#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 {} {0.848439842171 0.307302355063 0.063113093644} Si1 1 0.0 1 14 {} {0.848713431205 0.38524372263 0.444905974789} Si2 2 0.0 1 14 {} {0.0984306022329 0.307137214698 0.193167562722} Si3 3 0.0 1 14 {} {0.0984491693387 0.383323023351 0.318135432471} Si4 4 0.0 1 14 {} {0.855892445368 0.540897562813 0.436838712794} Si5 5 0.0 1 14 {} {0.103673071063 0.537489527545 0.307720905063} Si6 6 0.0 1 14 {} {0.850502319705 0.458904964989 0.064607651637} Si7 7 0.0 1 14 {} {0.84527199203 0.229368026534 0.442152832867} Si8 8 0.0 1 14 {} {0.0996702927876 0.458436252403 0.19312798996} Si9 9 0.0 1 14 {} {0.0951678524076 0.228641631818 0.314023837867} Si10 10 0.0 1 8 {} {0.354456575367 0.593168488319 0.522110811154} O1 11 0.0 1 14 {} {0.33110592359 0.657203406679 0.528751354034} Si11 12 0.0 1 8 {} {0.11071592009 0.589771638892 0.211881670096} O2 13 0.0 1 1 {} {0.0110325884289 0.593441289449 0.15132182589} H1 14 0.0 1 8 {} {0.334229475738 0.178044099296 0.541148341474} O3 15 0.0 1 1 {} {0.933344985575 0.174772118415 0.601513160237} H2 16 0.0 1 8 {} {0.0839883340479 0.17691542033 0.216068448225} O4 17 0.0 1 1 {} {0.18290932016 0.17335743794 0.155869833739} H3 18 0.0 1 14 {} {0.849005817442 0.307751927411 0.564633987934} Si12 19 0.0 1 14 {} {0.849477976513 0.38386337744 0.939089338963} Si13 20 0.0 1 14 {} {0.099046996245 0.308353459726 0.693794145864} Si14 21 0.0 1 14 {} {0.0994581621196 0.386522747729 0.812340360074} Si15 22 0.0 1 14 {} {0.851243492983 0.537825407114 0.949145749632} Si16 23 0.0 1 14 {} {0.102378388627 0.541532874094 0.824936616588} Si17 24 0.0 1 14 {} {0.849960221359 0.463944357752 0.562919990442} Si18 25 0.0 1 14 {} {0.84522531833 0.228592431864 0.942605037483} Si19 26 0.0 1 14 {} {0.0990444703962 0.46538548298 0.69363576323} Si20 27 0.0 1 14 {} {0.0953434920614 0.229513178362 0.814770019149} Si21 28 0.0 1 8 {} {0.363204558803 0.588792794707 0.0478233447864} O5 29 0.0 1 1 {} {0.262322889666 0.593869340431 0.106470704912} H4 30 0.0 1 8 {} {0.125092094085 0.598806831686 0.754165951688} O6 31 0.0 1 1 {} {0.0261408044738 0.622202827296 0.736256889808} H5 32 0.0 1 8 {} {0.334095815618 0.176887693923 0.0410272484176} O7 33 0.0 1 1 {} {0.933050353358 0.173447508224 0.101143506263} H6 34 0.0 1 8 {} {0.0842911650515 0.178608704459 0.714536720466} O8 35 0.0 1 1 {} {0.18366688441 0.175055759465 0.654535012911} H7 36 0.0 1 14 {} {0.348389475976 0.307084232922 0.0630926537615} Si22 37 0.0 1 14 {} {0.34897512983 0.385367702215 0.444328424895} Si23 38 0.0 1 14 {} {0.598362296927 0.307313989584 0.193229775128} Si24 39 0.0 1 14 {} {0.599299713465 0.383632509278 0.317891057894} Si25 40 0.0 1 14 {} {0.354116942569 0.540122183839 0.434701317426} Si26 41 0.0 1 14 {} {0.606007419375 0.538409203401 0.309129782774} Si27 42 0.0 1 14 {} {0.350842797021 0.457996968736 0.0671730027171} Si28 43 0.0 1 14 {} {0.3452301919 0.229343203897 0.442000369805} Si29 44 0.0 1 14 {} {0.601938918345 0.459064628666 0.193759230467} Si30 45 0.0 1 14 {} {0.595261086776 0.228727084781 0.314021851105} Si31 46 0.0 1 8 {} {0.853846540619 0.593302016994 0.527705815862} O9 47 0.0 1 1 {} {0.937759618285 0.622421777224 0.517902763818} H8 48 0.0 1 8 {} {0.614465463688 0.590163560549 0.212178822182} O10 49 0.0 1 1 {} {0.513210259597 0.594109971159 0.153003953103} H9 50 0.0 1 8 {} {0.834111596946 0.178080753988 0.541334393525} O11 51 0.0 1 1 {} {0.433477379703 0.174559439444 0.601228598638} H10 52 0.0 1 8 {} {0.58426831058 0.17701140873 0.216017896005} O12 53 0.0 1 1 {} {0.683145591574 0.173516758304 0.155747311078} H11 54 0.0 1 14 {} {0.348671513639 0.307802940067 0.564258037219} Si32 55 0.0 1 14 {} {0.349232869995 0.383654218105 0.939411951453} Si33 56 0.0 1 14 {} {0.598686028453 0.307917922655 0.693410614726} Si34 57 0.0 1 14 {} {0.599260065033 0.385773677939 0.812535407324} Si35 58 0.0 1 14 {} {0.350902676086 0.536573168462 0.952275333883} Si36 59 0.0 1 14 {} {0.598758067957 0.539691643443 0.824202937468} Si37 60 0.0 1 14 {} {0.348980649516 0.463913308376 0.563281015814} Si38 61 0.0 1 14 {} {0.34518893055 0.228480332501 0.942706398847} Si39 62 0.0 1 14 {} {0.599584710038 0.464129428194 0.692745059106} Si40 63 0.0 1 14 {} {0.595142086983 0.22927061356 0.814756422179} Si41 64 0.0 1 8 {} {0.861735085085 0.590107155133 0.0448875325682} O13 65 0.0 1 1 {} {0.761560776619 0.594344572559 0.104819401435} H12 66 0.0 1 8 {} {0.593559418586 0.594391445667 0.74332290968} O14 67 0.0 1 14 {} {0.59651412869 0.658732461059 0.743182459367} Si42 68 0.0 1 8 {} {0.834160627163 0.176980461503 0.040896191655} O15 69 0.0 1 1 {} {0.433044572415 0.173444969567 0.101254792227} H13 70 0.0 1 8 {} {0.584234326562 0.178286092616 0.714740276475} O16 71 0.0 1 1 {} {0.683545670135 0.174907745148 0.654623770724} H14 72 0.0 1 7 {} {0.447654576143 0.683353447183 0.644695851744} N 73 0.0 1 1 {} {0.438279224865 0.725514458672 0.650057683647} H16 74 0.0 1 9 {} {0.796915973734 0.674842467035 0.717889466236} F4 75 0.0 1 9 {} {0.366978029236 0.679610573928 0.39326282099} F5 76 0.0 1 9 {} {0.560639415415 0.679361856073 0.880359478877} F3 77 0.0 1 9 {} {0.123637432334 0.667967930081 0.546052712152} F1 78 0.0 1 9 {} {0.457388834599 0.786246081818 0.636256100925} F2 79 0.0 1 9 {} {0.581035095127 0.764533067247 0.513629894255} 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