#MD System 2.0 @Title neb0_image01 @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 {} {0.847904037766 0.306691883385 0.0634318778533} Si1 1 0.0 1 14 {} {0.848058600109 0.385077985485 0.44481478727} Si2 2 0.0 1 14 {} {0.0977487546994 0.306721430998 0.193245586749} Si3 3 0.0 1 14 {} {0.097953239125 0.382999850748 0.318081247581} Si4 4 0.0 1 14 {} {0.853473304727 0.540644951041 0.434988835811} Si5 5 0.0 1 14 {} {0.103031374252 0.537145464616 0.308757861729} Si6 6 0.0 1 14 {} {0.849730769038 0.458182415547 0.0646956742379} Si7 7 0.0 1 14 {} {0.844323392753 0.228870179178 0.441980847884} Si8 8 0.0 1 14 {} {0.0990403697956 0.458239362062 0.193152739759} Si9 9 0.0 1 14 {} {0.0943579988951 0.228214271857 0.314232292545} Si10 10 0.0 1 8 {} {0.362454651559 0.593037741478 0.518092962471} O1 11 0.0 1 14 {} {0.345450371185 0.657021455531 0.521098513642} Si11 12 0.0 1 8 {} {0.111384766836 0.589580646382 0.213044983573} O2 13 0.0 1 1 {} {0.0116066228508 0.593047708172 0.15273284471} H1 14 0.0 1 8 {} {0.333557341541 0.177661784749 0.541559781349} O3 15 0.0 1 1 {} {0.932772153334 0.174513237119 0.601907640379} H2 16 0.0 1 8 {} {0.0833443793055 0.176558430497 0.216014535902} O4 17 0.0 1 1 {} {0.182337932258 0.173104766824 0.155819350632} H3 18 0.0 1 14 {} {0.847814950505 0.307336291951 0.564249163304} Si12 19 0.0 1 14 {} {0.849103691737 0.383114532168 0.939051731219} Si13 20 0.0 1 14 {} {0.0979889249568 0.307450183787 0.693113710959} Si14 21 0.0 1 14 {} {0.0989598300843 0.385365102713 0.812057367979} Si15 22 0.0 1 14 {} {0.850040311571 0.536912447167 0.948758600882} Si16 23 0.0 1 14 {} {0.0988218911845 0.540612447406 0.822587236469} Si17 24 0.0 1 14 {} {0.849730920403 0.463890420115 0.563170658609} Si18 25 0.0 1 14 {} {0.844275984502 0.228120803926 0.94270316106} Si19 26 0.0 1 14 {} {0.0986728739375 0.464121040315 0.693250007432} Si20 27 0.0 1 14 {} {0.094306878042 0.228883691853 0.814956338746} Si21 28 0.0 1 8 {} {0.360976342108 0.588620890494 0.0461662909506} O5 29 0.0 1 1 {} {0.261358890466 0.59319460356 0.106157769388} H4 30 0.0 1 8 {} {0.111778653457 0.596404105906 0.742427131481} O6 31 0.0 1 1 {} {0.0149901703801 0.621366045328 0.740704153332} H5 32 0.0 1 8 {} {0.333295046619 0.176438681896 0.041070869497} O7 33 0.0 1 1 {} {0.932441825171 0.173168726285 0.10133382291} H6 34 0.0 1 8 {} {0.0835389867248 0.1778640072 0.714954689047} O8 35 0.0 1 1 {} {0.182879922449 0.174536178501 0.654856961282} H7 36 0.0 1 14 {} {0.347707239655 0.306630473463 0.0634959010843} Si22 37 0.0 1 14 {} {0.348280736687 0.384970735276 0.444532934516} Si23 38 0.0 1 14 {} {0.597782673019 0.306596792235 0.1930591261} Si24 39 0.0 1 14 {} {0.59838518376 0.382879360669 0.317735214194} Si25 40 0.0 1 14 {} {0.355393908334 0.53882316618 0.432764499458} Si26 41 0.0 1 14 {} {0.605554184809 0.536873338824 0.307164087621} Si27 42 0.0 1 14 {} {0.34863918522 0.457864898265 0.0657037091754} Si28 43 0.0 1 14 {} {0.344486859902 0.228811000915 0.441946469764} Si29 44 0.0 1 14 {} {0.599980033027 0.457991381389 0.19217437831} Si30 45 0.0 1 14 {} {0.594412644259 0.228123430203 0.314057517752} Si31 46 0.0 1 8 {} {0.842893121102 0.595688888795 0.51762579399} O9 47 0.0 1 1 {} {0.939769432656 0.620936260774 0.517865793014} H8 48 0.0 1 8 {} {0.61361122983 0.588922438965 0.210745567137} O10 