#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 {} {0.367324945823 0.571140846099 0.412359424812} C1 1 1 14 {} {0.344293563702 0.544538234448 0.522929159178} Si1 2 1 14 {} {0.428930500863 0.580629575898 0.40797875753} Si2 3 1 8 {} {0.357577593721 0.601396170446 0.598745747571} O1 4 1 8 {} {0.28937018653 0.54272441802 0.515711577202} O2 5 1 6 {} {0.363358574337 0.459324096288 0.55746987573} C2 6 1 6 {} {0.458076501925 0.498680635665 0.393134863115} C3 7 1 8 {} {0.44206926121 0.616047489585 0.50675362956} O3 8 1 8 {} {0.441006510416 0.633085019809 0.325178043102} O4 9 1 14 {} {0.239065086578 0.547391956005 0.556926065437} Si3 10 1 7 {} {0.219473918129 0.469323738575 0.591102144281} N1 11 1 14 {} {0.197089149501 0.461021083249 0.698593534128} Si4 12 1 14 {} {0.21999724187 0.401602185615 0.515979747327} Si5 13 1 7 {} {0.213901619452 0.422600575974 0.405451952291} N2 14 1 7 {} {0.14661720068 0.499994055961 0.71891002885} N3 15 1 1 {} {0.357690451702 0.535338965107 0.359734865587} H1 16 1 1 {} {0.352078403368 0.61975484128 0.395030443028} H2 17 1 1 {} {0.387479827677 0.619593039126 0.588959307793} H3 18 1 1 {} {0.354705802519 0.420779101208 0.508089512694} H4 19 1 1 {} {0.347630167896 0.44550011204 0.621108336227} H5 20 1 1 {} {0.399669074658 0.458131197253 0.567453263614} H6 21 1 1 {} {0.493964943549 0.507243090329 0.390504279244} H7 22 1 1 {} {0.448461949326 0.474502344229 0.330187787609} H8 23 1 1 {} {0.451315576999 0.463488006251 0.447608899466} H9 24 1 1 {} {0.473086032292 0.629303632125 0.512999278573} H10 25 1 1 {} {0.472453995433 0.631706906601 0.308993521379} H11 26 1 1 {} {0.237423894888 0.591679270591 0.637151661848} H12 27 1 1 {} {0.210201401664 0.575540670388 0.485252571839} H13 28 1 1 {} {0.190401793582 0.387961585025 0.712902115652} H14 29 1 1 {} {0.228630168369 0.490239079244 0.764630492277} H15 30 1 1 {} {0.263267269089 0.364995925779 0.521862411352} H16 31 1 1 {} {0.182376116835 0.357065272222 0.54266582779} H17 32 1 1 {} {0.240950192585 0.437500594109 0.369653269861} H18 33 1 1 {} {0.185974114765 0.446284853334 0.383488944913} H19 34 1 1 {} {0.145851570027 0.54966590621 0.733693282355} H20 35 1 1 {} {0.118609029476 0.486239977792 0.685269800933} H21 36 1 6 {} {0.624576853601 0.621684671938 0.350762626078} C4 37 1 14 {} {0.581381372135 0.559982737383 0.388540994825} Si6 38 1 14 {} {0.618120045122 0.710135295814 0.38738834017} Si7 39 1 8 {} {0.533177658658 0.601142905212 0.383527799068} O5 40 1 8 {} {0.580468619965 0.495592985356 0.321021554423} O6 41 1 6 {} {0.591299044385 0.527089337158 0.503257064485} C5 42 1 6 {} {0.635604081162 0.727027280567 0.504842765509} C6 43 1 8 {} {0.563268773036 0.725628942296 0.376067400741} O7 44 1 8 {} {0.645298611116 0.759843738353 0.317315516217} O8 45 1 14 {} {0.574261520396 0.434619414323 0.248698334223} Si8 46 1 7 {} {0.586720802457 0.356347737964 0.291676854801} N4 47 1 14 {} {0.543129625168 0.299905477872 0.314846487601} Si9 48 1 14 {} {0.641310238249 0.330845227093 0.316703519261} Si10 49 1 7 {} {0.682255209975 0.377070060978 0.265433084993} N5 50 1 7 {} {0.519317527285 0.256700738955 0.227720841215} N6 51 1 1 {} {0.65822781528 0.604076052572 0.368569869401} H22 52 1 1 {} {0.622919032389 0.622302485959 0.277192551081} H23 53 1 1 {} {0.537904854138 0.650157796729 0.379311390175} H24 54 1 1 {} {0.623190280229 0.500070384153 0.507189039448} H25 55 1 1 {} {0.564822117136 0.491949105675 0.522687695238} H26 56 1 1 {} {0.591963788638 0.567518916425 0.552964823601} H27 57 1 1 {} {0.630254463341 0.779805150524 0.522922408108} H28 58 1 1 {} {0.671162071848 0.715568674736 0.514249287409} H29 59 1 1 {} {0.616530299903 0.696404801986 0.552415303739} H30 60 1 1 {} {0.552038781907 0.771012086488 0.372843960615} H31 61 1 1 {} {0.663171987117 0.795472484644 0.342503172199} H32 62 1 1 {} {0.526684899663 0.432274467651 0.219697051815} H33 63 1 1 {} {0.603484016252 0.450289282554 0.171058632599} H34 64 1 1 {} {0.563064151889 0.249093533736 0.375999036355} H35 65 1 1 {} {0.506285867372 0.337790166499 0.358067204864} H36 66 1 1 {} {0.650634997087 0.336840717612 0.41421208649} H37 67 1 1 {} {0.645188243169 0.25941734077 0.288517393022} H38 68 1 1 {} {0.695807749833 0.417638568721 0.295772973469} H39 69 1 1 {} {0.685354348026 0.379836948096 0.19809105141} H40 70 1 1 {} {0.496958838715 0.279680183908 0.186999638099} H41 71 1 1 {} {0.536710105976 0.221106088487 0.194019431362} 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