#MD System 2.0 @Title neb0_image03 @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 {} {0.207666906085 0.528242390703 0.314028325712} C1 1 1 14 {} {0.261596112379 0.491260083798 0.272280406326} Si1 2 1 14 {} {0.160996593345 0.536716748082 0.232989161475} Si2 3 1 8 {} {0.274170620695 0.5242962324 0.174428952821} O1 4 1 8 {} {0.301626194053 0.511507763774 0.343108723236} O2 5 1 6 {} {0.259634104685 0.398096340834 0.265195722746} C2 6 1 6 {} {0.12943774319 0.457016262398 0.215284495846} C3 7 1 8 {} {0.185517353919 0.562543102166 0.13875251037} O3 8 1 8 {} {0.125670723069 0.597858819321 0.260008682653} O4 9 1 14 {} {0.353112748931 0.540498778198 0.34836418539} Si3 10 1 7 {} {0.387832254757 0.477555750732 0.389920364966} N1 11 1 14 {} {0.442159929802 0.47590750232 0.348857322039} Si4 12 1 14 {} {0.367442392374 0.423349165256 0.47267747131} Si5 13 1 7 {} {0.338299692776 0.461114146145 0.558100884389} N2 14 1 7 {} {0.464043575495 0.555620917902 0.354946529032} N3 15 1 1 {} {0.196079926356 0.499620586711 0.372485032365} H1 16 1 1 {} {0.215537964139 0.57906556596 0.338176449502} H2 17 1 1 {} {0.248684754642 0.544478716886 0.143631958228} H3 18 1 1 {} {0.254489120177 0.37507497692 0.331000781625} H4 19 1 1 {} {0.291350728724 0.37902646257 0.238458917122} H5 20 1 1 {} {0.232872217479 0.380967554352 0.220520160137} H6 21 1 1 {} {0.102927537034 0.463225552553 0.165226455538} H7 22 1 1 {} {0.113900512068 0.439274045598 0.277481685862} H8 23 1 1 {} {0.151851957659 0.417211185751 0.19167614554} H9 24 1 1 {} {0.166994862611 0.585643821195 0.0955940147747} H10 25 1 1 {} {0.0972679932084 0.585509124393 0.286035982869} H11 26 1 1 {} {0.369454916613 0.560427265884 0.258498732104} H12 27 1 1 {} {0.351939790853 0.599274860276 0.409311092032} H13 28 1 1 {} {0.466262518272 0.423624227122 0.401593281409} H14 29 1 1 {} {0.44435722677 0.458625218261 0.252266113999} H15 30 1 1 {} {0.335965186062 0.37418565649 0.432427883687} H16 31 1 1 {} {0.406907343439 0.389076841274 0.511977090991} H17 32 1 1 {} {0.306690373647 0.477637084771 0.547174932071} H18 33 1 1 {} {0.354293964156 0.491558075492 0.602099951425} H19 34 1 1 {} {0.48707335706 0.570627592472 0.309354474474} H20 35 1 1 {} {0.469902449982 0.577875618906 0.414747249148} H21 36 1 6 {} {0.652516571811 0.637574207069 0.498645564499} C4 37 1 14 {} {0.613065858914 0.573787984485 0.450749209815} Si6 38 1 14 {} {0.650186658948 0.72424588838 0.453804090479} Si7 39 1 8 {} {0.610656654331 0.582053579894 0.341038425633} O5 40 1 8 {} {0.632787544539 0.499039563197 0.475049632559} O6 41 1 6 {} {0.556046389074 0.579912422836 0.500085415753} C5 42 1 6 {} {0.602590862926 0.774695084453 0.498525425022} C6 43 1 8 {} {0.645939644226 0.713451194435 0.343282727696} O7 44 1 8 {} {0.697757622384 0.765610584007 0.469473234004} O8 45 1 14 {} {0.643296738128 0.421134053815 0.447104035754} Si8 46 1 7 {} {0.598023913867 0.369003375176 0.465519774322} N4 47 1 14 {} {0.578461066645 0.319598968568 0.37667939425} Si9 48 1 14 {} {0.573230756155 0.365589649917 0.571346619597} Si10 49 1 7 {} {0.608598090596 0.384408210859 0.658768600271} N5 50 1 7 {} {0.613427984336 0.257072074949 0.339390818634} N6 51 1 1 {} {0.648391124285 0.639127906089 0.571726947255} H22 52 1 1 {} {0.686580609789 0.618849495372 0.486187814335} H23 53 1 1 {} {0.623046505335 0.624386086742 0.319245390214} H24 54 1 1 {} {0.556106035976 0.569991934484 0.572169348234} H25 55 1 1 {} {0.534123415552 0.542880796 0.468213727442} H26 56 1 1 {} {0.541536425964 0.629817308617 0.489011325071} H27 57 1 1 {} {0.601809274959 0.825117398565 0.469101391315} H28 58 1 1 {} {0.604619774603 0.780221131375 0.571478789607} H29 59 1 1 {} {0.570506555312 0.750547715747 0.483325223798} H30 60 1 1 {} {0.653887678251 0.750889952154 0.305310822876} H31 61 1 1 {} {0.698115228581 0.800637384059 0.514054538779} H32 62 1 1 {} {0.654873746349 0.416086337838 0.35038437103} H33 63 1 1 {} {0.682536521014 0.400763933708 0.501963372491} H34 64 1 1 {} {0.536666904261 0.287760153499 0.409584477615} H35 65 1 1 {} {0.570264762745 0.362599313292 0.297138282865} H36 66 1 1 {} {0.536134811366 0.415001639633 0.578024721697} H37 67 1 1 {} {0.556149881073 0.296169226226 0.58348839662} H38 68 1 1 {} {0.615111891025 0.433014243694 0.673628574268} H39 69 1 1 {} {0.635572754379 0.355298589775 0.671839837794} H40 70 1 1 {} {0.638056310647 0.268104406619 0.295166729167} H41 71 1 1 {} {0.622989646684 0.219267094598 0.380618942738} 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