#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 {} {0.370660340389 0.582143456408 0.411473219035} C1 1 1 14 {} {0.348220183845 0.55536612152 0.522097669667} Si1 2 1 14 {} {0.432040548054 0.589339495018 0.407175175164} Si2 3 1 8 {} {0.361608557516 0.612018922667 0.59822981243} O1 4 1 8 {} {0.293290371125 0.553039279379 0.515363919947} O2 5 1 6 {} {0.367392691199 0.470106199396 0.556707530769} C2 6 1 6 {} {0.457614889274 0.504359077752 0.392503653645} C3 7 1 8 {} {0.446145686293 0.623213470328 0.505939918453} O3 8 1 8 {} {0.444027236851 0.641099738236 0.323784399549} O4 9 1 14 {} {0.242887682118 0.558189351425 0.556346443206} Si3 10 1 7 {} {0.223488182776 0.479885651282 0.590275613567} N1 11 1 14 {} {0.201275012307 0.471707423574 0.697782721612} Si4 12 1 14 {} {0.224212465264 0.412289734203 0.515104231534} Si5 13 1 7 {} {0.218136207885 0.433211927316 0.404551057054} N2 14 1 7 {} {0.150853800884 0.510693933086 0.718151671615} N3 15 1 1 {} {0.360724446419 0.546509320223 0.359142429579} H1 16 1 1 {} {0.355621994991 0.630636650547 0.394339007369} H2 17 1 1 {} {0.39154256075 0.62993996443 0.587889961656} H3 18 1 1 {} {0.358840965436 0.431469424801 0.507270677117} H4 19 1 1 {} {0.351634388793 0.456138494705 0.620313637167} H5 20 1 1 {} {0.403712716656 0.468973730842 0.567012299481} H6 21 1 1 {} {0.49395483453 0.507698021694 0.390442991967} H7 22 1 1 {} {0.446590542446 0.480814308672 0.330102805639} H8 23 1 1 {} {0.448385757073 0.469936319916 0.446450123181} H9 24 1 1 {} {0.476898445644 0.637740986842 0.51125826339} H10 25 1 1 {} {0.475100217619 0.640092401098 0.305304725775} H11 26 1 1 {} {0.241518765925 0.602462102961 0.636466272893} H12 27 1 1 {} {0.21424902857 0.586301213539 0.484393203109} H13 28 1 1 {} {0.194641703612 0.398632533336 0.712066124415} H14 29 1 1 {} {0.232880459346 0.500924964605 0.763662903145} H15 30 1 1 {} {0.267457708392 0.375695045485 0.521034220585} H16 31 1 1 {} {0.186569071328 0.367796846173 0.541793341185} H17 32 1 1 {} {0.245189529796 0.448211380684 0.368883607408} H18 33 1 1 {} {0.190225097948 0.456996474488 0.382701929448} H19 34 1 1 {} {0.150124123188 0.560371441751 0.732779576735} H20 35 1 1 {} {0.122886069763 0.496920077707 0.68439683656} H21 36 1 6 {} {0.622647294765 0.612325892956 0.351540825102} C4 37 1 14 {} {0.579850770901 0.550545463161 0.389761908225} Si6 38 1 14 {} {0.615997509247 0.700948427295 0.387481433987} Si7 39 1 8 {} {0.5335856783 0.595059775594 0.385437487777} O5 40 1 8 {} {0.57616844954 0.487021258345 0.321101366457} O6 41 1 6 {} {0.587780336745 0.516958023933 0.504279420521} C5 42 1 6 {} {0.632044541457 0.716715514229 0.505949213827} C6 43 1 8 {} {0.561331627984 0.717531542052 0.376410980174} O7 44 1 8 {} {0.642533432391 0.751210298321 0.317273177953} O8 45 1 14 {} {0.570124535976 0.424926660149 0.250419260555} Si8 46 1 7 {} {0.582495460361 0.3467792904 0.293557487675} N4 47 1 14 {} {0.538969308992 0.289763640713 0.315766451249} Si9 48 1 14 {} {0.637016448487 0.320547009584 0.317599851105} Si10 49 1 7 {} {0.678108770685 0.366482849157 0.266240355046} N5 50 1 7 {} {0.515221407151 0.246355627313 0.228715418426} N6 51 1 1 {} {0.656754676134 0.596336367013 0.366655824645} H22 52 1 1 {} {0.62116015463 0.612121403571 0.278129194443} H23 53 1 1 {} {0.53902699258 0.643942424001 0.379981354573} H24 54 1 1 {} {0.619207874897 0.489135687022 0.509225055118} H25 55 1 1 {} {0.560660457694 0.48217644013 0.521258393568} H26 56 1 1 {} {0.588266773607 0.556819803198 0.554772635567} H27 57 1 1 {} {0.626198904977 0.769321105919 0.524320046124} H28 58 1 1 {} {0.667457902212 0.705076429422 0.516813194903} H29 59 1 1 {} {0.612402759164 0.685778987035 0.552433925732} H30 60 1 1 {} {0.549299355315 0.762324700612 0.373079706086} H31 61 1 1 {} {0.66000582201 0.787160398412 0.342905382172} H32 62 1 1 {} {0.522663497681 0.422464554407 0.221874508304} H33 63 1 1 {} {0.599255661041 0.439990457912 0.172736701632} H34 64 1 1 {} {0.558823962936 0.238712221709 0.376703658704} H35 65 1 1 {} {0.501988924854 0.327227615871 0.358966822763} H36 66 1 1 {} {0.646480656026 0.326231705721 0.415075247457} H37 67 1 1 {} {0.640788051231 0.249089061904 0.289244041194} H38 68 1 1 {} {0.691687508409 0.40704150791 0.296611003594} H39 69 1 1 {} {0.681108623142 0.369296562605 0.198868474653} H40 70 1 1 {} {0.492711176659 0.26902017968 0.188042214909} H41 71 1 1 {} {0.532494750546 0.210571872785 0.195127545905} 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