#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 {} {0.219334818398 0.525630986629 0.334249074936} C1 1 1 14 {} {0.272978967467 0.48801786213 0.293339965344} Si1 2 1 14 {} {0.173157481487 0.534628171488 0.253448708041} Si2 3 1 8 {} {0.286363312425 0.52234623648 0.196637678824} O1 4 1 8 {} {0.313872429004 0.505978712048 0.367579054317} O2 5 1 6 {} {0.271837600419 0.39572997721 0.28508048032} C2 6 1 6 {} {0.141435391518 0.454730658752 0.235340285782} C3 7 1 8 {} {0.197525756528 0.560251135974 0.158052571744} O3 8 1 8 {} {0.137057096603 0.595459390215 0.27857552558} O4 9 1 14 {} {0.365363790982 0.54193843359 0.371930120119} Si3 10 1 7 {} {0.400749986018 0.475573182328 0.413100945032} N1 11 1 14 {} {0.456706018453 0.479884575091 0.364463864765} Si4 12 1 14 {} {0.378445381379 0.420017073991 0.497882676919} Si5 13 1 7 {} {0.34969895215 0.462427669869 0.580187193641} N2 14 1 7 {} {0.467319344469 0.56836818923 0.376067728487} N3 15 1 1 {} {0.207729588648 0.497028660578 0.393022012123} H1 16 1 1 {} {0.227345008515 0.576871090232 0.358045255768} H2 17 1 1 {} {0.261162737763 0.542362156338 0.164341944697} H3 18 1 1 {} {0.267069075039 0.373226639587 0.350911751472} H4 19 1 1 {} {0.303742672587 0.377654925625 0.258891198521} H5 20 1 1 {} {0.245646438224 0.378142613822 0.240995783506} H6 21 1 1 {} {0.114857106704 0.460074534389 0.1848499753} H7 22 1 1 {} {0.126155941729 0.436442503121 0.29771236669} H8 23 1 1 {} {0.164542201947 0.415500728913 0.211842917885} H9 24 1 1 {} {0.179637654922 0.583475181957 0.115407968081} H10 25 1 1 {} {0.109298052819 0.584175349937 0.306456543849} H11 26 1 1 {} {0.370517374638 0.555814408474 0.279477435955} H12 27 1 1 {} {0.363633011739 0.59526710525 0.42912137389} H13 28 1 1 {} {0.477231164313 0.417778993621 0.420813738668} H14 29 1 1 {} {0.456616472345 0.471297105346 0.279529744987} H15 30 1 1 {} {0.347563057489 0.370087212187 0.449126693643} H16 31 1 1 {} {0.421508717662 0.387234217642 0.529118949772} H17 32 1 1 {} {0.317485656068 0.474096819174 0.564675970933} H18 33 1 1 {} {0.369449001088 0.488689943363 0.621659595651} H19 34 1 1 {} {0.510995181676 0.567779438298 0.326029758555} H20 35 1 1 {} {0.492088038131 0.548380299546 0.428555588188} H21 36 1 6 {} {0.636223918514 0.653551745944 0.48038472602} C4 37 1 14 {} {0.603725027781 0.577923623984 0.438097311361} Si6 38 1 14 {} {0.633558141608 0.733870291648 0.430018500065} Si7 39 1 8 {} {0.600988087323 0.58344691418 0.321996617178} O5 40 1 8 {} {0.617630473677 0.498834731492 0.447265201823} O6 41 1 6 {} {0.543773781649 0.584809647979 0.486535493882} C5 42 1 6 {} {0.590567512502 0.776612075699 0.479181844961} C6 43 1 8 {} {0.634433005111 0.712362607708 0.324033268016} O7 44 1 8 {} {0.682479395841 0.760174562442 0.450266487669} O8 45 1 14 {} {0.630972682658 0.417782611526 0.42755229558} Si8 46 1 7 {} {0.583953371113 0.369517569005 0.442719700746} N4 47 1 14 {} {0.56761690924 0.323540896048 0.359769556958} Si9 48 1 14 {} {0.561218360441 0.370277655895 0.553769578443} Si10 49 1 7 {} {0.596510663215 0.3876253544 0.638708997781} N5 50 1 7 {} {0.60072715568 0.260246659808 0.319683624931} N6 51 1 1 {} {0.630959170118 0.640300326451 0.553137636697} H22 52 1 1 {} {0.667938353482 0.610364076756 0.451661654971} H23 53 1 1 {} {0.612486939004 0.627713869472 0.300274838526} H24 54 1 1 {} {0.537857273721 0.568748832434 0.554877869039} H25 55 1 1 {} {0.536960010047 0.546913392468 0.437954340601} H26 56 1 1 {} {0.532437216452 0.638792872702 0.473757090301} H27 57 1 1 {} {0.59114630141 0.825149999871 0.448663089791} H28 58 1 1 {} {0.592689279886 0.781475511549 0.551631190451} H29 59 1 1 {} {0.560334585178 0.750536916589 0.463117611875} H30 60 1 1 {} {0.641603595273 0.753186433287 0.289702259151} H31 61 1 1 {} {0.685483605638 0.802087772858 0.492489723105} H32 62 1 1 {} {0.642943849586 0.419674077114 0.329058520743} H33 63 1 1 {} {0.67036800611 0.40213931182 0.481187096261} H34 64 1 1 {} {0.525149499527 0.291718268703 0.390677562337} H35 65 1 1 {} {0.557807039354 0.366022307883 0.276085440909} H36 66 1 1 {} {0.524215920789 0.416636427756 0.556225743822} H37 67 1 1 {} {0.544424523514 0.29931022108 0.562148496374} H38 68 1 1 {} {0.602693351209 0.434615780078 0.654114256847} H39 69 1 1 {} {0.622823237764 0.356886094477 0.650176215946} H40 70 1 1 {} {0.625988878149 0.270274331377 0.275627035626} H41 71 1 1 {} {0.610868245311 0.221817054276 0.360734849541} 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