#MD System 2.0 @Title neb0_image09 @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 {} {0.849586766172 0.308093937506 0.0622943197063} Si1 1 0.0 1 14 {} {0.850288578267 0.385398364835 0.444217737321} Si2 2 0.0 1 14 {} {0.0995242057933 0.307749935052 0.19230368359} Si3 3 0.0 1 14 {} {0.0997886297187 0.383671702876 0.317595258335} Si4 4 0.0 1 14 {} {0.860716200834 0.543159992928 0.439608199417} Si5 5 0.0 1 14 {} {0.102971101126 0.537724292066 0.304541636793} Si6 6 0.0 1 14 {} {0.846761827906 0.459292080074 0.0667828292989} Si7 7 0.0 1 14 {} {0.845984349442 0.230152575945 0.442249198456} Si8 8 0.0 1 14 {} {0.0992818158251 0.458700581716 0.191863819431} Si9 9 0.0 1 14 {} {0.0956961966773 0.229349670519 0.313598634853} Si10 10 0.0 1 8 {} {0.32061859332 0.589589846342 0.530238519869} O1 11 0.0 1 14 {} {0.344801830469 0.656378192653 0.520214382253} Si11 12 0.0 1 8 {} {0.113232171156 0.58965298282 0.208255888792} O2 13 0.0 1 1 {} {0.0131751864664 0.594465051763 0.148576756389} H1 14 0.0 1 8 {} {0.334853754425 0.178106413282 0.540204156219} O3 15 0.0 1 1 {} {0.933727690964 0.175397246979 0.600906663365} H2 16 0.0 1 8 {} {0.0845797585515 0.177584740389 0.21593798992} O4 17 0.0 1 1 {} {0.183553227929 0.174040027153 0.155811838814} H3 18 0.0 1 14 {} {0.850346778277 0.308390467141 0.565141461741} Si12 19 0.0 1 14 {} {0.84938694648 0.384873237663 0.938936956759} Si13 20 0.0 1 14 {} {0.0998944813984 0.309799595992 0.694886827736} Si14 21 0.0 1 14 {} {0.100834601866 0.388508861616 0.813237508333} Si15 22 0.0 1 14 {} {0.852864156106 0.53773525606 0.950791551394} Si16 23 0.0 1 14 {} {0.104419806266 0.54249819898 0.820887514507} Si17 24 0.0 1 14 {} {0.851552130554 0.464511984019 0.560007719584} Si18 25 0.0 1 14 {} {0.845977706419 0.229391813145 0.942472678559} Si19 26 0.0 1 14 {} {0.101478696034 0.466699667866 0.690193275511} Si20 27 0.0 1 14 {} {0.0961557991422 0.230640486765 0.814931390499} Si21 28 0.0 1 8 {} {0.363692798423 0.589683381463 0.0467302033389} O5 29 0.0 1 1 {} {0.263422233896 0.59424041992 0.107152317464} H4 30 0.0 1 8 {} {0.10941693892 0.603930169422 0.781093647509} O6 31 0.0 1 1 {} {0.108301504737 0.627413983499 0.705763892391} H5 32 0.0 1 8 {} {0.334917605236 0.17793301464 0.0410476707} O7 33 0.0 1 1 {} {0.933873224748 0.174252900558 0.100990201712} H6 34 0.0 1 8 {} {0.085107369106 0.180133859911 0.713806561807} O8 35 0.0 1 1 {} {0.184601700341 0.176248758485 0.654043779118} H7 36 0.0 1 14 {} {0.349706689535 0.308133613722 0.0624625927485} Si22 37 0.0 1 14 {} {0.350411201664 0.38465045604 0.443342620392} Si23 38 0.0 1 14 {} {0.59973643505 0.308371283399 0.192331459889} Si24 39 0.0 1 14 {} {0.600821283656 0.384404836256 0.317847444726} Si25 40 0.0 1 14 {} {0.348869006439 0.539842267214 0.43556153795} Si26 41 0.0 1 14 {} {0.606511472741 0.543297105418 0.314194570314} Si27 42 0.0 1 14 {} {0.354657857149 0.459020627387 0.0692579002107} Si28 43 0.0 1 14 {} {0.345495777667 