#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 {} {0.8483708547 0.307071274334 0.0630131204798} Si1 1 0.0 1 14 {} {0.84877582748 0.385186591591 0.444819290295} Si2 2 0.0 1 14 {} {0.0983472788271 0.307008390163 0.1930735939} Si3 3 0.0 1 14 {} {0.09860063643 0.383207643259 0.317939619124} Si4 4 0.0 1 14 {} {0.855960386137 0.541121695713 0.436709640527} Si5 5 0.0 1 14 {} {0.103305064287 0.537439186744 0.307221234929} Si6 6 0.0 1 14 {} {0.849906124163 0.458816714996 0.0643708017013} Si7 7 0.0 1 14 {} {0.845081529683 0.229287440769 0.442212297733} Si8 8 0.0 1 14 {} {0.0994896918738 0.458482527575 0.193047516194} Si9 9 0.0 1 14 {} {0.0949288357939 0.228538202681 0.313907849106} Si10 10 0.0 1 8 {} {0.352924180009 0.59316421398 0.520622413821} O1 11 0.0 1 14 {} {0.337360603117 0.658094034751 0.522426599847} Si11 12 0.0 1 8 {} {0.111317386746 0.589643106737 0.211688297733} O2 13 0.0 1 1 {} {0.011561631773 0.593445119712 0.151392402598} H1 14 0.0 1 8 {} {0.334029615771 0.177922988401 0.541190624349} O3 15 0.0 1 1 {} {0.933135540232 0.174682773603 0.601550372348} H2 16 0.0 1 8 {} {0.0837017719433 0.176889158556 0.215949919564} O4 17 0.0 1 1 {} {0.182721277114 0.173261758699 0.155865124635} H3 18 0.0 1 14 {} {0.848783262858 0.307660260517 0.564502785331} Si12 19 0.0 1 14 {} {0.849163253209 0.383664506672 0.938997290704} Si13 20 0.0 1 14 {} {0.0988903796558 0.308203452655 0.693827510489} Si14 21 0.0 1 14 {} {0.0994644821036 0.386452663517 0.812185232187} Si15 22 0.0 1 14 {} {0.850361881239 0.537774171087 0.948664885209} Si16 23 0.0 1 14 {} {0.101423324735 0.541551253604 0.82387352278} Si17 24 0.0 1 14 {} {0.850077428672 0.464033022444 0.562801159509} Si18 25 0.0 1 14 {} {0.845022635479 0.228457236164 0.94271537202} Si19 26 0.0 1 14 {} {0.0992151423872 0.465336147304 0.693373886829} Si20 27 0.0 1 14 {} {0.0951318261696 0.229351744554 0.814806921784} Si21 28 0.0 1 8 {} {0.362563015669 0.588714523357 0.0471485680181} O5 29 0.0 1 1 {} {0.262319504057 0.593861938152 0.106322161783} H4 30 0.0 1 8 {} {0.126564957073 0.598763633431 0.752284315343} O6 31 0.0 1 1 {} {0.0290120418635 0.622534467992 0.7354923781} H5 32 0.0 1 8 {} {0.333837694161 0.176917389851 0.0411048120274} O7 33 0.0 1 1 {} {0.932918262204 0.173358922167 0.101171654056} H6 34 0.0 1 8 {} {0.0840439814629 0.178537434657 0.714517747776} O8 35 0.0 1 1 {} {0.183444662888 0.174907202915 0.654583634191} H7 36 0.0 1 14 {} {0.348291553834 0.307030712063 0.062998409829} Si22 37 0.0 1 14 {} {0.348673669221 0.385446206465 0.444782045735} Si23 38 0.0 1 14 {} {0.598274860393 0.307026587066 0.193012744417} Si24 39 0.0 1 14 {} {0.598847262276 0.383258007688 0.317895927566} Si25 40 0.0 1 14 {} {0.354000755025 0.5399328457 0.433971395447} Si26 41 0.0 1 14 {} {0.606297959134 0.538240707471 0.308272796663} Si27 42 0.0 1 14 {} {0.35025012446 0.458160792381 0.0663659522523} Si28 43 0.0 1 14 {} {0.34504536949 0.229153815822 0.442058401238} Si29 44 0.0 1 14 {} {0.601074209345 0.458852073227 0.193783453863} Si30 45 0.0 1 14 {} {0.59508792405 0.228602779879 0.313950714199} Si31 46 0.0 1 8 {} {0.854238543222 0.593706108671 0.526651599936} O9 47 0.0 1 1 {} {0.939799069664 0.622419121966 0.519087262143} H8 48 0.0 1 8 {} {0.614335636843 0.589831741892 0.211307980935} O10 49 0.0 1 1 {} {0.513051776799 0.594002841337 0.152301743954} H9 50 0.0 1 8 {} {0.833852937308 0.178107415999 0.541460296607} O11 51 0.0 1 1 {} {0.43321741827 0.174401395776 0.601302292612} H10 52 0.0 1 8 {} {0.584001526414 0.17699714622 0.215895998479} O12 53 0.0 1 1 {} {0.682963900367 0.173405396368 0.155749182379} H11 54 0.0 1 14 {} {0.348576977518 0.307715510182 0.564094542063} Si32 55 0.0 1 14 {} {0.349253432809 0.383593881404 0.939367000088} Si33 56 0.0 1 14 {} {0.598495904236 0.307927906616 0.69356374095} Si34 57 0.0 1 14 {} {0.59897358867 0.385904643244 0.812186396767} Si35 58 0.0 1 14 {} {0.349317993405 0.536665577468 0.951737687313} Si36 59 0.0 1 14 {} {0.597155658562 0.539892897023 0.823713585295} Si37 60 0.0 1 14 {} {0.34892696842 0.464001566252 0.563066422537} Si38 61 0.0 1 14 {} {0.345043441168 0.228427318849 0.942794240652} Si39 62 0.0 1 14 {} {0.599333873123 0.464359878821 0.69242998079} Si40 63 0.0 1 14 {} {0.595012634164 0.229232742135 0.81473352957} Si41 64 0.0 1 8 {} {0.861584078464 0.589672745628 0.0448786945064} O13 65 0.0 1 1 {} {0.761732882055 0.594217218108 0.105031462115} H12 66 0.0 1 8 {} {0.595176803094 0.595039619189 0.743394765569} O14 67 0.0 1 14 {} {0.603060813997 0.66007135867 0.739546585304} Si42 68 0.0 1 8 {} {0.833919712718 0.176950716888 0.0410378130442} O15 69 0.0 1 1 {} {0.432848306652 0.173340702342 0.101213357263} H13 70 0.0 1 8 {} {0.583954840075 0.178333732082 0.714714357225} O16 71 0.0 1 1 {} {0.683291563649 0.17481734874 0.654683601966} H14 72 0.0 1 7 {} {0.46805277479 0.685257179683 0.630222068956} N 73 0.0 1 1 {} {0.435477564547 0.74664368204 0.655112618985} H16 74 0.0 1 9 {} {0.804595357641 0.674601898376 0.720401468747} F4 75 0.0 1 9 {} {0.361260216749 0.679205647887 0.385640248932} F5 76 0.0 1 9 {} {0.557571240632 0.680062647091 0.875519740669} F3 77 0.0 1 9 {} {0.132469824518 0.668459614353 0.548266811477} F1 78 0.0 1 9 {} {0.415434723878 0.78343735671 0.677085838112} F2 79 0.0 1 9 {} {0.592461013457 0.744682430933 0.513592055582} 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