#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 {} {0.848485858422 0.307212399443 0.0630479223713} Si1 1 0.0 1 14 {} {0.848917562325 0.385280727754 0.444898421504} Si2 2 0.0 1 14 {} {0.0984610839538 0.307096945873 0.193160458986} Si3 3 0.0 1 14 {} {0.0986607915002 0.383367307885 0.318123378398} Si4 4 0.0 1 14 {} {0.85614908273 0.540954203856 0.436845483268} Si5 5 0.0 1 14 {} {0.103282483141 0.537496105473 0.307398956301} Si6 6 0.0 1 14 {} {0.850728356133 0.458982306558 0.064529032573} Si7 7 0.0 1 14 {} {0.845227588779 0.229346551642 0.442136939045} Si8 8 0.0 1 14 {} {0.0994626260803 0.458484342821 0.193076675699} Si9 9 0.0 1 14 {} {0.095117443919 0.228594440884 0.31404204613} Si10 10 0.0 1 8 {} {0.353280640516 0.593004210563 0.523082743797} O1 11 0.0 1 14 {} {0.332406158072 0.657310915134 0.528433830775} Si11 12 0.0 1 8 {} {0.110927668911 0.589770440148 0.211916829358} O2 13 0.0 1 1 {} {0.0112229963563 0.59333688192 0.151347045414} H1 14 0.0 1 8 {} {0.334261273647 0.178010188445 0.541089959056} O3 15 0.0 1 1 {} {0.933251029668 0.174776655995 0.601504817102} H2 16 0.0 1 8 {} {0.0839457464392 0.176895692372 0.216065637754} O4 17 0.0 1 1 {} {0.182825329802 0.173351332073 0.155848902102} H3 18 0.0 1 14 {} {0.84894737255 0.307720781937 0.564645705458} Si12 19 0.0 1 14 {} {0.849479287956 0.383945085283 0.93903852905} Si13 20 0.0 1 14 {} {0.0991069322944 0.308380003173 0.693871527994} Si14 21 0.0 1 14 {} {0.0994083258156 0.386630939121 0.812204085372} Si15 22 0.0 1 14 {} {0.850976466785 0.537847213403 0.94908772916} Si16 23 0.0 1 14 {} {0.102236558889 0.541661713674 0.824724975127} Si17 24 0.0 1 14 {} {0.85008096003 0.463957487049 0.562972453386} Si18 25 0.0 1 14 {} {0.845166109805 0.228504173224 0.942555833274} Si19 26 0.0 1 14 {} {0.0991282126479 0.465313552472 0.693341170177} Si20 27 0.0 1 14 {} {0.0953006310351 0.22946996089 0.81478294182} Si21 28 0.0 1 8 {} {0.36293530497 0.588785496958 0.0474761719679} O5 29 0.0 1 1 {} {0.262311591063 0.593877037824 0.106436587684} H4 30 0.0 1 8 {} {0.125601242356 0.598814181803 0.753730160395} O6 31 0.0 1 1 {} {0.0272379951153 0.622039088155 0.736301595883} H5 32 0.0 1 8 {} {0.334098353563 0.176906598859 0.0410190419285} O7 33 0.0 1 1 {} {0.933014799544 0.173443210248 0.10117026313} H6 34 0.0 1 8 {} {0.0843081410647 0.178573174715 0.714582605341} O8 35 0.0 1 1 {} {0.183572230961 0.17502575521 0.654525105791} H7 36 0.0 1 14 {} {0.348293580604 0.30705422424 0.0630251382908} Si22 37 0.0 1 14 {} {0.348743828014 0.385463531839 0.444634420841} Si23 38 0.0 1 14 {} {0.598286635977 0.30717824917 0.193171387317} Si24 39 0.0 1 14 {} {0.599005751173 0.383644835421 0.317911695555} Si25 40 0.0 1 14 {} {0.353843503761 0.539880222076 0.434151208554} Si26 41 0.0 1 14 {} {0.606620365163 0.538301352665 0.308631490483} Si27 42 0.0 1 14 {} {0.350493015393 0.457998881384 0.0672331453538} Si28 43 0.0 1 14 {} {0.345154911529 0.22931122203 0.442019008489} Si29 44 0.0 1 14 {} {0.601995703185 0.459014496286 0.193248439903} Si30 45 0.0 1 14 {} {0.595148477794 0.228645906794 0.314094960667} Si31 46 0.0 1 8 {} {0.854016290469 0.593458632635 0.527365493302} O9 47 0.0 1 1 {} {0.938337420759 0.622266357364 0.518224665064} H8 48 0.0 1 8 {} {0.614367306685 0.590183733867 0.212041555756} O10 49 0.0 1 1 {} {0.51308026217 0.594023560067 0.152797789132} H9 50 0.0 1 8 {} {0.834076225018 0.178088836673 0.541319357905} O11 51 0.0 1 1 {} {0.433380299643 0.174523512913 0.601246241707} H10 52 0.0 1 8 {} {0.584237743156 0.176987569974 0.215992163206} O12 53 0.0 1 1 {} {0.683109055671 0.173516017757 0.155723683984} H11 54 0.0 1 14 {} {0.348674218493 0.30783103651 0.564150653486} Si32 55 0.0 1 14 {} {0.349168831634 0.383695045982 0.939348093883} Si33 56 0.0 1 14 {} {0.598563903579 0.30791571021 0.693471619842} Si34 57 0.0 1 14 {} {0.599186930545 0.385794932486 0.81243041499} Si35 58 0.0 1 14 {} {0.350891021588 0.536497207745 0.952426200995} Si36 59 0.0 1 14 {} {0.598548324315 0.539270081881 0.824700435581} Si37 60 0.0 1 14 {} {0.348823386207 0.463787830912 0.563356913655} Si38 61 0.0 1 14 {} {0.345161467178 0.22845349392 0.942649844594} Si39 62 0.0 1 14 {} {0.599294480625 0.464062089831 0.692546317599} Si40 63 0.0 1 14 {} {0.595081788644 0.229277461592 0.814730170646} Si41 64 0.0 1 8 {} {0.861770437631 0.590021465138 0.0448689165153} O13 65 0.0 1 1 {} {0.761505592852 0.594246715378 0.104783648616} H12 66 0.0 1 8 {} {0.593814011948 0.594348876323 0.743561329305} O14 67 0.0 1 14 {} {0.596828543488 0.659002942508 0.743145197076} Si42 68 0.0 1 8 {} {0.834112851241 0.17694389792 0.0409324028975} O15 69 0.0 1 1 {} {0.432976222588 0.173442534879 0.101270697022} H13 70 0.0 1 8 {} {0.584225838103 0.178301024774 0.714781345376} O16 71 0.0 1 1 {} {0.683447300257 0.174908553335 0.654626904671} H14 72 0.0 1 7 {} {0.449261010126 0.683810519828 0.644209820759} N 73 0.0 1 1 {} {0.437769087873 0.72574453151 0.650920107532} H16 74 0.0 1 9 {} {0.797793730227 0.674867452498 0.71815434652} F4 75 0.0 1 9 {} {0.365383742385 0.679982289286 0.39300351093} F5 76 0.0 1 9 {} {0.560251119486 0.679324843267 0.880453664773} F3 77 0.0 1 9 {} {0.124876185066 0.667694744696 0.546051541434} F1 78 0.0 1 9 {} {0.454924764117 0.78589612811 0.639132212974} F2 79 0.0 1 9 {} {0.581993165935 0.765604658822 0.512697654318} 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