#MD System 2.0 @Title neb0_image08 @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 {} {0.849344520672 0.307844941871 0.0625648251368} Si1 1 0.0 1 14 {} {0.849945789206 0.385295344831 0.444421011404} Si2 2 0.0 1 14 {} {0.0992662698342 0.307562232645 0.192484358428} Si3 3 0.0 1 14 {} {0.0993767076006 0.383577823078 0.317534076514} Si4 4 0.0 1 14 {} {0.859768403139 0.542722164366 0.438443488302} Si5 5 0.0 1 14 {} {0.102909008428 0.537687474227 0.305445598661} Si6 6 0.0 1 14 {} {0.847173094427 0.459084917804 0.0665178963876} Si7 7 0.0 1 14 {} {0.845684048491 0.229907203587 0.442219474316} Si8 8 0.0 1 14 {} {0.0992932081385 0.458663464884 0.192168403931} Si9 9 0.0 1 14 {} {0.0954211696444 0.229137004775 0.313689593522} Si10 10 0.0 1 8 {} {0.343897616274 0.593700354412 0.521249687305} O1 11 0.0 1 14 {} {0.345974415594 0.660950258656 0.518580939173} Si11 12 0.0 1 8 {} {0.112925539669 0.589473305162 0.20920034742} O2 13 0.0 1 1 {} {0.0130998720136 0.594140511863 0.149580926998} H1 14 0.0 1 8 {} {0.334612358028 0.178041073736 0.540434018771} O3 15 0.0 1 1 {} {0.933542572931 0.175253152903 0.601099966173} H2 16 0.0 1 8 {} {0.0843214221453 0.177393087426 0.215952861055} O4 17 0.0 1 1 {} {0.18333380184 0.173870204744 0.155824630947} H3 18 0.0 1 14 {} {0.849886258489 0.308158484283 0.565018350509} Si12 19 0.0 1 14 {} {0.849341643177 0.384575201044 0.939082244598} Si13 20 0.0 1 14 {} {0.0995600364694 0.309374689356 0.694546115258} Si14 21 0.0 1 14 {} {0.100456714544 0.38787122943 0.8129906718} Si15 22 0.0 1 14 {} {0.851467015328 0.537366969429 0.950379391632} Si16 23 0.0 1 14 {} {0.102767421333 0.542513761695 0.822054101244} Si17 24 0.0 1 14 {} {0.851063372562 0.464385288861 0.560293363694} Si18 25 0.0 1 14 {} {0.84568018592 0.229154074909 0.942566539116} Si19 26 0.0 1 14 {} {0.100762084206 0.465907172274 0.690321442563} Si20 27 0.0 1 14 {} {0.095843666667 0.230317263421 0.81491827586} Si21 28 0.0 1 8 {} {0.363270144941 0.589383740885 0.0465219667238} O5 29 0.0 1 1 {} {0.263192415022 0.593985992031 0.106702083797} H4 30 0.0 1 8 {} {0.112323850484 0.602900479099 0.779387172174} O6 31 0.0 1 1 {} {0.0932569857518 0.626403804216 0.706790161381} H5 32 0.0 1 8 {} {0.334587970574 0.177657946304 0.0410551164335} O7 33 0.0 1 1 {} {0.933614035333 0.174050095717 0.101062716082} H6 34 0.0 1 8 {} {0.0847537149361 0.179734346551 0.713985886488} O8 35 0.0 1 1 {} {0.184280933361 0.17594242586 0.654202056186} H7 36 0.0 1 14 {} {0.349367214358 0.307866369421 0.0627054502346} Si22 37 0.0 1 14 {} {0.349964861524 0.384736184832 0.44343458584} Si23 38 0.0 1 14 {} {0.599411778789 0.308075396981 0.19244774657} Si24 39 0.0 1 14 {} {0.600481517993 0.384105631082 0.317906057115} Si25 40 0.0 1 14 {} {0.350983673482 0.540706828405 0.434655860002} Si26 41 0.0 1 14 {} {0.607065621893 0.541281444815 0.311857934305} Si27 42 0.0 1 14 {} {0.353649302247 0.458930759991 0.0686149561151} Si28 43 0.0 1 14 {} {0.345329421548 0.229561407376 0.442064283846} Si29 44 0.0 1 14 {} {0.601906374997 