#MD System 2.0 @Title neb0_image07 @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 {} {0.849071136613 0.307551846068 0.0630092132979} Si1 1 0.0 1 14 {} {0.849784069325 0.38518954831 0.444579665525} Si2 2 0.0 1 14 {} {0.0990656770933 0.307346857102 0.192700734595} Si3 3 0.0 1 14 {} {0.0991936058125 0.383474729018 0.317655213184} Si4 4 0.0 1 14 {} {0.857060908548 0.541361373608 0.437133506337} Si5 5 0.0 1 14 {} {0.104662853234 0.538211829448 0.308080977032} Si6 6 0.0 1 14 {} {0.849949435711 0.458750178728 0.0658973093799} Si7 7 0.0 1 14 {} {0.845366461106 0.229658898871 0.442083138934} Si8 8 0.0 1 14 {} {0.10028990965 0.458843722512 0.193503218277} Si9 9 0.0 1 14 {} {0.0952233611123 0.228915642192 0.31390949183} Si10 10 0.0 1 8 {} {0.368906441111 0.596428983048 0.515013167059} O1 11 0.0 1 14 {} {0.341551761844 0.660893122519 0.517342648837} Si11 12 0.0 1 8 {} {0.111669463956 0.589595390881 0.210340322096} O2 13 0.0 1 1 {} {0.0118719989886 0.593421364508 0.150045313881} H1 14 0.0 1 8 {} {0.334540926862 0.178130373959 0.540699362415} O3 15 0.0 1 1 {} {0.933409830895 0.175129907731 0.601274897819} H2 16 0.0 1 8 {} {0.0841975249088 0.177181137178 0.216011317748} O4 17 0.0 1 1 {} {0.183114253635 0.173726814835 0.155801821221} H3 18 0.0 1 14 {} {0.849427996855 0.307932737934 0.564977875277} Si12 19 0.0 1 14 {} {0.849621222856 0.384124457492 0.939105329167} Si13 20 0.0 1 14 {} {0.0993916554884 0.308922038166 0.694020995252} Si14 21 0.0 1 14 {} {0.100137634749 0.38742957817 0.812727258899} Si15 22 0.0 1 14 {} {0.849915172341 0.537320401364 0.949174960847} Si16 23 0.0 1 14 {} {0.101783454452 0.542838506446 0.824977199719} Si17 24 0.0 1 14 {} {0.851007894407 0.463983028111 0.562145212364} Si18 25 0.0 1 14 {} {0.845379022281 0.22892592277 0.942565372365} Si19 26 0.0 1 14 {} {0.100159312951 0.46653095335 0.69232946872} Si20 27 0.0 1 14 {} {0.0955702922091 0.229959366038 0.815038740225} Si21 28 0.0 1 8 {} {0.364394725852 0.588805498011 0.0466923724899} O5 29 0.0 1 1 {} {0.263754170941 0.593858302476 0.105549977621} H4 30 0.0 1 8 {} {0.136627310712 0.602905554732 0.773324710682} O6 31 0.0 1 1 {} {0.0648095072826 0.621693715586 0.713846218262} H5 32 0.0 1 8 {} {0.334332038476 0.177339252499 0.0410116406681} O7 33 0.0 1 1 {} {0.933346498766 0.173850924352 0.101087401559} H6 34 0.0 1 8 {} {0.0845044256006 0.179279489078 0.714193361021} O8 35 0.0 1 1 {} {0.183946059218 0.175648677798 0.654315854919} H7 36 0.0 1 14 {} {0.349050165305 0.307586621384 0.0629963116942} Si22 37 0.0 1 14 {} {0.349190692699 0.385977302986 0.444493797899} Si23 38 0.0 1 14 {} {0.599049346572 0.307641244205 0.192619763581} Si24 39 0.0 1 14 {} {0.599810960943 0.383694128686 0.318187997459} Si25 40 0.0 1 14 {} {0.356832397184 0.541385690545 0.432235298384} Si26 41 0.0 1 14 {} {0.607395575616 0.539151303406 0.309021582469} Si27 42 0.0 1 14 {} {0.351696584025 0.458563318323 0.067762627154} Si28 43 0.0 1 14 {} {0.345295445039 0.229552137486 0.441868712182} Si29 44 0.0 1 14 {} {0.602048693219 0.459516649911 0.195191709854} Si30 45 0.0 1 14 {} {0.595391277166 0.229238313749 0.313999908903} Si31 46 0.0 1 8 {} {0.862201459252 0.592135547349 0.533499354861} O9 47 0.0 1 1 {} {0.942310224905 0.621914676319 0.520996386426} H8 48 0.0 1 8 {} {0.614581070228 0.590962421643 0.212458112611} O10 49 0.0 1 1 {} {0.513824465851 0.594206950829 0.15269707293} H9 50 0.0 1 8 {} {0.834271566149 0.178296197027 0.541013635269} O11 51 0.0 1 1 {} {0.433615350065 0.174725918691 0.600913454828} H10 52 0.0 1 8 {} {0.584537003097 