#MD System 2.0 @Title neb0_image04 @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 {} {0.848361402661 0.307127828952 0.0628750756733} Si1 1 0.0 1 14 {} {0.848750457407 0.385124144878 0.444675309753} Si2 2 0.0 1 14 {} {0.0982880479885 0.306993798253 0.193047486036} Si3 3 0.0 1 14 {} {0.0984336904425 0.38315917507 0.31778046328} Si4 4 0.0 1 14 {} {0.856095196204 0.541605283675 0.436855537242} Si5 5 0.0 1 14 {} {0.103339925079 0.53734776907 0.307019177856} Si6 6 0.0 1 14 {} {0.84826065263 0.458316202526 0.0657156959956} Si7 7 0.0 1 14 {} {0.844901340551 0.22932527511 0.442164483614} Si8 8 0.0 1 14 {} {0.099228136046 0.458319811557 0.192709834664} Si9 9 0.0 1 14 {} {0.0948033244754 0.228578043068 0.313944073145} Si10 10 0.0 1 8 {} {0.360383003331 0.594721596475 0.517652878971} O1 11 0.0 1 14 {} {0.333163169457 0.659694582968 0.526787675879} Si11 12 0.0 1 8 {} {0.111825784857 0.589472268146 0.211509547226} O2 13 0.0 1 1 {} {0.0122828071612 0.593573594503 0.151278978511} H1 14 0.0 1 8 {} {0.333872137742 0.177857343724 0.541192894661} O3 15 0.0 1 1 {} {0.933039582043 0.174751494428 0.601593954679} H2 16 0.0 1 8 {} {0.08358584351 0.176943640472 0.215901353454} O4 17 0.0 1 1 {} {0.18269288294 0.173334933644 0.155868293868} H3 18 0.0 1 14 {} {0.848722027072 0.307674535657 0.56444935301} Si12 19 0.0 1 14 {} {0.849104241618 0.383712302963 0.939110726183} Si13 20 0.0 1 14 {} {0.0986000109971 0.308132654054 0.694003624521} Si14 21 0.0 1 14 {} {0.0994572058333 0.386188229302 0.812430568675} Si15 22 0.0 1 14 {} {0.847715174114 0.536986493644 0.949862786368} Si16 23 0.0 1 14 {} {0.0984599754968 0.542798531204 0.822655321462} Si17 24 0.0 1 14 {} {0.850040032726 0.463984514785 0.561733514414} Si18 25 0.0 1 14 {} {0.84498951644 0.228522236043 0.942681338802} Si19 26 0.0 1 14 {} {0.0989726918475 0.464472420437 0.692239637199} Si20 27 0.0 1 14 {} {0.0950153664788 0.229437628402 0.814821531807} Si21 28 0.0 1 8 {} {0.362186396363 0.588680083178 0.0463735924189} O5 29 0.0 1 1 {} {0.262242001924 0.593596930996 0.106008972636} H4 30 0.0 1 8 {} {0.128618299802 0.599371076695 0.754352376174} O6 31 0.0 1 1 {} {0.0365359341731 0.622917747533 0.730733324618} H5 32 0.0 1 8 {} {0.333688765528 0.176986753231 0.0411519076454} O7 33 0.0 1 1 {} {0.932867151459 0.173438428886 0.101233852851} H6 34 0.0 1 8 {} {0.0838882954261 0.178642258938 0.714459732223} O8 35 0.0 1 1 {} {0.183385394815 0.175025865027 0.654603435895} H7 36 0.0 1 14 {} {0.348324928164 0.307097700173 0.0629401709958} Si22 37 0.0 1 14 {} {0.349052782443 0.384812966628 0.444101914382} Si23 38 0.0 1 14 {} {0.598363348894 0.30715771763 0.193009929179} Si24 39 0.0 1 14 {} {0.599271485755 0.383262927729 0.317825853281} Si25 40 0.0 1 14 {} {0.354088492456 0.540672362128 0.434838143904} Si26 41 0.0 1 14 {} {0.606241123528 0.538346112165 0.308309182233} Si27 42 0.0 1 14 {} {0.350910302901 0.458328873276 0.0667498640038} Si28 43 0.0 1 14 {} {0.344921743741 0.229080396546 0.442026286339} Si29 44 0.0 1 14 {} {0.600544778253 0.45890611848 0.194911654648} Si30 45 0.0 1 14 {} {0.594931209469 0.228698595113 0.313900721942} Si31 46 0.0 1 8 {} {0.852271278138 0.594224852874 0.525795348382} O9 47 0.0 1 1 {} {0.943990252853 0.621308504779 0.522031010632} H8 48 0.0 1 8 {} {0.613808781106 0.589805021821 0.21130600095} O10 49 0.0 1 1 {} {0.513588631749 0.593854845674 0.151313987941} H9 50 0.0 1 8 {} {0.833740787977 0.178157514911 0.541491480214} O11 51 0.0 1 1 {} {0.433053457742 0.174421254642 0.601347236745} H10 52 0.0 1 8 {} {0.583900881341 0.177080544691 0.215815376006} O12 53 0.0 1 1 {} {0.682910975667 0.173464234806 0.155691847281} H11 54 0.0 1 14 {} {0.348338194108 0.307433152411 0.564343328663} Si32 55 0.0 1 14 {} {0.349560201482 0.38376323721 0.93959316212} Si33 56 0.0 1 14 {} {0.598510056878 0.30786682889 0.693542361918} Si34 57 0.0 1 14 {} {0.599264065189 0.385821927218 0.812157051961} Si35 58 0.0 1 14 {} {0.349160713778 0.536692222428 0.950979227585} Si36 59 0.0 1 14 {} {0.5970955336 0.540338524062 0.822900014118} Si37 60 0.0 1 14 {} {0.349902880035 0.463439624913 0.562796789995} Si38 61 0.0 1 14 {} {0.34491723739 0.228502967945 0.942785846502} Si39 62 0.0 1 14 {} {0.600248995756 0.464289467246 0.692436237427} Si40 63 0.0 1 14 {} {0.594913828945 0.229273921565 0.814831575489} Si41 64 0.0 1 8 {} {0.862146724381 0.589327209968 0.0443243976856} O13 65 0.0 1 1 {} {0.762733346168 0.593766884989 0.104595655833} H12 66 0.0 1 8 {} {0.593338057517 0.595331681238 0.743108596906} O14 67 0.0 1 14 {} {0.601364303492 0.660776259576 0.739956344657} Si42 68 0.0 1 8 {} {0.833842831037 0.177027635091 0.0410993568514} O15 69 0.0 1 1 {} {0.43279085158 0.173410397491 0.101206600854} H13 70 0.0 1 8 {} {0.583747232366 0.178408785914 0.71465939456} O16 71 0.0 1 1 {} {0.683178706213 0.174928550915 0.654687481817} H14 72 0.0 1 7 {} {0.461731918438 0.68576245614 0.63562187657} N 73 0.0 1 1 {} {0.438712230271 0.744610145517 0.652304625734} H16 74 0.0 1 9 {} {0.804943676009 0.674985740315 0.720894783137} F4 75 0.0 1 9 {} {0.363287082314 0.677535252386 0.388424778992} F5 76 0.0 1 9 {} {0.554557737863 0.680408695726 0.876889128036} F3 77 0.0 1 9 {} {0.123881143902 0.668659046502 0.556597501902} F1 78 0.0 1 9 {} {0.423191374156 0.778507944437 0.67061459154} F2 79 0.0 1 9 {} {0.59097264694 0.748069726458 0.508016291254} 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