49 0.0 1 1 {} {0.51238535136 0.592878420326 0.151674832827} H9 50 0.0 1 8 {} {0.83346813799 0.177773398355 0.541740422416} O11 51 0.0 1 1 {} {0.432783425711 0.174385272401 0.601764787577} H10 52 0.0 1 8 {} {0.583477978077 0.17643062497 0.21594092903} O12 53 0.0 1 1 {} {0.682425446665 0.173035698282 0.155693958108} H11 54 0.0 1 14 {} {0.348032536649 0.30729042442 0.564173598085} Si32 55 0.0 1 14 {} {0.348488115989 0.383040409057 0.939295382362} Si33 56 0.0 1 14 {} {0.597918216697 0.307420967585 0.693314643773} Si34 57 0.0 1 14 {} {0.598759176323 0.385195806876 0.812625882198} Si35 58 0.0 1 14 {} {0.347422342682 0.53649336403 0.950234661964} Si36 59 0.0 1 14 {} {0.597026377102 0.538642478157 0.824951518343} Si37 60 0.0 1 14 {} {0.349002266843 0.463374130072 0.563914385574} Si38 61 0.0 1 14 {} {0.344149976281 0.228071819666 0.942801036677} Si39 62 0.0 1 14 {} {0.599500753827 0.463523960414 0.692681118023} Si40 63 0.0 1 14 {} {0.594228907176 0.228876051705 0.815068266489} Si41 64 0.0 1 8 {} {0.861820036791 0.589309921693 0.0443290479904} O13 65 0.0 1 1 {} {0.761838464284 0.593273448035 0.104695882867} H12 66 0.0 1 8 {} {0.592000522058 0.593723693183 0.742919333687} O14 67 0.0 1 14 {} {0.60364801486 0.6578178325 0.741207273976} Si42 68 0.0 1 8 {} {0.833513824877 0.176512571281 0.041034661151} O15 69 0.0 1 1 {} {0.432310851352 0.173035285388 0.101267511879} H13 70 0.0 1 8 {} {0.583477444849 0.177878631671 0.715031833594} O16 71 0.0 1 1 {} {0.682829810536 0.174601190652 0.654918062952} H14 72 0.0 1 7 {} {0.467871876504 0.683915505265 0.63444620443} N 73 0.0 1 1 {} {0.457721906859 0.724832891963 0.640313213744} H16 74 0.0 1 9 {} {0.807026731325 0.672153682345 0.721364428722} F4 75 0.0 1 9 {} {0.390692980328 0.680322729342 0.38814487258} F5 76 0.0 1 9 {} {0.56225073135 0.681062092238 0.875010086975} F3 77 0.0 1 9 {} {0.14036183335 0.670443012015 0.536236694727} F1 78 0.0 1 9 {} {0.424064267746 0.79353452135 0.665770765821} F2 79 0.0 1 9 {} {0.579141806977 0.795758550982 0.56359299685} 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 45 38 0 0 21 19 0 0 58 42 0 0 3 1 0 0 73 72 0 0 27 20 0 0 22 6 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 0 77 11 0 0 61 36 0 0 2 0 0 0 38 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 79 78 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 0 36 2 0 0 63 56 0 0 44 41 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 45 38 {0 0 0} 0 2 19 21 {1 0 0} 0 3 42 58 {0 0 -1} 0 4 3 1 {-1 0 0} 0 5 72 73 {0 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 2 {1 0 0} 0 22 0 38 {0 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 78 79 {0 0 0} 0 68 63 61 {0 0 0} 0 69 55 42 {0 0 1} 0 70 38 36 {0 0 0} 0 71 30 31 {0 0 0} 0 72 26 24 {-1 0 0} 0 73 64 65 {0 0 0} 0 74 9 43 {0 0 0} 0 75 76 67 {0 0 0} 0 76 1 18 {0 0 0} 0 77 8 3 {0 0 0} 0 78 7 9 {1 0 0} 0 79 55 21 {0 0 0} 0 80 19 6 {0 0 1} 0 81 44 42 {0 0 0} 0 82 36 2 {0 0 0} 0 83 56 63 {0 0 0} 0 84 41 44 {0 0 0} 0 85 70 71 {0 0 0} 0 86 16 9 {0 0 0} 0 87 2 9 {0 0 0} 0 88 69 32 {0 0 0} 0 89 39 37 {0 0 0} 0 90 22 64 {0 0 1} 0 91 27 34 {0 0 0} 0 92 20 18 {-1 0 0} 0 93 55 36 {0 0 1} 0 94 43 14 {0 0 0} 0 95 46 4 {0 0 0} 0 96 23 30 {0 0 0} 0 97 60 37 {0 0 0} 0 98 12 5 {0 0 0} 0 99 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