#MD System 2.0 @Title neb0_image02 @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 {} {0.848028989006 0.306842124181 0.0632553768731} Si1 1 0.0 1 14 {} {0.848371345393 0.385076600112 0.444639346977} Si2 2 0.0 1 14 {} {0.0978577096286 0.306824910783 0.193130806222} Si3 3 0.0 1 14 {} {0.0982626199524 0.383005506618 0.318004490747} Si4 4 0.0 1 14 {} {0.854670802113 0.540862852444 0.435185020039} Si5 5 0.0 1 14 {} {0.103293436434 0.537156434713 0.307997228909} Si6 6 0.0 1 14 {} {0.848849026896 0.458072958942 0.0653418126649} Si7 7 0.0 1 14 {} {0.844357794622 0.229003356631 0.442041388256} Si8 8 0.0 1 14 {} {0.0990464066441 0.458184738388 0.192972565417} Si9 9 0.0 1 14 {} {0.0943763104932 0.228353088943 0.314170452055} Si10 10 0.0 1 8 {} {0.35637477456 0.592587281626 0.520264653292} O1 11 0.0 1 14 {} {0.34765646852 0.657159602054 0.523604009586} Si11 12 0.0 1 8 {} {0.111841937903 0.589524308714 0.212245039491} O2 13 0.0 1 1 {} {0.0119343329128 0.593278062358 0.152045095726} H1 14 0.0 1 8 {} {0.333465956746 0.177680818767 0.541433955497} O3 15 0.0 1 1 {} {0.932713615815 0.174633574297 0.601902147692} H2 16 0.0 1 8 {} {0.083327878608 0.176698187044 0.216048206461} O4 17 0.0 1 1 {} {0.182313795295 0.173194558436 0.155874143624} H3 18 0.0 1 14 {} {0.847984511064 0.307453981744 0.564290064382} Si12 19 0.0 1 14 {} {0.849139071449 0.383263393951 0.938972080291} Si13 20 0.0 1 14 {} {0.0979882230371 0.307695042377 0.693392482323} Si14 21 0.0 1 14 {} {0.099148542266 0.385722777988 0.812150382529} Si15 22 0.0 1 14 {} {0.850179552871 0.536686534618 0.949390665778} Si16 23 0.0 1 14 {} {0.0983848477795 0.54008416314 0.82328900282} Si17 24 0.0 1 14 {} {0.849953114288 0.463949257833 0.562466710206} Si18 25 0.0 1 14 {} {0.844366411741 0.228261480812 0.942785169005} Si19 26 0.0 1 14 {} {0.0990940912401 0.464323884462 0.692637423531} Si20 27 0.0 1 14 {} {0.0943742233934 0.229088379461 0.815010156045} Si21 28 0.0 1 8 {} {0.360951165317 0.588738096447 0.0461257226989} O5 29 0.0 1 1 {} {0.26142436223 0.593297859177 0.106305045974} H4 30 0.0 1 8 {} {0.116069128788 0.595588618726 0.748399289018} O6 31 0.0 1 1 {} {0.0242371987719 0.624687595579 0.733115377849} H5 32 0.0 1 8 {} {0.333335546668 0.176632389594 0.041102759155} O7 33 0.0 1 1 {} {0.93242324117 0.173283516375 0.101422932306} H6 34 0.0 1 8 {} {0.0835500407631 0.178163259719 0.714841957793} O8 35 0.0 1 1 {} {0.182896645202 0.174748297822 0.654779639617} H7 36 0.0 1 14 {} {0.347821803868 0.306808594763 0.0632992096495} Si22 37 0.0 1 14 {} {0.348700613223 0.384746234189 0.44424034762} Si23 38 0.0 1 14 {} {0.597953691799 0.306779013855 0.192918703429} Si24 39 0.0 1 14 {} {0.598769160337 0.382974095247 0.317703770226} Si25 40 0.0 1 14 {} {0.354485928597 0.538833011273 0.433244528795} Si26 41 0.0 1 14 {} {0.605470138458 0.537702787768 0.308167998422} Si27 42 0.0 1 14 {} {0.349409988688 0.457960220734 0.0660085107192} Si28 43 0.0 1 14 {} {0.344478722156 0.228864019964 0.441991099508} Si29 44 