#MD System 2.0 @Title neb0_image07 @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 {} {0.849136116968 0.30773050532 0.0626442290922} Si1 1 0.0 1 14 {} {0.84974155825 0.385309330115 0.444338999558} Si2 2 0.0 1 14 {} {0.0990448977622 0.30748645341 0.192467000768} Si3 3 0.0 1 14 {} {0.0993204096854 0.383473359988 0.31770263875} Si4 4 0.0 1 14 {} {0.85900731177 0.542221780768 0.437644193308} Si5 5 0.0 1 14 {} {0.102969002054 0.537519506858 0.305829429867} Si6 6 0.0 1 14 {} {0.84733647681 0.458971591497 0.0664061773139} Si7 7 0.0 1 14 {} {0.845502153262 0.22982113579 0.442115964331} Si8 8 0.0 1 14 {} {0.0992368738765 0.458546843667 0.192113508206} Si9 9 0.0 1 14 {} {0.0953061122852 0.229066981846 0.31384915647} Si10 10 0.0 1 8 {} {0.332847602563 0.591352529228 0.527684473434} O1 11 0.0 1 14 {} {0.341767430273 0.656451831526 0.522104226525} Si11 12 0.0 1 8 {} {0.112895597241 0.589697345231 0.209426455447} O2 13 0.0 1 1 {} {0.0127672825092 0.594093983057 0.149533506807} H1 14 0.0 1 8 {} {0.334450989043 0.177992165933 0.540566240824} O3 15 0.0 1 1 {} {0.933433581763 0.175177977819 0.601195007813} H2 16 0.0 1 8 {} {0.0842084316014 0.177330977999 0.215967727255} O4 17 0.0 1 1 {} {0.183191806211 0.173799013203 0.155827193803} H3 18 0.0 1 14 {} {0.849680115126 0.308114559948 0.564967515623} Si12 19 0.0 1 14 {} {0.849346756869 0.384415646894 0.93893100645} Si13 20 0.0 1 14 {} {0.0993470119898 0.309191532921 0.694397207071} Si14 21 0.0 1 14 {} {0.100336863607 0.387706998996 0.812932045732} Si15 22 0.0 1 14 {} {0.852110179182 0.537351268542 0.949864216931} Si16 23 0.0 1 14 {} {0.102403980653 0.540836492523 0.822882932646} Si17 24 0.0 1 14 {} {0.85113651846 0.464322891618 0.560792971937} Si18 25 0.0 1 14 {} {0.845503269498 0.22905792084 0.942507552339} Si19 26 0.0 1 14 {} {0.100732063323 0.466016666831 0.69086127937} Si20 27 0.0 1 14 {} {0.0956424716312 0.230185287791 0.815014062738} Si21 28 0.0 1 8 {} {0.363051900742 0.589502573467 0.0467058856205} O5 29 0.0 1 1 {} {0.262819913567 0.593941150743 0.106842072352} H4 30 0.0 1 8 {} {0.112849641666 0.600778748852 0.775857995585} O6 31 0.0 1 1 {} {0.0829664388889 0.628329112945 0.708675960286} H5 32 0.0 1 8 {} {0.334451421955 0.177557573322 0.0410668451111} O7 33 0.0 1 1 {} {0.933449939297 0.173976688792 0.101117585758} H6 34 0.0 1 8 {} {0.0846495494518 0.179561492721 0.714101829387} O8 35 0.0 1 1 {} {0.184104302354 0.175817374902 0.654252595523} H7 36 0.0 1 14 {} {0.349166708452 0.307751937689 0.0627861230291} Si22 37 0.0 1 14 {} {0.349920624011 0.384687036501 0.443567250241} Si23 38 0.0 1 14 {} {0.599230198198 0.307921188243 0.192425812635} Si24 39 0.0 1 14 {} {0.600242181441 0.384004753364 0.317805079552} Si25 40 0.0 1 14 {} {0.350691060276 0.538994039867 0.433674161262} Si26 41 0.0 1 14 {} {0.606279745145 0.541510239546 0.31274913392} Si27 42 0.0 1 14 {} {0.353164057861 