#MD System 2.0 @Title neb0_image05 @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 {} {0.848646642596 0.307332698339 0.0629664915342} Si1 1 0.0 1 14 {} {0.849163869588 0.38520263895 0.444540753657} Si2 2 0.0 1 14 {} {0.0985436200138 0.307174617525 0.192720516871} Si3 3 0.0 1 14 {} {0.0987828053823 0.38328241937 0.317741410771} Si4 4 0.0 1 14 {} {0.857302634722 0.541513971623 0.436259812685} Si5 5 0.0 1 14 {} {0.102968995209 0.537389460596 0.306753202673} Si6 6 0.0 1 14 {} {0.84773475025 0.458641291005 0.066045201435} Si7 7 0.0 1 14 {} {0.845017640796 0.229460436588 0.442038709197} Si8 8 0.0 1 14 {} {0.0992174836975 0.458388119827 0.192361425714} Si9 9 0.0 1 14 {} {0.0949120728612 0.228724142457 0.314021913571} Si10 10 0.0 1 8 {} {0.348693139349 0.592322831652 0.522805795543} O1 11 0.0 1 14 {} {0.333924080321 0.657541875844 0.52237188809} Si11 12 0.0 1 8 {} {0.112373161636 0.589606607662 0.21095771942} O2 13 0.0 1 1 {} {0.0123877305854 0.593702150657 0.150626074374} H1 14 0.0 1 8 {} {0.334045812698 0.177900631242 0.540956343748} O3 15 0.0 1 1 {} {0.933124099724 0.174923350383 0.601482681492} H2 16 0.0 1 8 {} {0.0838162484776 0.177073226171 0.215964720446} O4 17 0.0 1 1 {} {0.182813001719 0.173517968768 0.155855609294} H3 18 0.0 1 14 {} {0.848949521079 0.307833129545 0.564702780982} Si12 19 0.0 1 14 {} {0.84923526577 0.383938880926 0.939061353988} Si13 20 0.0 1 14 {} {0.098743130877 0.308525593247 0.693985834648} Si14 21 0.0 1 14 {} {0.0997976858127 0.386798129236 0.812511433212} Si15 22 0.0 1 14 {} {0.850300827617 0.537010678587 0.949405620163} Si16 23 0.0 1 14 {} {0.0990213057467 0.53871320383 0.826486544732} Si17 24 0.0 1 14 {} {0.850618293384 0.464073795996 0.561690523665} Si18 25 0.0 1 14 {} {0.845059628724 0.228687238598 0.942578303645} Si19 26 0.0 1 14 {} {0.0997609566197 0.464923581982 0.69128577885} Si20 27 0.0 1 14 {} {0.0951427052799 0.22968288153 0.815011952481} Si21 28 0.0 1 8 {} {0.362418036136 0.589089737187 0.0463396934996} O5 29 0.0 1 1 {} {0.262232715255 0.593643722206 0.106403383179} H4 30 0.0 1 8 {} {0.121037465899 0.601324057921 0.760934209455} O6 31 0.0 1 1 {} {0.0535890979657 0.626401566054 0.719973249524} H5 32 0.0 1 8 {} {0.333954309888 0.177169943678 0.0411009337106} O7 33 0.0 1 1 {} {0.933001092582 0.173652973207 0.101216993986} H6 34 0.0 1 8 {} {0.084158562372 0.17896182112 0.714388739999} O8 35 0.0 1 1 {} {0.183574233271 0.17532773101 0.654495319429} H7 36 0.0 1 14 {} {0.348601033568 0.307329992545 0.0630655394298} Si22 37 0.0 1 14 {} {0.34939449856 0.384732590202 0.443847402756} Si23 38 0.0 1 14 {} {0.598686243932 0.307433870203 0.192652433917} Si24 39 0.0 1 14 {} {0.599618890956 0.383590877951 0.317773962863} Si25 40 0.0 1 14 {} {0.352483866871 0.538877353717 0.432879875712} Si26 41 0.0 1 14 {} {0.606318533754 0.539502337287 0.310245555217} Si27 42 0.0 1 14 {} {0.351692595924 