#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 {} {0.205087765187 0.528748262541 0.309822857174} C1 1 1 14 {} {0.259021711948 0.491738026913 0.268076575251} Si1 2 1 14 {} {0.158370165121 0.537202244148 0.228870798881} Si2 3 1 8 {} {0.271612663093 0.524779702434 0.170223579615} O1 4 1 8 {} {0.299020918343 0.511968890381 0.338944690996} O2 5 1 6 {} {0.257047137602 0.398559993345 0.261056103515} C2 6 1 6 {} {0.126840785126 0.457475369132 0.21110861085} C3 7 1 8 {} {0.182849415777 0.56294518566 0.134533310814} O3 8 1 8 {} {0.123053649971 0.598365355565 0.255854208059} O4 9 1 14 {} {0.350516348075 0.540937470796 0.344124806361} Si3 10 1 7 {} {0.385255095052 0.478045037081 0.385760756543} N1 11 1 14 {} {0.439651059336 0.476418246656 0.344782494658} Si4 12 1 14 {} {0.364891879002 0.423848315329 0.46853837399} Si5 13 1 7 {} {0.335703773591 0.461568474294 0.553942696151} N2 14 1 7 {} {0.461627938142 0.556111781988 0.350935211885} N3 15 1 1 {} {0.19348408353 0.500117018053 0.368292179426} H1 16 1 1 {} {0.21295392413 0.579583357235 0.333963248068} H2 17 1 1 {} {0.246118752387 0.544943835703 0.13943961258} H3 18 1 1 {} {0.251891114547 0.375516501976 0.326855862498} H4 19 1 1 {} {0.288766907971 0.379512354908 0.234295210511} H5 20 1 1 {} {0.230280632629 0.381481784201 0.216335480464} H6 21 1 1 {} {0.100339325656 0.463702704732 0.161033697446} H7 22 1 1 {} {0.111296896215 0.439746503117 0.27328923073} H8 23 1 1 {} {0.149256905942 0.417677989271 0.18749222062} H9 24 1 1 {} {0.164369311044 0.586140338735 0.091377743467} H10 25 1 1 {} {0.0946680867329 0.5859619703 0.281898264159} H11 26 1 1 {} {0.366895313538 0.560946835427 0.25424355066} H12 27 1 1 {} {0.349359812626 0.599799437313 0.405174695793} H13 28 1 1 {} {0.463664598497 0.424006728695 0.397382244535} H14 29 1 1 {} {0.44176784418 0.459068813514 0.248001082703} H15 30 1 1 {} {0.333422737828 0.374693747744 0.428243896158} H16 31 1 1 {} {0.40435223153 0.389552066408 0.507794644611} H17 32 1 1 {} {0.304097297004 0.478067054181 0.542925485991} H18 33 1 1 {} {0.351686952453 0.4920433831 0.597899835125} H19 34 1 1 {} {0.484533532419 0.571081410144 0.30501465398} H20 35 1 1 {} {0.467407876964 0.578352164192 0.410816319141} H21 36 1 6 {} {0.655115816355 0.637118296119 0.502797807033} C4 37 1 14 {} {0.615620280814 0.573287295844 0.454984134166} Si6 38 1 14 {} {0.652721495417 0.723775348454 0.457979983914} Si7 39 1 8 {} {0.61323486938 0.581590145443 0.345351885386} O5 40 1 8 {} {0.635375735931 0.498546319378 0.47922550834} O6 41 1 6 {} {0.558553400962 0.579407622602 0.504195508297} C5 42 1 6 {} {0.605160415289 0.774245747839 0.502741166699} C6 43 1 8 {} {0.648418361012 0.712998129795 0.347498833469} O7 44 1 8 {} {0.700329941149 0.76518787628 0.473561297639} O8 45 1 14 {} {0.645954627215 0.4206729586 0.451296572199} Si8 46 1 7 {} {0.600641099427 0.368483271392 0.469495979173} N4 47 1 14 {} {0.581078844331 0.319228118213 0.380829554672} Si9 48 1 14 {} {0.575878794228 0.365074586544 0.575687159325} Si10 49 1 7 {} {0.611241319953 0.38396047736 0.662760592214} N5 50 1 7 {} {0.615997973051 0.256533442963 0.343480115174} N6 51 1 1 {} {0.650993115621 0.638647451773 0.575888317975} H22 52 1 1 {} {0.689192731574 0.618404234947 0.490340797634} H23 53 1 1 {} {0.625617042018 0.623884246234 0.323462939627} H24 54 1 1 {} {0.558642304599 0.569523985703 0.576341880583} H25 55 1 1 {} {0.536552353058 0.542399940426 0.472354283903} H26 56 1 1 {} {0.544083132595 0.629342663294 0.493191732683} H27 57 1 1 {} {0.604404862145 0.82465449538 0.473297916529} H28 58 1 1 {} {0.607203592518 0.779777949884 0.575681057704} H29 59 1 1 {} {0.573092705236 0.750089095939 0.487535833287} H30 60 1 1 {} {0.656479264775 0.750376992343 0.309538309497} H31 61 1 1 {} {0.700696389466 0.800175099877 0.518234962756} H32 62 1 1 {} {0.657456325947 0.415602409163 0.354587422363} H33 63 1 1 {} {0.685127238242 0.400296324301 0.506168672645} H34 64 1 1 {} {0.539293582184 0.287354961102 0.413787818492} H35 65 1 1 {} {0.572885835856 0.362137771679 0.301371308515} H36 66 1 1 {} {0.538704399643 0.41447565387 0.582246575124} H37 67 1 1 {} {0.558766435835 0.295666947442 0.587678463726} H38 68 1 1 {} {0.617663362888 0.432473720737 0.67779844551} H39 69 1 1 {} {0.638120094713 0.354858013668 0.67602722165} H40 70 1 1 {} {0.640649894752 0.267623359241 0.299277631232} H41 71 1 1 {} {0.625565777186 0.218719628605 0.384766201905} 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