#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 {} {0.220654223513 0.525849293024 0.335086094047} C1 1 1 14 {} {0.274618968578 0.488855387356 0.293248220367} Si1 2 1 14 {} {0.173972675215 0.534352753822 0.254084632937} Si2 3 1 8 {} {0.287213474581 0.522055483933 0.195467965598} O1 4 1 8 {} {0.314571292694 0.509183740208 0.364203193322} O2 5 1 6 {} {0.272626663346 0.395679178459 0.286202709839} C2 6 1 6 {} {0.14242713948 0.454633502309 0.236329635658} C3 7 1 8 {} {0.198463403798 0.560185939304 0.159787652302} O3 8 1 8 {} {0.138611916622 0.595486724251 0.280947430395} O4 9 1 14 {} {0.366044275083 0.537970927547 0.369328019009} Si3 10 1 7 {} {0.40092975278 0.47518024282 0.41082322419} N1 11 1 14 {} {0.454602962023 0.473311445074 0.369424753815} Si4 12 1 14 {} {0.38030291284 0.421098687047 0.494034528444} Si5 13 1 7 {} {0.35132796087 0.458705746533 0.579062616278} N2 14 1 7 {} {0.475156264766 0.55278760981 0.37361170867} N3 15 1 1 {} {0.20905272988 0.497241847765 0.393556779116} H1 16 1 1 {} {0.228488085701 0.576671467777 0.359259104361} H2 17 1 1 {} {0.261656095683 0.542067379155 0.164727226175} H3 18 1 1 {} {0.267476790426 0.372729244199 0.352080980413} H4 19 1 1 {} {0.304355243965 0.376683134543 0.259426389015} H5 20 1 1 {} {0.245858598811 0.378577008193 0.241509644976} H6 21 1 1 {} {0.115911139814 0.460800391399 0.186267692392} H7 22 1 1 {} {0.12689718333 0.436868682287 0.298497759538} H8 23 1 1 {} {0.16484070772 0.41482976664 0.212694849927} H9 24 1 1 {} {0.179985018963 0.583259633639 0.116569999219} H10 25 1 1 {} {0.110243515054 0.583141627933 0.307041468094} H11 26 1 1 {} {0.382448193679 0.558048542102 0.279383629612} H12 27 1 1 {} {0.364924626828 0.596924404391 0.430353452071} H13 28 1 1 {} {0.479287154265 0.421365792819 0.422641628811} H14 29 1 1 {} {0.457392194847 0.456255026257 0.273299888904} H15 30 1 1 {} {0.348938677557 0.371780635538 0.453436321327} H16 31 1 1 {} {0.419901870186 0.386705241162 0.532993542371} H17 32 1 1 {} {0.3196965805 0.475241601424 0.568183642486} H18 33 1 1 {} {0.367299236001 0.489132292714 0.623108844197} H19 34 1 1 {} {0.49999831433 0.568393272005 0.330124342364} H20 35 1 1 {} {0.481546876522 0.575976549743 0.434602068782} H21 36 1 6 {} {0.639578944623 0.639952177114 0.477543113954} C4 37 1 14 {} {0.600170828833 0.576197532026 0.430280449693} Si6 38 1 14 {} {0.637197846768 0.72662445448 0.432809860321} Si7 39 1 8 {} {0.597641551461 0.584372161662 0.320005509582} O5 40 1 8 {} {0.619699410349 0.501513706373 0.453964262504} O6 41 1 6 {} {0.544539244612 0.582560489323 0.481147028256} C5 42 1 6 {} {0.589597088676 0.777073308398 0.477465492407} C6 43 1 8 {} {0.632849410579 0.715837029247 0.322280015594} O7 44 1 8 {} {0.684788745468 0.767957726295 0.448428051214} O8 45 1 14 {} {0.630301289075 0.423346540332 0.426013260863} Si8 46 1 7 {} {0.585052003535 0.371476205518 0.444567901369} N4 47 1 14 {} {0.565586770801 0.321783890337 0.355584451162} Si9 48 1 14 {} {0.560198121768 0.367978081888 0.550149402527} Si10 49 1 7 {} {0.595670545888 0.386804564634 0.637766475078} N5 50 1 7 {} {0.600423238181 0.259491155771 0.318408672363} N6 51 1 1 {} {0.635382720189 0.641499038818 0.550684232567} H22 52 1 1 {} {0.673604573265 0.621181144718 0.465169897471} H23 53 1 1 {} {0.610081294251 0.626824269162 0.298220838224} H24 54 1 1 {} {0.543304513045 0.572459115199 0.551209738214} H25 55 1 1 {} {0.522930425799 0.544802278017 0.448683316823} H26 56 1 1 {} {0.528640593315 0.632326007733 0.468022024405} H27 57 1 1 {} {0.588838218751 0.827493100042 0.448105271731} H28 58 1 1 {} {0.591650584247 0.782584282216 0.55042088067} H29 59 1 1 {} {0.557519273304 0.75290159936 0.462285425054} H30 60 1 1 {} {0.640896074033 0.753257577177 0.284344216185} H31 61 1 1 {} {0.685139003908 0.803017750678 0.493053229445} H32 62 1 1 {} {0.64190054421 0.418470676725 0.329358138658} H33 63 1 1 {} {0.669538839946 0.403152360554 0.480899699686} H34 64 1 1 {} {0.523685133671 0.290120585079 0.388593681134} H35 65 1 1 {} {0.557288252059 0.365008838887 0.276113591493} H36 66 1 1 {} {0.523223864892 0.417390177314 0.557064615537} H37 67 1 1 {} {0.543147424736 0.298616478887 0.562473905886} H38 68 1 1 {} {0.602135303234 0.435393487463 0.652658820789} H39 69 1 1 {} {0.622598064985 0.357642695891 0.65079448708} H40 70 1 1 {} {0.625111298038 0.270481569729 0.274202068473} H41 71 1 1 {} {0.610044098332 0.221680694064 0.359634459662} 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