#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 {} {0.849196231261 0.307654911727 0.0638781057013} Si1 1 0.0 1 14 {} {0.850090291141 0.38514227699 0.443510047205} Si2 2 0.0 1 14 {} {0.0991394734894 0.307507608493 0.191809086181} Si3 3 0.0 1 14 {} {0.0992265643519 0.383628366458 0.318736225351} Si4 4 0.0 1 14 {} {0.85605582714 0.540315834097 0.436923548316} Si5 5 0.0 1 14 {} {0.102953086502 0.537748124602 0.307510245553} Si6 6 0.0 1 14 {} {0.850762092718 0.458948705038 0.0661809592048} Si7 7 0.0 1 14 {} {0.845333622277 0.229701050228 0.441899771504} Si8 8 0.0 1 14 {} {0.100176634467 0.458740265991 0.191812089967} Si9 9 0.0 1 14 {} {0.0951716000178 0.228960218464 0.314148737946} Si10 10 0.0 1 8 {} {0.358409783661 0.591833269491 0.519601733766} O1 11 0.0 1 14 {} {0.31442360994 0.654875920169 0.519837125614} Si11 12 0.0 1 8 {} {0.11121879752 0.59022573557 0.212085171368} O2 13 0.0 1 1 {} {0.011942373004 0.592981752609 0.15031730889} H1 14 0.0 1 8 {} {0.334646071374 0.178105505658 0.540507800203} O3 15 0.0 1 1 {} {0.933498178666 0.175296862015 0.601354674315} H2 16 0.0 1 8 {} {0.0842680123639 0.177122749366 0.216252381784} O4 17 0.0 1 1 {} {0.183170548589 0.173884804436 0.155747757633} H3 18 0.0 1 14 {} {0.849401409596 0.30801243842 0.565942713257} Si12 19 0.0 1 14 {} {0.849495287927 0.384118292322 0.937761480483} Si13 20 0.0 1 14 {} {0.0994546636837 0.309046013337 0.693017661061} Si14 21 0.0 1 14 {} {0.100180147891 0.387583877859 0.813928841671} Si15 22 0.0 1 14 {} {0.849656859426 0.537948878329 0.947825423517} Si16 23 0.0 1 14 {} {0.105549852635 0.542842985428 0.826209663086} Si17 24 0.0 1 14 {} {0.851029934267 0.463725594736 0.564620250002} Si18 25 0.0 1 14 {} {0.845288322055 0.228956437226 0.942334148624} Si19 26 0.0 1 14 {} {0.0997684380743 0.466843082117 0.691515764441} Si20 27 0.0 1 14 {} {0.0955428786061 0.229950637888 0.815325065968} Si21 28 0.0 1 8 {} {0.364586530803 0.589126835847 0.0461395350434} O5 29 0.0 1 1 {} {0.264220447741 0.593648105764 0.105366843948} H4 30 0.0 1 8 {} {0.144355700575 0.603596606389 0.765747866072} O6 31 0.0 1 1 {} {0.0511758965017 0.617807671614 0.724054181382} H5 32 0.0 1 8 {} {0.334402975443 0.177272534851 0.0408210490949} O7 33 0.0 1 1 {} {0.933404759748 0.174002154951 0.10114336535} H6 34 0.0 1 8 {} {0.0846184890432 0.179168372153 0.714472274365} O8 35 0.0 1 1 {} {0.184012918297 0.17578235928 0.654260518986} H7 36 0.0 1 14 {} {0.349175128311 0.307701144468 0.0639104974042} Si22 37 0.0 1 14 {} {0.348746164314 0.385950558694 0.443243040897} Si23 38 0.0 1 14 {} {0.599112262545 0.307704476914 0.191825688891} Si24 39 0.0 1 14 {} {0.599826317496 0.383882522436 0.319294627835} Si25 40 0.0 1 14 {} {0.355220863446 0.536865170262 0.428186440271} Si26 41 0.0 1 14 {} {0.608272744763 0.538621574515 0.308349380393} Si27 42 0.0 1 14 {} {0.351237720217 0.458365819068 0.0691686866798} Si28 43 0.0 1 14 {} {0.345264811449 0.229618280229 0.441654441362} Si29 44 0.0 1 14 {} {0.601869003303 0.459361542532 0.192951923356} Si30 45 0.0 1 14 {} {0.59537557057 0.229263984272 0.314253259177} Si31 46 0.0 1 8 {} {0.857321464508 0.592303511318 0.533436720744} O9 47 0.0 1 1 {} {0.937730846406 0.620980537256 0.517450381974} H8 48 0.0 1 8 {} {0.613634696231 0.591572860315 0.213955004012} O10 49 0.0 1 1 {} {0.513399503211 0.593495853739 0.152905304138} H9 50 0.0 1 8 {} {0.834366686528 0.178243678482 0.540815933386} O11 51 0.0 1 1 {} {0.433736347863 0.174916570225 0.600995479978} H10 52 0.0 1 8 {} {0.584621478524 0.177531800792 0.216145801408} O12 53 0.0 1 1 {} {0.683507445817 0.174248129701 0.155667969988} H11 54 0.0 1 14 {} {0.349001193369 0.30827166745 0.565418667724} Si32 55 0.0 1 14 {} {0.350051620684 0.384354104082 0.938619513734} Si33 56 0.0 1 14 {} {0.599070383645 0.308414592058 0.692493770587} Si34 57 0.0 1 14 {} {0.59932731254 0.386257211438 0.814042626531} Si35 58 0.0 1 14 {} {0.349752246252 0.536269377747 0.952256944974} Si36 59 0.0 1 14 {} {0.596604466593 0.538414206105 0.826067325025} Si37 60 0.0 1 14 {} {0.349408096333 0.464600466833 0.564855379449} Si38 61 0.0 1 14 {} {0.345569612545 0.22892335597 0.942459068606} Si39 62 0.0 1 14 {} {0.600214263891 0.46437626259 0.689536286753} Si40 63 0.0 1 14 {} {0.595329039955 0.229643768371 0.815012335975} Si41 64 0.0 1 8 {} {0.860604992897 0.590455233181 0.0441578707572} O13 65 0.0 1 1 {} {0.761627060045 0.594073382622 0.105143647751} H12 66 0.0 1 8 {} {0.593570387693 0.594293248158 0.742597061639} O14 67 0.0 1 14 {} {0.601706696589 0.659085680778 0.738130766667} Si42 68 0.0 1 8 {} {0.834534363938 0.177301343442 0.0406470072966} O15 69 0.0 1 1 {} {0.433290804872 0.174080460167 0.101315049296} H13 70 0.0 1 8 {} {0.584535996937 0.178656534873 0.714795505836} O16 71 0.0 1 1 {} {0.683775141338 0.175483937214 0.654381736232} H14 72 0.0 1 7 {} {0.475751869617 0.688512527817 0.613375863182} N 73 0.0 1 1 {} {0.429006993524 0.753563570904 0.658482257155} H16 74 0.0 1 9 {} {0.796311593964 0.680339863169 0.715035537011} F4 75 0.0 1 9 {} {0.310868793292 0.68143095913 0.384780586448} F5 76 0.0 1 9 {} {0.536642791241 0.683363777859 0.864984513787} F3 77 0.0 1 9 {} {0.124772860716 0.670396784079 0.57428831649} F1 78 0.0 1 9 {} {0.429101573562 0.794112286062 0.667305094996} F2 79 0.0 1 9 {} {0.607365208769 0.697024830318 0.527258563035} 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