#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 Spin double 0.0 WyckoffPosition int -1 @end @data 14 {} {0.849363664743 0.307901651116 0.0624804201593} Si1 1 0.0 1 14 {} {0.850004076856 0.385346969896 0.444285893802} Si2 2 0.0 1 14 {} {0.099283965755 0.307613449929 0.192384548673} Si3 3 0.0 1 14 {} {0.0995506530154 0.383575622084 0.317643995753} Si4 4 0.0 1 14 {} {0.859852320352 0.542633101378 0.438356057306} Si5 5 0.0 1 14 {} {0.102957584099 0.537610006837 0.305367130793} Si6 6 0.0 1 14 {} {0.847080695759 0.459127406775 0.0665850243634} Si7 7 0.0 1 14 {} {0.845740192987 0.229982414148 0.442187669128} Si8 8 0.0 1 14 {} {0.0992695974735 0.458627750442 0.191982410621} Si9 9 0.0 1 14 {} {0.0954865625605 0.22920164787 0.313722263682} Si10 10 0.0 1 8 {} {0.328171679877 0.590751685566 0.528565227039} O1 11 0.0 1 14 {} {0.342888961278 0.656825145444 0.52138196618} Si11 12 0.0 1 8 {} {0.113084913994 0.589672612827 0.208842825553} O2 13 0.0 1 1 {} {0.012973256544 0.594268428835 0.149103883427} H1 14 0.0 1 8 {} {0.334644379264 0.178047472055 0.540391724142} O3 15 0.0 1 1 {} {0.933572355752 0.175282884034 0.601056608046} H2 16 0.0 1 8 {} {0.0843855701565 0.177451775306 0.215954509041} O4 17 0.0 1 1 {} {0.1833639799 0.173914357073 0.155819725165} H3 18 0.0 1 14 {} {0.849988926012 0.308242396421 0.565064620511} Si12 19 0.0 1 14 {} {0.849359049462 0.384630126673 0.938934226047} Si13 20 0.0 1 14 {} {0.0996105273353 0.309483956799 0.694630026793} Si14 21 0.0 1 14 {} {0.100593120142 0.388092784107 0.813080801971} Si15 22 0.0 1 14 {} {0.852428849613 0.537523407779 0.950336749859} Si16 23 0.0 1 14 {} {0.103378038727 0.541405512937 0.822055985958} Si17 24 0.0 1 14 {} {0.851332021445 0.464416453752 0.560380370806} Si18 25 0.0 1 14 {} {0.84572521416 0.229218649625 0.942491827838} Si19 26 0.0 1 14 {} {0.101048996178 0.46633890552 0.690561120454} Si20 27 0.0 1 14 {} {0.095895488338 0.230398838964 0.814981214704} Si21 28 0.0 1 8 {} {0.363387355581 0.589586593113 0.0466919910294} O5 29 0.0 1 1 {} {0.263073130355 0.594081519463 0.107008787235} H4 30 0.0 1 8 {} {0.11062644509 0.602573438454 0.778782412889} O6 31 0.0 1 1 {} {0.0957667539072 0.62785338719 0.706724789449} H5 32 0.0 1 8 {} {0.334675548863 0.177738602049 0.0410553902245} O7 33 0.0 1 1 {} {0.933652323504 0.174108761485 0.101057121183} H6 34 0.0 1 8 {} {0.0848660832494 0.179835314794 0.713961356016} O8 35 0.0 1 1 {} {0.184340822061 0.17602330689 0.654153333113} H7 36 0.0 1 14 {} {0.349429059036 0.307935127539 0.0626326834424} Si22 37 0.0 1 14 {} {0.350147405913 0.384670908586 0.4434437629} Si23 38 0.0 1 14 {} {0.599473663148 0.308139245317 0.192379105762} Si24 39 0.0 1 14 {} {0.600503592823 0.38419501275 0.317827073183} Si25 40 0.0 1 14 {} {0.349853165608 0.539335796461 0.434243654033} Si26 41 0.0 1 14 {} {0.606469022612 0.542260040478 0.313524030042} Si27 42 0.0 1 14 {} {0.353873028961 0.45888041823 0.0687838875486} Si28 43 0.0 1 14 {} {0.345341992804 0.22960998795 0.442059322867} Si29 44 0.0 1 14 {} {0.601872301759 0.461504876971 0.199869319707} Si30 45 0.0 1 14 {} {0.59560822313 0.229677072165 0.313953962863} Si31 46 0.0 1 8 {} {0.869964038739 0.591828841664 0.538233611134} O9 47 0.0 1 1 {} {0.952595251819 0.62155438216 0.534237601777} H8 48 0.0 1 8 {} {0.617415476103 0.591131744391 0.208443443875} O10 49 0.0 1 1 {} {0.514963094255 0.595445166734 0.150320251669} H9 50 0.0 1 8 {} {0.834404491198 0.178552885945 0.540858368675} O11 51 0.0 1 1 {} {0.433621649558 0.174716848957 0.600692259024} H10 52 0.0 1 8 {} {0.584826822812 0.178017411575 0.215899919413} O12 53 0.0 1 1 {} {0.68380731966 0.174399327784 0.155775390847} H11 54 0.0 1 14 {} {0.348896774126 0.307798857302 0.564854524125} Si32 55 0.0 1 14 {} {0.35131158742 0.384766869754 0.939536797804} Si33 56 0.0 1 14 {} {0.599333544638 0.308652435628 0.693417978758} Si34 57 0.0 1 14 {} {0.600230365254 0.386771807207 0.812005573549} Si35 58 0.0 1 14 {} {0.353468550578 0.537081903389 0.952930871856} Si36 59 0.0 1 14 {} {0.60067439039 0.541217601876 0.819658528299} Si37 60 0.0 1 14 {} {0.351319234636 0.463095599839 0.560913559928} Si38 61 0.0 1 14 {} {0.345891417978 0.22925186533 0.942656904403} Si39 62 0.0 1 14 {} {0.601323256195 0.464924239337 0.690640819139} Si40 63 0.0 1 14 {} {0.595709920712 0.229974306477 0.814716636116} Si41 64 0.0 1 8 {} {0.862008775273 0.590197802937 0.0437154325279} O13 65 0.0 1 1 {} {0.763227112744 0.594183132936 0.105530120254} H12 66 0.0 1 8 {} {0.594725920626 0.596950817672 0.742455242116} O14 67 0.0 1 14 {} {0.596923106265 0.661606512801 0.743050146623} Si42 68 0.0 1 8 {} {0.834692430381 0.177716432158 0.0409012153346} O15 69 0.0 1 1 {} {0.433693208869 0.174231275167 0.101179933723} H13 70 0.0 1 8 {} {0.584565898676 0.179167286098 0.71435987184} O16 71 0.0 1 1 {} {0.683886796336 0.175664108158 0.654315275721} H14 72 0.0 1 7 {} {0.453544371701 0.68799721025 0.640764514188} N 73 0.0 1 1 {} {0.442853627532 0.751774638142 0.647043775069} H16 74 0.0 1 9 {} {0.792201110445 0.679824370916 0.721486328657} F4 75 0.0 1 9 {} {0.282532405933 0.682114297663 0.389640936434} F5 76 0.0 1 9 {} {0.542211136659 0.680409394058 0.877536885176} F3 77 0.0 1 9 {} {0.140986079553 0.663821186916 0.581207402503} F1 78 0.0 1 9 {} {0.435771496278 0.787809097474 0.661616008558} F2 79 0.0 1 9 {} {0.558467455579 0.676189825368 0.466874400136} F6 80 0.0 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} {7.6631 25.3262 10.83726 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{7.6631 