#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 {} {0.848316599454 0.307122855942 0.0629530287777} Si1 1 0.0 1 14 {} {0.848700930481 0.385122647728 0.444552571313} Si2 2 0.0 1 14 {} {0.0982718993944 0.306999113838 0.192984310902} Si3 3 0.0 1 14 {} {0.0984575230013 0.383136158417 0.317909610879} Si4 4 0.0 1 14 {} {0.855473109181 0.541287930055 0.436821810214} Si5 5 0.0 1 14 {} {0.103901384623 0.537471117712 0.307424759853} Si6 6 0.0 1 14 {} {0.848941800532 0.458337275338 0.0653150780531} Si7 7 0.0 1 14 {} {0.84493886733 0.229302939572 0.442201441177} Si8 8 0.0 1 14 {} {0.0994210080465 0.458338025531 0.192867057585} Si9 9 0.0 1 14 {} {0.094820090768 0.228552972087 0.313911506347} Si10 10 0.0 1 8 {} {0.357693566282 0.594327183789 0.518396991273} O1 11 0.0 1 14 {} {0.334526618768 0.658739675787 0.525606851426} Si11 12 0.0 1 8 {} {0.111699104684 0.589516402173 0.211533978248} O2 13 0.0 1 1 {} {0.0120190526393 0.593556801784 0.151224187726} H1 14 0.0 1 8 {} {0.333897268313 0.177852162554 0.541200210606} O3 15 0.0 1 1 {} {0.933054625115 0.174735810623 0.601582929419} H2 16 0.0 1 8 {} {0.0836107266803 0.17692495832 0.215919048816} O4 17 0.0 1 1 {} {0.182682096384 0.173316529473 0.155866723794} H3 18 0.0 1 14 {} {0.848717002926 0.307663591932 0.564518547214} Si12 19 0.0 1 14 {} {0.849070784325 0.383593167181 0.938961928798} Si13 20 0.0 1 14 {} {0.0986482386197 0.308086200385 0.693828733849} Si14 21 0.0 1 14 {} {0.0994173609447 0.386202758245 0.812637623029} Si15 22 0.0 1 14 {} {0.849134049812 0.537338905284 0.949016043702} Si16 23 0.0 1 14 {} {0.0996718047697 0.541719578191 0.822947608759} Si17 24 0.0 1 14 {} {0.850014267706 0.464020738885 0.561872293975} Si18 25 0.0 1 14 {} {0.844980005871 0.228505143469 0.94273261969} Si19 26 0.0 1 14 {} {0.0990466645579 0.465281427425 0.693329165478} Si20 27 0.0 1 14 {} {0.0950256277535 0.229366938918 0.814835494936} Si21 28 0.0 1 8 {} {0.36248389918 0.588647615864 0.0465857703078} O5 29 0.0 1 1 {} {0.262374937788 0.593649776117 0.106025724073} H4 30 0.0 1 8 {} {0.129688140818 0.599258554368 0.753547146098} O6 31 0.0 1 1 {} {0.0333809456413 0.622921629186 0.731981551978} H5 32 0.0 1 8 {} {0.333714279906 0.176966895968 0.0411243764778} O7 33 0.0 1 1 {} {0.932861639663 0.173418140753 0.101213265387} H6 34 0.0 1 8 {} {0.0839127663319 0.178601308813 0.714468798927} O8 35 0.0 1 1 {} {0.183387560434 0.174988843732 0.654591111803} H7 36 0.0 1 14 {} {0.348335006913 0.307087221457 0.0629948553344} Si22 37 0.0 1 14 {} {0.348974759771 0.385010379336 0.444134376311} Si23 38 0.0 1 14 {} {0.598364515269 0.307111886627 0.192929398686} Si24 39 0.0 1 14 {} {0.599193628496 0.383126121192 0.317966969225} Si25 40 0.0 1 14 {} {0.354649309344 0.540914158941 0.435437106289} Si26 41 0.0 1 14 {} {0.605616099336 0.538446455182 0.308591450538} Si27 42 0.0 1 14 {} {0.350467344435 0.458289760515 0.0664464386699} Si28 43 0.0 1 14 {} {0.344934378339 0.229066895866 0.442052110999} Si29 44 0.0 1 14 {} {0.600517851533 0.458808727274 0.194560679544} Si30 45 0.0 1 14 {} {0.594959321712 0.228677360913 0.313865529177} Si31 46 0.0 1 8 {} {0.852795976767 0.594106127494 0.525875141459} O9 47 0.0 1 1 {} {0.942963667991 0.621669592204 0.52129505881} H8 48 0.0 1 8 {} {0.614165289902 0.58974566505 0.211147091833} O10 49 0.0 1 1 {} {0.513336798172 0.593875861853 0.151652179048} H9 50 0.0 1 8 {} {0.833757096507 0.178141869788 0.541488992002} O11 51 0.0 1 1 {} {0.433090553946 0.174413483709 0.601343819586} H10 52 0.0 1 8 {} {0.583919503767 0.17706060237 0.215845694267} O12 53 0.0 1 1 {} {0.682901919954 0.173449876717 0.155709755255} H11 54 0.0 1 14 {} {0.34840425789 0.307474879863 0.564356033366} Si32 55 0.0 1 14 {} {0.349506374601 0.383701691477 0.939494893206} Si33 56 0.0 1 14 {} {0.598508441125 0.307867031586 0.693499872076} Si34 57 0.0 1 14 {} {0.599227525041 0.385846763301 0.812312263006} Si35 58 0.0 1 14 {} {0.347998207974 0.53676540753 0.950925231938} Si36 59 0.0 1 14 {} {0.596383719108 0.540550598478 0.822177353984} Si37 60 0.0 1 14 {} {0.349503036607 0.463942832419 0.562534872132} Si38 61 0.0 1 14 {} {0.344954362464 0.228474831904 0.942823436054} Si39 62 0.0 1 14 {} {0.600059218017 0.464377574138 0.692651879749} Si40 63 0.0 1 14 {} {0.594933585774 0.229240174631 0.814799483622} Si41 64 0.0 1 8 {} {0.861821015816 0.589355732851 0.0446140300943} O13 65 0.0 1 1 {} {0.762231533853 0.593996359928 0.104964346325} H12 66 0.0 1 8 {} {0.594353236737 0.595500033995 0.743699528057} O14 67 0.0 1 14 {} {0.601081766869 0.66057853779 0.739606390036} Si42 68 0.0 1 8 {} {0.833871255116 0.177011585655 0.0410658691408} O15 69 0.0 1 1 {} {0.43277889259 0.173392812453 0.101198142377} H13 70 0.0 1 8 {} {0.58378604197 0.17838098261 0.714677150852} O16 71 0.0 1 1 {} {0.683188990853 0.174896656528 0.654685853374} H14 72 0.0 1 7 {} {0.464412269465 0.683646623031 0.633233495993} N 73 0.0 1 1 {} {0.438028159622 0.744321070495 0.653027958214} H16 74 0.0 1 9 {} {0.802934664875 0.6747211296 0.721067967827} F4 75 0.0 1 9 {} {0.361818014639 0.678183746518 0.388519123164} F5 76 0.0 1 9 {} {0.556213428203 0.680181333072 0.875827221631} F3 77 0.0 1 9 {} {0.129412265885 0.668551433143 0.553402647347} F1 78 0.0 1 9 {} {0.417596670561 0.782825809809 0.675884655597} F2 79 0.0 1 9 {} {0.594136484099 0.746774852019 0.507375080098} 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