#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 {} {0.848322682639 0.3070685806 0.0629442757096} Si1 1 0.0 1 14 {} {0.848745441171 0.385122728545 0.444646424782} Si2 2 0.0 1 14 {} {0.0982122978563 0.30698774302 0.193085037246} Si3 3 0.0 1 14 {} {0.0985049853037 0.383133989045 0.317862561566} Si4 4 0.0 1 14 {} {0.856048854125 0.541400149022 0.436267518299} Si5 5 0.0 1 14 {} {0.103286978067 0.537284249083 0.307069328317} Si6 6 0.0 1 14 {} {0.848372924198 0.458305321733 0.0655754984726} Si7 7 0.0 1 14 {} {0.844737869615 0.229232167261 0.44216762499} Si8 8 0.0 1 14 {} {0.0991133891738 0.458274342335 0.192840709014} Si9 9 0.0 1 14 {} {0.0946574886373 0.228539015935 0.313957290529} Si10 10 0.0 1 8 {} {0.354780160314 0.593057979112 0.520813705232} O1 11 0.0 1 14 {} {0.340312516176 0.658416053058 0.525568426599} Si11 12 0.0 1 8 {} {0.111978968205 0.589457575181 0.211549534807} O2 13 0.0 1 1 {} {0.0122035546441 0.593535479828 0.151387459686} H1 14 0.0 1 8 {} {0.333784006201 0.177797529639 0.541212727335} O3 15 0.0 1 1 {} {0.932924064239 0.174747550113 0.601682611601} H2 16 0.0 1 8 {} {0.0835740072891 0.176891557287 0.215980586311} O4 17 0.0 1 1 {} {0.182568714536 0.173328525328 0.155874838396} H3 18 0.0 1 14 {} {0.848510689932 0.307638268298 0.564370604029} Si12 19 0.0 1 14 {} {0.849117911522 0.383604804939 0.939030199908} Si13 20 0.0 1 14 {} {0.0984378515084 0.308082795082 0.693853056061} Si14 21 0.0 1 14 {} {0.0994310162141 0.386175249943 0.812272311257} Si15 22 0.0 1 14 {} {0.84932541755 0.536836926374 0.950170280555} Si16 23 0.0 1 14 {} {0.0984197304688 0.540606967004 0.82366680876} Si17 24 0.0 1 14 {} {0.850140208856 0.464007981977 0.561887342604} Si18 25 0.0 1 14 {} {0.844745336767 0.228467646771 0.942773807994} Si19 26 0.0 1 14 {} {0.0993081261483 0.464466707665 0.692179954481} Si20 27 0.0 1 14 {} {0.0947911439006 0.229384765457 0.814866995719} Si21 28 0.0 1 8 {} {0.361507033272 0.588785541258 0.0462673693415} O5 29 0.0 1 1 {} {0.261910504426 0.593531416983 0.106367813211} H4 30 0.0 1 8 {} {0.121095832732 0.597762323633 0.753683514648} O6 31 0.0 1 1 {} {0.0361528843693 0.625367619806 0.728323397104} H5 32 0.0 1 8 {} {0.333658185803 0.176914688215 0.04111887171} O7 33 0.0 1 1 {} {0.932726545633 0.173435830265 0.101302297769} H6 34 0.0 1 8 {} {0.0838576089133 0.17855619182 0.714605572521} O8 35 0.0 1 1 {} {0.183235376526 0.17500238014 0.654650911243} H7 36 0.0 1 14 {} {0.348191579072 0.307052706543 0.0630199801774} Si22 37 0.0 1 14 {} {0.348996630458 0.384720989234 0.444123912459} Si23 38 0.0 1 14 {} {0.598303669187 0.307080559984 0.192959218743} Si24 39 0.0 1 14 {} {0.599152927313 0.383251523972 0.317705401861} Si25 40 0.0 1 14 {} {0.353571048683 0.53950270247 0.433946381071} Si26 41 0.0 1 14 {} {0.605859034665 0.53850436103 0.308732954743} Si27 42 0.0 1 14 {} {0.350529930756 0.458208693052 0.0665741611279} Si28 43 0.0 1 14 {} {0.344726536169 0.229027092076 0.442070194875} Si29 44 0.0 1 14 {} {0.600345576361 0.459028502988 0.19506536859} Si30 45 0.0 1 14 {} {0.594741338245 0.228610608504 0.313873615167} Si31 46 0.0 1 8 {} {0.851600724716 0.594485471085 0.524521783301} O9 47 0.0 1 1 {} {0.944407084065 0.621268408415 0.523443766795} H8 48 0.0 1 8 {} {0.614663231661 0.589535672894 0.210071638553} O10 49 0.0 1 1 {} {0.51339393782 0.593774802249 0.150937857884} H9 50 0.0 1 8 {} {0.833699393292 0.178085919714 0.541524893183} O11 51 0.0 1 1 {} {0.43287357353 0.174438765599 0.601441001354} H10 52 0.0 1 8 {} {0.583861796818 0.17697271495 0.215857006577} O12 53 0.0 1 1 {} {0.68277363685 0.173422171595 0.15565877499} H11 54 0.0 1 14 {} {0.34821659445 0.307383912937 0.56433023975} Si32 55 0.0 1 14 {} {0.349433164385 0.383628789895 0.93937503784} Si33 56 0.0 1 14 {} {0.598365749142 0.307813875977 0.693515095939} Si34 57 0.0 1 14 {} {0.599262905186 0.385723338492 0.812238567588} Si35 58 0.0 1 14 {} {0.349745418897 0.536652030461 0.951313312722} Si36 59 0.0 1 14 {} {0.598036776341 0.54009683228 0.822422346125} Si37 60 0.0 1 14 {} {0.34990744674 0.463189718468 0.56266653682} Si38 61 0.0 1 14 {} {0.344689464327 0.22845802027 0.942866900474} Si39 62 0.0 1 14 {} {0.600153016085 0.464081253931 0.692226747784} Si40 63 0.0 1 14 {} {0.594684052798 0.229227101201 0.814875060248} Si41 64 0.0 1 8 {} {0.862200526868 0.589349452864 0.0441483772103} O13 65 0.0 1 1 {} {0.762550735728 0.593542886888 0.104816403534} H12 66 0.0 1 8 {} {0.593053159738 0.595125292293 0.742499868522} O14 67 0.0 1 14 {} {0.600508263474 0.659998988559 0.741295042857} Si42 68 0.0 1 8 {} {0.833824949535 0.176940389113 0.0410696188584} O15 69 0.0 1 1 {} {0.432677598279 0.173382017871 0.101227900131} H13 70 0.0 1 8 {} {0.583709500229 0.178348676975 0.714771435084} O16 71 0.0 1 1 {} {0.683033007452 0.174933813589 0.654715865415} H14 72 0.0 1 7 {} {0.460435874274 0.685733288043 0.638656819843} N 73 0.0 1 1 {} {0.453580976784 0.728002612521 0.641126856422} H16 74 0.0 1 9 {} {0.802988104755 0.674387461257 0.721484179094} F4 75 0.0 1 9 {} {0.362631124021 0.679695822148 0.388434479234} F5 76 0.0 1 9 {} {0.555895915936 0.680592491256 0.876633358383} F3 77 0.0 1 9 {} {0.134063933652 0.668202536256 0.553043381317} F1 78 0.0 1 9 {} {0.432609116578 0.789945225571 0.660877732091} F2 79 0.0 1 9 {} {0.569593340702 0.76181817928 0.530214983772} 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