#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 {} {0.849297354997 0.307780425889 0.0632912820189} Si1 1 0.0 1 14 {} {0.849729862225 0.385170988795 0.444456130011} Si2 2 0.0 1 14 {} {0.0993250172131 0.307606674186 0.192678782832} Si3 3 0.0 1 14 {} {0.0992531924466 0.383635930164 0.318505715417} Si4 4 0.0 1 14 {} {0.856503517485 0.539865532305 0.437099863654} Si5 5 0.0 1 14 {} {0.101902511958 0.537162367649 0.307054995128} Si6 6 0.0 1 14 {} {0.851005566567 0.45918024069 0.0642579836109} Si7 7 0.0 1 14 {} {0.845415890609 0.229822155776 0.442077909545} Si8 8 0.0 1 14 {} {0.0992651827855 0.458525752077 0.19216170611} Si9 9 0.0 1 14 {} {0.0952969828695 0.229146090776 0.314116632747} Si10 10 0.0 1 8 {} {0.348696974137 0.593237030034 0.515909684586} O1 11 0.0 1 14 {} {0.319049585143 0.655912997119 0.521965053834} Si11 12 0.0 1 8 {} {0.110453027606 0.590122208636 0.21223803465} O2 13 0.0 1 1 {} {0.0117248485639 0.593233424425 0.150782949952} H1 14 0.0 1 8 {} {0.334759476286 0.178348223233 0.540651964093} O3 15 0.0 1 1 {} {0.933534881196 0.175293278811 0.601332709151} H2 16 0.0 1 8 {} {0.0844277699869 0.177289163024 0.216203340132} O4 17 0.0 1 1 {} {0.183196800566 0.173914992468 0.15582424171} H3 18 0.0 1 14 {} {0.849620992066 0.308029109622 0.565293326006} Si12 19 0.0 1 14 {} {0.850166615792 0.384249087574 0.938266712817} Si13 20 0.0 1 14 {} {0.0996869821454 0.309240445031 0.693842465696} Si14 21 0.0 1 14 {} {0.100103000083 0.387590685284 0.812298712284} Si15 22 0.0 1 14 {} {0.85192862352 0.538315279201 0.94766250848} Si16 23 0.0 1 14 {} {0.106830602514 0.541852776946 0.827980205197} Si17 24 0.0 1 14 {} {0.851083207551 0.463437256864 0.563743677941} Si18 25 0.0 1 14 {} {0.845473983532 0.229100842725 0.942461517119} Si19 26 0.0 1 14 {} {0.0997936434892 0.466420728869 0.693214408125} Si20 27 0.0 1 14 {} {0.0956919237225 0.230253320576 0.814961757034} Si21 28 0.0 1 8 {} {0.365256494109 0.589148336678 0.0474397117336} O5 29 0.0 1 1 {} {0.263926617684 0.593894571438 0.105781656734} H4 30 0.0 1 8 {} {0.141918691549 0.600640862967 0.763789233416} O6 31 0.0 1 1 {} {0.0446761009017 0.619043901051 0.724151521577} H5 32 0.0 1 8 {} {0.334547595898 0.177360119707 0.0409138801398} O7 33 0.0 1 1 {} {0.933432026831 0.174022316883 0.101087784151} H6 34 0.0 1 8 {} {0.0847752240453 0.179335380934 0.714463815927} O8 35 0.0 1 1 {} {0.184039020083 0.175845324067 0.654365144615} H7 36 0.0 1 14 {} {0.349183798076 0.307638800133 0.063273094406} Si22 37 0.0 1 14 {} {0.349295784989 0.385570681564 0.444054640599} Si23 38 0.0 1 14 {} {0.599125221927 0.307951904899 0.192833893851} Si24 39 0.0 1 14 {} {0.60000881789 0.384103807987 0.318709943524} Si25 40 0.0 1 14 {} {0.354159188134 0.538065015421 0.430377375534} Si26 41 0.0 1 14 {} {0.608876161264 0.538264807932 0.308674924272} Si27 42 0.0 1 14 {} {0.351986254187 0.457945356926 0.069038454881} Si28 43 0.0 1 14 {} {0.34525783299 0.229896098383 0.441920037708} Si29 44 0.0 1 14 {} {0.60363051473 0.459150265933 0.192851886874} Si30 45 0.0 1 14 {} {0.595347818975 0.229380447184 0.314201513412} Si31 46 0.0 1 8 {} {0.858330349802 0.591708016985 0.533465964892} O9 47 0.0 1 1 {} {0.933218842606 0.621698577071 0.515465732107} H8 48 0.0 1 8 {} {0.613597398876 0.591158098948 0.213859520454} O10 49 0.0 1 1 {} {0.513418295675 0.593790311236 0.15294704337} H9 50 0.0 1 8 {} {0.834543313177 0.178303450092 0.540897357926} O11 51 0.0 1 1 {} {0.433773296234 0.175013908664 0.600933564904} H10 52 0.0 1 8 {} {0.584748530794 0.177601226549 0.216064953369} O12 53 0.0 1 1 {} {0.683547064919 0.174257072876 0.155682210097} H11 54 0.0 1 14 {} {0.348907873565 0.308287596986 0.564548869125} Si32 55 0.0 1 14 {} {0.349518683397 0.384160985328 0.939146572876} Si33 56 0.0 1 14 {} {0.598884061345 0.308428232707 0.69306402071} Si34 57 0.0 1 14 {} {0.59940063949 0.386220574533 0.812913428049} Si35 58 0.0 1 14 {} {0.353681519624 0.536050742241 0.953505095095} Si36 59 0.0 1 14 {} {0.59931620284 0.539334846522 0.824141626635} Si37 60 0.0 1 14 {} {0.349024636859 0.463348500968 0.564415968138} Si38 61 0.0 1 14 {} {0.345546874736 0.229047036834 0.942613094279} Si39 62 0.0 1 14 {} {0.600098999332 0.46418749219 0.691381366687} Si40 63 0.0 1 14 {} {0.595363071435 0.229787304437 0.814831598709} Si41 64 0.0 1 8 {} {0.860094150422 0.590589589597 0.0442642461077} O13 65 0.0 1 1 {} {0.761070558402 0.594221669385 0.105396076265} H12 66 0.0 1 8 {} {0.592327409536 0.59561626029 0.742724227136} O14 67 0.0 1 14 {} {0.599830205347 0.658836952806 0.738332319144} Si42 68 0.0 1 8 {} {0.834628467095 0.177382666428 0.0407197256955} O15 69 0.0 1 1 {} {0.433358813606 0.174089899856 0.10130157537} H13 70 0.0 1 8 {} {0.584725150344 0.178726507502 0.714752711061} O16 71 0.0 1 1 {} {0.683850852077 0.175480402173 0.654454467423} H14 72 0.0 1 7 {} {0.478304741581 0.686086256304 0.615246569365} N 73 0.0 1 1 {} {0.429168133071 0.756040762583 0.657455381914} H16 74 0.0 1 9 {} {0.794012472759 0.679054290568 0.716632817826} F4 75 0.0 1 9 {} {0.319581219332 0.681932237925 0.389370095735} F5 76 0.0 1 9 {} {0.529744147359 0.683951766391 0.862774267635} F3 77 0.0 1 9 {} {0.12831152448 0.668889150104 0.574102922691} F1 78 0.0 1 9 {} {0.426823761696 0.792849662185 0.668286176687} F2 79 0.0 1 9 {} {0.612630272854 0.697307217213 0.520296934067} 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