#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 {} {0.213849032251 0.527283721354 0.32333035269} C1 1 1 14 {} {0.267563437139 0.489870951188 0.282086322579} Si1 2 1 14 {} {0.167213159902 0.535295774679 0.242538748819} Si2 3 1 8 {} {0.280027828881 0.521294299726 0.183189922111} O1 4 1 8 {} {0.307269450367 0.511075807032 0.353083648202} O2 5 1 6 {} {0.265647640351 0.396714434127 0.275391597074} C2 6 1 6 {} {0.135606142327 0.455666292205 0.225072332752} C3 7 1 8 {} {0.191340967838 0.561974196333 0.148492930136} O3 8 1 8 {} {0.131791021413 0.595658615341 0.271025146275} O4 9 1 14 {} {0.358775756548 0.539614872837 0.358350512688} Si3 10 1 7 {} {0.392448112112 0.47548317569 0.399318241094} N1 11 1 14 {} {0.444713865583 0.472645812676 0.350692234149} Si4 12 1 14 {} {0.373149360199 0.421799710837 0.483380456186} Si5 13 1 7 {} {0.344004833017 0.459712183945 0.568666101978} N2 14 1 7 {} {0.458227617315 0.558175397381 0.344068078952} N3 15 1 1 {} {0.202262010884 0.498652491591 0.381773746543} H1 16 1 1 {} {0.221958646312 0.578094635479 0.347201365679} H2 17 1 1 {} {0.255125238732 0.543234572251 0.152845218864} H3 18 1 1 {} {0.260391636525 0.373254909806 0.340793514672} H4 19 1 1 {} {0.29729109775 0.377337280749 0.24876899126} H5 20 1 1 {} {0.238847909648 0.379999626149 0.230530825638} H6 21 1 1 {} {0.109105288695 0.46240682103 0.175055822792} H7 22 1 1 {} {0.119936714272 0.438371590553 0.287427381269} H8 23 1 1 {} {0.157765814217 0.415524435195 0.201532976411} H9 24 1 1 {} {0.172522735205 0.584909847862 0.105431046082} H10 25 1 1 {} {0.103309099163 0.583247125258 0.296725830048} H11 26 1 1 {} {0.375132786416 0.559367009307 0.26893546392} H12 27 1 1 {} {0.358044975616 0.598110409463 0.419594883224} H13 28 1 1 {} {0.472356311497 0.42637551868 0.40823209555} H14 29 1 1 {} {0.449067047699 0.451064914306 0.256736938374} H15 30 1 1 {} {0.34188343948 0.372482876926 0.442593061756} H16 31 1 1 {} {0.413103903993 0.387861553781 0.521333610404} H17 32 1 1 {} {0.312617384522 0.476527284968 0.556899760761} H18 33 1 1 {} {0.359983043313 0.490838084755 0.611913091151} H19 34 1 1 {} {0.490542091038 0.565754900602 0.315108312105} H20 35 1 1 {} {0.460472674961 0.579153558343 0.40608488281} H21 36 1 6 {} {0.649546931673 0.640204319363 0.488509842195} C4 37 1 14 {} {0.610520760471 0.57667813281 0.445614843611} Si6 38 1 14 {} {0.644648341317 0.726221425105 0.443315850426} Si7 39 1 8 {} {0.601837171893 0.584569361457 0.336255242844} O5 40 1 8 {} {0.628205428343 0.50037976093 0.465305239738} O6 41 1 6 {} {0.557211156296 0.583321835272 0.505334875482} C5 42 1 6 {} {0.596674541892 0.776062137657 0.488660038593} C6 43 1 8 {} {0.639867151044 0.714675167663 0.333046537342} O7 44 1 8 {} {0.692072119113 0.768030400754 0.4586797565} O8 45 1 14 {} {0.637545091916 0.422262795696 0.437954159687} Si8 46 1 7 {} {0.592060664995 0.37004748048 0.455273142002} N4 47 1 14 {} {0.572681710657 0.320694195433 0.367442580325} Si9 48 1 14 {} {0.566770469075 0.366666072737 0.5610548234} Si10 49 1 7 {} {0.60299418265 0.385563963006 0.64753442856} N5 50 1 7 {} {0.606724543874 0.257710659854 0.328164419684} N6 51 1 1 {} {0.643401110658 0.640476714268 0.561017499883} H22 52 1 1 {} {0.683685785818 0.622472545287 0.476575920764} H23 53 1 1 {} {0.615983100517 0.624546108635 0.310214402074} H24 54 1 1 {} {0.555682761927 0.576170644466 0.577932488866} H25 55 1 1 {} {0.542214192314 0.538095199171 0.474420157749} H26 56 1 1 {} {0.538430256409 0.628482591224 0.485050658551} H27 57 1 1 {} {0.595772493942 0.826443933471 0.459003906695} H28 58 1 1 {} {0.598647097178 0.781708457039 0.561641788787} H29 59 1 1 {} {0.564523334957 0.752085874869 0.473581484412} H30 60 1 1 {} {0.647882087618 0.751783838408 0.294660182089} H31 61 1 1 {} {0.692265823087 0.802276531434 0.503969741305} H32 62 1 1 {} {0.648799650391 0.417529736233 0.340466202056} H33 63 1 1 {} {0.676807008539 0.402275905029 0.492569843254} H34 64 1 1 {} {0.530679324382 0.289313538339 0.400205343928} H35 65 1 1 {} {0.564229210375 0.363945309282 0.287764856647} H36 66 1 1 {} {0.529763444064 0.415722075674 0.570201377883} H37 67 1 1 {} {0.550259575294 0.296681073403 0.573820889354} H38 68 1 1 {} {0.608636784321 0.434097832209 0.663906617383} H39 69 1 1 {} {0.629498345242 0.356437703257 0.662378384998} H40 70 1 1 {} {0.631509277914 0.269169158901 0.284696927916} H41 71 1 1 {} {0.616298814704 0.219665766999 0.369378334523} 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