#MD System 2.0 @Title neb0_image06 @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 {} {0.849324438395 0.307828300972 0.0634152255578} Si1 1 0.0 1 14 {} {0.849696404852 0.385132435829 0.444407820007} Si2 2 0.0 1 14 {} {0.0993551827653 0.307615129105 0.192675732603} Si3 3 0.0 1 14 {} {0.0991771470756 0.383632816081 0.318709940428} Si4 4 0.0 1 14 {} {0.856533161485 0.539707808611 0.43698379721} Si5 5 0.0 1 14 {} {0.102147382662 0.537054953782 0.307218966373} Si6 6 0.0 1 14 {} {0.851180920979 0.459256602576 0.0638916924179} Si7 7 0.0 1 14 {} {0.845451306004 0.229835700839 0.442042850595} Si8 8 0.0 1 14 {} {0.0991587004075 0.458477644057 0.191874842327} Si9 9 0.0 1 14 {} {0.0953236618895 0.22918923733 0.314167401224} Si10 10 0.0 1 8 {} {0.34754151718 0.593766854832 0.514691695657} O1 11 0.0 1 14 {} {0.319168634093 0.655883851763 0.522091335907} Si11 12 0.0 1 8 {} {0.110171621781 0.590075887542 0.212352535937} O2 13 0.0 1 1 {} {0.0115350499483 0.593292831289 0.150946520455} H1 14 0.0 1 8 {} {0.334758664321 0.178427915284 0.540707077328} O3 15 0.0 1 1 {} {0.933586337166 0.175304985264 0.601334168715} H2 16 0.0 1 8 {} {0.0844609932668 0.177342778361 0.216207458276} O4 17 0.0 1 1 {} {0.183242332605 0.173942146278 0.155843595716} H3 18 0.0 1 14 {} {0.849686610535 0.308007932359 0.565402084305} Si12 19 0.0 1 14 {} {0.850297597768 0.384239669328 0.938011022911} Si13 20 0.0 1 14 {} {0.0997457454573 0.309244175733 0.693708593675} Si14 21 0.0 1 14 {} {0.100062418846 0.387516561802 0.81237893853} Si15 22 0.0 1 14 {} {0.852201341603 0.538403211926 0.947590895958} Si16 23 0.0 1 14 {} {0.107444354154 0.541570709987 0.828409009095} Si17 24 0.0 1 14 {} {0.851031346905 0.463388016071 0.564050412369} Si18 25 0.0 1 14 {} {0.845532734992 0.229147534273 0.94243467891} Si19 26 0.0 1 14 {} {0.0997205317549 0.46631173648 0.693411680903} Si20 27 0.0 1 14 {} {0.0957443386744 0.230310410205 0.814986521944} Si21 28 0.0 1 8 {} {0.365584612321 0.589146132032 0.0478564942594} O5 29 0.0 1 1 {} {0.263961812475 0.593921607259 0.105836291626} H4 30 0.0 1 8 {} {0.141144201004 0.600320960668 0.762491789501} O6 31 0.0 1 1 {} {0.0433366156269 0.61869793727 0.725159363234} H5 32 0.0 1 8 {} {0.334569452804 0.177378978636 0.040922984769} O7 33 0.0 1 1 {} {0.933464003604 0.174040844235 0.101073836296} H6 34 0.0 1 8 {} {0.0848004378441 0.179394543952 0.714462701197} O8 35 0.0 1 1 {} {0.184082843724 0.175882023582 0.654384949299} H7 36 0.0 1 14 {} {0.349231612809 0.307619967603 0.0634061250624} Si22 37 0.0 1 14 {} {0.34942373309 0.385476062245 0.443796877836} Si23 38 0.0 1 14 {} {0.59916743636 0.307988284323 0.192856769216} Si24 39 0.0 1 14 {} {0.60016764167 0.384131763297 0.318858321162} Si25 40 0.0 1 14 {} {0.353948750947 0.538061743096 0.430268674194} Si26 41 0.0 1 14 {} {0.608495395756 0.538148780113 