#MD System 2.0 @Title neb0_image04 @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 {} {0.21035301219 0.527761402105 0.318274625347} C1 1 1 14 {} {0.264237228014 0.490705747491 0.276446198944} Si1 2 1 14 {} {0.16365261187 0.536223066753 0.237306356636} Si2 3 1 8 {} {0.276784295956 0.523598057545 0.178496097147} O1 4 1 8 {} {0.304181857662 0.511105105065 0.347384386881} O2 5 1 6 {} {0.262276378632 0.397534629572 0.269533620664} C2 6 1 6 {} {0.132091590417 0.456530922071 0.219605036954} C3 7 1 8 {} {0.188120380503 0.562095231224 0.143012949147} O3 8 1 8 {} {0.128308867737 0.597289388686 0.264407573059} O4 9 1 14 {} {0.355655621172 0.540029710477 0.35259253056} Si3 10 1 7 {} {0.39033273601 0.477009495212 0.394263977943} N1 11 1 14 {} {0.444590102115 0.475313386416 0.352761924228} Si4 12 1 14 {} {0.3700439514 0.422803682092 0.477077211556} Si5 13 1 7 {} {0.340900873526 0.460631028412 0.562441061009} N2 14 1 7 {} {0.465928954372 0.555487100939 0.357912105394} N3 15 1 1 {} {0.198716837944 0.499154999738 0.376728894958} H1 16 1 1 {} {0.21820469956 0.578604556839 0.342405055025} H2 17 1 1 {} {0.251311184689 0.543982958306 0.147857983268} H3 18 1 1 {} {0.257106786526 0.374507442326 0.335346628325} H4 19 1 1 {} {0.293997900924 0.378496551485 0.242767576435} H5 20 1 1 {} {0.235503749997 0.380502322337 0.224793652957} H6 21 1 1 {} {0.105583462765 0.462770992751 0.169540647434} H7 22 1 1 {} {0.1165406666 0.438829456185 0.281788725268} H8 23 1 1 {} {0.154471013414 0.416692448468 0.195986188458} H9 24 1 1 {} {0.169600504555 0.585215244472 0.0998322837243} H10 25 1 1 {} {0.0999008052689 0.584902050798 0.290396612141} H11 26 1 1 {} {0.372111160321 0.559989288166 0.262757417121} H12 27 1 1 {} {0.35457990786 0.598869714714 0.413709692012} H13 28 1 1 {} {0.468905009467 0.423313679756 0.405727077467} H14 29 1 1 {} {0.446900598527 0.457696447866 0.25607223877} H15 30 1 1 {} {0.338614823928 0.373683165098 0.436691840619} H16 31 1 1 {} {0.409573824821 0.388591867359 0.516193147626} H17 32 1 1 {} {0.309300003142 0.477110278328 0.551401555462} H18 33 1 1 {} {0.356909607503 0.491077838183 0.606391423052} H19 34 1 1 {} {0.489623894943 0.569796607482 0.313171887869} H20 35 1 1 {} {0.471544064502 0.577477580186 0.418055202712} H21 36 1 6 {} {0.650075334029 0.638208318411 0.494326621668} C4 37 1 14 {} {0.610695864258 0.574359965852 0.446826644486} Si6 38 1 14 {} {0.647536812432 0.72480490147 0.449432633161} Si7 39 1 8 {} {0.607799108438 0.58264202763 0.337112731259} O5 40 1 8 {} {0.630265591777 0.499550907673 0.470780593821} O6 41 1 6 {} {0.553888695011 0.580512820489 0.496827068363} C5 42 1 6 {} {0.599927632291 0.775228080927 0.494171386212} C6 43 1 8 {} {0.643361630708 0.713898818374 0.33895619571} O7 44 1 8 {} {0.695109155502 0.766218343397 0.465133755663} O8 45 1 14 {} {0.64073552775 0.421609973323 0.44295011417} Si8 46 1 7 {} {0.595354945832 0.369483257137 0.460934968514} N4 47 1 14 {} {0.575806212229 0.320274027679 0.372430503107} Si9 48 1 14 {} {0.570685907504 0.366093568983 0.567540936149} Si10 49 1 7 {} {0.605888304723 0.384859040648 0.654389204043} N5 50 1 7 {} {0.610809089256 0.2575331843 0.335052594919} N6 51 1 1 {} {0.64579108648 0.639605206943 0.567384857575} H22 52 1 1 {} {0.684130179226 0.619477294602 0.481893410813} H23 53 1 1 {} {0.620338069002 0.624777417977 0.315001293865} H24 54 1 1 {} {0.553806452664 0.570798251155 0.568932387541} H25 55 1 1 {} {0.532444778298 0.542919338325 0.464897504687} H26 56 1 1 {} {0.539098879883 0.630217309395 0.485088974683} H27 57 1 1 {} {0.599176565424 0.825641931585 0.464791133282} H28 58 1 1 {} {0.601988552243 0.780742927422 0.567118992793} H29 59 1 1 {} {0.567843295694 0.751091421932 0.479039475448} H30 60 1 1 {} {0.65125643015 0.751354089211 0.30100858201} H31 61 1 1 {} {0.69547820912 0.801174604058 0.509806609332} H32 62 1 1 {} {0.652237203859 0.416611030021 0.346176001891} H33 63 1 1 {} {0.67991818953 0.401257325721 0.497728048454} H34 64 1 1 {} {0.534034935743 0.288261592913 0.405254438209} H35 65 1 1 {} {0.567620891545 0.363083685349 0.292836128864} H36 66 1 1 {} {0.533449856263 0.415438493664 0.573818392821} H37 67 1 1 {} {0.553533797123 0.296614604377 0.579138497179} H38 68 1 1 {} {0.612473523701 0.433479326235 0.669288032896} H39 69 1 1 {} {0.632933607653 0.355824079161 0.667569410086} H40 70 1 1 {} {0.63540948136 0.268580154334 0.290788801359} H41 71 1 1 {} {0.620315073271 0.219692170621 0.376249825262} 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 19 5 0 0 20 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 19 {0 0 0} 0 28 5 20 {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