#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 {} {0.849050288372 0.307498700949 0.0632143559452} Si1 1 0.0 1 14 {} {0.849882205358 0.385165577336 0.444628845263} Si2 2 0.0 1 14 {} {0.0990865245045 0.307328383733 0.192672577459} Si3 3 0.0 1 14 {} {0.0992790200493 0.383470942024 0.317674890377} Si4 4 0.0 1 14 {} {0.856708464021 0.541127538588 0.436694384452} Si5 5 0.0 1 14 {} {0.105342533809 0.538503594901 0.308985374654} Si6 6 0.0 1 14 {} {0.850992553043 0.458674111592 0.065835934888} Si7 7 0.0 1 14 {} {0.845308105355 0.22961133555 0.442010192816} Si8 8 0.0 1 14 {} {0.100762042099 0.458947221664 0.194051347779} Si9 9 0.0 1 14 {} {0.0951939140772 0.228870217009 0.313986189757} Si10 10 0.0 1 8 {} {0.375289452788 0.596281918036 0.514818573865} O1 11 0.0 1 14 {} {0.342143272279 0.661889292271 0.515769604388} Si11 12 0.0 1 8 {} {0.111293839376 0.5895639919 0.210519560194} O2 13 0.0 1 1 {} {0.0115486357268 0.593234760508 0.150141163591} H1 14 0.0 1 8 {} {0.334562952776 0.178182084188 0.54072982695} O3 15 0.0 1 1 {} {0.933411849749 0.175115291645 0.60129971491} H2 16 0.0 1 8 {} {0.0842107490889 0.177147834187 0.216035665169} O4 17 0.0 1 1 {} {0.183100292862 0.173707853293 0.155779732238} H3 18 0.0 1 14 {} {0.849354374181 0.307908534982 0.565082128532} Si12 19 0.0 1 14 {} {0.849680368671 0.384003593433 0.939038931567} Si13 20 0.0 1 14 {} {0.0994329499902 0.308890300906 0.693790297848} Si14 21 0.0 1 14 {} {0.100175894623 0.387464546267 0.812639984445} Si15 22 0.0 1 14 {} {0.849253103756 0.537390541679 0.94873377708} Si16 23 0.0 1 14 {} {0.102050771356 0.543006585104 0.826119321119} Si17 24 0.0 1 14 {} {0.851064356296 0.463829805026 0.562914585928} Si18 25 0.0 1 14 {} {0.845320788339 0.228884402362 0.942520469664} Si19 26 0.0 1 14 {} {0.100106812666 0.466821754753 0.692634808634} Si20 27 0.0 1 14 {} {0.0955421289713 0.22988501598 0.815148464937} Si21 28 0.0 1 8 {} {0.364638856836 0.588616886058 0.0467702471663} O5 29 0.0 1 1 {} {0.264028662088 0.593898816187 0.10532434424} H4 30 0.0 1 8 {} {0.143096011511 0.603430088975 0.771303365767} O6 31 0.0 1 1 {} {0.0599017205318 0.620073570269 0.715921529827} H5 32 0.0 1 8 {} {0.334318187838 0.177299060199 0.0409849936322} O7 33 0.0 1 1 {} {0.933321778644 0.173820743258 0.101081572193} H6 34 0.0 1 8 {} {0.0844846124887 0.179220062486 0.71423041193} O8 35 0.0 1 1 {} {0.183916168044 0.175606996014 0.654314155512} H7 36 0.0 1 14 {} {0.349019398866 0.307566119224 0.063153171932} Si22 37 0.0 1 14 {} {0.348898552279 0.386477314117 0.444924950937} Si23 38 0.0 1 14 {} {0.598995060226 0.307543867999 0.192531785705} Si24 39 0.0 1 14 {} {0.599606665374 0.383656145026 0.318231627626} Si25 40 0.0 1 14 {} {0.358132130091 0.540867936309 0.430327538334} Si26 41 0.0 1 14 {} {0.607735282096 0.538651830948 0.308306856324} Si27 42 0.0 1 14 {} {0.351178572835 0.45841550564 0.0677253017076} Si28 43 0.0 1 14 {} {0.345329148082 0.229570977791 0.441757338618} Si29 44 0.0 1 14 {} {0.60212194941 0.459211142093 0.194272569857} Si30 45 0.0 1 14 {} {0.595391072462 0.229161559037 0.314075890144} Si31 46 0.0 1 8 {} {0.862277157711 0.592137753037 0.533130840727} O9 47 0.0 1 1 {} {0.939338858418 0.622008559617 0.518140604499} H8 48 0.0 1 8 {} {0.61448420687 0.59093648762 0.21287425853} O10 49 0.0 1 1 {} {0.513555371813 0.594036378003 0.153347218852} H9 50 0.0 1 8 {} {0.834275287018 0.178263393486 0.541006290867} O11 51 0.0 1 1 {} {0.433674143695 0.174743902461 0.600936285414} H10 52 0.0 1 8 {} {0.584511268407 0.177528676207 0.215904960736} O12 53 0.0 1 1 {} {0.6834230761 0.174056078094 0.15569648385} H11 54 0.0 1 14 {} {0.349006386423 0.308341990092 0.564558122247} Si32 55 0.0 1 14 {} {0.350011803916 0.384236322379 0.939690269688} Si33 56 0.0 1 14 {} {0.59894841879 0.308242348725 0.693473541957} Si34 57 0.0 1 14 {} {0.5994239679 0.386191281665 0.812811951198} Si35 58 0.0 1 14 {} {0.348832286143 0.536514741517 0.951422203776} Si36 59 0.0 1 14 {} {0.597547827987 0.539241246428 0.825677017} Si37 60 0.0 1 14 {} {0.349966301592 0.466139990328 0.562332181886} Si38 61 0.0 1 14 {} {0.345584168669 0.228846744471 0.942620535171} Si39 62 0.0 1 14 {} {0.599997856245 0.46453813243 0.69135755232} Si40 63 0.0 1 14 {} {0.595358950275 0.229534672544 0.814865851825} Si41 64 0.0 1 8 {} {0.860965663912 0.589689373072 0.0445432697565} O13 65 0.0 1 1 {} {0.761606093984 0.594374041504 0.104684109139} H12 66 0.0 1 8 {} {0.59897837737 0.594894262181 0.746009572123} O14 67 0.0 1 14 {} {0.597911515648 0.658938796585 0.745726703172} Si42 68 0.0 1 8 {} {0.834453881583 0.177326371031 0.0408374557416} O15 69 0.0 1 1 {} {0.433208736892 0.173901680144 0.101234348197} H13 70 0.0 1 8 {} {0.584437446998 0.178657556257 0.714562091174} O16 71 0.0 1 1 {} {0.683708027306 0.175288789855 0.654408524882} H14 72 0.0 1 7 {} {0.447457198939 0.689184668531 0.648081290849} N 73 0.0 1 1 {} {0.433173885383 0.75337593328 0.660219305018} H16 74 0.0 1 9 {} {0.791508579296 0.679117766538 0.716395732243} F4 75 0.0 1 9 {} {0.295554196287 0.679827677288 0.375500822774} F5 76 0.0 1 9 {} {0.54853102632 0.680226364292 0.879811875165} F3 77 0.0 1 9 {} {0.137770676255 0.667960581365 0.567705639766} F1 78 0.0 1 9 {} {0.43229916108 0.792618379913 0.662290183964} F2 79 0.0 1 9 {} {0.560998831058 0.688019015671 0.493685856962} 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