#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 {} {0.213642659696 0.527216866647 0.323051406609} C1 1 1 14 {} {0.267439396912 0.489897054362 0.281683804097} Si1 2 1 14 {} {0.166960401692 0.535460855551 0.242399206252} Si2 3 1 8 {} {0.279970338033 0.521717107807 0.182945433679} O1 4 1 8 {} {0.306985871336 0.511108777675 0.352964058883} O2 5 1 6 {} {0.265485416332 0.396658115171 0.275115037322} C2 6 1 6 {} {0.135439183952 0.455772043796 0.224753777996} C3 7 1 8 {} {0.191193312015 0.561887463016 0.148216178576} O3 8 1 8 {} {0.131549117094 0.596038032382 0.270566718625} O4 9 1 14 {} {0.358571113255 0.539593032254 0.357854856397} Si3 10 1 7 {} {0.392499613716 0.475534734572 0.398485030815} N1 11 1 14 {} {0.445558886283 0.473530241736 0.351781086431} Si4 12 1 14 {} {0.373067279469 0.421830359918 0.482515506354} Si5 13 1 7 {} {0.343942230161 0.459792853815 0.568117141646} N2 14 1 7 {} {0.461387708695 0.557195612436 0.34809281246} N3 15 1 1 {} {0.202076148379 0.498735668233 0.381669762807} H1 16 1 1 {} {0.221681852241 0.578033370292 0.347046989125} H2 17 1 1 {} {0.254874163693 0.543205446133 0.152747296563} H3 18 1 1 {} {0.260197541699 0.373421597048 0.340709932059} H4 19 1 1 {} {0.297151541092 0.377497318066 0.248299524748} H5 20 1 1 {} {0.238699113874 0.379974947189 0.230184593776} H6 21 1 1 {} {0.10891855028 0.462301902346 0.174774157425} H7 22 1 1 {} {0.11979396723 0.438369757797 0.287029061133} H8 23 1 1 {} {0.15758179942 0.41559385083 0.201227971455} H9 24 1 1 {} {0.172430795872 0.584885605257 0.105160126978} H10 25 1 1 {} {0.103135831926 0.583361005014 0.296328602759} H11 26 1 1 {} {0.37487465176 0.559358548782 0.268253222546} H12 27 1 1 {} {0.3578602612 0.598162309142 0.419411082437} H13 28 1 1 {} {0.472173299645 0.42620959421 0.407901430817} H14 29 1 1 {} {0.448611694951 0.451261034822 0.257211565148} H15 30 1 1 {} {0.341568478843 0.372312397979 0.442539031503} H16 31 1 1 {} {0.412835238962 0.387940435147 0.52128537672} H17 32 1 1 {} {0.312443357929 0.476534054616 0.556688267161} H18 33 1 1 {} {0.359881852242 0.490805036362 0.611703207384} H19 34 1 1 {} {0.490279600646 0.566358182623 0.314987342635} H20 35 1 1 {} {0.463034736494 0.579447889678 0.409795308639} H21 36 1 6 {} {0.649636163418 0.639861174932 0.489032227197} C4 37 1 14 {} {0.60988913048 0.576151120327 0.445036100995} Si6 38 1 14 {} {0.644855924234 0.72601476202 0.443680039312} Si7 39 1 8 {} {0.602550695749 0.584405548149 0.336465247427} O5 40 1 8 {} {0.628508892446 0.500419039646 0.465649151772} O6 41 1 6 {} {0.555355779493 0.581951333889 0.502018265068} C5 42 1 6 {} {0.596845448248 0.775925472093 0.488848090726} C6 43 1 8 {} {0.640090358785 0.71477553038 0.333478584162} O7 44 1 8 {} {0.692322085776 0.768211782002 0.458877289862} O8 45 1 14 {} {0.637816854942 0.422216092634 0.438307522566} Si8 46 1 7 {} {0.592119491795 0.369974242418 0.45499614924} N4 47 1 14 {} {0.572670707854 0.321030474514 0.367576085471} Si9 48 1 14 {} {0.567227722353 0.366581097918 0.562105047538} Si10 49 1 7 {} {0.603361930897 0.385732430708 0.648918227438} N5 50 1 7 {} {0.60694163965 0.258001806172 0.328861118429} N6 51 1 1 {} {0.643874242541 0.640677402943 0.561652134476} H22 52 1 1 {} {0.683994802009 0.622488873107 0.477190909495} H23 53 1 1 {} {0.616086515417 0.624593358365 0.310641394224} H24 54 1 1 {} {0.555567675613 0.57582945442 0.574855335473} H25 55 1 1 {} {0.537958887369 0.539213267693 0.472390076387} H26 56 1 1 {} {0.537903798636 0.628419101103 0.48483685645} H27 57 1 1 {} {0.595975107011 0.82639645996 0.459382066657} H28 58 1 1 {} {0.598865875224 0.781628268366 0.561820268004} H29 59 1 1 {} {0.564702183327 0.75187918319 0.473788024998} H30 60 1 1 {} {0.648034528862 0.751817587783 0.294938896266} H31 61 1 1 {} {0.692469875921 0.802411810253 0.504421023391} H32 62 1 1 {} {0.648991084689 0.417323224922 0.340787148228} H33 63 1 1 {} {0.676970547037 0.401910468072 0.492673422125} H34 64 1 1 {} {0.530745278051 0.289059986748 0.400504542188} H35 65 1 1 {} {0.564391866254 0.363958592689 0.287743423665} H36 66 1 1 {} {0.530045597003 0.415587610974 0.569769604568} H37 67 1 1 {} {0.550380430894 0.296897577944 0.57383703638} H38 68 1 1 {} {0.608802214472 0.43378942145 0.664043573129} H39 69 1 1 {} {0.629442597503 0.356562323135 0.66229043904} H40 70 1 1 {} {0.631847326766 0.269065923945 0.284959561422} H41 71 1 1 {} {0.616637556684 0.21953802739 0.369937376949} 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