#MD System 2.0 @Title neb0_image06 @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 {} {0.848959168079 0.307548309119 0.0629697956953} Si1 1 0.0 1 14 {} {0.849479355591 0.385207570824 0.444477159649} Si2 2 0.0 1 14 {} {0.0988610549324 0.307292149453 0.192478733425} Si3 3 0.0 1 14 {} {0.098812952924 0.383429396807 0.317595094535} Si4 4 0.0 1 14 {} {0.857764249597 0.541756470397 0.437123403251} Si5 5 0.0 1 14 {} {0.102780549374 0.537490266348 0.306551992964} Si6 6 0.0 1 14 {} {0.847445590151 0.458908605227 0.0664316794987} Si7 7 0.0 1 14 {} {0.845306149121 0.229659024908 0.442017968611} Si8 8 0.0 1 14 {} {0.0993621816123 0.458500778324 0.191738615562} Si9 9 0.0 1 14 {} {0.0951235400686 0.228897870388 0.313996858771} Si10 10 0.0 1 8 {} {0.358429981097 0.595101316674 0.516631651312} O1 11 0.0 1 14 {} {0.321187543267 0.658110700207 0.521893298967} Si11 12 0.0 1 8 {} {0.111883502997 0.589817408384 0.210910618589} O2 13 0.0 1 1 {} {0.0127086700599 0.59358463078 0.150156710081} H1 14 0.0 1 8 {} {0.334326864795 0.177964715337 0.540718968749} O3 15 0.0 1 1 {} {0.933331109468 0.175113644634 0.601318998176} H2 16 0.0 1 8 {} {0.0839989649724 0.177149951785 0.215989187625} O4 17 0.0 1 1 {} {0.183048681006 0.173710714511 0.155842356528} H3 18 0.0 1 14 {} {0.849364465547 0.307929768516 0.564969212494} Si12 19 0.0 1 14 {} {0.849301962729 0.38427663154 0.939234374041} Si13 20 0.0 1 14 {} {0.0990902556712 0.30877508197 0.69403216313} Si14 21 0.0 1 14 {} {0.0999558753423 0.387028339152 0.812791158273} Si15 22 0.0 1 14 {} {0.849025524117 0.537184003745 0.948722202017} Si16 23 0.0 1 14 {} {0.0997239024707 0.542928136992 0.82460211898} Si17 24 0.0 1 14 {} {0.850805723366 0.46404556567 0.561651281909} Si18 25 0.0 1 14 {} {0.845375334938 0.228886960525 0.942483671751} Si19 26 0.0 1 14 {} {0.0997084678859 0.465045568557 0.690677863421} Si20 27 0.0 1 14 {} {0.0954699403412 0.229948946349 0.8149884895} Si21 28 0.0 1 8 {} {0.363697766117 0.589047058694 0.0462913019997} O5 29 0.0 1 1 {} {0.263106312372 0.593585337268 0.105567075519} H4 30 0.0 1 8 {} {0.130603118365 0.602188581625 0.771549674563} O6 31 0.0 1 1 {} {0.061462729549 0.623721812441 0.715706924486} H5 32 0.0 1 8 {} {0.334152122957 0.177277485059 0.0410508348843} O7 33 0.0 1 1 {} {0.933268941379 0.173848406435 0.101128713107} H6 34 0.0 1 8 {} {0.0843506721062 0.179190627268 0.714238553584} O8 35 0.0 1 1 {} {0.183867352922 0.17560878953 0.654380218532} H7 36 0.0 1 14 {} {0.349008236195 0.307533697573 0.063084091683} Si22 37 0.0 1 14 {} {0.349518136334 0.384857508272 0.443606255285} Si23 38 0.0 1 14 {} {0.599027534456 0.307712017226 0.192490812251} Si24 39 0.0 1 14 {} {0.600042475945 0.383721518809 0.318111929853} Si25 40 0.0 1 14 {} {0.353270451687 0.540021780016 0.432731267438} Si26 41 0.0 1 14 {} {0.607172398483 0.539443430966 0.309936731815} Si27 42 0.0 1 14 {} {0.352507267316 0.458879230638 0.0679758762912} Si28 43 0.0 1 14 {} {0.345163119507 0.229387731822 0.441826171751} Si29 44 0.0 1 14 {} {0.601193281036 0.459785086173 0.196401860481} Si30 45 0.0 1 14 {} {0.595286462416 0.229228572752 0.31406788707} Si31 46 0.0 1 8 {} {0.858317987036 0.593099034874 0.532218779668} O9 47 0.0 1 1 {} {0.946561740272 0.6209323154 0.525014000361} H8 48 0.0 1 8 {} {0.613473519866 0.591074316751 0.212373100255} O10 49 0.0 1 1 {} {0.514205842481 0.594139112457 0.151012302677} H9 50 0.0 1 8 {} {0.834111288012 0.178305007924 0.541090852305} O11 51 0.0 1 1 {} {0.433407335485 0.174668185483 0.600991001405} H10 52 0.0 1 8 {} {0.584395082811 0.177527769251 0.215923282503} O12 53 0.0 1 1 {} {0.683371044817 0.17402459051 0.155729949166} H11 54 0.0 1 14 {} {0.348678018748 0.307676642672 0.564865721213} Si32 55 0.0 1 14 {} {0.35027846992 0.384357290858 0.939820704687} Si33 56 0.0 1 14 {} {0.598973723074 0.308263843245 0.693286009335} Si34 57 0.0 1 14 {} {0.599682170859 0.386350624875 0.812158819529} Si35 58 0.0 1 14 {} {0.350209074235 0.536903115954 0.950478245572} Si36 59 0.0 1 14 {} {0.598492873248 0.539609815026 0.825398628322} Si37 60 0.0 1 14 {} {0.350665727045 0.463425988347 0.5630363981} Si38 61 0.0 1 14 {} {0.345388318206 0.228883852635 0.942652158068} Si39 62 0.0 1 14 {} {0.601100541671 0.464742353615 0.691341013409} Si40 63 0.0 1 14 {} {0.595313614079 0.229608887314 0.814905642559} Si41 64 0.0 1 8 {} {0.862436933461 0.589717245291 0.0437038176119} O13 65 0.0 1 1 {} {0.763429441184 0.593770624297 0.104250009653} H12 66 0.0 1 8 {} {0.592733035454 0.595338185888 0.743241303271} O14 67 0.0 1 14 {} {0.605465888311 0.659353942238 0.742795030254} Si42 68 0.0 1 8 {} {0.83426504798 0.177302596732 0.0409324503081} O15 69 0.0 1 1 {} {0.433223448505 0.173908037696 0.101204318614} H13 70 0.0 1 8 {} {0.584189162811 0.178711328128 0.714548357658} O16 71 0.0 1 1 {} {0.683571216694 0.175365469327 0.654483148552} H14 72 0.0 1 7 {} {0.465718997473 0.684931462286 0.628238186408} N 73 0.0 1 1 {} {0.435811172012 0.750594578366 0.65255504283} H16 74 0.0 1 9 {} {0.800998754448 0.679130419699 0.71929037909} F4 75 0.0 1 9 {} {0.314636270676 0.675960256743 0.381868161252} F5 76 0.0 1 9 {} {0.54558843301 0.681171799056 0.874759418316} F3 77 0.0 1 9 {} {0.121343998586 0.668461733301 0.5739450786} F1 78 0.0 1 9 {} {0.433284509281 0.788476801408 0.664138966628} F2 79 0.0 1 9 {} {0.585390054735 0.708315888425 0.508859255074} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 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