0.461026816924 0.199139037773} Si30 45 0.0 1 14 {} {0.595597006952 0.229587424707 0.313933750355} Si31 46 0.0 1 8 {} {0.86823120985 0.591799463251 0.537043095199} O9 47 0.0 1 1 {} {0.950876308315 0.621408666969 0.531556812324} H8 48 0.0 1 8 {} {0.615789219815 0.591212495362 0.210389143084} O10 49 0.0 1 1 {} {0.515026789745 0.5951665006 0.15086814834} H9 50 0.0 1 8 {} {0.834375677684 0.178500847759 0.540870414506} O11 51 0.0 1 1 {} {0.433619891691 0.174706031883 0.600727472552} H10 52 0.0 1 8 {} {0.584779466673 0.177931524483 0.215917118128} O12 53 0.0 1 1 {} {0.683743227125 0.174327204915 0.155758883984} H11 54 0.0 1 14 {} {0.348881051049 0.307799364705 0.564808369011} Si32 55 0.0 1 14 {} {0.351131636562 0.38471329119 0.939716685056} Si33 56 0.0 1 14 {} {0.599289624321 0.308593110734 0.693459790021} Si34 57 0.0 1 14 {} {0.600129460606 0.386697601956 0.81209057481} Si35 58 0.0 1 14 {} {0.353211332161 0.537079999868 0.952665698559} Si36 59 0.0 1 14 {} {0.600714074947 0.540811454368 0.820813619915} Si37 60 0.0 1 14 {} {0.351417745682 0.463354397214 0.561177574547} Si38 61 0.0 1 14 {} {0.345830504363 0.229170676068 0.942717777966} Si39 62 0.0 1 14 {} {0.60136920564 0.464886007444 0.690985078412} Si40 63 0.0 1 14 {} {0.595659866616 0.229905189833 0.814666067835} Si41 64 0.0 1 8 {} {0.861846472325 0.590018865522 0.0435653696295} O13 65 0.0 1 1 {} {0.76341128196 0.594153726619 0.105199045694} H12 66 0.0 1 8 {} {0.595226998725 0.596090595568 0.742875012471} O14 67 0.0 1 14 {} {0.597649888502 0.661293935508 0.744641079995} Si42 68 0.0 1 8 {} {0.834625469296 0.177645786458 0.040914094554} O15 69 0.0 1 1 {} {0.433613449931 0.174173599664 0.101189229123} H13 70 0.0 1 8 {} {0.584501104379 0.179086428837 0.714388210075} O16 71 0.0 1 1 {} {0.683847717449 0.175595625038 0.65435165345} H14 72 0.0 1 7 {} {0.446167080399 0.687557618256 0.647649824682} N 73 0.0 1 1 {} {0.442389357212 0.750642181895 0.648071600928} H16 74 0.0 1 9 {} {0.794241514223 0.679797995699 0.720531919716} F4 75 0.0 1 9 {} {0.274606521611 0.680176718942 0.385665339299} F5 76 0.0 1 9 {} {0.543159238579 0.680498018216 0.879734344126} F3 77 0.0 1 9 {} {0.136069189727 0.66462572098 0.581551807676} F1 78 0.0 1 9 {} {0.435239946604 0.789224405834 0.661667410214} F2 79 0.0 1 9 {} {0.565616123374 0.675923498814 0.469973667219} 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 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 1 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 1 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 3 1 {-1 0 0} 0 6 20 27 {0 0 0} 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 33 68 {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 70 71 {0 0 0} 0 83 16 9 {0 0 0} 0 84 2 9 {0 0 0} 0 85 69 32 {0 0 0} 0 86 39 37 {0 0 0} 0 87 22 64 {0 0 1} 0 88 27 34 {0 0 0} 0 89 20 18 {-1 0 0} 0 90 55 36 {0 0 1} 0 91 43 14 {0 0 0} 0 92 46 4 {0 0 0} 0 93 23 30 {0 0 0} 0 94 60 37 {0 0 0} 0 95 12 5 {0 0 0} 0 96 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