#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 {} {0.849606559516 0.30811454922 0.0622030863454} Si1 1 0.0 1 14 {} {0.850346763271 0.385400365807 0.44419014734} Si2 2 0.0 1 14 {} {0.0995402605531 0.307775699948 0.19230454733} Si3 3 0.0 1 14 {} {0.0998333689254 0.383664765271 0.317594230356} Si4 4 0.0 1 14 {} {0.860672383045 0.543343722151 0.440310593591} Si5 5 0.0 1 14 {} {0.102975879177 0.537776208226 0.304154400287} Si6 6 0.0 1 14 {} {0.846631909566 0.459290812115 0.0668107137735} Si7 7 0.0 1 14 {} {0.846010201276 0.230186701031 0.44227636015} Si8 8 0.0 1 14 {} {0.0992547103017 0.458692730041 0.191821958876} Si9 9 0.0 1 14 {} {0.0957305503542 0.229383487231 0.313583091573} Si10 10 0.0 1 8 {} {0.315871493747 0.588632795824 0.531744543085} O1 11 0.0 1 14 {} {0.348362921672 0.654913974576 0.518439713447} Si11 12 0.0 1 8 {} {0.113192178922 0.589680837144 0.208183754955} O2 13 0.0 1 1 {} {0.0131948458964 0.594488997475 0.148431086693} H1 14 0.0 1 8 {} {0.334883632919 0.178124001954 0.540168458663} O3 15 0.0 1 1 {} {0.933737746118 0.175413796958 0.600883825469} H2 16 0.0 1 8 {} {0.0846047783822 0.177612081353 0.215951153186} O4 17 0.0 1 1 {} {0.183559574977 0.174064313344 0.15581031328} H3 18 0.0 1 14 {} {0.850411046449 0.308419373382 0.565135435046} Si12 19 0.0 1 14 {} {0.849501154359 0.384906940089 0.938904412994} Si13 20 0.0 1 14 {} {0.0999305329071 0.309838805739 0.695007864322} Si14 21 0.0 1 14 {} {0.100852499066 0.388584703696 0.813237859099} Si15 22 0.0 1 14 {} {0.853065848951 0.537803515767 0.950908106083} Si16 23 0.0 1 14 {} {0.10464646857 0.543402269978 0.820065436204} Si17 24 0.0 1 14 {} {0.851694999211 0.464527321354 0.559990580836} Si18 25 0.0 1 14 {} {0.845979470427 0.229420094421 0.942476666808} Si19 26 0.0 1 14 {} {0.101558596438 0.466734573403 0.690210869597} Si20 27 0.0 1 14 {} {0.0962031787574 0.23068360123 0.814909936467} Si21 28 0.0 1 8 {} {0.363680170379 0.589704618813 0.0467433790386} O5 29 0.0 1 1 {} {0.263518888855 0.594260032621 0.10715324155} H4 30 0.0 1 8 {} {0.109443492772 0.604043689511 0.778782669258} O6 31 0.0 1 1 {} {0.109411740988 0.626677660773 0.70886180339} H5 32 0.0 1 8 {} {0.334960772669 0.177970339304 0.0410334624375} O7 33 0.0 1 1 {} {0.933885668905 0.174282639127 0.100986160778} H6 34 0.0 1 8 {} {0.085151938843 0.180171631357 0.71381040948} O8 35 0.0 1 1 {} {0.184623967545 0.176288412501 0.654018444584} H7 36 0.0 1 14 {} {0.349741379675 0.308158311626 0.0623809096049} Si22 37 0.0 1 14 {} {0.350458462072 0.384627940726 0.443389854188} Si23 38 0.0 1 14 {} {0.599780185053 0.308399690622 0.192381201561} Si24 39 0.0 1 14 {} {0.600842083107 0.384425800192 0.317797671606} Si25 40 0.0 1 14 {} {0.348834899908 0.540105405899 0.436596521153} Si26 41 0.0 1 14 {} {0.606121424006 0.54381658262 0.31439914384} Si27 42 0.0 1 14 {} {0.354827941449 0.459013172802 0.069280127101} Si28 43 0.0 1 14 {} {0.345512569568 0.22976477062 0.442157948122} Si29 44 0.0 1 14 {} {0.602410608507 0.462182939079 0.201115330194} Si30 45 0.0 1 14 {} {0.595794795918 0.229975983376 0.31387630541} Si31 46 0.0 1 8 {} {0.875397720929 0.590923663633 0.541108847626} O9 47 0.0 1 1 {} {0.954509454959 0.621521933938 0.537450274276} H8 48 0.0 1 8 {} {0.618448833487 0.591233417064 0.207537474288} O10 49 0.0 1 1 {} {0.515625420443 0.59593793679 0.150290720002} H9 50 0.0 1 8 {} {0.834595896782 0.178691595319 0.540684465739} O11 51 0.0 1 1 {} {0.433796990503 0.174781837542 0.600487948298} H10 52 0.0 1 8 {} {0.585080197891 0.178306682157 0.215912788151} O12 53 0.0 1 1 {} {0.684073901132 0.174653087718 0.155823363354} H11 54 0.0 1 14 {} {0.349081311374 0.307890859089 0.564848814706} Si32 55 0.0 1 14 {} {0.351768287865 0.385066868758 0.939588891159} Si33 56 0.0 1 14 {} {0.59958175351 0.308875060013 0.693533475475} Si34 57 0.0 1 14 {} {0.600515288034 0.387029049106 0.8118040748} Si35 58 0.0 1 14 {} {0.354746236667 0.537263593406 0.953874822458} Si36 59 0.0 1 14 {} {0.601021516341 0.541847941767 0.818126223513} Si37 60 0.0 1 14 {} {0.351466813998 0.463077728231 0.560342792083} Si38 61 0.0 1 14 {} {0.3461886396 0.229466192055 0.942678824552} Si39 62 0.0 1 14 {} {0.601606913246 0.465156182785 0.690248515917} Si40 63 0.0 1 14 {} {0.596014802115 0.230174313719 0.814594349585} Si41 64 0.0 1 8 {} {0.862036289157 0.590354581724 0.0435525156814} O13 65 0.0 1 1 {} {0.763253282575 0.594376932343 0.105816708026} H12 66 0.0 1 8 {} {0.595745298384 0.597238856941 0.742863349836} O14 67 0.0 1 14 {} {0.591539930538 0.662985811769 0.740733412596} Si42 68 0.0 1 8 {} {0.834926575112 0.17793230346 0.0408525194785} O15 69 0.0 1 1 {} {0.433964135188 0.174446748577 0.101163573614} H13 70 0.0 1 8 {} {0.584806642472 0.179392751352 0.714264186599} O16 71 0.0 1 1 {} {0.684101097088 0.17585465655 0.654215048847} H14 72 0.0 1 7 {} {0.455426764739 0.687402199217 0.634013946602} N 73 0.0 1 1 {} {0.441550017636 0.751193682284 0.646128616254} H16 74 0.0 1 9 {} {0.789472860148 0.681002286617 0.72208558456} F4 75 0.0 1 9 {} {0.276080574035 0.682472155458 0.39782348908} F5 76 0.0 1 9 {} {0.539650510036 0.680163071073 0.877823009691} F3 77 0.0 1 9 {} {0.141151366609 0.662765591992 0.587645730946} F1 78 0.0 1 9 {} {0.43688222609 0.791949012286 0.662749625803} F2 79 0.0 1 9 {} {0.541080587473 0.658255065138 0.453109617437} 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