#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 {} {0.365660488296 0.565842428182 0.412462949432} C1 1 1 14 {} {0.342308964324 0.539149893504 0.523170082573} Si1 2 1 14 {} {0.42743858541 0.576469236234 0.408044813142} Si2 3 1 8 {} {0.355535607629 0.59591804211 0.599195922482} O1 4 1 8 {} {0.287448319206 0.537333857622 0.516197000198} O2 5 1 6 {} {0.361330573923 0.453941688463 0.557889571835} C2 6 1 6 {} {0.458552642983 0.496169494037 0.393428050365} C3 7 1 8 {} {0.440220917793 0.611719670279 0.507027452996} O3 8 1 8 {} {0.440261021494 0.628209330249 0.324857211002} O4 9 1 14 {} {0.236925443001 0.54178754523 0.557493510495} Si3 10 1 7 {} {0.217293769839 0.463819152614 0.591622349201} N1 11 1 14 {} {0.194812950617 0.455559074028 0.698952099346} Si4 12 1 14 {} {0.217842271741 0.396176345854 0.516551081005} Si5 13 1 7 {} {0.211789257148 0.417486010488 0.406224154946} N2 14 1 7 {} {0.144400515289 0.49455280521 0.719180351937} N3 15 1 1 {} {0.355650475904 0.530066245718 0.360183587845} H1 16 1 1 {} {0.350029113209 0.61415271877 0.395481471314} H2 17 1 1 {} {0.385385710159 0.614329463061 0.58956049133} H3 18 1 1 {} {0.352589818514 0.415376067863 0.508527257853} H4 19 1 1 {} {0.34559664276 0.44015678234 0.621576728982} H5 20 1 1 {} {0.397646523088 0.452740231691 0.567833403602} H6 21 1 1 {} {0.494372873272 0.505926162329 0.390262531304} H7 22 1 1 {} {0.448925820034 0.472099335075 0.330400153938} H8 23 1 1 {} {0.45236524434 0.460798888216 0.447906154155} H9 24 1 1 {} {0.470974955386 0.626136048582 0.513155173043} H10 25 1 1 {} {0.472168400778 0.630556595637 0.313555509421} H11 26 1 1 {} {0.235251566895 0.586125431256 0.637711347399} H12 27 1 1 {} {0.20811578124 0.570060878348 0.485794937223} H13 28 1 1 {} {0.18811789764 0.38243103769 0.713343866167} H14 29 1 1 {} {0.226369423769 0.484717981936 0.765106842678} H15 30 1 1 {} {0.261152755964 0.359598961949 0.522370972151} H16 31 1 1 {} {0.180267979398 0.351419057757 0.543144533676} H17 32 1 1 {} {0.238773215828 0.431967585367 0.370061375067} H18 33 1 1 {} {0.183751074693 0.440697456329 0.38392298834} H19 34 1 1 {} {0.143623540857 0.54414149817 0.734220804074} H20 35 1 1 {} {0.116362486161 0.480821652229 0.685650816892} H21 36 1 6 {} {0.62515126537 0.626861274094 0.350491280092} C4 37 1 14 {} {0.582260424587 0.564294467722 0.38795158925} Si6 38 1 14 {} {0.619548080052 0.715364870313 0.387010502718} Si7 39 1 8 {} {0.532018458144 0.600502013823 0.382485374461} O5 40 1 8 {} {0.582845805719 0.499888235788 0.320821876752} O6 41 1 6 {} {0.593101776357 0.532405746957 0.502790115903} C5 42 1 6 {} {0.637663229037 0.732392740485 0.504196244338} C6 43 1 8 {} {0.564639589153 0.730153409192 0.375456741924} O7 44 1 8 {} {0.64734748393 0.764635491165 0.317189754427} O8 45 1 14 {} {0.576393562362 0.43950676348 0.247826603315} Si8 46 1 7 {} {0.588929440131 0.361369402146 0.290881255705} N4 47 1 14 {} {0.545317828613 0.305120626593 0.314479381054} Si9 48 1 14 {} {0.643502379685 0.336027796688 0.316176273069} Si10 49 1 7 {} {0.68458321519 0.38217982512 0.265016724906} N5 50 1 7 {} {0.521320603541 0.261903079454 0.227447750149} N6 51 1 1 {} {0.658558129462 0.608527881727 0.369293286701} H22 52 1 1 {} {0.624421283847 0.627659055157 0.276855745612} H23 53 1 1 {} {0.534226016841 0.649167877434 0.377655910021} H24 54 1 1 {} {0.625234670924 0.505838177526 0.505480966515} H25 55 1 1 {} {0.567021485856 0.496854007853 0.523139205396} H26 56 1 1 {} {0.59403898739 0.572913168877 0.55242030038} H27 57 1 1 {} {0.632406316653 0.785179977042 0.522391784972} H28 58 1 1 {} {0.673257932122 0.721007608443 0.513591001298} H29 59 1 1 {} {0.618688630386 0.701851303928 0.551980121881} H30 60 1 1 {} {0.554227371891 0.776051357387 0.372601306929} H31 61 1 1 {} {0.665199087676 0.80042012197 0.3422811445} H32 62 1 1 {} {0.528798276617 0.437567766846 0.219174335698} H33 63 1 1 {} {0.605651260837 0.455546319524 0.170403938882} H34 64 1 1 {} {0.565278974157 0.254387381081 0.375573568248} H35 65 1 1 {} {0.508567528684 0.343076743795 0.357639038339} H36 66 1 1 {} {0.652773578822 0.342114324721 0.413638492951} H37 67 1 1 {} {0.647268984638 0.264627368588 0.288061106402} H38 68 1 1 {} {0.697770936988 0.423042073853 0.295328753585} H39 69 1 1 {} {0.687530562172 0.385212345424 0.197657369795} H40 70 1 1 {} {0.499233623004 0.285294031799 0.186509684108} H41 71 1 1 {} {0.538832914216 0.226536961439 0.193585543789} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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