#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 {} {0.210255699527 0.527755319908 0.318220936074} C1 1 1 14 {} {0.26418287341 0.490774479085 0.27638731661} Si1 2 1 14 {} {0.163559527231 0.536278494914 0.237220307463} Si2 3 1 8 {} {0.276796870339 0.523935278085 0.178606131927} O1 4 1 8 {} {0.304161190549 0.511054264935 0.347367234789} O2 5 1 6 {} {0.262219175168 0.397604546437 0.269353294519} C2 6 1 6 {} {0.132024113103 0.456551374113 0.219481733324} C3 7 1 8 {} {0.188059523365 0.562073763379 0.142928614057} O3 8 1 8 {} {0.128213598362 0.597393930696 0.264117508967} O4 9 1 14 {} {0.355642883989 0.540007826746 0.352455864393} Si3 10 1 7 {} {0.390410573736 0.477066767729 0.394067139695} N1 11 1 14 {} {0.444742181322 0.47551546514 0.353119410177} Si4 12 1 14 {} {0.370003504673 0.422861756221 0.476898260106} Si5 13 1 7 {} {0.340893467693 0.460690211962 0.562274922897} N2 14 1 7 {} {0.466608634883 0.555139212722 0.359165355373} N3 15 1 1 {} {0.198649229167 0.499153548762 0.376693879814} H1 16 1 1 {} {0.218087288978 0.578585025329 0.34239964607} H2 17 1 1 {} {0.251251605565 0.54398327589 0.147868973437} H3 18 1 1 {} {0.25707143844 0.37463309328 0.335218376412} H4 19 1 1 {} {0.293949715392 0.378585028612 0.24258183167} H5 20 1 1 {} {0.235456547205 0.380490230038 0.224668334628} H6 21 1 1 {} {0.105507351825 0.462717245042 0.169416403231} H7 22 1 1 {} {0.116491168766 0.438781180131 0.281652243275} H8 23 1 1 {} {0.154436045976 0.416739167147 0.195844772539} H9 24 1 1 {} {0.169580117767 0.585173374913 0.0997247069627} H10 25 1 1 {} {0.0998401440058 0.585051333849 0.290193554853} H11 26 1 1 {} {0.372038956128 0.559943410165 0.262559403456} H12 27 1 1 {} {0.354517301368 0.598814998431 0.41349631014} H13 28 1 1 {} {0.468856992102 0.423127467975 0.405835351218} H14 29 1 1 {} {0.446943478203 0.458185204163 0.256456599215} H15 30 1 1 {} {0.338527878179 0.373703877254 0.436606870807} H16 31 1 1 {} {0.409479038926 0.388623370891 0.516170360865} H17 32 1 1 {} {0.309270276569 0.477158744809 0.551345857535} H18 33 1 1 {} {0.356896868016 0.491055299018 0.606282655417} H19 34 1 1 {} {0.489670678528 0.570179743565 0.313424892776} H20 35 1 1 {} {0.472512082805 0.577409719262 0.419104349045} H21 36 1 6 {} {0.649941334088 0.638037749785 0.494459303537} C4 37 1 14 {} {0.610488145912 0.574214144459 0.446641988106} Si6 38 1 14 {} {0.647601764173 0.724718997705 0.449642127657} Si7 39 1 8 {} {0.608127264009 0.582485313028 0.33687785046} O5 40 1 8 {} {0.630140310061 0.499519497448 0.470835707178} O6 41 1 6 {} {0.553449171821 0.580322959843 0.495876835258} C5 42 1 6 {} {0.599998263028 0.775177340757 0.494320695025} C6 43 1 8 {} {0.643271544833 0.71394620501 0.339148352534} O7 44 1 8 {} {0.695177754879 0.766053747532 0.465286215621} O8 45 1 14 {} {0.640752415188 0.421574675992 0.44296224838} Si8 46 1 7 {} {0.595423135509 0.369425132707 0.461060157284} N4 47 1 14 {} {0.575854174767 0.320191599784 0.372555363712} Si9 48 1 14 {} {0.570757532107 0.36612400688 0.56756909447} Si10 49 1 7 {} {0.605961901944 0.384869874187 0.654522534016} N5 50 1 7 {} {0.610910949766 0.257499186244 0.335272962988} N6 51 1 1 {} {0.645802763314 0.639598188409 0.567558266805} H22 52 1 1 {} {0.683994495548 0.619264633323 0.482025447336} H23 53 1 1 {} {0.620482108908 0.624881982857 0.315080848668} H24 54 1 1 {} {0.553544937339 0.57043237601 0.567802160702} H25 55 1 1 {} {0.531495927291 0.54340075323 0.46400032153} H26 56 1 1 {} {0.53894358867 0.630356623043 0.484793113244} H27 57 1 1 {} {0.599244399384 0.825584509031 0.464951231518} H28 58 1 1 {} {0.60205500936 0.78067506176 0.567276334615} H29 59 1 1 {} {0.56792365961 0.750989657846 0.479134932825} H30 60 1 1 {} {0.651303598435 0.751346125048 0.301191095553} H31 61 1 1 {} {0.695544525426 0.801101282143 0.509899763516} H32 62 1 1 {} {0.65230319554 0.416545582495 0.346193497125} H33 63 1 1 {} {0.679945124774 0.401220695923 0.497735615296} H34 64 1 1 {} {0.534102346138 0.288190131956 0.405406814414} H35 65 1 1 {} {0.567701598305 0.36306254496 0.292946299907} H36 66 1 1 {} {0.533568506846 0.415496116308 0.573753158243} H37 67 1 1 {} {0.553548318587 0.296682360431 0.579254231681} H38 68 1 1 {} {0.612544406294 0.433452108291 0.669449463878} H39 69 1 1 {} {0.632982774295 0.355757720205 0.667607507633} H40 70 1 1 {} {0.63552920327 0.268568447518 0.291003402323} H41 71 1 1 {} {0.620453683898 0.219738581213 0.376503782812} 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