#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 {} {0.849331796238 0.307852011523 0.0634778337125} Si1 1 0.0 1 14 {} {0.84967718013 0.385110303919 0.444393343505} Si2 2 0.0 1 14 {} {0.0993587148874 0.307616553807 0.192672700184} Si3 3 0.0 1 14 {} {0.0991216791862 0.383625156265 0.318789688209} Si4 4 0.0 1 14 {} {0.856588936485 0.53965549111 0.436932213627} Si5 5 0.0 1 14 {} {0.102284524896 0.537000285579 0.307229172209} Si6 6 0.0 1 14 {} {0.851193027009 0.459290522171 0.0637113446599} Si7 7 0.0 1 14 {} {0.84546821564 0.229834067169 0.442036529223} Si8 8 0.0 1 14 {} {0.0991039567856 0.458440955934 0.191703167388} Si9 9 0.0 1 14 {} {0.0953294401597 0.229206083471 0.314177693258} Si10 10 0.0 1 8 {} {0.346341231768 0.593717007867 0.514231323201} O1 11 0.0 1 14 {} {0.319433551703 0.656037513265 0.522010715312} Si11 12 0.0 1 8 {} {0.110046011908 0.590029367548 0.212371462602} O2 13 0.0 1 1 {} {0.0114601961622 0.593347616708 0.15105297333} H1 14 0.0 1 8 {} {0.334766581415 0.178468271802 0.540752376965} O3 15 0.0 1 1 {} {0.933588493885 0.175307944876 0.601321736566} H2 16 0.0 1 8 {} {0.0844958697795 0.177376760125 0.21619569643} O4 17 0.0 1 1 {} {0.183242075378 0.1739550224 0.155870722262} H3 18 0.0 1 14 {} {0.849715986701 0.307994766379 0.565453957926} Si12 19 0.0 1 14 {} {0.850342152931 0.384228839435 0.937879827967} Si13 20 0.0 1 14 {} {0.0997622487622 0.309236738739 0.69363346117} Si14 21 0.0 1 14 {} {0.100048207827 0.387455076194 0.812449589768} Si15 22 0.0 1 14 {} {0.852381992468 0.538443718258 0.947667841756} Si16 23 0.0 1 14 {} {0.10781126295 0.541462779705 0.828387850129} Si17 24 0.0 1 14 {} {0.8509871143 0.463378729977 0.564175736497} Si18 25 0.0 1 14 {} {0.845561351102 0.229169931256 0.942436333382} Si19 26 0.0 1 14 {} {0.0996991024557 0.466217196109 0.693468107762} Si20 27 0.0 1 14 {} {0.0957664579259 0.23033212816 0.814991774957} Si21 28 0.0 1 8 {} {0.365693887897 0.58914936925 0.0480775214831} O5 29 0.0 1 1 {} {0.263955240423 0.5939325932 0.105901909434} H4 30 0.0 1 8 {} {0.140282171096 0.599824425936 0.762224241856} O6 31 0.0 1 1 {} {0.0425937004658 0.618855353238 0.725260000642} H5 32 0.0 1 8 {} {0.334597743741 0.177393609893 0.0409405434793} O7 33 0.0 1 1 {} {0.933454356251 0.174049764139 0.10105345732} H6 34 0.0 1 8 {} {0.0848298729163 0.179432955263 0.714450215638} O8 35 0.0 1 1 {} {0.18408355388 0.175900668137 0.654410309515} H7 36 0.0 1 14 {} {0.349255282886 0.307609494686 0.0634779803245} Si22 37 0.0 1 14 {} {0.349511478242 0.38539686924 0.443634626622} Si23 38 0.0 1 14 {} {0.599193005899 0.30800392516 0.192855130237} Si24 39 0.0 1 14 {} {0.600269985618 0.384140462572 0.318904023896} Si25 40 0.0 1 14 {} {0.35368914393 0.538077595825 0.430384411298} Si26 41 0.0 1 14 {} {0.608195544697 0.538174877927 0.309187414234} Si27 42 0.0 1 14 {} {0.352328219016 0.45780412047 0.0693512118478} Si28 43 0.0 1 14 {} {0.345261353357 0.22995436986 0.441853579772} Si29 44 0.0 1 14 {} {0.604225849067 0.459080896185 0.192516051073} Si30 45 0.0 1 14 {} {0.595381637337 0.229435884162 0.314230194951} Si31 46 0.0 1 8 {} {0.858552774557 0.591358070079 0.533583188912} O9 47 0.0 1 1 {} {0.930508389054 0.622031999065 0.513986776523} H8 48 0.0 1 8 {} {0.61373064761 0.590975534061 0.213960000795} O10 49 0.0 1 1 {} {0.513493435346 0.593829103396 0.153271809977} H9 50 0.0 1 8 {} {0.834611401397 0.178332697357 0.540929204396} O11 51 0.0 1 1 {} {0.433842990314 0.175089080288 0.600909054476} H10 52 0.0 1 8 {} {0.584800628593 0.177660671898 0.216055649673} O12 53 0.0 1 1 {} {0.683561440335 0.174284370256 0.155712698316} H11 54 0.0 1 14 {} {0.348917794024 0.308205923328 0.564731393044} Si32 55 0.0 1 14 {} {0.349421901515 0.384080681199 0.938782331221} Si33 56 0.0 1 14 {} {0.598905009791 0.30841490271 0.692850320415} Si34 57 0.0 1 14 {} {0.599533488824 0.386151403132 0.813262888318} Si35 58 0.0 1 14 {} {0.355322238238 0.536037177175 0.953818335048} Si36 59 0.0 1 14 {} {0.600376394688 0.539234594858 0.82438285565} Si37 60 0.0 1 14 {} {0.348958249655 0.463406975083 0.564706536467} Si38 61 0.0 1 14 {} {0.345576132854 0.229060487769 0.942576577304} Si39 62 0.0 1 14 {} {0.600106886688 0.464215611571 0.691546471921} Si40 63 0.0 1 14 {} {0.595405167878 0.229808421377 0.814913296036} Si41 64 0.0 1 8 {} {0.859885974093 0.590757663709 0.0443725503223} O13 65 0.0 1 1 {} {0.760833359959 0.594244740217 0.105450600916} H12 66 0.0 1 8 {} {0.591454380949 0.595908189207 0.742849811562} O14 67 0.0 1 14 {} {0.59966590926 0.658731714188 0.738536945679} Si42 68 0.0 1 8 {} {0.834710138481 0.17744463389 0.040704033211} O15 69 0.0 1 1 {} {0.433395716028 0.174114385295 0.101282776498} H13 70 0.0 1 8 {} {0.584809491943 0.178768093 0.714736965955} O16 71 0.0 1 1 {} {0.68391805252 0.175490571892 0.654490677975} H14 72 0.0 1 7 {} {0.481247771005 0.685990904987 0.613971940671} N 73 0.0 1 1 {} {0.42909767799 0.756571656647 0.657016745596} H16 74 0.0 1 9 {} {0.794780069177 0.678670009851 0.718049492144} F4 75 0.0 1 9 {} {0.323052378983 0.682476865067 0.389646777747} F5 76 0.0 1 9 {} {0.525948827662 0.684310513009 0.861971142229} F3 77 0.0 1 9 {} {0.12874314275 0.66883944036 0.574724436116} F1 78 0.0 1 9 {} {0.42542996724 0.793376435997 0.669094914976} F2 79 0.0 1 9 {} {0.613735497589 0.696552670057 0.519184080775} 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