0 0} {0 25.3262 0} {0 0 10.83726}} {{0.130495491381 0 0} {0 0.0394848022996 0} {0 0 0.0922742464424}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 70 63 0 0 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 0 0 56 54 0 0 37 3 0 0 60 26 0 1 62 24 0 1 17 16 0 0 54 43 0 0 45 43 0 0 27 25 0 0 26 21 0 0 40 10 0 0 44 6 0 1 77 11 0 0 61 36 0 0 38 0 0 0 2 0 0 0 57 19 0 0 13 12 0 0 25 0 0 0 47 46 0 0 75 11 0 0 62 60 0 1 24 1 0 0 18 7 0 0 54 37 0 0 29 28 0 0 57 56 0 0 56 18 0 0 58 28 0 0 42 8 0 0 39 38 0 0 67 66 0 0 66 59 0 0 3 2 0 0 57 55 0 0 19 0 0 0 61 27 0 0 63 25 0 0 49 48 0 0 54 20 0 0 68 33 0 0 44 39 0 0 62 57 0 0 68 25 0 0 8 6 0 0 53 52 0 0 52 45 0 0 45 7 0 0 72 11 0 0 50 7 0 0 72 67 0 0 35 34 0 0 48 41 0 0 11 10 0 0 8 5 0 0 39 1 0 0 61 32 0 0 51 14 0 0 50 15 0 0 21 20 0 0 63 61 0 0 55 42 0 0 38 36 0 0 31 30 0 0 26 24 0 1 65 64 0 0 43 9 0 0 76 67 0 0 18 1 0 0 8 3 0 0 9 7 0 0 55 21 0 0 19 6 0 0 44 42 0 1 36 2 0 0 63 56 0 0 71 70 0 0 16 9 0 0 9 2 0 0 69 32 0 0 39 37 0 0 64 22 0 0 34 27 0 0 20 18 0 0 55 36 0 0 43 14 0 0 46 4 0 0 30 23 0 0 60 37 0 0 12 5 0 0 74 67 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 70 63 {0 0 0} 0 1 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 56 54 {0 0 0} 0 8 3 37 {0 0 0} 0 9 26 60 {0 0 0} 0 10 62 24 {0 0 0} 0 11 17 16 {0 0 0} 0 12 54 43 {0 0 0} 0 13 43 45 {0 0 0} 0 14 25 27 {1 0 0} 0 15 26 21 {0 0 0} 0 16 40 10 {0 0 0} 0 17 44 6 {0 0 0} 0 18 11 77 {0 0 0} 0 19 61 36 {0 0 1} 0 20 0 38 {0 0 0} 0 21 0 2 {1 0 0} 0 22 57 19 {0 0 0} 0 23 13 12 {0 0 0} 0 24 25 0 {0 0 1} 0 25 47 46 {0 0 0} 0 26 75 11 {0 0 0} 0 27 62 60 {0 0 0} 0 28 1 24 {0 0 0} 0 29 7 18 {0 0 0} 0 30 37 54 {0 0 0} 0 31 28 29 {0 0 0} 0 32 57 56 {0 0 0} 0 33 18 56 {0 0 0} 0 34 28 58 {0 0 -1} 0 35 8 42 {0 0 0} 0 36 38 39 {0 0 0} 0 37 67 66 {0 0 0} 0 38 59 66 {0 0 0} 0 39 3 2 {0 0 0} 0 40 57 55 {0 0 0} 0 41 0 19 {0 0 -1} 0 42 27 61 {0 0 0} 0 43 63 25 {0 0 0} 0 44 48 49 {0 0 0} 0 45 54 20 {0 0 0} 0 46 33 68 {0 0 0} 0 47 39 44 {0 0 0} 0 48 62 57 {0 0 0} 0 49 25 68 {0 0 1} 0 50 6 8 {1 0 0} 0 51 53 52 {0 0 0} 0 52 45 52 {0 0 0} 0 53 45 7 {0 0 0} 0 54 72 11 {0 0 0} 0 55 50 7 {0 0 0} 0 56 72 67 {0 0 0} 0 57 34 35 {0 0 0} 0 58 41 48 {0 0 0} 0 59 10 11 {0 0 0} 0 60 8 5 {0 0 0} 0 61 1 39 {0 0 0} 0 62 61 32 {0 0 1} 0 63 14 51 {0 0 0} 0 64 50 15 {0 0 0} 0 65 20 21 {0 0 0} 0 66 63 61 {0 0 0} 0 67 55 42 {0 0 1} 0 68 38 36 {0 0 0} 0 69 30 31 {0 0 0} 0 70 26 24 {-1 0 0} 0 71 64 65 {0 0 0} 0 72 9 43 {0 0 0} 0 73 76 67 {0 0 0} 0 74 1 18 {0 0 0} 0 75 8 3 {0 0 0} 0 76 7 9 {1 0 0} 0 77 55 21 {0 0 0} 0 78 19 6 {0 0 1} 0 79 44 42 {0 0 0} 0 80 36 2 {0 0 0} 0 81 56 63 {0 0 0} 0 82 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 67 74 {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