#MD System 2.0 @Title neb0_image02 @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 {} {0.205345841635 0.529100162993 0.30933425857} C1 1 1 14 {} {0.259411681842 0.491487314094 0.268526921288} Si1 2 1 14 {} {0.158347526752 0.536994307649 0.229006223609} Si2 3 1 8 {} {0.271530595819 0.522555019411 0.169399411853} O1 4 1 8 {} {0.299169316227 0.511925180882 0.338111117841} O2 5 1 6 {} {0.25687052017 0.398336424226 0.262104046464} C2 6 1 6 {} {0.126651769726 0.457457144396 0.211485276617} C3 7 1 8 {} {0.182290728949 0.562643289558 0.13403385795} O3 8 1 8 {} {0.123228297702 0.598055248895 0.257897936474} O4 9 1 14 {} {0.350969067095 0.541053836859 0.344805662201} Si3 10 1 7 {} {0.385550400718 0.478570523933 0.386607004417} N1 11 1 14 {} {0.439578464008 0.475896227739 0.344088479875} Si4 12 1 14 {} {0.36538490119 0.424160975409 0.468531416472} Si5 13 1 7 {} {0.335711942571 0.460951259322 0.554376967322} N2 14 1 7 {} {0.461758487732 0.555166468333 0.348970792225} N3 15 1 1 {} {0.193734535829 0.500895803398 0.368111089217} H1 16 1 1 {} {0.213351497656 0.580037591646 0.33297352646} H2 17 1 1 {} {0.246528928906 0.544606026486 0.138914328105} H3 18 1 1 {} {0.251515638511 0.374685304291 0.327433331525} H4 19 1 1 {} {0.288598866328 0.378971873174 0.235397456842} H5 20 1 1 {} {0.230194247845 0.38175741835 0.216949099017} H6 21 1 1 {} {0.100435603518 0.464183733746 0.161114288799} H7 22 1 1 {} {0.110827307476 0.439896380861 0.273425096135} H8 23 1 1 {} {0.148956241481 0.417501238883 0.187981006483} H9 24 1 1 {} {0.163690771751 0.586376331281 0.0919041246726} H10 25 1 1 {} {0.0947661827297 0.585224528218 0.283108583306} H11 26 1 1 {} {0.367370756018 0.561764224791 0.255493680507} H12 27 1 1 {} {0.349400174996 0.599997403993 0.406079545968} H13 28 1 1 {} {0.463611131554 0.423166645516 0.396011903665} H14 29 1 1 {} {0.441480574777 0.457810022365 0.247185843539} H15 30 1 1 {} {0.334269673263 0.374836404254 0.42807967691} H16 31 1 1 {} {0.405038716842 0.389574067287 0.50796388901} H17 32 1 1 {} {0.304022743234 0.477036711212 0.541931867422} H18 33 1 1 {} {0.350993809204 0.492500508136 0.597761426641} H19 34 1 1 {} {0.485217938985 0.570125298071 0.304458926231} H20 35 1 1 {} {0.466497876581 0.578460973067 0.408609467873} H21 36 1 6 {} {0.655426430315 0.63752642637 0.502385384153} C4 37 1 14 {} {0.61570035736 0.573940946086 0.456045768821} Si6 38 1 14 {} {0.652492120663 0.724483122758 0.457481105509} Si7 39 1 8 {} {0.611707946693 0.582275839667 0.346949044715} O5 40 1 8 {} {0.636209480203 0.498921839656 0.47967184274} O6 41 1 6 {} {0.559073208262 0.579180861594 0.507058289461} C5 42 1 6 {} {0.604952259232 0.774834930301 0.502722570446} C6 43 1 8 {} {0.648207305025 0.713158041877 0.347118163602} O7 44 1 8 {} {0.699866931059 0.766421201097 0.471832440761} O8 45 1 14 {} {0.64640627867 0.420756732124 0.450735886664} Si8 46 1 7 {} {0.601232980587 0.369092231822 0.470515431216} N4 47 1 14 {} {0.580855766691 0.319422105529 0.378775695475} Si9 48 1 14 {} {0.575905912019 0.363752950785 0.574166089244} Si10 49 1 7 {} {0.611826398611 0.384535309497 0.661294660499} N5 50 1 7 {} {0.614871489427 0.256105835401 0.341648254965} N6 51 1 1 {} {0.651567509798 0.639008688865 0.575665494521} H22 52 1 1 {} {0.689617943578 0.619888731792 0.489281121893} H23 53 1 1 {} {0.624876476025 0.623253429321 0.323842309793} H24 54 1 1 {} {0.558568617007 0.570656913694 0.579381607472} H25 55 1 1 {} {0.53769344562 0.541157816723 0.475475638885} H26 56 1 1 {} {0.543972510019 0.62862026977 0.493914295368} H27 57 1 1 {} {0.604231975881 0.825149307053 0.473026074257} H28 58 1 1 {} {0.607071320589 0.780624124156 0.575670045209} H29 59 1 1 {} {0.572754651022 0.75079051776 0.487942415968} H30 60 1 1 {} {0.656587917011 0.750064603687 0.30899636081} H31 61 1 1 {} {0.700440819144 0.800818963892 0.517835765314} H32 62 1 1 {} {0.657509325142 0.415920614131 0.355438362249} H33 63 1 1 {} {0.685461852862 0.400705790355 0.506752555832} H34 64 1 1 {} {0.539355319661 0.28881169565 0.413887498991} H35 65 1 1 {} {0.573160562914 0.362819240188 0.301568074526} H36 66 1 1 {} {0.53828900501 0.412803058319 0.583092577653} H37 67 1 1 {} {0.559665873938 0.294721943566 0.587627422217} H38 68 1 1 {} {0.617035492749 0.432948309199 0.677787586005} H39 69 1 1 {} {0.638401481324 0.355087723089 0.676828767673} H40 70 1 1 {} {0.639956280706 0.267350241185 0.297320328974} H41 71 1 1 {} {0.624421932007 0.217930655318 0.381905837667} 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