#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 {} {0.848335800564 0.307043375703 0.0632190263355} Si1 1 0.0 1 14 {} {0.84846481614 0.385223252792 0.444830389928} Si2 2 0.0 1 14 {} {0.0982337696455 0.306958064796 0.19319543568} Si3 3 0.0 1 14 {} {0.0982239100995 0.383203511944 0.31812051161} Si4 4 0.0 1 14 {} {0.854847815662 0.540828429402 0.435814975322} Si5 5 0.0 1 14 {} {0.102771781579 0.537152508761 0.307790883492} Si6 6 0.0 1 14 {} {0.850710775076 0.458497159486 0.0647524363285} Si7 7 0.0 1 14 {} {0.844843303754 0.22915732311 0.442093353157} Si8 8 0.0 1 14 {} {0.0992200762172 0.458263788282 0.192975668237} Si9 9 0.0 1 14 {} {0.0947631967257 0.228431489335 0.314194927247} Si10 10 0.0 1 8 {} {0.355903873383 0.592282519023 0.520002875665} O1 11 0.0 1 14 {} {0.336129943495 0.656170391574 0.52550744982} Si11 12 0.0 1 8 {} {0.111198988669 0.589676339511 0.212480927345} O2 13 0.0 1 1 {} {0.0115276870193 0.593286868084 0.152051302118} H1 14 0.0 1 8 {} {0.334008938451 0.177826719148 0.54131840803} O3 15 0.0 1 1 {} {0.933121123638 0.174699472824 0.601732863253} H2 16 0.0 1 8 {} {0.0837791314791 0.176753181134 0.216042905125} O4 17 0.0 1 1 {} {0.182721234603 0.173298566201 0.155818240583} H3 18 0.0 1 14 {} {0.848643768966 0.307601423355 0.564545068264} Si12 19 0.0 1 14 {} {0.849369958777 0.383609903793 0.938993871063} Si13 20 0.0 1 14 {} {0.098755811808 0.307982773775 0.693511331732} Si14 21 0.0 1 14 {} {0.0992084771712 0.386022071664 0.812179382436} Si15 22 0.0 1 14 {} {0.85105897037 0.537275656573 0.949223467656} Si16 23 0.0 1 14 {} {0.100886162614 0.541198298021 0.823900348136} Si17 24 0.0 1 14 {} {0.850044802529 0.463972391787 0.562891391256} Si18 25 0.0 1 14 {} {0.844855132819 0.228386293732 0.942582972107} Si19 26 0.0 1 14 {} {0.0987916897981 0.464738234331 0.693253176718} Si20 27 0.0 1 14 {} {0.0949734511239 0.229237151932 0.814925204325} Si21 28 0.0 1 8 {} {0.361988207161 0.588746247966 0.0466922163985} O5 29 0.0 1 1 {} {0.261998697257 0.593539534856 0.106295214031} H4 30 0.0 1 8 {} {0.11975074883 0.597882757964 0.748768798069} O6 31 0.0 1 1 {} {0.0206715461772 0.621843215957 0.738822945864} H5 32 0.0 1 8 {} {0.333890361573 0.176734050418 0.0410485753635} O7 33 0.0 1 1 {} {0.93285895398 0.17338143751 0.101262091045} H6 34 0.0 1 8 {} {0.0840665591708 0.178281315301 0.71476856343} O8 35 0.0 1 1 {} {0.183375457717 0.174852800129 0.654677922619} H7 36 0.0 1 14 {} {0.348113868108 0.306915217813 0.0632435320748} Si22 37 0.0 1 14 {} {0.348559304019 0.384992137301 0.4443463313} Si23 38 0.0 1 14 {} {0.598216315553 0.306977911204 0.193072177126} Si24 39 0.0 1 14 {} {0.598792528319 0.383339232199 0.317801758291} Si25 40 0.0 1 14 {} {0.354413525449 0.538748631242 0.432647746301} Si26 41 0.0 1 14 {} {0.6064239704 0.537527357063 0.307873376751} Si27 42 0.0 1 14 {} {0.349679927686 0.457936301548 0.0668188344028} Si28 43 0.0 1 14 {} {0.344824600323 0.229075456699 0.442011340342} Si29 44 0.0 1 14 {} {0.601465756544 0.458505745559 0.192501759429} Si30 45 0.0 1 14 {} {0.594792112532 0.228462346992 0.314162720519} Si31 46 0.0 1 8 {} {0.848355459542 0.594684290428 0.522582335371} O9 47 0.0 1 1 {} {0.940445328922 0.62134955016 0.518295040449} H8 48 0.0 1 8 {} {0.613956038875 0.589654945509 0.2116656013} O10 49 0.0 1 1 {} {0.51280134251 0.593430498647 0.152379586364} H9 50 0.0 1 8 {} {0.833882111774 0.17795591207 0.541539515656} O11 51 0.0 1 1 {} {0.433195634617 0.174510655812 0.601514526822} H10 52 0.0 1 8 {} {0.583951969905 0.176777626359 0.216018616636} O12 53 0.0 1 1 {} {0.682867005797 0.173374859616 0.155753030408} H11 54 0.0 1 14 {} {0.348523142155 0.307525006804 0.56426232862} Si32 55 0.0 1 14 {} {0.348884764111 0.383477285666 0.939315425633} Si33 56 0.0 1 14 {} {0.598461529992 0.307674187354 0.693343136209} Si34 57 0.0 1 14 {} {0.599115072766 0.385425471485 0.812531311036} Si35 58 0.0 1 14 {} {0.349128164395 0.536409674214 0.951465036808} Si36 59 0.0 1 14 {} {0.598328973196 0.538390336609 0.825564264288} Si37 60 0.0 1 14 {} {0.348767581623 0.463230609983 0.563651517848} Si38 61 0.0 1 14 {} {0.344835395766 0.228326208023 0.942695702314} Si39 62 0.0 1 14 {} {0.599607456247 0.463549571691 0.692309372861} Si40 63 0.0 1 14 {} {0.594777058077 0.22912089172 0.814926490929} Si41 64 0.0 1 8 {} {0.861624876925 0.589779899839 0.0443687118823} O13 65 0.0 1 1 {} {0.761668241541 0.593770381629 0.104670420957} H12 66 0.0 1 8 {} {0.593334892024 0.593532766909 0.744306182955} O14 67 0.0 1 14 {} {0.599315088374 0.657683790124 0.743544772799} Si42 68 0.0 1 8 {} {0.833950211873 0.176796360726 0.0409774041334} O15 69 0.0 1 1 {} {0.432819330375 0.17333776377 0.101310616} H13 70 0.0 1 8 {} {0.58394679438 0.178135008166 0.714894587992} O16 71 0.0 1 1 {} {0.683249214701 0.174821645698 0.654758530324} H14 72 0.0 1 7 {} {0.458833939033 0.682662640997 0.638801874447} N 73 0.0 1 1 {} {0.451507796504 0.723812885325 0.642302759906} H16 74 0.0 1 9 {} {0.800373351842 0.673689696052 0.719832890537} F4 75 0.0 1 9 {} {0.377443432075 0.680474002843 0.39280997563} F5 76 0.0 1 9 {} {0.560441517291 0.679909353978 0.878817455353} F3 77 0.0 1 9 {} {0.129677277075 0.668173638116 0.541658112569} F1 78 0.0 1 9 {} {0.443183877303 0.792252395204 0.651742790272} F2 79 0.0 1 9 {} {0.575511888777 0.78421563289 0.534876747897} 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