0.458738599744 0.0683406961943} Si28 43 0.0 1 14 {} {0.345208674719 0.229485809571 0.441992752674} Si29 44 0.0 1 14 {} {0.601531335956 0.461007117112 0.198830438267} Si30 45 0.0 1 14 {} {0.595404161979 0.229449666392 0.314003475593} Si31 46 0.0 1 8 {} {0.865944981361 0.592494609846 0.535481369499} O9 47 0.0 1 1 {} {0.950921500618 0.621468478392 0.532113261223} H8 48 0.0 1 8 {} {0.616964588159 0.590829829992 0.208614676497} O10 49 0.0 1 1 {} {0.514570314776 0.595064098174 0.150363047899} H9 50 0.0 1 8 {} {0.834244788415 0.178449195234 0.54100201422} O11 51 0.0 1 1 {} {0.433454831157 0.174666225516 0.600857821635} H10 52 0.0 1 8 {} {0.584614731805 0.177790680569 0.215889534375} O12 53 0.0 1 1 {} {0.683587907089 0.174200718064 0.155743043578} H11 54 0.0 1 14 {} {0.348745034531 0.307715689068 0.564819135972} Si32 55 0.0 1 14 {} {0.350884971985 0.384519197235 0.939467035935} Si33 56 0.0 1 14 {} {0.599116485734 0.308476322855 0.693361442358} Si34 57 0.0 1 14 {} {0.600033086061 0.386551327869 0.812090043714} Si35 58 0.0 1 14 {} {0.352552387788 0.53696236503 0.952215268771} Si36 59 0.0 1 14 {} {0.600159426793 0.540743547868 0.82079444016} Si37 60 0.0 1 14 {} {0.350989135799 0.463099600916 0.561370177935} Si38 61 0.0 1 14 {} {0.345616688134 0.229080803098 0.942661857243} Si39 62 0.0 1 14 {} {0.601063787135 0.464749529627 0.690833801583} Si40 63 0.0 1 14 {} {0.595489288296 0.229816513048 0.814814409645} Si41 64 0.0 1 8 {} {0.862030910925 0.590095025629 0.0439302786042} O13 65 0.0 1 1 {} {0.763112378044 0.594012700421 0.105359362171} H12 66 0.0 1 8 {} {0.593976214462 0.596816214916 0.742199125428} O14 67 0.0 1 14 {} {0.599543297217 0.660824935262 0.743592785995} Si42 68 0.0 1 8 {} {0.834501942412 0.177544360791 0.040929975236} O15 69 0.0 1 1 {} {0.433477432469 0.174059832503 0.101193494682} H13 70 0.0 1 8 {} {0.584380106942 0.17899324016 0.714452278249} O16 71 0.0 1 1 {} {0.683702933559 0.175520939324 0.654392560323} H14 72 0.0 1 7 {} {0.45624845389 0.687397360104 0.639095022417} N 73 0.0 1 1 {} {0.44386405732 0.749313378826 0.646953479078} H16 74 0.0 1 9 {} {0.794171395835 0.67882424442 0.721305955944} F4 75 0.0 1 9 {} {0.299425804779 0.681530835872 0.387769850102} F5 76 0.0 1 9 {} {0.544702361457 0.680520640116 0.876909755189} F3 77 0.0 1 9 {} {0.141975737118 0.664765847973 0.575136422852} F1 78 0.0 1 9 {} {0.434713096218 0.787569382064 0.661906154196} F2 79 0.0 1 9 {} {0.559677906341 0.693708956994 0.481269834122} 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 79 11 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 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 2 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 11 79 {0 0 0} 0 2 45 38 {0 0 0} 0 3 19 21 {1 0 0} 0 4 73 78 {0 0 0} 0 5 42 58 {0 0 -1} 0 6 3 1 {-1 0 0} 0 7 20 27 {0 0 0} 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