#MD System 2.0 @Title neb0_image03 @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 {} {0.848320668053 0.307066448451 0.0629437119603} Si1 1 0.0 1 14 {} {0.848746133974 0.385122025793 0.444649366743} Si2 2 0.0 1 14 {} {0.0982083993948 0.306986855148 0.193089922386} Si3 3 0.0 1 14 {} {0.0985053881526 0.383133562613 0.31786088935} Si4 4 0.0 1 14 {} {0.856047631523 0.541404285724 0.436270511654} Si5 5 0.0 1 14 {} {0.103282860013 0.537289378548 0.307050345374} Si6 6 0.0 1 14 {} {0.848372855604 0.458306437848 0.0655694982268} Si7 7 0.0 1 14 {} {0.844732848729 0.229229672597 0.442168293056} Si8 8 0.0 1 14 {} {0.0991082721008 0.4582734702 0.192844013657} Si9 9 0.0 1 14 {} {0.0946534142397 0.228537862705 0.313956944448} Si10 10 0.0 1 8 {} {0.35462028684 0.592982614923 0.520881539044} O1 11 0.0 1 14 {} {0.340672273909 0.658465081104 0.524935644926} Si11 12 0.0 1 8 {} {0.111985846655 0.589448796636 0.211570316525} O2 13 0.0 1 1 {} {0.0121994693644 0.593533829793 0.151393705215} H1 14 0.0 1 8 {} {0.333783329541 0.177796007801 0.54121594759} O3 15 0.0 1 1 {} {0.932916878495 0.174747566704 0.601683464555} H2 16 0.0 1 8 {} {0.0835759164945 0.176889923313 0.215981096091} O4 17 0.0 1 1 {} {0.18256111088 0.17332827676 0.155877288022} H3 18 0.0 1 14 {} {0.848501787904 0.307636857337 0.56436518377} Si12 19 0.0 1 14 {} {0.849118685869 0.383602016291 0.939032851349} Si13 20 0.0 1 14 {} {0.0984310093461 0.308081424623 0.693853022079} Si14 21 0.0 1 14 {} {0.0994303247765 0.386175777227 0.812261794006} Si15 22 0.0 1 14 {} {0.84936021577 0.536837119916 0.950203784844} Si16 23 0.0 1 14 {} {0.0984070187447 0.54051063313 0.823745774273} Si17 24 0.0 1 14 {} {0.850143406736 0.464007762155 0.561893950243} Si18 25 0.0 1 14 {} {0.844737756358 0.228466128719 0.942778885934} Si19 26 0.0 1 14 {} {0.0993154944372 0.464457241436 0.692169901573} Si20 27 0.0 1 14 {} {0.0947842501141 0.229383360947 0.8148667557} Si21 28 0.0 1 8 {} {0.361485360086 0.588781480968 0.0462417737258} O5 29 0.0 1 1 {} {0.261899495803 0.593529387923 0.106377366392} H4 30 0.0 1 8 {} {0.120350844985 0.597981779452 0.753430117759} O6 31 0.0 1 1 {} {0.036692813972 0.625213499859 0.728443060992} H5 32 0.0 1 8 {} {0.333658416753 0.176912139186 0.0411197953022} O7 33 0.0 1 1 {} {0.932718663639 0.17343562511 0.101302824534} H6 34 0.0 1 8 {} {0.0838577015505 0.17855313371 0.714608122134} O8 35 0.0 1 1 {} {0.183228137064 0.175001457307 0.654653954525} H7 36 0.0 1 14 {} {0.34818733878 0.307050839423 0.0630195611816} Si22 37 0.0 1 14 {} {0.348993976155 0.384718408037 0.444128095337} Si23 38 0.0 1 14 {} {0.598301025922 0.307077807233 0.192961788937} Si24 39 0.0 1 14 {} {0.599150091408 0.383252229564 0.317698579445} Si25 40 0.0 1 14 {} {0.353551560024 0.539461353006 0.433908545825} Si26 41 0.0 1 14 {} {0.605852539982 0.538514071247 0.308716096599} Si27 42 0.0 1 14 {} {0.350520653321 0.458207324207 0.0665679116476} Si28 43 0.0 1 14 {} {0.344721630245 0.229025943115 0.442072523528} Si29 44 0.0 1 14 {} {0.60033736253 0.459030279454 0.195067725605} Si30 45 0.0 1 14 {} {0.594734871204 0.228607596474 0.313871428088} Si31 46 0.0 1 8 {} {0.851559411044 0.594481537866 0.524467315563} O9 47 0.0 1 1 {} {0.944389405064 0.621261659452 0.523461411622} H8 48 0.0 1 8 {} {0.614687869013 0.589517907762 0.210062709444} O10 49 0.0 1 1 {} {0.513382289942 0.593770416681 0.150927440483} H9 50 0.0 1 8 {} {0.833700283749 0.178083963372 0.541527985765} O11 51 0.0 1 1 {} {0.432864774156 0.174439396683 0.601442497761} H10 52 0.0 1 8 {} {0.5838633106 0.176968887741 0.215855690303} O12 53 0.0 1 1 {} {0.682765688157 0.173420567742 0.155659210088} H11 54 0.0 1 14 {} {0.348211144781 0.307382957479 0.564325907453} Si32 55 0.0 1 14 {} {0.349427720964 0.383624518403 0.939372973714} Si33 56 0.0 1 14 {} {0.598359164 0.307811965925 0.693517271012} Si34 57 0.0 1 14 {} {0.59926209234 0.385719394449 0.812237598549} Si35 58 0.0 1 14 {} {0.349766408545 0.536651500305 0.951347160983} Si36 59 0.0 1 14 {} {0.598058560663 0.540064941047 0.822448579982} Si37 60 0.0 1 14 {} {0.349908614488 0.463179832098 0.562670199428} Si38 61 0.0 1 14 {} {0.34468323886 0.228456673694 0.942870684061} Si39 62 0.0 1 14 {} {0.600151127286 0.464072845133 0.692220913678} Si40 63 0.0 1 14 {} {0.594678296473 0.229226205256 0.814874739907} Si41 64 0.0 1 8 {} {0.862223669858 0.589341555012 0.0441089830347} O13 65 0.0 1 1 {} {0.762526785025 0.593534657188 0.104831977759} H12 66 0.0 1 8 {} {0.593030467059 0.595159287566 0.74247778165} O14 67 0.0 1 14 {} {0.600692836934 0.659979817157 0.741356478879} Si42 68 0.0 1 8 {} {0.833826245422 0.176937521428 0.0410708724159} O15 69 0.0 1 1 {} {0.432670709541 0.17338088856 0.101226895991} H13 70 0.0 1 8 {} {0.583710029556 0.178346775858 0.714772756749} O16 71 0.0 1 1 {} {0.68302523197 0.17493391322 0.654718635518} H14 72 0.0 1 7 {} {0.460709853381 0.685914973742 0.638613324728} N 73 0.0 1 1 {} {0.453682208779 0.728034775608 0.64105920653} H16 74 0.0 1 9 {} {0.80292557256 0.674372572972 0.721489227834} F4 75 0.0 1 9 {} {0.362548665919 0.679680457647 0.388719214748} F5 76 0.0 1 9 {} {0.555883346848 0.680588299493 0.876503501485} F3 77 0.0 1 9 {} {0.134298748085 0.668206510184 0.553027215977} F1 78 0.0 1 9 {} {0.432288649703 0.79007668653 0.661159778967} F2 79 0.0 1 9 {} {0.569514234149 0.761755678994 0.530521510358} 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