0.177578845898 0.215905804433} O12 53 0.0 1 1 {} {0.683450943385 0.174082343929 0.155712174977} H11 54 0.0 1 14 {} {0.348941397471 0.308147854385 0.564547747754} Si32 55 0.0 1 14 {} {0.350147752104 0.384315759661 0.93974474957} Si33 56 0.0 1 14 {} {0.599004933114 0.308294975626 0.693536652647} Si34 57 0.0 1 14 {} {0.599594243149 0.386286091892 0.812537714969} Si35 58 0.0 1 14 {} {0.349476146338 0.536612953255 0.951658424368} Si36 59 0.0 1 14 {} {0.598137037324 0.539420645658 0.824733681979} Si37 60 0.0 1 14 {} {0.350192812364 0.465414376618 0.562087411525} Si38 61 0.0 1 14 {} {0.345574710643 0.228901222091 0.942678992025} Si39 62 0.0 1 14 {} {0.600401049878 0.464584011103 0.691551898318} Si40 63 0.0 1 14 {} {0.595396179173 0.229598823562 0.814788260785} Si41 64 0.0 1 8 {} {0.861186624873 0.58973133232 0.0442878335083} O13 65 0.0 1 1 {} {0.762138857941 0.594268085482 0.104698106863} H12 66 0.0 1 8 {} {0.598144555146 0.595304656803 0.74538726961} O14 67 0.0 1 14 {} {0.598150614105 0.6595621976 0.74498248214} Si42 68 0.0 1 8 {} {0.834453293559 0.177360235184 0.0408707268303} O15 69 0.0 1 1 {} {0.433259098322 0.173934250153 0.101223907698} H13 70 0.0 1 8 {} {0.584417856049 0.178719195722 0.714537712556} O16 71 0.0 1 1 {} {0.683691735623 0.175339018735 0.654422714489} H14 72 0.0 1 7 {} {0.448500629288 0.688059620427 0.646162560646} N 73 0.0 1 1 {} {0.435315738133 0.752710025815 0.65751923919} H16 74 0.0 1 9 {} {0.791989987888 0.678980828696 0.717764050432} F4 75 0.0 1 9 {} {0.294821484072 0.679169109185 0.378307940198} F5 76 0.0 1 9 {} {0.548239507879 0.680206035062 0.879074880439} F3 77 0.0 1 9 {} {0.136978590658 0.667639211355 0.569660002389} F1 78 0.0 1 9 {} {0.432989627077 0.791205671675 0.662020924933} F2 79 0.0 1 9 {} {0.563307022121 0.689298379002 0.491726447648} 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 58 42 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 2 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 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 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 0 8 56 54 {0 0 0} 0 9 3 37 {0 0 0} 0 10 26 60 {0 0 0} 0 11 62 24 {0 0 0} 0 12 17 16 {0 0 0} 0 13 54 43 {0 0 0} 0 14 43 45 {0 0 0} 0 15 25 27 {1 0 0} 0 16 26 21 {0 0 0} 0 17 40 10 {0 0 0} 0 18 44 6 {0 0 0} 0 19 11 77 {0 0 0} 0 20 61 36 {0 0 1} 0 21 0 38 {0 0 0} 0 22 0 2 {1 0 0} 0 23 57 19 {0 0 0} 0 24 13 12 {0 0 0} 0 25 25 0 {0 0 1} 0 26 47 46 {0 0 0} 0 27 75 11 {0 0 0} 0 28 62 60 {0 0 0} 0 29 1 24 {0 0 0} 0 30 7 18 {0 0 0} 0 31 37 54 {0 0 0} 0 32 28 29 {0 0 0} 0 33 57 56 {0 0 0} 0 34 18 56 {0 0 0} 0 35 28 58 {0 0 -1} 0 36 8 42 {0 0 0} 0 37 38 39 {0 0 0} 0 38 67 66 {0 0 0} 0 39 59 66 {0 0 0} 0 40 3 2 {0 0 0} 0 41 57 55 {0 0 0} 0 42 0 19 {0 0 -1} 0 43 27 61 {0 0 0} 0 44 63 25 {0 0 0} 0 45 48 49 {0 0 0} 0 46 54 20 {0 0 0} 0 47 68 33 {0 0 0} 0 48 39 44 {0 0 0} 0 49 62 57 {0 0 0} 0 50 25 68 {0 0 1} 0 51 6 8 {1 0 0} 0 52 53 52 {0 0 0} 0 53 45 52 {0 0 0} 0 54 45 7 {0 0 0} 0 55 72 11 {0 0 0} 0 56 50 7 {0 0 0} 0 57 72 67 {0 0 0} 0 58 34 35 {0 0 0} 0 59 41 48 {0 0 0} 0 60 10 11 {0 0 0} 0 61 8 5 {0 0 0} 0 62 1 39 {0 0 0} 0 63 61 32 {0 0 1} 0 64 14 51 {0 0 0} 0 65 50 15 {0 0 0} 0 66 20 21 {0 0 0} 0 67 63 61 {0 0 0} 0 68 55 42 {0 0 1} 0 69 38 36 {0 0 0} 0 70 30 31 {0 0 0} 0 71 26 24 {-1 0 0} 0 72 64 65 {0 0 0} 0 73 9 43 {0 0 0} 0 74 76 67 {0 0 0} 0 75 1 18 {0 0 0} 0 76 8 3 {0 0 0} 0 77 7 9 {1 0 0} 0 78 55 21 {0 0 0} 0 79 19 6 {0 0 1} 0 80 44 42 {0 0 0} 0 81 36 2 {0 0 0} 0 82 56 63 {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