#MD System 2.0 @Title neb0_image07 @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 {} {0.8492442756 0.307532856722 0.0630764864203} Si1 1 0.0 1 14 {} {0.849646424743 0.385244955045 0.444915291819} Si2 2 0.0 1 14 {} {0.0993269765167 0.307396738485 0.193166038142} Si3 3 0.0 1 14 {} {0.0996844568742 0.383598448542 0.318362660426} Si4 4 0.0 1 14 {} {0.857950867587 0.540735472612 0.438183313879} Si5 5 0.0 1 14 {} {0.104420901309 0.538192625948 0.307444455584} Si6 6 0.0 1 14 {} {0.852289890258 0.459014453593 0.0648007674622} Si7 7 0.0 1 14 {} {0.845395435582 0.229661455431 0.44226819051} Si8 8 0.0 1 14 {} {0.100618324168 0.458971390795 0.194409478199} Si9 9 0.0 1 14 {} {0.095294316177 0.228920432043 0.313982759756} Si10 10 0.0 1 8 {} {0.368325741112 0.596487824634 0.514542824218} O1 11 0.0 1 14 {} {0.345397038873 0.661871193764 0.517226471532} Si11 12 0.0 1 8 {} {0.110651753311 0.589872663738 0.210845827009} O2 13 0.0 1 1 {} {0.0108208326532 0.593053741357 0.150227329894} H1 14 0.0 1 8 {} {0.334604022773 0.178448505457 0.540835261895} O3 15 0.0 1 1 {} {0.933451225086 0.175102771183 0.601323019075} H2 16 0.0 1 8 {} {0.0842981644258 0.177180134346 0.216099581032} O4 17 0.0 1 1 {} {0.18314486398 0.173714037013 0.15579967256} H3 18 0.0 1 14 {} {0.849446303411 0.307902187941 0.564851566765} Si12 19 0.0 1 14 {} {0.850538770557 0.384123718017 0.938924839124} Si13 20 0.0 1 14 {} {0.0996952540382 0.309069221132 0.694161612023} Si14 21 0.0 1 14 {} {0.100230823485 0.387637473395 0.811471214999} Si15 22 0.0 1 14 {} {0.850363634993 0.53793180022 0.948847530056} Si16 23 0.0 1 14 {} {0.104566011243 0.54250571112 0.8276527402} Si17 24 0.0 1 14 {} {0.851014378923 0.463885705287 0.563007578287} Si18 25 0.0 1 14 {} {0.845438081894 0.228893137116 0.942666985059} Si19 26 0.0 1 14 {} {0.100086688862 0.466859218945 0.693695285373} Si20 27 0.0 1 14 {} {0.0956785973103 0.230075744986 0.814759953523} Si21 28 0.0 1 8 {} {0.365126280202 0.588628958655 0.0478298002399} O5 29 0.0 1 1 {} {0.2635582945 0.594094806645 0.105636403889} H4 30 0.0 1 8 {} {0.144310722904 0.601082356555 0.764332802337} O6 31 0.0 1 1 {} {0.0526584267891 0.619623796691 0.7207483742} H5 32 0.0 1 8 {} {0.334334055281 0.177251846559 0.0410218389909} O7 33 0.0 1 1 {} {0.933364268988 0.17381019994 0.101079339139} H6 34 0.0 1 8 {} {0.0845603242332 0.179234311755 0.714357151467} O8 35 0.0 1 1 {} {0.183929918907 0.175655686132 0.654386006874} H7 36 0.0 1 14 {} {0.349022404181 0.307416562377 0.0629339853236} Si22 37 0.0 1 14 {} {0.349264946423 0.386500729711 0.445257862101} Si23 38 0.0 1 14 {} {0.598857615263 0.307725134863 0.193263263551} Si24 39 0.0 1 14 {} {0.599453591859 0.384005286779 0.318538160865} Si25 40 0.0 1 14 {} {0.357883882549 0.541706138962 0.433525364276} Si26 41 0.0 1 14 {} {0.609822838362 0.538286307813 0.307148195929} Si27 42 0.0 1 14 {} {0.351689840092 0.458100911215 0.0680794222573} Si28 43 0.0 1 14 {} {0.345294802393 0.229886052603 0.442105267919} Si29 44 0.0 1 14 {} {0.603670534925 0.459071286033 0.193372933134} Si30 45 0.0 1 14 {} {0.59534093477 0.229153034335 0.313991630231} Si31 46 0.0 1 8 {} {0.863168790178 0.591796286949 0.533298797176} O9 47 0.0 1 1 {} {0.9360889906 0.622646061549 0.515246399932} H8 48 0.0 1 8 {} {0.615118312337 0.590742359456 0.212475276933} O10 49 0.0 1 1 {} {0.513451307642 0.594092318597 0.153060141273} H9 50 0.0 1 8 {} {0.834352539878 0.178234382257 0.541014107399} O11 51 0.0 1 1 {} {0.433753482589 0.174864039909 0.600927210529} H10 52 0.0 1 8 {} {0.584550832722 0.1774653737 0.215935183527} O12 53 0.0 1 1 {} {0.683449421183 0.174026323109 0.155655554304} H11 54 0.0 1 14 {} {0.348919608254 0.308556886734 0.563897345041} Si32 55 0.0 1 14 {} {0.34943756707 0.384017482529 0.939564529776} Si33 56 0.0 1 14 {} {0.598753730031 0.30824193424 0.693541133982} Si34 57 0.0 1 14 {} {0.599524821345 0.386229702801 0.812347946987} Si35 58 0.0 1 14 {} {0.351584621299 0.536162816254 0.953520034884} Si36 59 0.0 1 14 {} {0.598103428739 0.539655511501 0.824456035258} Si37 60 0.0 1 14 {} {0.34925954543 0.465129901703 0.563185709382} Si38 61 0.0 1 14 {} {0.34549588768 0.228851128762 0.942813551214} Si39 62 0.0 1 14 {} {0.599724960066 0.464485285219 0.692219548553} Si40 63 0.0 1 14 {} {0.595317943982 0.229564867132 0.814617879533} Si41 64 0.0 1 8 {} {0.860482814827 0.590030945206 0.0446735904726} O13 65 0.0 1 1 {} {0.760777655656 0.594389976646 0.105047240481} H12 66 0.0 1 8 {} {0.596916350133 0.595252253803 0.745298144357} O14 67 0.0 1 14 {} {0.595992560381 0.659924104216 0.744602738587} Si42 68 0.0 1 8 {} {0.834443934017 0.177263056947 0.0408429461477} O15 69 0.0 1 1 {} {0.433270820016 0.173871261289 0.10126999104} H13 70 0.0 1 8 {} {0.584587714677 0.178595229532 0.714618625297} O16 71 0.0 1 1 {} {0.683814045509 0.17525441479 0.654424496691} H14 72 0.0 1 7 {} {0.442708621556 0.687405339315 0.649374000483} N 73 0.0 1 1 {} {0.43177486137 0.755476251031 0.661005720905} H16 74 0.0 1 9 {} {0.790904526895 0.678918407544 0.714555494992} F4 75 0.0 1 9 {} {0.302295780616 0.680894616182 0.378388865659} F5 76 0.0 1 9 {} {0.545237251237 0.680546879738 0.879138168812} F3 77 0.0 1 9 {} {0.138599643593 0.666968410023 0.564102041975} F1 78 0.0 1 9 {} {0.429442625368 0.793931650818 0.66483637306} F2 79 0.0 1 9 {} {0.570969966336 0.685831832306 0.489139934045} 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 58 42 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 2 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 0 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 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 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 38 {0 0 0} 0 22 0 2 {1 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 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {0 0 0} 0 83 70 71 {0 0 0} 0 84 16 9 {0 0 0} 0 85 2 9 {0 0 0} 0 86 69 32 {0 0 0} 0 87 39 37 {0 0 0} 0 88 22 64 {0 0 1} 0 89 27 34 {0 0 0} 0 90 20 18 {-1 0 0} 0 91 55 36 {0 0 1} 0 92 43 14 {0 0 0} 0 93 46 4 {0 0 0} 0 94 23 30 {0 0 0} 0 95 60 37 {0 0 0} 0 96 12 5 {0 0 0} 0 97 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