#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 {} {0.210270455432 0.527773119208 0.318235645158} C1 1 1 14 {} {0.264179496364 0.490770824912 0.276455682146} Si1 2 1 14 {} {0.163592259809 0.536273623932 0.23721195459} Si2 3 1 8 {} {0.276770882264 0.523800270342 0.178609824032} O1 4 1 8 {} {0.304200391231 0.51106143434 0.347351962375} O2 5 1 6 {} {0.262241175318 0.397626220274 0.269393910525} C2 6 1 6 {} {0.13204384566 0.456553660445 0.219531637394} C3 7 1 8 {} {0.188092995653 0.562078779822 0.142954811565} O3 8 1 8 {} {0.128256382362 0.597319088845 0.264220077394} O4 9 1 14 {} {0.355664431531 0.540055140098 0.352526870037} Si3 10 1 7 {} {0.390410674479 0.477094177769 0.394135580756} N1 11 1 14 {} {0.444600007929 0.475376992162 0.35295834668} Si4 12 1 14 {} {0.370031154433 0.422860273379 0.476962053819} Si5 13 1 7 {} {0.340900021653 0.460662079999 0.562293163559} N2 14 1 7 {} {0.466322237173 0.555112135416 0.35870120119} N3 15 1 1 {} {0.198679570059 0.49914528393 0.376680922573} H1 16 1 1 {} {0.218134670155 0.57858844122 0.342394511463} H2 17 1 1 {} {0.251278424214 0.543992983823 0.147852669343} H3 18 1 1 {} {0.257092024939 0.374598159499 0.335200120774} H4 19 1 1 {} {0.293958358283 0.378538424443 0.242663396299} H5 20 1 1 {} {0.23548090318 0.380491386263 0.224733744607} H6 21 1 1 {} {0.105532203375 0.462740111965 0.169448529611} H7 22 1 1 {} {0.116504032267 0.438786824508 0.281713833361} H8 23 1 1 {} {0.154451502394 0.416733494365 0.195892315666} H9 24 1 1 {} {0.169588222399 0.585181444691 0.099771400494} H10 25 1 1 {} {0.0998596953529 0.585016524116 0.290260471802} H11 26 1 1 {} {0.372053395512 0.559941455098 0.262697386085} H12 27 1 1 {} {0.354544480154 0.598780758087 0.413502531464} H13 28 1 1 {} {0.468880345299 0.423207025628 0.405804365783} H14 29 1 1 {} {0.446965818754 0.458127810814 0.256503683078} H15 30 1 1 {} {0.338563750029 0.373717636657 0.43663203735} H16 31 1 1 {} {0.409512640414 0.388605750657 0.516173117763} H17 32 1 1 {} {0.309294835977 0.477152661106 0.551385338945} H18 33 1 1 {} {0.356888846881 0.491053575393 0.606291770691} H19 34 1 1 {} {0.489640855634 0.570127630553 0.313621273722} H20 35 1 1 {} {0.472256961319 0.577405011218 0.418492525578} H21 36 1 6 {} {0.649935458365 0.638046161413 0.494403781522} C4 37 1 14 {} {0.610542604249 0.574255873701 0.446691867086} Si6 38 1 14 {} {0.647596402844 0.724727575416 0.449610854785} Si7 39 1 8 {} {0.60801674883 0.582522364289 0.336841389296} O5 40 1 8 {} {0.630168931013 0.499536586803 0.470830677228} O6 41 1 6 {} {0.55363777237 0.580431284041 0.496251266122} C5 42 1 6 {} {0.59998077692 0.775205681408 0.494281212978} C6 43 1 8 {} {0.643306115602 0.713933694815 0.339086846706} O7 44 1 8 {} {0.695120295295 0.766096798856 0.465248940953} O8 45 1 14 {} {0.640731433434 0.42158541431 0.442981704944} Si8 46 1 7 {} {0.595397753455 0.369455060909 0.461049419412} N4 47 1 14 {} {0.575830522464 0.320181421964 0.372523945285} Si9 48 1 14 {} {0.570722816966 0.366134880796 0.567542677334} Si10 49 1 7 {} {0.605942013043 0.384860491696 0.65451238992} N5 50 1 7 {} {0.610879240122 0.257508976097 0.335191875991} N6 51 1 1 {} {0.645796154614 0.639598595989 0.567496610956} H22 52 1 1 {} {0.683986892597 0.619324533732 0.481983135546} H23 53 1 1 {} {0.620451394744 0.624872830275 0.315037348247} H24 54 1 1 {} {0.553572625041 0.570506522606 0.568128285413} H25 55 1 1 {} {0.531920322781 0.543308876542 0.464339462121} H26 56 1 1 {} {0.538997955759 0.630301434714 0.48485608101} H27 57 1 1 {} {0.599216750667 0.825612121568 0.46488345443} H28 58 1 1 {} {0.602027083134 0.780691651796 0.567249478471} H29 59 1 1 {} {0.567898562498 0.751024964451 0.479105847216} H30 60 1 1 {} {0.651287685106 0.751353916464 0.30112063528} H31 61 1 1 {} {0.695525759501 0.801104456969 0.509839937851} H32 62 1 1 {} {0.652282756818 0.416572564664 0.346161687931} H33 63 1 1 {} {0.679946992452 0.40123772796 0.497742753663} H34 64 1 1 {} {0.534088861243 0.288220114766 0.405335418041} H35 65 1 1 {} {0.567670293828 0.363066147078 0.292894066761} H36 66 1 1 {} {0.533527035634 0.415486296458 0.573762503889} H37 67 1 1 {} {0.553539947492 0.296637539392 0.579207544305} H38 68 1 1 {} {0.612523785647 0.433470307973 0.66938947645} H39 69 1 1 {} {0.632975171694 0.355775667264 0.667602183536} H40 70 1 1 {} {0.635489646179 0.268580051546 0.290926529729} H41 71 1 1 {} {0.620405336508 0.219724133822 0.376438166382} 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