#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 {} {0.207540319305 0.528267951045 0.314330625826} C1 1 1 14 {} {0.261433988339 0.491468354309 0.272427431815} Si1 2 1 14 {} {0.160798142651 0.536885169873 0.233037835755} Si2 3 1 8 {} {0.274534904119 0.52590546871 0.175364152145} O1 4 1 8 {} {0.300692084429 0.510880043774 0.343182854941} O2 5 1 6 {} {0.259661158302 0.39813490785 0.264637241271} C2 6 1 6 {} {0.129307081223 0.456989904834 0.215190190149} C3 7 1 8 {} {0.185356005758 0.562472736973 0.138843049728} O3 8 1 8 {} {0.125352921328 0.597809256216 0.259015516637} O4 9 1 14 {} {0.353018471579 0.540874090811 0.348216483522} Si3 10 1 7 {} {0.387645830035 0.47718816043 0.389683898831} N1 11 1 14 {} {0.442519494774 0.476339774174 0.349322606317} Si4 12 1 14 {} {0.367214660383 0.422623248324 0.473355315816} Si5 13 1 7 {} {0.338579562549 0.461624964709 0.557619280349} N2 14 1 7 {} {0.465451417312 0.555822520652 0.357764461287} N3 15 1 1 {} {0.195901485245 0.499347710671 0.372452492617} H1 16 1 1 {} {0.215345315874 0.579243126791 0.338393431244} H2 17 1 1 {} {0.248416635352 0.544545499188 0.143476909994} H3 18 1 1 {} {0.254667435736 0.375674119959 0.330707594577} H4 19 1 1 {} {0.291438002049 0.379252351768 0.238094923866} H5 20 1 1 {} {0.232989007136 0.380968597929 0.220386679762} H6 21 1 1 {} {0.10272098404 0.462941464712 0.165126114114} H7 22 1 1 {} {0.113927562078 0.438990413139 0.27751823818} H8 23 1 1 {} {0.152059244036 0.417442411629 0.191572167379} H9 24 1 1 {} {0.167018914356 0.585588992757 0.095185438886} H10 25 1 1 {} {0.0969274029415 0.585964073682 0.285828452062} H11 26 1 1 {} {0.369273646778 0.560183710009 0.257113184525} H12 27 1 1 {} {0.351959439943 0.599271245594 0.408788677492} H13 28 1 1 {} {0.466504628676 0.422892586753 0.403088094688} H14 29 1 1 {} {0.444499207371 0.459641096028 0.252333218673} H15 30 1 1 {} {0.335929945395 0.374468019891 0.432425126273} H16 31 1 1 {} {0.406629938008 0.389539403855 0.511728859603} H17 32 1 1 {} {0.306425811591 0.477826620937 0.547190795659} H18 33 1 1 {} {0.354591565751 0.491296754855 0.602111703485} H19 34 1 1 {} {0.487264895479 0.571527919454 0.308906361107} H20 35 1 1 {} {0.471661978133 0.577897351773 0.417596035321} H21 36 1 6 {} {0.652142630133 0.637445141645 0.498924623031} C4 37 1 14 {} {0.61254632666 0.573359668763 0.44998434231} Si6 38 1 14 {} {0.650005724896 0.723975619682 0.454055110691} Si7 39 1 8 {} {0.611723886054 0.581689046079 0.34020443919} O5 40 1 8 {} {0.632232507715 0.498187259014 0.474868539646} O6 41 1 6 {} {0.555320695865 0.579677552236 0.498338245102} C5 42 1 6 {} {0.602696964255 0.774487998779 0.498948365316} C6 43 1 8 {} {0.645225306571 0.713896087409 0.343361519691} O7 44 1 8 {} {0.697666532156 0.764738974281 0.46912814201} O8 45 1 14 {} {0.643178761509 0.420805712125 0.447304403746} Si8 46 1 7 {} {0.597865244839 0.368614254475 0.464712091928} N4 47 1 14 {} {0.578780223073 0.31952553548 0.377722585052} Si9 48 1 14 {} {0.57367545187 0.365899773208 0.572794490835} Si10 49 1 7 {} {0.610982430195 0.386018924818 0.662840448924} N5 50 1 7 {} {0.612859723374 0.257986886801 0.341297982213} N6 51 1 1 {} {0.648473403865 0.639121075678 0.572110940178} H22 52 1 1 {} {0.685895684284 0.617980798412 0.486492907879} H23 53 1 1 {} {0.623305514322 0.62463262876 0.31960455012} H24 54 1 1 {} {0.555590889505 0.569067568553 0.569956170614} H25 55 1 1 {} {0.532399132675 0.543897838852 0.46649962469} H26 56 1 1 {} {0.541179830188 0.630584012726 0.488434307136} H27 57 1 1 {} {0.601978600169 0.824871510729 0.469121894775} H28 58 1 1 {} {0.604636176249 0.779978602578 0.571953272822} H29 59 1 1 {} {0.570723300811 0.750255614553 0.4832086781} H30 60 1 1 {} {0.653836706841 0.750688986101 0.305987698982} H31 61 1 1 {} {0.698200660917 0.800505120219 0.514359412926} H32 62 1 1 {} {0.655156130417 0.415977997818 0.350070688907} H33 63 1 1 {} {0.682514318671 0.400380725989 0.501541588697} H34 64 1 1 {} {0.536779851752 0.287160777231 0.409090708691} H35 65 1 1 {} {0.570344701075 0.362473619951 0.296324289965} H36 66 1 1 {} {0.536760391335 0.415203833953 0.576626682216} H37 67 1 1 {} {0.556222761536 0.296740717893 0.582781055123} H38 68 1 1 {} {0.615231348627 0.428094183447 0.672265317268} H39 69 1 1 {} {0.633442086906 0.358267930646 0.670320562567} H40 70 1 1 {} {0.639277649334 0.268216159204 0.29444335661} H41 71 1 1 {} {0.623567150499 0.219104870197 0.382113641853} 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