#MD System 2.0 @Title neb0_image09 @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 {} {0.225994486184 0.524722144813 0.346515405357} C1 1 1 14 {} {0.279150271886 0.487461461212 0.305162176831} Si1 2 1 14 {} {0.180894777913 0.533349020388 0.266345223484} Si2 3 1 8 {} {0.29375003433 0.516915375919 0.206304472477} O1 4 1 8 {} {0.311136677654 0.515440006826 0.387890599428} O2 5 1 6 {} {0.280509015315 0.393655870616 0.299883986553} C2 6 1 6 {} {0.150396337181 0.453076973135 0.248540872721} C3 7 1 8 {} {0.206109496956 0.561136369915 0.173711343614} O3 8 1 8 {} {0.14541150595 0.593760749389 0.295555328627} O4 9 1 14 {} {0.363765203662 0.52969005388 0.378646753558} Si3 10 1 7 {} {0.392268351283 0.457162746659 0.405401853979} N1 11 1 14 {} {0.440093848935 0.46381397022 0.330702717346} Si4 12 1 14 {} {0.383779846517 0.414029109368 0.503853049125} Si5 13 1 7 {} {0.358963757533 0.455312228822 0.590416712679} N2 14 1 7 {} {0.429158331806 0.549008102844 0.26736125719} N3 15 1 1 {} {0.216775319079 0.495799927734 0.406146036092} H1 16 1 1 {} {0.23705745869 0.574258918645 0.370262465542} H2 17 1 1 {} {0.269669618252 0.540921821058 0.175704995442} H3 18 1 1 {} {0.275294069354 0.370754237209 0.365912770922} H4 19 1 1 {} {0.312497793602 0.375063253768 0.273286689993} H5 20 1 1 {} {0.25390580679 0.376312944312 0.2545531377} H6 21 1 1 {} {0.123980147386 0.459421193328 0.198879062406} H7 22 1 1 {} {0.134977706066 0.436272090992 0.311303877392} H8 23 1 1 {} {0.172621794127 0.412816319436 0.225707116223} H9 24 1 1 {} {0.187409593775 0.582608549303 0.129965692225} H10 25 1 1 {} {0.117808405983 0.579492939562 0.322084275921} H11 26 1 1 {} {0.372857687952 0.552100384862 0.278461245452} H12 27 1 1 {} {0.374881103272 0.589971484621 0.441012667048} H13 28 1 1 {} {0.48229684428 0.460389032673 0.389595396421} H14 29 1 1 {} {0.445791327041 0.399782790487 0.253414493184} H15 30 1 1 {} {0.353203562029 0.360502793523 0.481252197485} H16 31 1 1 {} {0.42493414365 0.386942100315 0.542441624083} H17 32 1 1 {} {0.327649813343 0.474414881981 0.585637766969} H18 33 1 1 {} {0.373676431343 0.486342051594 0.634805098035} H19 34 1 1 {} {0.453077145629 0.57619225479 0.302964163096} H20 35 1 1 {} {0.37878662348 0.611025655791 0.303314192835} H21 36 1 6 {} {0.660725312475 0.646164086792 0.46589297494} C4 37 1 14 {} {0.616669761578 0.579499852737 0.440785004845} Si6 38 1 14 {} {0.639272427691 0.730322932181 0.418830458903} Si7 39 1 8 {} {0.580867243125 0.595956287993 0.350162378544} O5 40 1 8 {} {0.632919440255 0.504034602648 0.442693935316} O6 41 1 6 {} {0.57790498312 0.578209365053 0.544904653682} C5 42 1 6 {} {0.58504343007 0.774409528929 0.463327326497} C6 43 1 8 {} {0.62834903203 0.720855587122 0.309171020135} O7 44 1 8 {} {0.679129217678 0.791115369104 0.425636446957} O8 45 1 14 {} {0.627365019004 0.422462413715 0.4130173447} Si8 46 1 7 {} {0.578916715495 0.376920206094 0.433836115653} N4 47 1 14 {} {0.557927752636 0.325062212703 0.344177492508} Si9 48 1 14 {} {0.555220173832 0.367476269585 0.541376549813} Si10 49 1 7 {} {0.591707422352 0.38462246108 0.625228226049} N5 50 1 7 {} {0.591949079514 0.260655416212 0.304475805469} N6 51 1 1 {} {0.65239658417 0.652266457281 0.536472356857} H22 52 1 1 {} {0.697632876923 0.653344854738 0.471782352856} H23 53 1 1 {} {0.591201630899 0.62155521121 0.304969672291} H24 54 1 1 {} {0.588031673692 0.613325767478 0.602983695347} H25 55 1 1 {} {0.580126031535 0.527122467038 0.575536458295} H26 56 1 1 {} {0.542447545507 0.588028258004 0.51104869503} H27 57 1 1 {} {0.58217716837 0.825749379977 0.433990502509} H28 58 1 1 {} {0.584567636184 0.783029388891 0.536447983659} H29 59 1 1 {} {0.551948146378 0.751959620898 0.447756524836} H30 60 1 1 {} {0.6319271312 0.755637434656 0.264987915636} H31 61 1 1 {} {0.679560213329 0.814578718008 0.482069646842} H32 62 1 1 {} {0.634012077653 0.415760164747 0.316354582695} H33 63 1 1 {} {0.66432126841 0.396117418176 0.467147584325} H34 64 1 1 {} {0.516057380046 0.290634110268 0.376377280214} H35 65 1 1 {} {0.549203977464 0.366444121836 0.265004244636} H36 66 1 1 {} {0.51901169775 0.418652641656 0.560920391207} H37 67 1 1 {} {0.536131674606 0.298613784525 0.550167668982} H38 68 1 1 {} {0.594917264893 0.434842196446 0.643400985669} H39 69 1 1 {} {0.619524333833 0.358986767224 0.642637356381} H40 70 1 1 {} {0.616649180384 0.271661217473 0.259688052011} H41 71 1 1 {} {0.601331041416 0.221306802234 0.343551578916} 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