#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 {} {0.363672283953 0.561091440935 0.413010285416} C1 1 1 14 {} {0.340526548805 0.534527050574 0.523510742111} Si1 2 1 14 {} {0.425291520593 0.57153228464 0.408725529775} Si2 3 1 8 {} {0.353698443687 0.591353430594 0.599420775249} O1 4 1 8 {} {0.285619910425 0.532765980401 0.516303550925} O2 5 1 6 {} {0.359452743206 0.449336491966 0.558217478783} C2 6 1 6 {} {0.456041247077 0.490930959331 0.393911660863} C3 7 1 8 {} {0.438333160879 0.606664580015 0.507561495318} O3 8 1 8 {} {0.437955410108 0.623353671236 0.325826802773} O4 9 1 14 {} {0.235203087963 0.537467133674 0.557668230909} Si3 10 1 7 {} {0.215512832072 0.459347946627 0.591887776074} N1 11 1 14 {} {0.193102317576 0.451037646156 0.699373103184} Si4 12 1 14 {} {0.216041862394 0.391653815583 0.516853288607} Si5 13 1 7 {} {0.209934544446 0.41266343681 0.40630957426} N2 14 1 7 {} {0.142633438539 0.489986685345 0.719712615443} N3 15 1 1 {} {0.353888430263 0.525374844254 0.360470334311} H1 16 1 1 {} {0.348321608089 0.609595226832 0.395828044707} H2 17 1 1 {} {0.383603734435 0.60965491738 0.589885332408} H3 18 1 1 {} {0.350759290503 0.410750067619 0.508849469641} H4 19 1 1 {} {0.343705213285 0.435539296834 0.621875698734} H5 20 1 1 {} {0.395775457883 0.448083949836 0.568229987994} H6 21 1 1 {} {0.492050681647 0.500493628203 0.390999169423} H7 22 1 1 {} {0.446568633638 0.466586973361 0.330917209736} H8 23 1 1 {} {0.449789348229 0.455481727519 0.448460507759} H9 24 1 1 {} {0.46929194281 0.620310505752 0.513526376189} H10 25 1 1 {} {0.469828554227 0.623150782468 0.312991705594} H11 26 1 1 {} {0.233551343147 0.58167074825 0.637892752088} H12 27 1 1 {} {0.20632477301 0.565555061185 0.486049779215} H13 28 1 1 {} {0.186444305865 0.377943025456 0.713645966578} H14 29 1 1 {} {0.224639886611 0.480236148152 0.765408005623} H15 30 1 1 {} {0.259309602119 0.355048332122 0.522683106751} H16 31 1 1 {} {0.178419304289 0.347092621052 0.543526970337} H17 32 1 1 {} {0.236987616969 0.427512361826 0.370490482016} H18 33 1 1 {} {0.182017080586 0.436302960376 0.384329520462} H19 34 1 1 {} {0.141885073018 0.539656526608 0.734517044995} H20 35 1 1 {} {0.114623086907 0.476268846391 0.686088575464} H21 36 1 6 {} {0.627358418187 0.631515495516 0.350081355346} C4 37 1 14 {} {0.584249095293 0.569271524622 0.387587104209} Si6 38 1 14 {} {0.621510422931 0.719980004741 0.386616948674} Si7 39 1 8 {} {0.534706597932 0.607168459287 0.382285878312} O5 40 1 8 {} {0.58441887718 0.504846754238 0.320310750291} O6 41 1 6 {} {0.594888951122 0.537083793199 0.502481160559} C5 42 1 6 {} {0.639504044965 0.737009526841 0.50386466272} C6 43 1 8 {} {0.566623844058 0.734866361805 0.375299573632} O7 44 1 8 {} {0.649008706219 0.769534905701 0.316628707344} O8 45 1 14 {} {0.578140091197 0.444120043448 0.247583595475} Si8 46 1 7 {} {0.590734577881 0.366145894279 0.290650809796} N4 47 1 14 {} {0.547099200134 0.309688465648 0.314074745198} Si9 48 1 14 {} {0.645305253604 0.340756592432 0.315785376598} Si10 49 1 7 {} {0.686297874184 0.387018751995 0.264587870799} N5 50 1 7 {} {0.523268802145 0.266628194706 0.227041059504} N6 51 1 1 {} {0.66079239581 0.613249988434 0.368626514378} H22 52 1 1 {} {0.626281677116 0.632239060885 0.276426274426} H23 53 1 1 {} {0.538165113779 0.656252400558 0.378000567366} H24 54 1 1 {} {0.626948827891 0.510394664421 0.505544027675} H25 55 1 1 {} {0.568675984717 0.501677567753 0.522611622909} H26 56 1 1 {} {0.595743767576 0.577617146128 0.552055931853} H27 57 1 1 {} {0.634209839356 0.789772720189 0.522025031242} H28 58 1 1 {} {0.675080658221 0.725571012175 0.513255565313} H29 59 1 1 {} {0.620481489488 0.706426661755 0.55152940009} H30 60 1 1 {} {0.5559204573 0.780550313174 0.37217312504} H31 61 1 1 {} {0.666985429483 0.805081631794 0.341694752693} H32 62 1 1 {} {0.530540500005 0.442105893857 0.218719591141} H33 63 1 1 {} {0.607394547468 0.460197567823 0.170095508558} H34 64 1 1 {} {0.567050779765 0.258966264938 0.375212463323} H35 65 1 1 {} {0.510293668133 0.347652559846 0.357261262681} H36 66 1 1 {} {0.654588359337 0.346837610729 0.413313469359} H37 67 1 1 {} {0.649180845327 0.269365048708 0.287653113886} H38 68 1 1 {} {0.699731770207 0.427677999999 0.294913908045} H39 69 1 1 {} {0.689318459978 0.389859365219 0.197253090017} H40 70 1 1 {} {0.500943060609 0.289713836517 0.18621738484} H41 71 1 1 {} {0.540675618953 0.23107105648 0.193130470134} 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