#MD System 2.0 @Title neb0_image05 @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 {} {0.848692067304 0.307381465888 0.0628354894613} Si1 1 0.0 1 14 {} {0.849212088102 0.385213278992 0.444424842408} Si2 2 0.0 1 14 {} {0.0985640039827 0.307226488669 0.192766745933} Si3 3 0.0 1 14 {} {0.0989236450154 0.383279104879 0.317847082005} Si4 4 0.0 1 14 {} {0.857165744698 0.541932633052 0.437342547861} Si5 5 0.0 1 14 {} {0.103149460743 0.537415961817 0.306427981533} Si6 6 0.0 1 14 {} {0.847904426519 0.458581334465 0.0660035910324} Si7 7 0.0 1 14 {} {0.845049567108 0.229498362198 0.442122975857} Si8 8 0.0 1 14 {} {0.0991383847614 0.45840114327 0.192447749057} Si9 9 0.0 1 14 {} {0.0949361207329 0.228784955984 0.31394014331} Si10 10 0.0 1 8 {} {0.338962683694 0.591002115307 0.52525259584} O1 11 0.0 1 14 {} {0.347951219516 0.655875370007 0.520003341587} Si11 12 0.0 1 8 {} {0.112428243047 0.589602861756 0.210507556207} O2 13 0.0 1 1 {} {0.0124678766633 0.593787353852 0.150526855978} H1 14 0.0 1 8 {} {0.334054390877 0.17787013821 0.540900906381} O3 15 0.0 1 1 {} {0.933142391151 0.174961528863 0.601475987196} H2 16 0.0 1 8 {} {0.0838667707437 0.177087790313 0.216011682173} O4 17 0.0 1 1 {} {0.182833918182 0.173558547233 0.155845659203} H3 18 0.0 1 14 {} {0.848990414321 0.307860082438 0.564658229447} Si12 19 0.0 1 14 {} {0.849294924139 0.383952765279 0.938924956815} Si13 20 0.0 1 14 {} {0.098786881747 0.308597578598 0.69404226354} Si14 21 0.0 1 14 {} {0.09986324037 0.386930358234 0.812644758807} Si15 22 0.0 1 14 {} {0.851469542013 0.537165013638 0.949997774533} Si16 23 0.0 1 14 {} {0.101248027523 0.541869165105 0.821257519201} Si17 24 0.0 1 14 {} {0.850694578191 0.464193632934 0.561479599147} Si18 25 0.0 1 14 {} {0.845037168069 0.228745238014 0.942642636662} Si19 26 0.0 1 14 {} {0.100137329874 0.465343264502 0.691562273483} Si20 27 0.0 1 14 {} {0.0951353611361 0.229752711816 0.814994584095} Si21 28 0.0 1 8 {} {0.362087162685 0.589158639713 0.0463890429344} O5 29 0.0 1 1 {} {0.262300894889 0.593703210573 0.106669726872} H4 30 0.0 1 8 {} {0.111894510029 0.598184804042 0.764385256695} O6 31 0.0 1 1 {} {0.0613111833924 0.6260425263 0.720355882715} H5 32 0.0 1 8 {} {0.334013632721 0.177198451128 0.0410718965688} O7 33 0.0 1 1 {} {0.933033862384 0.173703374765 0.101242865039} H6 34 0.0 1 8 {} {0.0842197606257 0.179014300546 0.714407883061} O8 35 0.0 1 1 {} {0.183622872117 0.175395752474 0.65445663075} H7 36 0.0 1 14 {} {0.348623974199 0.307378774656 0.0629341158251} Si22 37 0.0 1 14 {} {0.349445645651 0.384698961978 0.443856009367} Si23 38 0.0 1 14 {} {0.598731444013 0.307463130426 0.192672891362} Si24 39 0.0 1 14 {} {0.599649892346 0.383588583988 0.31776655521} Si25 40 0.0 1 14 {} {0.352158423929 0.539325712391 0.434585099135} Si26 41 0.0 1 14 {} {0.605730718889 0.540308876438 0.310863212702} Si27 42 0.0 1 14 {} {0.351686699637 0.458396971492 0.0674263492328} Si28 43 0.0 1 14 {} {0.344910851433 0.229239377951 0.442045169668} Si29 44 0.0 1 14 {} {0.600913195294 0.460025845193 0.196765821813} Si30 45 0.0 1 14 {} {0.595009564905 0.228993877322 0.31393220875} Si31 46 0.0 1 8 {} {0.858772259136 0.593378723559 0.528944780159} O9 47 0.0 1 1 {} {0.946980851556 0.621206729443 0.528196325595} H8 48 0.0 1 8 {} {0.616181968712 0.589943143102 0.20871651843} O10 49 0.0 1 1 {} {0.514012326546 0.594356438732 0.150700921397} H9 50 0.0 1 8 {} {0.833928615439 0.178237893702 0.541274538319} O11 51 0.0 1 1 {} {0.433098734609 0.174560101737 0.601191101179} H10 52 0.0 1 8 {} {0.584203730224 0.177328219803 0.215889745453} O12 53 0.0 1 1 {} {0.683133137555 0.173791710689 0.155674734471} H11 54 0.0 1 14 {} {0.348427716344 0.307530748267 0.564556622505} Si32 55 0.0 1 14 {} {0.350075168714 0.384014102497 0.939335495445} Si33 56 0.0 1 14 {} {0.598643772487 0.308118158133 0.693389009059} Si34 57 0.0 1 14 {} {0.599647825566 0.386092803396 0.812217230785} Si35 58 0.0 1 14 {} {0.351061173266 0.536861299459 0.951887922174} Si36 59 0.0 1 14 {} {0.599063466571 0.540298319709 0.821373837467} Si37 60 0.0 1 14 {} {0.350328355547 0.463143687279 0.562015311411} Si38 61 0.0 1 14 {} {0.345072496127 0.228752339822 0.942767375661} Si39 62 0.0 1 14 {} {0.600596865986 0.464345200425 0.691414952917} Si40 63 0.0 1 14 {} {0.595007032232 0.229503351106 0.814891192823} Si41 64 0.0 1 8 {} {0.862003932172 0.58972071946 0.0439854104614} O13 65 0.0 1 1 {} {0.762683529934 0.59370527821 0.105258397571} H12 66 0.0 1 8 {} {0.593473947509 0.595745060732 0.74270593151} O14 67 0.0 1 14 {} {0.598811509527 0.660474071425 0.741249940554} Si42 68 0.0 1 8 {} {0.834135966896 0.177200956529 0.0409781401387} O15 69 0.0 1 1 {} {0.433037290431 0.173706717643 0.101220412028} H13 70 0.0 1 8 {} {0.584008351424 0.178645701633 0.714656251989} O16 71 0.0 1 1 {} {0.683317434279 0.175226730297 0.654554871527} H14 72 0.0 1 7 {} {0.462985480359 0.686153587739 0.633542331297} N 73 0.0 1 1 {} {0.449474432443 0.740155707142 0.643857424643} H16 74 0.0 1 9 {} {0.798436972248 0.67652789798 0.72153857313} F4 75 0.0 1 9 {} {0.333193727394 0.6814593537 0.391237218405} F5 76 0.0 1 9 {} {0.550735746821 0.680587253231 0.876219492715} F3 77 0.0 1 9 {} {0.143788646131 0.666584614737 0.562518471638} F1 78 0.0 1 9 {} {0.430103508847 0.791906294294 0.66473881278} F2 79 0.0 1 9 {} {0.559171949412 0.727479977887 0.510837087716} 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