#MD System 2.0 @Title neb0_image08 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.221083851726 0.52577786806 0.335729895067} C1 1 1 14 {} {0.275019411694 0.488804547578 0.293949325265} Si1 2 1 14 {} {0.174426462109 0.534252821702 0.254742561408} Si2 3 1 8 {} {0.287575945146 0.521793762242 0.196050870648} O1 4 1 8 {} {0.314831481434 0.509246972969 0.364876666875} O2 5 1 6 {} {0.273045859884 0.395590511516 0.286910211593} C2 6 1 6 {} {0.142841596173 0.454558873746 0.23698655246} C3 7 1 8 {} {0.198904775676 0.56024968667 0.160491411199} O3 8 1 8 {} {0.139032351174 0.595312037058 0.281717780496} O4 9 1 14 {} {0.366309239013 0.53815966967 0.369699201293} Si3 10 1 7 {} {0.400308027521 0.474501297706 0.411796879966} N1 11 1 14 {} {0.453972077322 0.472590875647 0.36759621203} Si4 12 1 14 {} {0.380579334489 0.42053292919 0.494879954467} Si5 13 1 7 {} {0.351595340991 0.458650051726 0.580192287348} N2 14 1 7 {} {0.47098849822 0.554869444036 0.366307367709} N3 15 1 1 {} {0.209465624296 0.497167340428 0.394202962113} H1 16 1 1 {} {0.228940132977 0.5766172179 0.359876290846} H2 17 1 1 {} {0.26207883084 0.54199664288 0.165324887793} H3 18 1 1 {} {0.267877605115 0.37258922757 0.352741383158} H4 19 1 1 {} {0.304761523927 0.376539086582 0.260144229767} H5 20 1 1 {} {0.246265311557 0.378522600992 0.242198181222} H6 21 1 1 {} {0.116324678454 0.46076850844 0.186933479989} H7 22 1 1 {} {0.127298664147 0.43683554177 0.299180359291} H8 23 1 1 {} {0.16522987302 0.414729630956 0.213380913673} H9 24 1 1 {} {0.180355795427 0.583214521209 0.117238105989} H10 25 1 1 {} {0.110644228852 0.582965018142 0.307780779416} H11 26 1 1 {} {0.382718833652 0.557911828196 0.280009932736} H12 27 1 1 {} {0.365388992744 0.596808534663 0.43106740954} H13 28 1 1 {} {0.479591935008 0.422623916605 0.422201811897} H14 29 1 1 {} {0.457501159977 0.45400663948 0.271224299628} H15 30 1 1 {} {0.349325766357 0.371606691511 0.454235459477} H16 31 1 1 {} {0.420327493849 0.386680385859 0.533544697313} H17 32 1 1 {} {0.320016371669 0.475210412246 0.56882338128} H18 33 1 1 {} {0.367689120535 0.489167510488 0.623956867931} H19 34 1 1 {} {0.49820824683 0.56701448861 0.32952086718} H20 35 1 1 {} {0.474710622008 0.576608133675 0.427357138653} H21 36 1 6 {} {0.640497644539 0.640805073848 0.476943002841} C4 37 1 14 {} {0.601833735553 0.577114097433 0.430633613704} Si6 38 1 14 {} {0.636917131183 0.726946082893 0.431926746775} Si7 39 1 8 {} {0.596685551593 0.584812270467 0.321091788908} O5 40 1 8 {} {0.619701393879 0.501251678138 0.453136438614} O6 41 1 6 {} {0.546670740188 0.584041578692 0.4855090409} C5 42 1 6 {} {0.589208630863 0.777096956905 0.476772947116} C6 43 1 8 {} {0.632543688382 0.715837501406 0.321562665609} O7 44 1 8 {} {0.684443951742 0.76827198844 0.447656645573} O8 45 1 14 {} {0.630019658509 0.423264511762 0.425376119625} Si8 46 1 7 {} {0.584586849675 0.371396336564 0.443615408601} N4 47 1 14 {} {0.565060481974 0.322088477367 0.355002563746} Si9 48 1 14 {} {0.55993622913 0.367971492284 0.550115423747} Si10 49 1 7 {} {0.595327492749 0.386815852977 0.636764314186} N5 50 1 7 {} {0.599984339413 0.259322247924 0.317473007886} N6 51 1 1 {} {0.635060817581 0.641473892606 0.549638343532} H22 52 1 1 {} {0.674291473906 0.621800461317 0.464632833214} H23 53 1 1 {} {0.609340457971 0.626541962705 0.297807706314} H24 54 1 1 {} {0.544940257296 0.5740780534 0.55729982359} H25 55 1 1 {} {0.529169742861 0.542477952746 0.453921108721} H26 56 1 1 {} {0.529567753051 0.63124694672 0.469124454408} H27 57 1 1 {} {0.588437067829 0.827542543039 0.447389723556} H28 58 1 1 {} {0.591236356665 0.782678766181 0.549715467809} H29 59 1 1 {} {0.557109954146 0.753035193579 0.461621501632} H30 60 1 1 {} {0.640460573839 0.753277881925 0.283616383365} H31 61 1 1 {} {0.684736482261 0.803195095419 0.492374880405} H32 62 1 1 {} {0.641467623457 0.418566705327 0.328715618768} H33 63 1 1 {} {0.669181836526 0.40326564411 0.480317560083} H34 64 1 1 {} {0.52332600905 0.290214860042 0.387969643856} H35 65 1 1 {} {0.556886651035 0.365017884493 0.275699196313} H36 66 1 1 {} {0.522895156367 0.417506316508 0.557156963881} H37 67 1 1 {} {0.542716456111 0.29860914766 0.561825322819} H38 68 1 1 {} {0.601677096293 0.43534353896 0.652010851519} H39 69 1 1 {} {0.622222765673 0.357739220375 0.650233027837} H40 70 1 1 {} {0.624697611015 0.270577784691 0.273402096436} H41 71 1 1 {} {0.609603130029 0.22160172394 0.358885271917} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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