#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 {} {0.210268684029 0.527763348969 0.318219030676} C1 1 1 14 {} {0.264193484539 0.490775968405 0.276422043947} Si1 2 1 14 {} {0.163581109348 0.536259713379 0.237232133944} Si2 3 1 8 {} {0.276787165753 0.523858065229 0.178603509735} O1 4 1 8 {} {0.304172579703 0.511058497909 0.34735605081} O2 5 1 6 {} {0.262237472185 0.397601136844 0.269386418572} C2 6 1 6 {} {0.132038196181 0.456546039247 0.219504796914} C3 7 1 8 {} {0.188079458315 0.562077151743 0.142943667904} O3 8 1 8 {} {0.128236410194 0.597367181668 0.264176397117} O4 9 1 14 {} {0.355654464502 0.539998922067 0.352487150782} Si3 10 1 7 {} {0.390373448351 0.477073456963 0.394133012976} N1 11 1 14 {} {0.444696317487 0.475406096089 0.353065445963} Si4 12 1 14 {} {0.370021968742 0.422865212896 0.476917996278} Si5 13 1 7 {} {0.340895351666 0.460672241057 0.562291134742} N2 14 1 7 {} {0.466478863886 0.555215127511 0.358906731343} N3 15 1 1 {} {0.198663420582 0.499147263821 0.376698503429} H1 16 1 1 {} {0.21811432137 0.578591487024 0.342400683102} H2 17 1 1 {} {0.251264423075 0.543988864485 0.147859464487} H3 18 1 1 {} {0.257081611539 0.37461175082 0.335220186424} H4 19 1 1 {} {0.293953774119 0.378564508679 0.242627881513} H5 20 1 1 {} {0.23546577558 0.380490434256 0.224696440758} H6 21 1 1 {} {0.10552290835 0.462729537024 0.169439469982} H7 22 1 1 {} {0.116500049389 0.438787955838 0.281683834805} H8 23 1 1 {} {0.154441981908 0.416738900123 0.19587584794} H9 24 1 1 {} {0.169582963611 0.585182170151 0.0997442404048} H10 25 1 1 {} {0.0998487896308 0.585026103681 0.290236233134} H11 26 1 1 {} {0.372051002819 0.559949527863 0.262619865717} H12 27 1 1 {} {0.354532188574 0.598820003768 0.413528300241} H13 28 1 1 {} {0.468863603374 0.423180907428 0.405803097977} H14 29 1 1 {} {0.446949566967 0.458125425616 0.256417662252} H15 30 1 1 {} {0.338548329167 0.373709243481 0.436621422491} H16 31 1 1 {} {0.409499248181 0.388613456945 0.516173975253} H17 32 1 1 {} {0.309279132048 0.477153876257 0.551362664591} H18 33 1 1 {} {0.356897770326 0.491060112093 0.60630020701} H19 34 1 1 {} {0.489645720566 0.570120267797 0.313486824565} H20 35 1 1 {} {0.472338393259 0.57739698328 0.418784523166} H21 36 1 6 {} {0.649948909941 0.638072542923 0.494442849379} C4 37 1 14 {} {0.610516168435 0.574256146338 0.446614182162} Si6 38 1 14 {} {0.64756864641 0.72470712572 0.449593423439} Si7 39 1 8 {} {0.608067746169 0.582528259901 0.336910247285} O5 40 1 8 {} {0.630167621864 0.499490242962 0.470834880452} O6 41 1 6 {} {0.553554679988 0.580450119828 0.496010036171} C5 42 1 6 {} {0.599984445568 0.775176363953 0.494303828439} C6 43 1 8 {} {0.643294432135 0.713945019494 0.339123100687} O7 44 1 8 {} {0.695167627522 0.766084787961 0.465256414175} O8 45 1 14 {} {0.640747308563 0.421600703308 0.442953479495} Si8 46 1 7 {} {0.595402815153 0.369436329208 0.461061907801} N4 47 1 14 {} {0.575852824367 0.320199497669 0.372514444294} Si9 48 1 14 {} {0.570733868537 0.366113295054 0.5675411506} Si10 49 1 7 {} {0.605952559648 0.384864270709 0.654512768896} N5 50 1 7 {} {0.610887734964 0.257513457258 0.335224013944} N6 51 1 1 {} {0.64579879327 0.639597164566 0.567516400696} H22 52 1 1 {} {0.684004034646 0.619296846582 0.481997399618} H23 53 1 1 {} {0.620454128003 0.624850837707 0.315070872521} H24 54 1 1 {} {0.553571493433 0.570473742259 0.568088583346} H25 55 1 1 {} {0.531715449358 0.543307335823 0.464175620098} H26 56 1 1 {} {0.538986094202 0.630293555023 0.484847849581} H27 57 1 1 {} {0.599228869636 0.825607626488 0.464910159292} H28 58 1 1 {} {0.602038912345 0.780687464809 0.567250037517} H29 59 1 1 {} {0.567914546573 0.751013969017 0.479118628424} H30 60 1 1 {} {0.65129298667 0.751345029515 0.301155667262} H31 61 1 1 {} {0.695533467764 0.801117309263 0.50988215054} H32 62 1 1 {} {0.652289505354 0.416561555993 0.34619108834} H33 63 1 1 {} {0.679943058309 0.401231365296 0.497739205667} H34 64 1 1 {} {0.534086476188 0.288201901546 0.40537491828} H35 65 1 1 {} {0.567683987556 0.363060690504 0.292927179249} H36 66 1 1 {} {0.533543632868 0.415490739265 0.573763065389} H37 67 1 1 {} {0.553545974 0.29666756997 0.579228189696} H38 68 1 1 {} {0.612532284023 0.433463881221 0.669417522031} H39 69 1 1 {} {0.632975668899 0.355770316228 0.66760321803} H40 70 1 1 {} {0.635504087615 0.268573546874 0.290962360618} H41 71 1 1 {} {0.620427060357 0.219725392005 0.376464430965} 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