0.308967674694} Si27 42 0.0 1 14 {} {0.352195638117 0.457847647457 0.0692615559978} Si28 43 0.0 1 14 {} {0.345264130915 0.229945953093 0.441871223122} Si29 44 0.0 1 14 {} {0.604053076708 0.459079905083 0.192538356723} Si30 45 0.0 1 14 {} {0.595369866528 0.229420109819 0.314231720675} Si31 46 0.0 1 8 {} {0.858281017297 0.591408602915 0.533598047295} O9 47 0.0 1 1 {} {0.931433743882 0.621968251072 0.514258467253} H8 48 0.0 1 8 {} {0.613630214032 0.591071236569 0.213997029103} O10 49 0.0 1 1 {} {0.513441057953 0.59380084802 0.153180755347} H9 50 0.0 1 8 {} {0.834578296609 0.178318985661 0.540908103032} O11 51 0.0 1 1 {} {0.43383912748 0.175065534415 0.600924358771} H10 52 0.0 1 8 {} {0.584771633376 0.17763615917 0.216066988159} O12 53 0.0 1 1 {} {0.683574493915 0.174277005691 0.155691103606} H11 54 0.0 1 14 {} {0.34891663368 0.308248297962 0.564658333269} Si32 55 0.0 1 14 {} {0.349436893049 0.38411012252 0.938908837223} Si33 56 0.0 1 14 {} {0.598891842539 0.308421127651 0.692924269443} Si34 57 0.0 1 14 {} {0.599479739407 0.386176789529 0.813149877539} Si35 58 0.0 1 14 {} {0.354722750967 0.536027452468 0.953697879742} Si36 59 0.0 1 14 {} {0.599980250145 0.53928122756 0.824325849337} Si37 60 0.0 1 14 {} {0.348957821114 0.463391954444 0.564638145207} Si38 61 0.0 1 14 {} {0.345568344226 0.229060211099 0.942579311416} Si39 62 0.0 1 14 {} {0.600090246657 0.464199891038 0.691486718745} Si40 63 0.0 1 14 {} {0.595391029464 0.229804912437 0.814892440545} Si41 64 0.0 1 8 {} {0.859924741069 0.590706635975 0.0443582694855} O13 65 0.0 1 1 {} {0.76089997105 0.594245017307 0.105421693089} H12 66 0.0 1 8 {} {0.591800596131 0.595747505249 0.742849138364} O14 67 0.0 1 14 {} {0.599885275943 0.658728167028 0.738517947784} Si42 68 0.0 1 8 {} {0.834667362127 0.177418408443 0.0407014700911} O15 69 0.0 1 1 {} {0.433397852553 0.174107358001 0.101300406564} H13 70 0.0 1 8 {} {0.584770023547 0.178748142059 0.714750670371} O16 71 0.0 1 1 {} {0.683913651066 0.175487083582 0.654466642821} H14 72 0.0 1 7 {} {0.481141722706 0.686113930015 0.613471563163} N 73 0.0 1 1 {} {0.428849091123 0.756036791822 0.657276121139} H16 74 0.0 1 9 {} {0.794323854125 0.678840632271 0.717379391166} F4 75 0.0 1 9 {} {0.321600708334 0.682273472355 0.389377887391} F5 76 0.0 1 9 {} {0.527170198583 0.684216248946 0.862103829468} F3 77 0.0 1 9 {} {0.128242604707 0.668898666403 0.574582427544} F1 78 0.0 1 9 {} {0.425865781084 0.793800729397 0.668989055875} F2 79 0.0 1 9 {} {0.613062399273 0.696385788757 0.520626048677} 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 78 73 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 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 73 78 {0 0 0} 0 4 42 58 {0 0 -1} 0 5 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 0 7 22 6 {0 0 1} 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