#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 {} {0.352982468409 0.550238467372 0.422163818815} C1 1 1 14 {} {0.333922362265 0.517230060012 0.533253225803} Si1 2 1 14 {} {0.408163878638 0.59247333805 0.417938290113} Si2 3 1 8 {} {0.337177370397 0.577491067237 0.608501775526} O1 4 1 8 {} {0.281010796935 0.49532853876 0.525238702816} O2 5 1 6 {} {0.365559904288 0.441253530877 0.5686568315} C2 6 1 6 {} {0.457234838161 0.534892824984 0.411680942239} C3 7 1 8 {} {0.409827519161 0.636723970615 0.513141270492} O3 8 1 8 {} {0.408487535258 0.643441459124 0.330215931879} O4 9 1 14 {} {0.228674943189 0.500848750459 0.55588097434} Si3 10 1 7 {} {0.209044337216 0.422146302786 0.587313500073} N1 11 1 14 {} {0.172990821189 0.417851709726 0.679119846787} Si4 12 1 14 {} {0.224606507406 0.352152535511 0.52333568963} Si5 13 1 7 {} {0.225815666012 0.36464106489 0.409768396886} N2 14 1 7 {} {0.125478535708 0.466183906519 0.672008288276} N3 15 1 1 {} {0.352534355001 0.509798446953 0.372142905395} H1 16 1 1 {} {0.328008511718 0.587340283026 0.400176552219} H2 17 1 1 {} {0.360959722993 0.60966791152 0.595412075837} H3 18 1 1 {} {0.362226561185 0.400254298614 0.520151099728} H4 19 1 1 {} {0.352894073327 0.423180086599 0.633162943541} H5 20 1 1 {} {0.401271364708 0.452227469173 0.576908353448} H6 21 1 1 {} {0.489037076169 0.56246374994 0.410980510292} H7 22 1 1 {} {0.455805200307 0.504250463248 0.350759156878} H8 23 1 1 {} {0.458149023689 0.500757779883 0.469118181001} H9 24 1 1 {} {0.43503580817 0.6661454872 0.523370948614} H10 25 1 1 {} {0.436863944758 0.652094434944 0.301392106057} H11 26 1 1 {} {0.222908497835 0.54651803058 0.633892077376} H12 27 1 1 {} {0.203174435817 0.527426872513 0.478170306488} H13 28 1 1 {} {0.160121554695 0.346142227079 0.687326659616} H14 29 1 1 {} {0.196037796844 0.442168640386 0.761016578823} H15 30 1 1 {} {0.2705258258 0.330438483086 0.548225867599} H16 31 1 1 {} {0.191480693465 0.29871898366 0.543661331287} H17 32 1 1 {} {0.252293806501 0.388525631064 0.381783073614} H18 33 1 1 {} {0.197349086216 0.375216793248 0.375739655397} H19 34 1 1 {} {0.12530076113 0.513800000079 0.695752564612} H20 35 1 1 {} {0.102816214091 0.460198807533 0.622265023767} H21 36 1 6 {} {0.589013516105 0.332415502424 0.309714883187} C4 37 1 14 {} {0.584252446771 0.365889860837 0.426736911178} Si6 38 1 14 {} {0.57303153484 0.243332264984 0.291727961832} Si7 39 1 8 {} {0.612938758626 0.316872340898 0.494731502895} O5 40 1 8 {} {0.606855368711 0.441010746132 0.431682415843} O6 41 1 6 {} {0.525016611346 0.374544546562 0.463338664998} C5 42 1 6 {} {0.512152813573 0.232710714185 0.268170803181} C6 43 1 8 {} {0.588204733035 0.204697848424 0.38606761713} O7 44 1 8 {} {0.602717765455 0.206253092672 0.211866843436} O8 45 1 14 {} {0.650618019086 0.485758289517 0.460406590649} Si8 46 1 7 {} {0.635063353823 0.566853845292 0.487318035308} N4 47 1 14 {} {0.641514486108 0.594553855998 0.597800359432} Si9 48 1 14 {} {0.611167358262 0.620530137243 0.408382576632} Si10 49 1 7 {} {0.622251223613 0.601254484392 0.298829525472} N5 50 1 7 {} {0.69442505675 0.614414308436 0.634239368591} N6 51 1 1 {} {0.56959753631 0.364187461477 0.263767241524} H22 52 1 1 {} {0.624335320538 0.337560703415 0.290127019584} H23 53 1 1 {} {0.611320029998 0.269780752475 0.477220995697} H24 54 1 1 {} {0.505956698264 0.407504758364 0.418709245663} H25 55 1 1 {} {0.523750714662 0.396112869281 0.530820711568} H26 56 1 1 {} {0.508194094528 0.325662855795 0.465691095711} H27 57 1 1 {} {0.502862480546 0.179581942835 0.263555943537} H28 58 1 1 {} {0.502880203496 0.256859315692 0.204813068292} H29 59 1 1 {} {0.491748369158 0.255581505709 0.320959725023} H30 60 1 1 {} {0.5910626725 0.156395412081 0.38377957884} H31 61 1 1 {} {0.589565199872 0.202331371252 0.153119194292} H32 62 1 1 {} {0.67263362736 0.45707421382 0.541017573849} H33 63 1 1 {} {0.68231584805 0.485442750518 0.38367586139} H34 64 1 1 {} {0.614059160332 0.656619120929 0.60432240987} H35 65 1 1 {} {0.625207121307 0.54157917505 0.659360372935} H36 66 1 1 {} {0.561396835537 0.619817770017 0.416034615464} H37 67 1 1 {} {0.628170813892 0.689396904602 0.426381105531} H38 68 1 1 {} {0.605869908255 0.562887374402 0.268696937333} H39 69 1 1 {} {0.65390204505 0.60484347869 0.274482030319} H40 70 1 1 {} {0.715719461169 0.577180024721 0.651931081835} H41 71 1 1 {} {0.711288982517 0.653402341857 0.606980941091} 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