#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 {} {0.208270884977 0.52811826465 0.313683030655} C1 1 1 14 {} {0.261787831489 0.490312721956 0.271931185274} Si1 2 1 14 {} {0.161449937314 0.536613100375 0.233140836303} Si2 3 1 8 {} {0.273892676909 0.521013607602 0.172436956986} O1 4 1 8 {} {0.302005412356 0.511883270372 0.342187014172} O2 5 1 6 {} {0.259506640462 0.39723471439 0.266451893679} C2 6 1 6 {} {0.129539261168 0.457248695827 0.215268866693} C3 7 1 8 {} {0.185675007008 0.562900281738 0.138818438545} O3 8 1 8 {} {0.126301196793 0.597552987468 0.26191870118} O4 9 1 14 {} {0.353236699062 0.540808404252 0.348912471738} Si3 10 1 7 {} {0.387783722856 0.477511425929 0.390265910018} N1 11 1 14 {} {0.441459243288 0.47505809505 0.346316880324} Si4 12 1 14 {} {0.367592550165 0.423069358059 0.472947602469} Si5 13 1 7 {} {0.338137342051 0.460479804559 0.558309855949} N2 14 1 7 {} {0.46176187845 0.555831638081 0.34904040019} N3 15 1 1 {} {0.196567472103 0.500066525352 0.372543834571} H1 16 1 1 {} {0.216161435043 0.579047964613 0.337275187526} H2 17 1 1 {} {0.248975330084 0.543716773127 0.143346025539} H3 18 1 1 {} {0.254042370039 0.37398277039 0.331986802241} H4 19 1 1 {} {0.291104103057 0.377869355491 0.239555461953} H5 20 1 1 {} {0.232691147927 0.380816174181 0.221301997891} H6 21 1 1 {} {0.103147715004 0.46398789373 0.165046902566} H7 22 1 1 {} {0.113696881896 0.440008485941 0.277412238348} H8 23 1 1 {} {0.15149209739 0.416823554706 0.191865790589} H9 24 1 1 {} {0.166941303278 0.586056521425 0.0961174803009} H10 25 1 1 {} {0.0977759679362 0.584553322873 0.2866878754} H11 26 1 1 {} {0.370038461699 0.561533134363 0.259753483038} H12 27 1 1 {} {0.35185117926 0.599067024533 0.410831607542} H13 28 1 1 {} {0.466455038447 0.4239440574 0.399441659754} H14 29 1 1 {} {0.443251944876 0.455403064889 0.250442863668} H15 30 1 1 {} {0.336266192593 0.373867184666 0.432517277277} H16 31 1 1 {} {0.407129472087 0.388813494353 0.511924330171} H17 32 1 1 {} {0.306654472513 0.476818590799 0.54656632335} H18 33 1 1 {} {0.35384154247 0.491826869325 0.601817364503} H19 34 1 1 {} {0.487176188101 0.568785261307 0.30757064285} H20 35 1 1 {} {0.465404162163 0.578912966231 0.409092191835} H21 36 1 6 {} {0.653735986745 0.638651811711 0.498336368695} C4 37 1 14 {} {0.614046434436 0.574494630258 0.4526348924} Si6 38 1 14 {} {0.650694384939 0.725163253309 0.453170442028} Si7 39 1 8 {} {0.608649180477 0.583048256408 0.343224194613} O5 40 1 8 {} {0.634167299478 0.499887082076 0.475204118215} O6 41 1 6 {} {0.557659603327 0.57981254778 0.504760037591} C5 42 1 6 {} {0.602611190535 0.775114197464 0.49746707604} C6 43 1 8 {} {0.647286452019 0.713239299978 0.342771389775} O7 44 1 8 {} {0.697858726765 0.76743340431 0.469525381525} O8 45 1 14 {} {0.643505029505 0.421594256504 0.44781610079} Si8 46 1 7 {} {0.597905355399 0.369472494969 0.46511195178} N4 47 1 14 {} {0.57808389277 0.320287221585 0.376745269796} Si9 48 1 14 {} {0.573000443659 0.365277713714 0.571514003104} Si10 49 1 7 {} {0.6086191675 0.384713147947 0.657491374034} N5 50 1 7 {} {0.612345290249 0.257152054568 0.337557625005} N6 51 1 1 {} {0.649306590514 0.639934670405 0.571345493645} H22 52 1 1 {} {0.688027995607 0.620745750232 0.485909072395} H23 53 1 1 {} {0.622278762858 0.623966934115 0.319227523624} H24 54 1 1 {} {0.558121358468 0.572158464495 0.57736167513} H25 55 1 1 {} {0.536971213719 0.540377675155 0.474790945788} H26 56 1 1 {} {0.541925135541 0.628279797897 0.490852006845} H27 57 1 1 {} {0.601596333002 0.825615429006 0.468363817406} H28 58 1 1 {} {0.604849606912 0.780729931387 0.570378313525} H29 59 1 1 {} {0.570469882687 0.750902468918 0.482969740711} H30 60 1 1 {} {0.65410445158 0.751042644197 0.304256774182} H31 61 1 1 {} {0.697916620491 0.801962145036 0.514415881341} H32 62 1 1 {} {0.654630393233 0.416260232485 0.350757123222} H33 63 1 1 {} {0.682601464951 0.400935185492 0.502525334374} H34 64 1 1 {} {0.536318863632 0.289066852036 0.410458543467} H35 65 1 1 {} {0.569894423338 0.363672862327 0.297524282378} H36 66 1 1 {} {0.535126076086 0.413593961873 0.579505030973} H37 67 1 1 {} {0.556417143955 0.295273308326 0.583887900647} H38 68 1 1 {} {0.614183248031 0.433617865371 0.673674750516} H39 69 1 1 {} {0.635313863354 0.355624312696 0.672036293223} H40 70 1 1 {} {0.636771117803 0.268237576975 0.293580514794} H41 71 1 1 {} {0.621620288267 0.218425854571 0.377929449497} 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