#MD System 2.0 @Title neb0_image06 @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 {} {0.358490785294 0.535700369419 0.423003797929} C1 1 1 14 {} {0.339451998072 0.502629683952 0.534037521223} Si1 2 1 14 {} {0.413386325593 0.578579334681 0.418560187148} Si2 3 1 8 {} {0.342769261239 0.562889890691 0.609297561439} O1 4 1 8 {} {0.286590313377 0.480569617265 0.526079279873} O2 5 1 6 {} {0.371126954804 0.426688746761 0.569422383957} C2 6 1 6 {} {0.462344326042 0.521556001036 0.412116413299} C3 7 1 8 {} {0.415318873516 0.622294552056 0.514096591384} O3 8 1 8 {} {0.41387892254 0.629188110683 0.330597864463} O4 9 1 14 {} {0.23422050002 0.486245696289 0.556688184183} Si3 10 1 7 {} {0.214598012203 0.407552732817 0.588143472711} N1 11 1 14 {} {0.178572887208 0.403227480627 0.680007087634} Si4 12 1 14 {} {0.230187520161 0.337547986897 0.524164726757} Si5 13 1 7 {} {0.231415143296 0.349836446842 0.410534496083} N2 14 1 7 {} {0.131047039358 0.451525868707 0.672845414073} N3 15 1 1 {} {0.358097164805 0.495267335391 0.372963528445} H1 16 1 1 {} {0.333547189162 0.572779583525 0.400967747684} H2 17 1 1 {} {0.366525089096 0.59506809731 0.596219459684} H3 18 1 1 {} {0.367798404582 0.385681418001 0.520942083209} H4 19 1 1 {} {0.358460733898 0.408616303576 0.633931118938} H5 20 1 1 {} {0.406839459984 0.437661480694 0.577709283987} H6 21 1 1 {} {0.494454360951 0.548095195787 0.411863796788} H7 22 1 1 {} {0.460993321412 0.490379958754 0.35181880716} H8 23 1 1 {} {0.462930127124 0.48782273485 0.469717172519} H9 24 1 1 {} {0.440620285442 0.651560426121 0.524133266451} H10 25 1 1 {} {0.442422430145 0.637560910662 0.302334494334} H11 26 1 1 {} {0.228475667304 0.531922833201 0.634659241954} H12 27 1 1 {} {0.208741165436 0.5128394936 0.478967617973} H13 28 1 1 {} {0.165696912765 0.33152965181 0.688145222887} H14 29 1 1 {} {0.201619396169 0.427591028636 0.761891367354} H15 30 1 1 {} {0.276113527923 0.315870762062 0.549071530996} H16 31 1 1 {} {0.197059397797 0.284145287312 0.544484306634} H17 32 1 1 {} {0.257834362179 0.373915378976 0.382646292256} H18 33 1 1 {} {0.20293569294 0.360600280872 0.376584832639} H19 34 1 1 {} {0.130867239171 0.499134997939 0.696560937441} H20 35 1 1 {} {0.108387474069 0.445596179068 0.623041315768} H21 36 1 6 {} {0.583451234363 0.347017801905 0.30888610856} C4 37 1 14 {} {0.578991856885 0.380175290688 0.426021767832} Si6 38 1 14 {} {0.567480307308 0.25794032938 0.290940916191} Si7 39 1 8 {} {0.60762910408 0.331345171825 0.494023744178} O5 40 1 8 {} {0.60125164256 0.455562432324 0.430856816549} O6 41 1 6 {} {0.520058685399 0.387802273121 0.463079901484} C5 42 1 6 {} {0.506587741157 0.247310047733 0.267330208014} C6 43 1 8 {} {0.582670812298 0.219265537619 0.385222241773} O7 44 1 8 {} {0.597208028004 0.221007744697 0.211050143801} O8 45 1 14 {} {0.644999516736 0.50034082162 0.459580784581} Si8 46 1 7 {} {0.629476482907 0.581435311073 0.486607434348} N4 47 1 14 {} {0.635991698307 0.609167698942 0.59698832799} Si9 48 1 14 {} {0.605589036985 0.635177196431 0.407582519064} Si10 49 1 7 {} {0.616711028476 0.61586264426 0.297795409516} N5 50 1 7 {} {0.68876323512 0.628983827003 0.633348082681} N6 51 1 1 {} {0.56402163487 0.378778771381 0.262940092992} H22 52 1 1 {} {0.618762606967 0.352150582819 0.289279699697} H23 53 1 1 {} {0.605774760483 0.284268380535 0.476438526334} H24 54 1 1 {} {0.501378988052 0.420186663383 0.417647527628} H25 55 1 1 {} {0.518316770372 0.410433543963 0.52980622759} H26 56 1 1 {} {0.502768722827 0.339383049378 0.465224752623} H27 57 1 1 {} {0.497268408256 0.194192418298 0.262720537794} H28 58 1 1 {} {0.497316975417 0.27145485055 0.203965681331} H29 59 1 1 {} {0.486180357179 0.270176636478 0.32012281763} H30 60 1 1 {} {0.585469006959 0.170934523614 0.382981594589} H31 61 1 1 {} {0.583987131901 0.21690731003 0.152340340191} H32 62 1 1 {} {0.667052576569 0.471650155582 0.540248119149} H33 63 1 1 {} {0.67673556425 0.500039086461 0.382910362998} H34 64 1 1 {} {0.608491164692 0.671235459479 0.603575238876} H35 65 1 1 {} {0.619646458599 0.556191501386 0.658634629325} H36 66 1 1 {} {0.555831802458 0.634342220851 0.415205025904} H37 67 1 1 {} {0.62257834595 0.704038972932 0.42564269739} H38 68 1 1 {} {0.600355227982 0.577444330473 0.267921816253} H39 69 1 1 {} {0.648272697438 0.619440172115 0.273714108505} H40 70 1 1 {} {0.710174456892 0.591728708318 0.651137881366} H41 71 1 1 {} {0.705769641957 0.668082986336 0.60606581466} 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