0.229742982607 0.442138494034} Si29 44 0.0 1 14 {} {0.602301802816 0.462055528135 0.200979951156} Si30 45 0.0 1 14 {} {0.595803789651 0.229924504286 0.313894730536} Si31 46 0.0 1 8 {} {0.874550978479 0.591086425451 0.541080392382} O9 47 0.0 1 1 {} {0.954311081959 0.621608429847 0.536712790729} H8 48 0.0 1 8 {} {0.618034490178 0.591371485981 0.208054368261} O10 49 0.0 1 1 {} {0.515444664615 0.595872129617 0.150296581105} H9 50 0.0 1 8 {} {0.834583238882 0.178668108164 0.540704393339} O11 51 0.0 1 1 {} {0.433801626524 0.174771926458 0.600509380064} H10 52 0.0 1 8 {} {0.585060985443 0.178266028015 0.215905242667} O12 53 0.0 1 1 {} {0.684047802521 0.174616021174 0.155810284605} H11 54 0.0 1 14 {} {0.349070059599 0.3078817003 0.564882596366} Si32 55 0.0 1 14 {} {0.351697971261 0.385026223885 0.939597169597} Si33 56 0.0 1 14 {} {0.599559267175 0.308841741343 0.693498446345} Si34 57 0.0 1 14 {} {0.600451481493 0.38702267051 0.811864053413} Si35 58 0.0 1 14 {} {0.354529682292 0.53722218627 0.953681068294} Si36 59 0.0 1 14 {} {0.601162441628 0.541732497663 0.818453176697} Si37 60 0.0 1 14 {} {0.351614424731 0.463077836042 0.560412830896} Si38 61 0.0 1 14 {} {0.346208908929 0.229423653771 0.942657606307} Si39 62 0.0 1 14 {} {0.601602197639 0.465120980769 0.690374917492} Si40 63 0.0 1 14 {} {0.595992977608 0.230137829933 0.814615716222} Si41 64 0.0 1 8 {} {0.861990662442 0.590326050027 0.0435494830224} O13 65 0.0 1 1 {} {0.763320576306 0.59436929827 0.105733302069} H12 66 0.0 1 8 {} {0.595547734749 0.597196419467 0.74272735253} O14 67 0.0 1 14 {} {0.593307448507 0.662623054094 0.741914119891} Si42 68 0.0 1 8 {} {0.83490152023 0.177903969943 0.0408672231783} O15 69 0.0 1 1 {} {0.433929244841 0.174417916448 0.101166098676} H13 70 0.0 1 8 {} {0.584774370095 0.179357466665 0.714256689589} O16 71 0.0 1 1 {} {0.684088910597 0.175820595784 0.654229531768} H14 72 0.0 1 7 {} {0.452968171017 0.688129567586 0.638522363193} N 73 0.0 1 1 {} {0.441624187638 0.752939214499 0.646807225745} H16 74 0.0 1 9 {} {0.789895473067 0.680884771135 0.721775085854} F4 75 0.0 1 9 {} {0.270315645264 0.682769046191 0.394058469895} F5 76 0.0 1 9 {} {0.53969602211 0.680236577096 0.878090567698} F3 77 0.0 1 9 {} {0.140394930938 0.662840070052 0.587498762193} F1 78 0.0 1 9 {} {0.436782854582 0.789670889559 0.661919562575} F2 79 0.0 1 9 {} {0.551078970352 0.658364631131 0.452696511363} 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 79 11 0 0 45 38 0 0 21 19 0 0 78 73 0 0 3 1 0 0 27 20 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 1 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 1 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 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 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 33 68 {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 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 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