#MD System 2.0 @Title neb0_image05 @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 {} {0.212839646805 0.527280154032 0.32240745771} C1 1 1 14 {} {0.26677109498 0.490306137463 0.280557359458} Si1 2 1 14 {} {0.166142603351 0.535791849138 0.241411592904} Si2 3 1 8 {} {0.279398210952 0.523486435958 0.182811782772} O1 4 1 8 {} {0.306747285334 0.510585574052 0.351567433881} O2 5 1 6 {} {0.264802784561 0.397119611863 0.273534202913} C2 6 1 6 {} {0.134609015335 0.456066890639 0.223655199487} C3 7 1 8 {} {0.190630286811 0.561603883596 0.147122411198} O3 8 1 8 {} {0.130792081337 0.596930636621 0.268280381763} O4 9 1 14 {} {0.358221697693 0.539493582388 0.356630362436} Si3 10 1 7 {} {0.392999779311 0.476586707282 0.398239493511} N1 11 1 14 {} {0.44731031531 0.475061042334 0.357261426572} Si4 12 1 14 {} {0.372571553425 0.422405271576 0.481106894619} Si5 13 1 7 {} {0.343481781494 0.460216573629 0.566457844112} N2 14 1 7 {} {0.469100764414 0.554656081826 0.363261423449} N3 15 1 1 {} {0.201229727029 0.498678768948 0.380886985663} H1 16 1 1 {} {0.220665792774 0.578108785997 0.34658906564} H2 17 1 1 {} {0.253834218151 0.543506157634 0.152059014755} H3 18 1 1 {} {0.259655117409 0.374164231464 0.339411611745} H4 19 1 1 {} {0.296535282957 0.378119104248 0.246756520585} H5 20 1 1 {} {0.238036263461 0.380014322925 0.228842531067} H6 21 1 1 {} {0.108089820249 0.462237525243 0.17360052456} H7 22 1 1 {} {0.119076234589 0.438305127858 0.285829234551} H8 23 1 1 {} {0.157019681203 0.416265682102 0.200025014433} H9 24 1 1 {} {0.172163459283 0.584697464345 0.103901443902} H10 25 1 1 {} {0.102422368554 0.58458023299 0.294372165338} H11 26 1 1 {} {0.374622840101 0.559470973091 0.266720072708} H12 27 1 1 {} {0.357098630548 0.598349914813 0.417687004108} H13 28 1 1 {} {0.471443281726 0.422653785708 0.410028087118} H14 29 1 1 {} {0.449530939967 0.45771129044 0.26063204527} H15 30 1 1 {} {0.341108771844 0.373224240773 0.44078819372} H16 31 1 1 {} {0.41206138949 0.388150029491 0.520356185449} H17 32 1 1 {} {0.311854760543 0.476684481317 0.555525471023} H18 33 1 1 {} {0.359486649291 0.490581177922 0.610468418651} H19 34 1 1 {} {0.492258423434 0.569717830446 0.317571064536} H20 35 1 1 {} {0.475030508152 0.576947702034 0.423220423934} H21 36 1 6 {} {0.647358351212 0.6385180212 0.490258422799} C4 37 1 14 {} {0.607901654841 0.574691091612 0.442516365487} Si6 38 1 14 {} {0.645004118927 0.725192820379 0.445465288939} Si7 39 1 8 {} {0.605548526161 0.582959001184 0.332702840803} O5 40 1 8 {} {0.627536789281 0.499996515283 0.466636707965} O6 41 1 6 {} {0.550934283886 0.580787622 0.491789524106} C5 42 1 6 {} {0.597418852833 0.775634621339 0.490148515498} C6 43 1 8 {} {0.640660285487 0.714420398448 0.334962134716} O7 44 1 8 {} {0.692619607054 0.766521335633 0.461100260664} O8 45 1 14 {} {0.638154133818 0.422040563303 0.43874347005} Si8 46 1 7 {} {0.592853512609 0.369907160031 0.456914965118} N4 47 1 14 {} {0.573292297827 0.320639366465 0.368383955109} Si9 48 1 14 {} {0.568152640027 0.366589481934 0.563285493418} Si10 49 1 7 {} {0.603392356674 0.385348058285 0.650337594936} N5 50 1 7 {} {0.608312374845 0.257982269815 0.33109159599} N6 51 1 1 {} {0.643216332223 0.640070774732 0.563376055062} H22 52 1 1 {} {0.681413587487 0.619729839223 0.477841798985} H23 53 1 1 {} {0.617901031912 0.625357213279 0.310902253526} H24 54 1 1 {} {0.550976196354 0.570908983067 0.563608986074} H25 55 1 1 {} {0.529001587566 0.543876466632 0.45990294072} H26 56 1 1 {} {0.536363152452 0.630844374523 0.480608369711} H27 57 1 1 {} {0.596662185551 0.82605650144 0.460772555218} H28 58 1 1 {} {0.599474037507 0.781147296376 0.563091703702} H29 59 1 1 {} {0.565344618306 0.751460750769 0.474951872434} H30 60 1 1 {} {0.6487200477 0.75181814824 0.297016255832} H31 61 1 1 {} {0.692961598185 0.801576796136 0.505723550986} H32 62 1 1 {} {0.6497209428 0.417018152942 0.342011319726} H33 63 1 1 {} {0.677358098712 0.401697471484 0.49354819243} H34 64 1 1 {} {0.531517290021 0.288660934501 0.401234572043} H35 65 1 1 {} {0.565121076607 0.363539310811 0.288770737684} H36 66 1 1 {} {0.530995331674 0.415971824112 0.569583717276} H37 67 1 1 {} {0.550965579422 0.297167705273 0.575084543245} H38 68 1 1 {} {0.609960885951 0.433927641617 0.66527899576} H39 69 1 1 {} {0.630399601514 0.356227221499 0.663427279395} H40 70 1 1 {} {0.632947059498 0.269040770157 0.286834460305} H41 71 1 1 {} {0.617874767423 0.220217186393 0.372324490128} 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