48 1 14 {} {0.555722573557 0.369361088684 0.554231436405} Si10 49 1 7 {} {0.592195911339 0.387210826787 0.617986523211} N5 50 1 7 {} {0.592448410848 0.256679845263 0.301217404901} N6 51 1 1 {} {0.640495364518 0.644288561315 0.534796407681} H22 52 1 1 {} {0.70492843718 0.648913605603 0.46557332493} H23 53 1 1 {} {0.594716744361 0.618003284841 0.297386514327} H24 54 1 1 {} {0.606012794885 0.629193527033 0.707988620539} H25 55 1 1 {} {0.673804511426 0.479746007399 0.621515679031} H26 56 1 1 {} {0.557204866222 0.599512274976 0.520801711522} H27 57 1 1 {} {0.582978299345 0.828730158588 0.435960370596} H28 58 1 1 {} {0.586846632791 0.784588349779 0.538974255641} H29 59 1 1 {} {0.55061867879 0.756931313423 0.453807994766} H30 60 1 1 {} {0.636002076526 0.753381799703 0.268492358509} H31 61 1 1 {} {0.679332827131 0.811475161949 0.48694878582} H32 62 1 1 {} {0.635712630864 0.419389845199 0.318058697163} H33 63 1 1 {} {0.667572358322 0.403384659757 0.474631104977} H34 64 1 1 {} {0.519299639968 0.292832620232 0.382139007165} H35 65 1 1 {} {0.552277151219 0.367205384346 0.271585855564} H36 66 1 1 {} {0.516519111086 0.417694572151 0.570224322989} H37 67 1 1 {} {0.537591029144 0.295095114187 0.556783517212} H38 68 1 1 {} {0.5938725013 0.433744293818 0.647067311112} H39 69 1 1 {} {0.618330449407 0.359335257967 0.646855561127} H40 70 1 1 {} {0.617187868324 0.271149530269 0.259582235551} H41 71 1 1 {} {0.601279805737 0.217717256535 0.340500270927} 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