#MD System 2.0 @Title neb0_image03 @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 {} {0.207730542655 0.528225551227 0.314042822963} C1 1 1 14 {} {0.261642483191 0.491191058352 0.272235762566} Si1 2 1 14 {} {0.161046940074 0.536697515939 0.233058097027} Si2 3 1 8 {} {0.274164316607 0.524101447333 0.174266759988} O1 4 1 8 {} {0.301611990516 0.511495981531 0.34306213566} O2 5 1 6 {} {0.259627241155 0.398017340811 0.265302923569} C2 6 1 6 {} {0.129451222222 0.457025326148 0.215285388058} C3 7 1 8 {} {0.185528426686 0.562550169992 0.138768938857} O3 8 1 8 {} {0.125724439991 0.597835848884 0.260136493074} O4 9 1 14 {} {0.353120695506 0.540464803646 0.34839913156} Si3 10 1 7 {} {0.387818614825 0.477518031331 0.390038058942} N1 11 1 14 {} {0.442149120027 0.475885876562 0.348777416337} Si4 12 1 14 {} {0.367439841718 0.423342258625 0.472777052189} Si5 13 1 7 {} {0.33829005503 0.461080470094 0.558157533979} N2 14 1 7 {} {0.463895145641 0.555762727387 0.354577211407} N3 15 1 1 {} {0.1960922607 0.499638692323 0.372506359764} H1 16 1 1 {} {0.215573297437 0.579085947368 0.338133318665} H2 17 1 1 {} {0.248703403259 0.544471194343 0.14361257822} H3 18 1 1 {} {0.254468022006 0.374985375437 0.331116714431} H4 19 1 1 {} {0.29135280261 0.378995838557 0.238524859983} H5 20 1 1 {} {0.232860965546 0.380994870184 0.220553123513} H6 21 1 1 {} {0.102943910191 0.463263131122 0.165232811792} H7 22 1 1 {} {0.113898930612 0.439325698882 0.277479835173} H8 23 1 1 {} {0.151837280942 0.417178385167 0.191699416035} H9 24 1 1 {} {0.166998318695 0.585666629685 0.0956332071595} H10 25 1 1 {} {0.0973125799334 0.585447622243 0.286081969247} H11 26 1 1 {} {0.369518384757 0.560506973391 0.258541661506} H12 27 1 1 {} {0.351953607095 0.599347732759 0.409485511623} H13 28 1 1 {} {0.466278772216 0.423593899795 0.40151992458} H14 29 1 1 {} {0.444318863217 0.458406163012 0.251994113534} H15 30 1 1 {} {0.335998335141 0.374175372327 0.432419170898} H16 31 1 1 {} {0.406937178462 0.389054407916 0.511957435457} H17 32 1 1 {} {0.306690279354 0.477590254356 0.547133021937} H18 33 1 1 {} {0.354282616977 0.491574586043 0.60209677314} H19 34 1 1 {} {0.487107441191 0.570472530876 0.309092402295} H20 35 1 1 {} {0.469588228223 0.577891973811 0.414586158545} H21 36 1 6 {} {0.652586500148 0.63767224518 0.498595653434} C4 37 1 14 {} {0.613126491627 0.573867796438 0.450838531793} Si6 38 1 14 {} {0.650178517867 0.72431302245 0.453725543941} Si7 39 1 8 {} {0.610518011109 0.582138310799 0.341202588149} O5 40 1 8 {} {0.63287026155 0.499086353374 0.475024071282} O6 41 1 6 {} {0.556165086401 0.579911629309 0.500389716091} C5 42 1 6 {} {0.602571548743 0.77472269339 0.498469087072} C6 43 1 8 {} {0.646052296044 0.713416640172 0.343234654356} O7 44 1 8 {} {0.697774361119 0.765688322964 0.46944894437} O8 45 1 14 {} {0.643325619958 0.421157936875 0.447101155376} Si8 46 1 7 {} {0.598022149131 0.36904085871 0.465487516551} N4 47 1 14 {} {0.578434166081 0.319661149826 0.376616846254} Si9 48 1 14 {} {0.573161225266 0.365517842977 0.571346161351} Si10 49 1 7 {} {0.608664260026 0.384462265403 0.658704560428} N5 50 1 7 {} {0.613327577133 0.257074479862 0.339261785182} N6 51 1 1 {} {0.648395187402 0.639137672031 0.571664279741} H22 52 1 1 {} {0.686651646239 0.618957952564 0.486131836291} H23 53 1 1 {} {0.622995085286 0.624342049994 0.319201850217} H24 54 1 1 {} {0.55618960492 0.570138960841 0.572528620129} H25 55 1 1 {} {0.534364048651 0.542692319192 0.468517011617} H26 56 1 1 {} {0.541570384662 0.6297666953 0.489121648704} H27 57 1 1 {} {0.601795050039 0.825139035979 0.469067670309} H28 58 1 1 {} {0.604611788307 0.780262909291 0.57141104822} H29 59 1 1 {} {0.570489467663 0.750578731635 0.483322739687} H30 60 1 1 {} {0.653888003863 0.750894370498 0.30524401779} H31 61 1 1 {} {0.698090244871 0.800705722362 0.514057069001} H32 62 1 1 {} {0.654834011748 0.416118601433 0.350449225362} H33 63 1 1 {} {0.682528591072 0.400803877908 0.501988787073} H34 64 1 1 {} {0.536630219636 0.287829191662 0.409611975668} H35 65 1 1 {} {0.57023835286 0.362622237452 0.297200841399} H36 66 1 1 {} {0.536062047779 0.414949078578 0.578130923413} H37 67 1 1 {} {0.556161213797 0.296116711817 0.583507241058} H38 68 1 1 {} {0.615039497903 0.432962348596 0.673566730813} H39 69 1 1 {} {0.635499850588 0.355371997113 0.671830389807} H40 70 1 1 {} {0.637992949585 0.268130469097 0.295028531608} H41 71 1 1 {} {0.622915991731 0.219188742464 0.380492764402} 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