#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 {} {0.848604334962 0.307323173677 0.063248070282} Si1 1 0.0 1 14 {} {0.849140795395 0.385164408762 0.444159351423} Si2 2 0.0 1 14 {} {0.0985636310877 0.30713247923 0.192510647314} Si3 3 0.0 1 14 {} {0.0986404905809 0.3833102609 0.318024011587} Si4 4 0.0 1 14 {} {0.856186321972 0.541087519054 0.43610025932} Si5 5 0.0 1 14 {} {0.103125757481 0.537396519891 0.307536612659} Si6 6 0.0 1 14 {} {0.848176033408 0.458598753255 0.0661539057042} Si7 7 0.0 1 14 {} {0.845121140485 0.229493184473 0.441997376361} Si8 8 0.0 1 14 {} {0.0994066278465 0.458461855748 0.191742177581} Si9 9 0.0 1 14 {} {0.0949497655659 0.228731426832 0.314076896698} Si10 10 0.0 1 8 {} {0.355125141627 0.594123028364 0.519108708003} O1 11 0.0 1 14 {} {0.325526791745 0.656267553748 0.520949247098} Si11 12 0.0 1 8 {} {0.11191331392 0.58991034302 0.211365433644} O2 13 0.0 1 1 {} {0.0123774103552 0.593453704007 0.150743122213} H1 14 0.0 1 8 {} {0.334091244222 0.177875676558 0.54096471554} O3 15 0.0 1 1 {} {0.933188140505 0.174964521424 0.601481993473} H2 16 0.0 1 8 {} {0.0837926762576 0.176981532379 0.215939379844} O4 17 0.0 1 1 {} {0.182856490026 0.173550954412 0.155834243107} H3 18 0.0 1 14 {} {0.849014716971 0.307799712997 0.564980710867} Si12 19 0.0 1 14 {} {0.8492270326 0.383913602927 0.938781964653} Si13 20 0.0 1 14 {} {0.0987985639975 0.308408106923 0.693712877177} Si14 21 0.0 1 14 {} {0.0996753799056 0.386593137406 0.813171856555} Si15 22 0.0 1 14 {} {0.849179178047 0.537314222797 0.94830705759} Si16 23 0.0 1 14 {} {0.0998039932316 0.541845150787 0.824264410346} Si17 24 0.0 1 14 {} {0.850429646825 0.464023164006 0.562239212793} Si18 25 0.0 1 14 {} {0.845138012943 0.228705589703 0.942486375178} Si19 26 0.0 1 14 {} {0.0991997184331 0.465324442199 0.691784346119} Si20 27 0.0 1 14 {} {0.0952175047444 0.22965160887 0.815062812748} Si21 28 0.0 1 8 {} {0.363270731328 0.589070929449 0.0464076294867} O5 29 0.0 1 1 {} {0.262749002053 0.593494032721 0.105686237559} H4 30 0.0 1 8 {} {0.133491109541 0.60106373229 0.761328507564} O6 31 0.0 1 1 {} {0.0449639435213 0.622959209141 0.724749547422} H5 32 0.0 1 8 {} {0.333926351329 0.1770706422 0.0410960836085} O7 33 0.0 1 1 {} {0.933040903704 0.173671298863 0.101189906268} H6 34 0.0 1 8 {} {0.0841324410334 0.178826838831 0.714370175946} O8 35 0.0 1 1 {} {0.183607948413 0.175335038969 0.654478427288} H7 36 0.0 1 14 {} {0.348691935456 0.307312695128 0.0633073580761} Si22 37 0.0 1 14 {} {0.349290331769 0.384939902034 0.443494746183} Si23 38 0.0 1 14 {} {0.598691176668 0.307416251185 0.192570523441} Si24 39 0.0 1 14 {} {0.599705230413 0.38343898101 0.318412187991} Si25 40 0.0 1 14 {} {0.354071061386 0.539326504894 0.432629866228} Si26 41 0.0 1 14 {} {0.606509298975 0.538915700162 0.30983377727} Si27 42 0.0 1 14 {} {0.351461671872 0.458572950235 0.0675556148995} Si28 43 0.0 1 14 {} {0.345014756682 0.229265144727 0.441816364053} Si29 44 0.0 1 14 {} {0.600770249671 0.459312561095 0.19486498435} Si30 45 0.0 1 14 {} {0.595117026472 0.228981193915 0.314107036482} Si31 46 0.0 1 8 {} {0.854480982257 0.593996878024 0.529297086325} O9 47 0.0 1 1 {} {0.944366609839 0.620956030452 0.522728926479} H8 48 0.0 1 8 {} {0.61388562611 0.590566953353 0.21168492443} O10 49 0.0 1 1 {} {0.513637584039 0.593821252678 0.151295426822} H9 50 0.0 1 8 {} {0.833917125369 0.178175759219 0.541329485796} O11 51 0.0 1 1 {} {0.433226282592 0.174592406733 0.601173539067} H10 52 0.0 1 8 {} {0.58413571774 0.177251280629 0.215894743104} O12 53 0.0 1 1 {} {0.683107743092 0.173778123687 0.155720310525} H11 54 0.0 1 14 {} {0.348466161132 0.307578151866 0.564865023028} Si32 55 0.0 1 14 {} {0.349907180712 0.384042852082 0.939338947401} Si33 56 0.0 1 14 {} {0.598730749795 0.308064087664 0.693075180523} Si34 57 0.0 1 14 {} {0.599477382779 0.38607504251 0.812632099632} Si35 58 0.0 1 14 {} {0.348323382101 0.536682320615 0.950437744496} Si36 59 0.0 1 14 {} {0.596745795896 0.539798022179 0.824158011011} Si37 60 0.0 1 14 {} {0.349979628452 0.463580187888 0.56346154437} Si38 61 0.0 1 14 {} {0.345128951924 0.228701795575 0.942636597003} Si39 62 0.0 1 14 {} {0.600638572733 0.46455856294 0.691459768708} Si40 63 0.0 1 14 {} {0.595065953939 0.229438567391 0.814993443722} Si41 64 0.0 1 8 {} {0.861970163938 0.589769690475 0.044218252332} O13 65 0.0 1 1 {} {0.762745997704 0.593760396707 0.104707768581} H12 66 0.0 1 8 {} {0.591477591796 0.59654751666 0.742567395811} O14 67 0.0 1 14 {} {0.607338692961 0.659470888087 0.739861713319} Si42 68 0.0 1 8 {} {0.834042110972 0.177105911627 0.0410140552913} O15 69 0.0 1 1 {} {0.432985082949 0.173688118582 0.101217755609} H13 70 0.0 1 8 {} {0.583966393962 0.178504708646 0.714602207582} O16 71 0.0 1 1 {} {0.683369820795 0.175172844678 0.654574893354} H14 72 0.0 1 7 {} {0.479248775961 0.687023952934 0.617250184244} N 73 0.0 1 1 {} {0.434084876251 0.751162134812 0.654011251939} H16 74 0.0 1 9 {} {0.803662048036 0.677534905421 0.720018021118} F4 75 0.0 1 9 {} {0.341793289034 0.677839309211 0.384491072541} F5 76 0.0 1 9 {} {0.549097482063 0.681217448315 0.870995635194} F3 77 0.0 1 9 {} {0.129527294563 0.669068197903 0.563819349178} F1 78 0.0 1 9 {} {0.42203659675 0.788677064203 0.675109768813} F2 79 0.0 1 9 {} {0.580499972835 0.719853708025 0.524982432697} 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