0.0 1 14 {} {0.599850475267 0.458457123633 0.193664312325} Si30 45 0.0 1 14 {} {0.594441792321 0.228290671981 0.313949780365} Si31 46 0.0 1 8 {} {0.846493302488 0.59519288683 0.520197852488} O9 47 0.0 1 1 {} {0.941798224164 0.621042545231 0.521374932329} H8 48 0.0 1 8 {} {0.614489633307 0.589021479323 0.209690439048} O10 49 0.0 1 1 {} {0.512816215156 0.593214887893 0.150985889507} H9 50 0.0 1 8 {} {0.83344990699 0.177902924997 0.541702255497} O11 51 0.0 1 1 {} {0.43260372633 0.174400660402 0.601699297373} H10 52 0.0 1 8 {} {0.583565203042 0.176613329107 0.21587378093} O12 53 0.0 1 1 {} {0.682456558714 0.173169021807 0.155577984468} H11 54 0.0 1 14 {} {0.347955347739 0.307266258537 0.564313662563} Si32 55 0.0 1 14 {} {0.348851259357 0.383252298222 0.939190549543} Si33 56 0.0 1 14 {} {0.597985265706 0.307571499576 0.693330983223} Si34 57 0.0 1 14 {} {0.59901774483 0.385411629109 0.812472101867} Si35 58 0.0 1 14 {} {0.348371317047 0.536558487872 0.95048207562} Si36 59 0.0 1 14 {} {0.597629328493 0.539322115209 0.823571070543} Si37 60 0.0 1 14 {} {0.349498847329 0.463182963684 0.563164862062} Si38 61 0.0 1 14 {} {0.344260351234 0.228239649154 0.942855657008} Si39 62 0.0 1 14 {} {0.599854217494 0.463755787438 0.692363045399} Si40 63 0.0 1 14 {} {0.594302186336 0.229026517025 0.815065911051} Si41 64 0.0 1 8 {} {0.862026778322 0.58924375735 0.0442769860087} O13 65 0.0 1 1 {} {0.762261304557 0.593228141087 0.104827765348} H12 66 0.0 1 8 {} {0.592066040721 0.594447024128 0.742759383434} O14 67 0.0 1 14 {} {0.601600559561 0.659087742699 0.740187955078} Si42 68 0.0 1 8 {} {0.833566773845 0.176666628952 0.0410741199382} O15 69 0.0 1 1 {} {0.432366710757 0.173170604249 0.101262624354} H13 70 0.0 1 8 {} {0.583433072793 0.178092784053 0.714941034508} O16 71 0.0 1 1 {} {0.682753506514 0.17477109869 0.654809869792} H14 72 0.0 1 7 {} {0.468284983024 0.686604039301 0.633996660564} N 73 0.0 1 1 {} {0.456650100425 0.728028082429 0.640823025087} H16 74 0.0 1 9 {} {0.805677415777 0.673220114799 0.721308247328} F4 75 0.0 1 9 {} {0.376383909542 0.680785782757 0.385802698452} F5 76 0.0 1 9 {} {0.559056510356 0.680882840984 0.875415405875} F3 77 0.0 1 9 {} {0.143786925786 0.669344074033 0.54413645357} F1 78 0.0 1 9 {} {0.425109660143 0.792872686662 0.666194433797} F2 79 0.0 1 9 {} {0.57199435019 0.778620697019 0.552701455946} 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 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 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 2 {1 0 0} 0 21 0 38 {0 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 78 79 {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 41 44 {0 0 0} 0 84 70 71 {0 0 0} 0 85 16 9 {0 0 0} 0 86 2 9 {0 0 0} 0 87 69 32 {0 0 0} 0 88 39 37 {0 0 0} 0 89 22 64 {0 0 1} 0 90 27 34 {0 0 0} 0 91 20 18 {-1 0 0} 0 92 55 36 {0 0 1} 0 93 43 14 {0 0 0} 0 94 46 4 {0 0 0} 0 95 23 30 {0 0 0} 0 96 60 37 {0 0 0} 0 97 12 5 {0 0 0} 0 98 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