#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 WyckoffPosition int -1 @end @data 6 {} {0.37078345228 0.581645902192 0.411574790496} C1 1 1 14 {} {0.348326699444 0.554751901281 0.521979813633} Si1 2 1 14 {} {0.432537750203 0.589185912698 0.407255056669} Si2 3 1 8 {} {0.361596891385 0.611482903197 0.597970772363} O1 4 1 8 {} {0.293418774139 0.552765395523 0.514924391525} O2 5 1 6 {} {0.367334552299 0.469503606142 0.556611302602} C2 6 1 6 {} {0.458952867413 0.504649695716 0.392621393531} C3 7 1 8 {} {0.446046660035 0.625517051204 0.505509672499} O3 8 1 8 {} {0.444763740449 0.642818409702 0.325324272449} O4 9 1 14 {} {0.243087336029 0.557603177681 0.556140371779} Si3 10 1 7 {} {0.223425004194 0.47936996595 0.590297552239} N1 11 1 14 {} {0.201045976171 0.47110335266 0.697809332618} Si4 12 1 14 {} {0.224021105676 0.411692722532 0.515206690817} Si5 13 1 7 {} {0.217928310484 0.432693976027 0.404660063024} N2 14 1 7 {} {0.150589093419 0.510110538869 0.718098632461} N3 15 1 1 {} {0.3616460019 0.5456327112 0.35903239138} H1 16 1 1 {} {0.355800463895 0.630311381169 0.394198860281} H2 17 1 1 {} {0.39144382243 0.629742070289 0.588086084602} H3 18 1 1 {} {0.358736301524 0.430876980705 0.507237966322} H4 19 1 1 {} {0.35160028801 0.455708077104 0.620292423521} H5 20 1 1 {} {0.403653583856 0.468250252349 0.566628634625} H6 21 1 1 {} {0.49487051479 0.512354242213 0.390436523205} H7 22 1 1 {} {0.449190026947 0.481246193784 0.329407832836} H8 23 1 1 {} {0.451523579154 0.469733287275 0.447061606153} H9 24 1 1 {} {0.476860433655 0.639646428789 0.512489054399} H10 25 1 1 {} {0.475740704388 0.643113199682 0.306351587613} H11 26 1 1 {} {0.241410517214 0.601726978633 0.636345202277} H12 27 1 1 {} {0.214229034462 0.585605088596 0.484535098235} H13 28 1 1 {} {0.19434235035 0.398070773876 0.712087888687} H14 29 1 1 {} {0.232575791346 0.500296616436 0.763798354263} H15 30 1 1 {} {0.267246450019 0.375123391115 0.521052769115} H16 31 1 1 {} {0.186399788459 0.367150175079 0.541805939857} H17 32 1 1 {} {0.244926189044 0.447574920184 0.368817976209} H18 33 1 1 {} {0.189955740381 0.456376091624 0.382676106591} H19 34 1 1 {} {0.149817025972 0.559745035383 0.732858104751} H20 35 1 1 {} {0.122582530331 0.496377897076 0.684389004459} H21 36 1 6 {} {0.622640006041 0.61187544453 0.351266563344} C4 37 1 14 {} {0.57848584328 0.551150347074 0.389273574493} Si6 38 1 14 {} {0.614624855779 0.700273165176 0.388327570808} Si7 39 1 8 {} {0.531815310549 0.59593500862 0.384290991031} O5 40 1 8 {} {0.576968658904 0.486180038297 0.322214698681} O6 41 1 6 {} {0.587804247269 0.51690149796 0.503977897064} C5 42 1 6 {} {0.631568583179 0.716959700902 0.505828252882} C6 43 1 8 {} {0.55976158242 0.717220089156 0.376795305747} O7 44 1 8 {} {0.641198161436 0.75005261359 0.318015380049} O8 45 1 14 {} {0.570342961669 0.424756446347 0.250015307471} Si8 46 1 7 {} {0.582765888575 0.34629123471 0.292415260769} N4 47 1 14 {} {0.539105418999 0.289734519867 0.315744821885} Si9 48 1 14 {} {0.637308618512 0.320678757223 0.317458575823} Si10 49 1 7 {} {0.678337683977 0.366862887762 0.266247929941} N5 50 1 7 {} {0.515319517681 0.246590004976 0.228635383945} N6 51 1 1 {} {0.656725802383 0.594760766354 0.368523601469} H22 52 1 1 {} {0.619436589022 0.612100035555 0.277623110309} H23 53 1 1 {} {0.538204309787 0.645183291367 0.379715832614} H24 54 1 1 {} {0.619607051641 0.489312242657 0.509193254321} H25 55 1 1 {} {0.560948451975 0.481999498367 0.522754500185} H26 56 1 1 {} {0.588111896429 0.557347429419 0.553815358773} H27 57 1 1 {} {0.626234755107 0.769718604232 0.523761937006} H28 58 1 1 {} {0.667105434476 0.705446063406 0.514972069321} H29 59 1 1 {} {0.612518043875 0.686275175508 0.553350633146} H30 60 1 1 {} {0.548211952847 0.762495956388 0.373493894345} H31 61 1 1 {} {0.659153067002 0.785388959035 0.34331404126} H32 62 1 1 {} {0.522713279937 0.422251340247 0.22075125304} H33 63 1 1 {} {0.599477132027 0.4401141548 0.171856152291} H34 64 1 1 {} {0.559098271247 0.238902182441 0.376877174968} H35 65 1 1 {} {0.502281989061 0.327739104924 0.358990023185} H36 66 1 1 {} {0.646638163136 0.326712178432 0.414945669885} H37 67 1 1 {} {0.641180126516 0.249225598817 0.28927170179} H38 68 1 1 {} {0.691782305161 0.40754699816 0.296561941978} H39 69 1 1 {} {0.681364285672 0.369748159512 0.198876138469} H40 70 1 1 {} {0.492999691484 0.269601091627 0.187908429584} H41 71 1 1 {} {0.532673044834 0.211049370789 0.194913832691} H42 72 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} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 20 5 0 0 19 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 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 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 20 {0 0 0} 0 28 5 19 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {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