#MD System 2.0 @Title neb0_image01 @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 {} {0.202497023042 0.529197284065 0.305656112082} C1 1 1 14 {} {0.256428324807 0.492204943927 0.263843072719} Si1 2 1 14 {} {0.155810053786 0.537674450982 0.224658118094} Si2 3 1 8 {} {0.269045806056 0.525356770058 0.166064267531} O1 4 1 8 {} {0.296433880197 0.512420764251 0.334772845157} O2 5 1 6 {} {0.254480295259 0.399025012039 0.256818241602} C2 6 1 6 {} {0.124272680592 0.457969656627 0.206921879774} C3 7 1 8 {} {0.180320030885 0.563456817836 0.130366093506} O3 8 1 8 {} {0.120478882075 0.598822121856 0.251607749002} O4 9 1 14 {} {0.347907895995 0.541405129712 0.339873270094} Si3 10 1 7 {} {0.38266431752 0.478508445125 0.381531341712} N1 11 1 14 {} {0.437098847592 0.47692729556 0.340702908135} Si4 12 1 14 {} {0.362278384802 0.424287287426 0.464298886104} Si5 13 1 7 {} {0.333138053842 0.462087695258 0.549716352335} N2 14 1 7 {} {0.459071508376 0.556642701286 0.346893367841} N3 15 1 1 {} {0.190896222448 0.500572001313 0.364132250831} H1 16 1 1 {} {0.210350725131 0.580024228341 0.329829763566} H2 17 1 1 {} {0.243505808217 0.545422029468 0.135292837272} H3 18 1 1 {} {0.249324027967 0.376037496726 0.322656053815} H4 19 1 1 {} {0.286196837781 0.379990661197 0.230054474236} H5 20 1 1 {} {0.227704114988 0.381917965735 0.212136311851} H6 21 1 1 {} {0.0977544495413 0.464156173429 0.156867283544} H7 22 1 1 {} {0.10873934314 0.440220569535 0.269107223279} H8 23 1 1 {} {0.146680645869 0.418164788634 0.183304815897} H9 24 1 1 {} {0.161828126796 0.586599192909 0.0871901452271} H10 25 1 1 {} {0.0920905955277 0.586462601331 0.277661276145} H11 26 1 1 {} {0.364292616307 0.561375381704 0.250023706517} H12 27 1 1 {} {0.346769402885 0.600232290594 0.400940183315} H13 28 1 1 {} {0.46108710425 0.42451320189 0.3932630909} H14 29 1 1 {} {0.439190730378 0.459617162624 0.243918313656} H15 30 1 1 {} {0.330786994202 0.375132623536 0.424059891266} H16 31 1 1 {} {0.401735132462 0.390037962587 0.503621548339} H17 32 1 1 {} {0.301518408852 0.478577239577 0.538798509248} H18 33 1 1 {} {0.349134431528 0.492489714 0.593728755195} H19 34 1 1 {} {0.481922566725 0.571597668905 0.300884723396} H20 35 1 1 {} {0.464917928686 0.578825425663 0.406804157538} H21 36 1 6 {} {0.65767834206 0.636645002318 0.507018333951} C4 37 1 14 {} {0.618186587384 0.572811386985 0.459114802032} Si6 38 1 14 {} {0.655317892536 0.72327782701 0.462142167358} Si7 39 1 8 {} {0.615946118337 0.581065011317 0.34945567955} O5 40 1 8 {} {0.637917864622 0.498062223753 0.483421711641} O6 41 1 6 {} {0.561079628191 0.578930212144 0.508177548056} C5 42 1 6 {} {0.607743993595 0.773745406307 0.50689043233} C6 43 1 8 {} {0.651081404205 0.712513946108 0.35167544475} O7 44 1 8 {} {0.702912881527 0.764677931834 0.477817620035} O8 45 1 14 {} {0.648516576524 0.420194048236 0.45551011226} Si8 46 1 7 {} {0.603165775083 0.367997112306 0.473611506731} N4 47 1 14 {} {0.583601747838 0.318791047353 0.385105986828} Si9 48 1 14 {} {0.57850771535 0.364673870257 0.580080161664} Si10 49 1 7 {} {0.613694021324 0.3834316323 0.6670710637} N5 50 1 7 {} {0.618647437544 0.256099107137 0.347818637069} N6 51 1 1 {} {0.653560408029 0.638181771241 0.580100203818} H22 52 1 1 {} {0.691747852793 0.617870109248 0.494569516382} H23 53 1 1 {} {0.62822211037 0.623442329966 0.327623593574} H24 54 1 1 {} {0.56123160385 0.568983443813 0.580322688934} H25 55 1 1 {} {0.539002283589 0.541993990742 0.476388014609} H26 56 1 1 {} {0.546648923449 0.628886938299 0.49732408063} H27 57 1 1 {} {0.606987519491 0.824175447252 0.47749334759} H28 58 1 1 {} {0.609800395515 0.779260765039 0.579836261607} H29 59 1 1 {} {0.575678603349 0.749579202722 0.491696519815} H30 60 1 1 {} {0.659065297386 0.749929723523 0.313728036469} H31 61 1 1 {} {0.70328925312 0.799696126045 0.522459919118} H32 62 1 1 {} {0.660047363825 0.415114108601 0.3587526194} H33 63 1 1 {} {0.687698391106 0.399781633615 0.510309137383} H34 64 1 1 {} {0.541837919725 0.28678337705 0.417961398436} H35 65 1 1 {} {0.575450108865 0.361634852008 0.30551074478} H36 66 1 1 {} {0.5412969006 0.414054813882 0.586298589858} H37 67 1 1 {} {0.561303018216 0.295236206541 0.591798538627} H38 68 1 1 {} {0.620285422435 0.432034382808 0.681983885682} H39 69 1 1 {} {0.640727110811 0.354344386301 0.680165257556} H40 70 1 1 {} {0.643257533595 0.267149911024 0.303537952067} H41 71 1 1 {} {0.628189653231 0.218300916508 0.389036790886} 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