#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 {} {0.363856863392 0.561049662767 0.412913634975} C1 1 1 14 {} {0.340593201019 0.534464990498 0.523533243297} Si1 2 1 14 {} {0.425476606047 0.571774274848 0.408459720762} Si2 3 1 8 {} {0.353640495302 0.591178091646 0.599504957634} O1 4 1 8 {} {0.285465178674 0.53260441778 0.516546430403} O2 5 1 6 {} {0.359416962609 0.449228824572 0.558226158561} C2 6 1 6 {} {0.456454635521 0.491242621138 0.393844840703} C3 7 1 8 {} {0.438306540684 0.606912571744 0.507404540283} O3 8 1 8 {} {0.438135668392 0.623611462342 0.325422076328} O4 9 1 14 {} {0.235181487668 0.537195005244 0.557741828437} Si3 10 1 7 {} {0.215431523049 0.459095416302 0.59200049091} N1 11 1 14 {} {0.192969144584 0.450828621022 0.699437061679} Si4 12 1 14 {} {0.215981361152 0.391449779191 0.516940342576} Si5 13 1 7 {} {0.20989773847 0.412657357649 0.406495357535} N2 14 1 7 {} {0.142522141928 0.489832174604 0.71964701027} N3 15 1 1 {} {0.353810860464 0.525342337919 0.360562715945} H1 16 1 1 {} {0.348215873533 0.60940366185 0.39585896423} H2 17 1 1 {} {0.383518338513 0.609568424525 0.58992378626} H3 18 1 1 {} {0.350724294128 0.410632823537 0.508930474414} H4 19 1 1 {} {0.343709097849 0.435411125668 0.621937816862} H5 20 1 1 {} {0.395768820789 0.447991214598 0.568214988634} H6 21 1 1 {} {0.492465805068 0.501108959495 0.390716110851} H7 22 1 1 {} {0.446947492622 0.467118874423 0.330703839379} H8 23 1 1 {} {0.450321029525 0.455785065719 0.448510170503} H9 24 1 1 {} {0.46914999269 0.621098788725 0.513528007664} H10 25 1 1 {} {0.470142998503 0.624948566846 0.313875423066} H11 26 1 1 {} {0.233407957226 0.581402856413 0.638016071767} H12 27 1 1 {} {0.206254830432 0.565350014161 0.486160061684} H13 28 1 1 {} {0.186289691381 0.377750502916 0.713708108711} H14 29 1 1 {} {0.224503062499 0.479998205951 0.765458020095} H15 30 1 1 {} {0.259247893861 0.354893197954 0.522727339202} H16 31 1 1 {} {0.178410131973 0.346780921171 0.543520183462} H17 32 1 1 {} {0.236906007087 0.427280294986 0.370466791054} H18 33 1 1 {} {0.181912275327 0.436020426277 0.384320362081} H19 34 1 1 {} {0.141775932438 0.539457225872 0.73459347847} H20 35 1 1 {} {0.114509805521 0.476095636313 0.686044774513} H21 36 1 6 {} {0.627088163671 0.63163486449 0.350104794073} C4 37 1 14 {} {0.584170211095 0.569121437822 0.38756118988} Si6 38 1 14 {} {0.621394395089 0.720086112185 0.386616213359} Si7 39 1 8 {} {0.53419887533 0.605622806595 0.382138018079} O5 40 1 8 {} {0.584691363659 0.504688754563 0.32040410361} O6 41 1 6 {} {0.59496645675 0.537136007509 0.50248153247} C5 42 1 6 {} {0.639534818479 0.737135678374 0.503821337977} C6 43 1 8 {} {0.566529358044 0.734883496455 0.375120236246} O7 44 1 8 {} {0.649177402866 0.769430612642 0.316758892188} O8 45 1 14 {} {0.578245598981 0.444209293469 0.247436164157} Si8 46 1 7 {} {0.590806951717 0.366150098225 0.290458786564} N4 47 1 14 {} {0.547173925398 0.309824726679 0.314108363905} Si9 48 1 14 {} {0.64537934759 0.34077986225 0.315759719244} Si10 49 1 7 {} {0.686419290204 0.386994642186 0.264609163765} N5 50 1 7 {} {0.523273619389 0.266732168873 0.227102539629} N6 51 1 1 {} {0.660451213284 0.613257101108 0.368868376886} H22 52 1 1 {} {0.626271550142 0.632378542766 0.276442941343} H23 53 1 1 {} {0.536657244419 0.654727300429 0.377475416716} H24 54 1 1 {} {0.627072420833 0.510590250318 0.505159820341} H25 55 1 1 {} {0.568836036873 0.501629133239 0.522740041922} H26 56 1 1 {} {0.59587890346 0.577671100233 0.552026192204} H27 57 1 1 {} {0.634269584372 0.789900815798 0.521999441697} H28 58 1 1 {} {0.6751256123 0.72572736018 0.513193889824} H29 59 1 1 {} {0.620552845986 0.706584592552 0.551571232078} H30 60 1 1 {} {0.556076480549 0.780718607379 0.37220771404} H31 61 1 1 {} {0.667055053319 0.80514665609 0.341839884901} H32 62 1 1 {} {0.530605797339 0.442272524602 0.218727440271} H33 63 1 1 {} {0.60751205576 0.460285734673 0.170030414378} H34 64 1 1 {} {0.567152277729 0.259056316932 0.375211511789} H35 65 1 1 {} {0.510366844969 0.347853454144 0.357295911114} H36 66 1 1 {} {0.654642184374 0.346885553368 0.413315729969} H37 67 1 1 {} {0.649173776795 0.269349344345 0.287640210169} H38 68 1 1 {} {0.699683556349 0.427784011691 0.294944594939} H39 69 1 1 {} {0.689392087951 0.389940789063 0.197243661138} H40 70 1 1 {} {0.501074517994 0.289958326454 0.186121656463} H41 71 1 1 {} {0.540700759005 0.231223767468 0.19311931298} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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