0.45847928677 0.0674093038697} Si28 43 0.0 1 14 {} {0.344947056216 0.229196374178 0.441879529849} Si29 44 0.0 1 14 {} {0.600733461088 0.459749725679 0.196444980891} Si30 45 0.0 1 14 {} {0.595023614438 0.228929608175 0.314049850738} Si31 46 0.0 1 8 {} {0.856347843688 0.5938445736 0.529306406573} O9 47 0.0 1 1 {} {0.946888956105 0.621288790615 0.52618430819} H8 48 0.0 1 8 {} {0.615243365288 0.590198110517 0.210062346815} O10 49 0.0 1 1 {} {0.513704511756 0.594193543799 0.150581479198} H9 50 0.0 1 8 {} {0.833906065859 0.178242590405 0.54131827177} O11 51 0.0 1 1 {} {0.433104832514 0.174532953837 0.601198564273} H10 52 0.0 1 8 {} {0.584152566252 0.177309922211 0.215866345799} O12 53 0.0 1 1 {} {0.683086290347 0.173734613342 0.155691431706} H11 54 0.0 1 14 {} {0.348406317608 0.30754172065 0.564664278312} Si32 55 0.0 1 14 {} {0.349993182402 0.38399721949 0.939465591572} Si33 56 0.0 1 14 {} {0.598663762412 0.308072572713 0.69330133715} Si34 57 0.0 1 14 {} {0.599544317988 0.38603864333 0.81221981002} Si35 58 0.0 1 14 {} {0.350634640251 0.536759390063 0.951034075602} Si36 59 0.0 1 14 {} {0.598624011769 0.540059885071 0.823131595954} Si37 60 0.0 1 14 {} {0.350380164556 0.463108643535 0.562562443757} Si38 61 0.0 1 14 {} {0.345058951516 0.228686223539 0.942691911075} Si39 62 0.0 1 14 {} {0.600595369489 0.464386907269 0.691389276304} Si40 63 0.0 1 14 {} {0.59499698279 0.229442729602 0.814949599493} Si41 64 0.0 1 8 {} {0.862411254007 0.58965746741 0.0438886865335} O13 65 0.0 1 1 {} {0.762742746951 0.593674880113 0.104946647956} H12 66 0.0 1 8 {} {0.592028982001 0.595657815351 0.742203820342} O14 67 0.0 1 14 {} {0.604446740807 0.659914200175 0.743152680181} Si42 68 0.0 1 8 {} {0.834076620897 0.177184335074 0.0410175689395} O15 69 0.0 1 1 {} {0.432980518681 0.173655186383 0.101203851001} H13 70 0.0 1 8 {} {0.58396592855 0.178616137303 0.714623346581} O16 71 0.0 1 1 {} {0.683300112041 0.175167573361 0.654584102686} H14 72 0.0 1 7 {} {0.466659678616 0.686923151091 0.631674240531} N 73 0.0 1 1 {} {0.441505090414 0.749661945016 0.649956644544} H16 74 0.0 1 9 {} {0.801989136861 0.676778468338 0.720537975627} F4 75 0.0 1 9 {} {0.340163438407 0.6797225602 0.385512686844} F5 76 0.0 1 9 {} {0.549683411468 0.68081844221 0.876391542472} F3 77 0.0 1 9 {} {0.134391663949 0.667264526582 0.564142737038} F1 78 0.0 1 9 {} {0.431133217462 0.782288557662 0.664277336902} F2 79 0.0 1 9 {} {0.569669580871 0.728730909501 0.512227026583} 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 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 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 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 20 27 {0 0 0} 0 6 22 6 {0 0 1} 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 68 33 {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 41 44 {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