#MD System 2.0 @Title neb0_image08 @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 {} {0.221255512677 0.525753220119 0.335986278488} C1 1 1 14 {} {0.275192014346 0.488792702517 0.294274382049} Si1 2 1 14 {} {0.174607183898 0.534197349889 0.254988337942} Si2 3 1 8 {} {0.287710812386 0.521708082648 0.196309177326} O1 4 1 8 {} {0.315034000518 0.509228878832 0.365081982664} O2 5 1 6 {} {0.273211305943 0.395563866198 0.287173937003} C2 6 1 6 {} {0.142997104543 0.45452457992 0.237255392868} C3 7 1 8 {} {0.199081996523 0.56027679466 0.160742633181} O3 8 1 8 {} {0.139196388088 0.595217423948 0.282011790345} O4 9 1 14 {} {0.366511057991 0.538228826035 0.369896721561} Si3 10 1 7 {} {0.400065849068 0.474329825667 0.412602486282} N1 11 1 14 {} {0.45344767012 0.471756037264 0.366943038832} Si4 12 1 14 {} {0.380718101304 0.420512189073 0.495277394378} Si5 13 1 7 {} {0.351755591678 0.458577969417 0.580493672831} N2 14 1 7 {} {0.468318473868 0.555368556021 0.36270108187} N3 15 1 1 {} {0.209631560041 0.497130490478 0.394451457444} H1 16 1 1 {} {0.229120482479 0.576608196071 0.360128346509} H2 17 1 1 {} {0.262255295412 0.541966418203 0.165570007104} H3 18 1 1 {} {0.268041786631 0.372545568949 0.352974365616} H4 19 1 1 {} {0.304920367621 0.376478703136 0.260433478875} H5 20 1 1 {} {0.24642898973 0.378498436681 0.242477888331} H6 21 1 1 {} {0.11648913873 0.460754195547 0.187196356648} H7 22 1 1 {} {0.127454545959 0.436809796371 0.299463641207} H8 23 1 1 {} {0.165388322191 0.414702945862 0.213654267481} H9 24 1 1 {} {0.18051059388 0.583186974925 0.117511346397} H10 25 1 1 {} {0.11081087725 0.582920820744 0.308058836938} H11 26 1 1 {} {0.382885860109 0.557891067176 0.280414278194} H12 27 1 1 {} {0.365563179001 0.596703215832 0.431278241474} H13 28 1 1 {} {0.479764270823 0.422927097045 0.422280688891} H14 29 1 1 {} {0.457757658468 0.453802259056 0.27094652981} H15 30 1 1 {} {0.349575326723 0.371719445815 0.454476848749} H16 31 1 1 {} {0.420488721273 0.386691709206 0.533689465706} H17 32 1 1 {} {0.320155342532 0.475187501381 0.569033495277} H18 33 1 1 {} {0.367851649278 0.489152678534 0.62423032952} H19 34 1 1 {} {0.497831991456 0.566765691796 0.330067385624} H20 35 1 1 {} {0.472023738195 0.576768852833 0.423557250441} H21 36 1 6 {} {0.640456023392 0.640928760365 0.476621227284} C4 37 1 14 {} {0.602636300999 0.577418067887 0.430337212454} Si6 38 1 14 {} {0.636744638231 0.72691377076 0.431632589112} Si7 39 1 8 {} {0.596278883813 0.584969786001 0.321121129911} O5 40 1 8 {} {0.61949990528 0.501132120197 0.452795049169} O6 41 1 6 {} {0.548208330718 0.585363991533 0.48787746812} C5 42 1 6 {} {0.589054577895 0.777126146327 0.476508369503} C6 43 1 8 {} {0.632399911497 0.715825444573 0.321290859152} O7 44 1 8 {} {0.684255342335 0.768254991423 0.447379645099} O8 45 1 14 {} {0.629869941134 0.423302988219 0.425227995471} Si8 46 1 7 {} {0.584379018366 0.371331034686 0.44302518879} N4 47 1 14 {} {0.564927527539 0.32218700347 0.354854688756} Si9 48 1 14 {} {0.55984843382 0.367996889875 0.55013663895} Si10 49 1 7 {} {0.595198708925 0.386841498324 0.636336693891} N5 50 1 7 {} {0.599772727971 0.259255305863 0.317061550248} N6 51 1 1 {} {0.634841270041 0.641463747538 0.549244743916} H22 52 1 1 {} {0.674043280944 0.621835596784 0.464300578359} H23 53 1 1 {} {0.609127370408 0.626421760085 0.297666761006} H24 54 1 1 {} {0.5451176309 0.574149662978 0.559297784072} H25 55 1 1 {} {0.532878487921 0.541742935207 0.456770005957} H26 56 1 1 {} {0.529958006135 0.630851704205 0.469285930377} H27 57 1 1 {} {0.588263866047 0.827593635078 0.447104782089} H28 58 1 1 {} {0.591064417479 0.782717429559 0.549455254461} H29 59 1 1 {} {0.556947747307 0.753100807457 0.461369644028} H30 60 1 1 {} {0.640297467714 0.753299243758 0.283351010295} H31 61 1 1 {} {0.684571276108 0.803224010684 0.492105470477} H32 62 1 1 {} {0.641290055069 0.418641650444 0.328482282658} H33 63 1 1 {} {0.669008170369 0.403383276239 0.480051691494} H34 64 1 1 {} {0.523198052439 0.290297201057 0.387706830353} H35 65 1 1 {} {0.556727882177 0.364999867803 0.275607523959} H36 66 1 1 {} {0.52273854791 0.417571423282 0.557176289879} H37 67 1 1 {} {0.542539850021 0.298604004089 0.561589434428} H38 68 1 1 {} {0.601497394363 0.435228286786 0.651722258029} H39 69 1 1 {} {0.622000856848 0.357860030787 0.649970427629} H40 70 1 1 {} {0.624557502569 0.270654983694 0.273046740475} H41 71 1 1 {} {0.609425688643 0.221565526398 0.358663553447} 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