#MD System 2.0 @Title neb0_image05 @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 {} {0.848793860804 0.307565814436 0.0635114723652} Si1 1 0.0 1 14 {} {0.849305819447 0.385174819515 0.444236038292} Si2 2 0.0 1 14 {} {0.0987511867036 0.307363743932 0.192656868273} Si3 3 0.0 1 14 {} {0.0984933799681 0.383603525103 0.318116527377} Si4 4 0.0 1 14 {} {0.854986309765 0.540031736438 0.436585316158} Si5 5 0.0 1 14 {} {0.101486606978 0.536848437395 0.307411502893} Si6 6 0.0 1 14 {} {0.849977969121 0.459335161358 0.0633465431793} Si7 7 0.0 1 14 {} {0.845179523813 0.229622147966 0.442001545833} Si8 8 0.0 1 14 {} {0.0982558058675 0.45850927005 0.191046736472} Si9 9 0.0 1 14 {} {0.0950434244596 0.228909282573 0.314189689149} Si10 10 0.0 1 8 {} {0.346860762984 0.592485978931 0.516059573237} O1 11 0.0 1 14 {} {0.330616058457 0.655675480277 0.516497393765} Si11 12 0.0 1 8 {} {0.110540134671 0.590014481085 0.213054252553} O2 13 0.0 1 1 {} {0.0119720645689 0.593297352243 0.151744890733} H1 14 0.0 1 8 {} {0.334462354718 0.178141304801 0.540858450742} O3 15 0.0 1 1 {} {0.93333343668 0.175129943354 0.601521390936} H2 16 0.0 1 8 {} {0.0841973948495 0.177095775397 0.216173657611} O4 17 0.0 1 1 {} {0.182933468927 0.173729417761 0.155805652423} H3 18 0.0 1 14 {} {0.849261258453 0.307895516232 0.565175213236} Si12 19 0.0 1 14 {} {0.849559136683 0.384043942632 0.938223577608} Si13 20 0.0 1 14 {} {0.0993219037421 0.308735167085 0.693459062565} Si14 21 0.0 1 14 {} {0.0995462878513 0.386806538408 0.812830297458} Si15 22 0.0 1 14 {} {0.851764670308 0.538425224629 0.947050438395} Si16 23 0.0 1 14 {} {0.105558178156 0.541357250156 0.826113566199} Si17 24 0.0 1 14 {} {0.850322694321 0.463560302658 0.563965259694} Si18 25 0.0 1 14 {} {0.845145044524 0.228896494718 0.942446434777} Si19 26 0.0 1 14 {} {0.0989394004981 0.465425384156 0.693098696792} Si20 27 0.0 1 14 {} {0.0953653388453 0.229882197744 0.815014333152} Si21 28 0.0 1 8 {} {0.363896052406 0.589203726467 0.0471049185707} O5 29 0.0 1 1 {} {0.263225272819 0.593672444905 0.106056110208} H4 30 0.0 1 8 {} {0.133655932031 0.599540583684 0.757265572831} O6 31 0.0 1 1 {} {0.0324139924811 0.620011484564 0.731907202348} H5 32 0.0 1 8 {} {0.334338266026 0.177139952582 0.0409121777469} O7 33 0.0 1 1 {} {0.933060913419 0.173827961966 0.101146263635} H6 34 0.0 1 8 {} {0.084590796718 0.178887622965 0.71471739664} O8 35 0.0 1 1 {} {0.183697598488 0.175491260224 0.65450719705} H7 36 0.0 1 14 {} {0.348795998362 0.307426646543 0.0635298906938} Si22 37 0.0 1 14 {} {0.348947562144 0.385157934827 0.443330248557} Si23 38 0.0 1 14 {} {0.59879521785 0.307631309094 0.192865524108} Si24 39 0.0 1 14 {} {0.599839088155 0.383911388296 0.318470322238} Si25 40 0.0 1 14 {} {0.353018772986 0.537021512819 0.430684734471} Si26 41 0.0 1 14 {} {0.607069223974 0.53775107575 0.308827105501} Si27 42 0.0 1 14 {} {0.351250300553 0.458015594784 0.068206130154} Si28 43 0.0 1 14 {} {0.345032969833 0.229583789394 0.441849836133} Si29 44 0.0 1 14 {} {0.602817650149 0.458952260837 0.192033235425} Si30 45 0.0 1 14 {} {0.595096261932 0.229089064543 0.314289586068} Si31 46 0.0 1 8 {} {0.851340261725 0.593316300753 0.528380163201} O9 47 0.0 1 1 {} {0.937389028964 0.62105298361 0.515824793408} H8 48 0.0 1 8 {} {0.612894737748 0.590569849977 0.213781601653} O10 49 0.0 1 1 {} {0.513092759411 0.59341972194 0.15289400357} H9 50 0.0 1 8 {} {0.834361938506 0.178216805173 0.541130724026} O11 51 0.0 1 1 {} {0.433438629683 0.174898218481 0.601160153926} H10 52 0.0 1 8 {} {0.584455898022 0.177310413764 0.216163140957} O12 53 0.0 1 1 {} {0.68316914652 0.17398390299 0.155765740252} H11 54 0.0 1 14 {} {0.348694441097 0.307914153858 0.564548581996} Si32 55 0.0 1 14 {} {0.349269446337 0.38392543468 0.93878169571} Si33 56 0.0 1 14 {} {0.598676892051 0.308307650985 0.692840180951} Si34 57 0.0 1 14 {} {0.599274944421 0.38610893057 0.813071174166} Si35 58 0.0 1 14 {} {0.352852904857 0.536324144257 0.952459630238} Si36 59 0.0 1 14 {} {0.598946166701 0.539230031312 0.824180355754} Si37 60 0.0 1 14 {} {0.348565503762 0.462828869708 0.564999313059} Si38 61 0.0 1 14 {} {0.345182292203 0.228832444552 0.942604996724} Si39 62 0.0 1 14 {} {0.599753241314 0.464212649314 0.691598735617} Si40 63 0.0 1 14 {} {0.595035639179 0.229639784713 0.814930847774} Si41 64 0.0 1 8 {} {0.860233865753 0.590621147247 0.0439268268692} O13 65 0.0 1 1 {} {0.761453869678 0.593895716427 0.105189260977} H12 66 0.0 1 8 {} {0.590694517784 0.595586735315 0.741622435219} O14 67 0.0 1 14 {} {0.606985667493 0.658772287911 0.736437155258} Si42 68 0.0 1 8 {} {0.834334524033 0.177190485726 0.0407530572318} O15 69 0.0 1 1 {} {0.433068114275 0.173860133094 0.101314972476} H13 70 0.0 1 8 {} {0.58445007423 0.178564875933 0.71488232168} O16 71 0.0 1 1 {} {0.683529194047 0.175308757225 0.654597081783} H14 72 0.0 1 7 {} {0.485960174392 0.685703369356 0.613302060239} N 73 0.0 1 1 {} {0.416269935119 0.756316180762 0.667309170314} H16 74 0.0 1 9 {} {0.804261092463 0.676841297323 0.717639118427} F4 75 0.0 1 9 {} {0.3478191445 0.680286246429 0.382698243798} F5 76 0.0 1 9 {} {0.538583820656 0.685328798788 0.860139568856} F3 77 0.0 1 9 {} {0.138216608188 0.671166294268 0.561760637305} F1 78 0.0 1 9 {} {0.410522381056 0.793367024803 0.684877895786} F2 79 0.0 1 9 {} {0.613750327934 0.71165536224 0.532787824506} 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