#MD System 2.0 @Title neb0_image04 @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 {} {0.211136106341 0.527634426194 0.31867323645} C1 1 1 14 {} {0.264845321379 0.490053111435 0.277166835711} Si1 2 1 14 {} {0.164328200981 0.535864299994 0.238216199945} Si2 3 1 8 {} {0.276850759141 0.520590644843 0.177684929011} O1 4 1 8 {} {0.304410943732 0.511997579834 0.347814158726} O2 5 1 6 {} {0.262759640128 0.39688502937 0.271270179728} C2 6 1 6 {} {0.132719768737 0.456423503871 0.220744964804} C3 7 1 8 {} {0.188491488465 0.562539755166 0.143697353032} O3 8 1 8 {} {0.128865164668 0.596684190831 0.267120230047} O4 9 1 14 {} {0.355780511057 0.540135357625 0.353445340285} Si3 10 1 7 {} {0.389877469436 0.476356897385 0.394579341546} N1 11 1 14 {} {0.443342796626 0.473993543392 0.349325539722} Si4 12 1 14 {} {0.370439426324 0.422501739149 0.477582996543} Si5 13 1 7 {} {0.341312637927 0.46005734471 0.56359468475} N2 14 1 7 {} {0.460844298558 0.556607321968 0.347397908117} N3 15 1 1 {} {0.199518419427 0.499431895181 0.377312448972} H1 16 1 1 {} {0.219279036814 0.578422883108 0.342392311756} H2 17 1 1 {} {0.251939759368 0.543342458296 0.14823689619} H3 18 1 1 {} {0.257360056277 0.373456003509 0.336777788354} H4 19 1 1 {} {0.294438911917 0.377501716207 0.244439890286} H5 20 1 1 {} {0.236031349929 0.380183407292 0.226113720396} H6 21 1 1 {} {0.106284396689 0.463071292931 0.170694977955} H7 22 1 1 {} {0.117059529451 0.439275851691 0.28294534054} H8 23 1 1 {} {0.154742621042 0.416136929038 0.197333921648} H9 24 1 1 {} {0.169838681176 0.585547051506 0.10111429434} H10 25 1 1 {} {0.100626114283 0.583364725754 0.292240732162} H11 26 1 1 {} {0.372388159398 0.560450857844 0.264300055449} H12 27 1 1 {} {0.355021238046 0.598789835775 0.415551235083} H13 28 1 1 {} {0.469408437687 0.42612853263 0.403376911605} H14 29 1 1 {} {0.445502570787 0.451901578446 0.25335983564} H15 30 1 1 {} {0.339139659795 0.372893832934 0.438242651305} H16 31 1 1 {} {0.410223402988 0.388470641941 0.516907361278} H17 32 1 1 {} {0.309634162946 0.476516985012 0.55216354148} H18 33 1 1 {} {0.356882317985 0.4911080478 0.607281831432} H19 34 1 1 {} {0.488806662729 0.567082283115 0.311281637661} H20 35 1 1 {} {0.462837434193 0.579783071982 0.407237102231} H21 36 1 6 {} {0.651919539682 0.63944058414 0.493236084219} C4 37 1 14 {} {0.612302499037 0.575212237938 0.449121598248} Si6 38 1 14 {} {0.647572729986 0.725800211306 0.447876294593} Si7 39 1 8 {} {0.604821749229 0.583835969372 0.340345804508} O5 40 1 8 {} {0.631885652096 0.50031040236 0.470453154773} O6 41 1 6 {} {0.556990980502 0.580326720745 0.504754570816} C5 42 1 6 {} {0.599384920565 0.775619236106 0.492252440828} C6 43 1 8 {} {0.643951852013 0.713809224161 0.337477692988} O7 44 1 8 {} {0.694601476059 0.768502939142 0.462972769699} O8 45 1 14 {} {0.640690518966 0.421911760421 0.442736025161} Si8 46 1 7 {} {0.594767063445 0.370246602299 0.459507945666} N4 47 1 14 {} {0.575257905417 0.32120966035 0.371371888185} Si9 48 1 14 {} {0.570124470931 0.365754267234 0.567097108835} Si10 49 1 7 {} {0.605279705494 0.385103641458 0.653565748851} N5 50 1 7 {} {0.609836095541 0.258037596704 0.333576893646} N6 51 1 1 {} {0.646864916246 0.640615416001 0.566224295584} H22 52 1 1 {} {0.686452848509 0.622436340351 0.481464770307} H23 53 1 1 {} {0.618616551153 0.623933320443 0.314832561439} H24 54 1 1 {} {0.557596339355 0.574713584795 0.577291993722} H25 55 1 1 {} {0.537781386856 0.53906132878 0.475760670286} H26 56 1 1 {} {0.539953518784 0.628026317643 0.488181014995} H27 57 1 1 {} {0.598567060574 0.826014546753 0.463209939299} H28 58 1 1 {} {0.601608501998 0.781256896502 0.565113560306} H29 59 1 1 {} {0.567127566862 0.751794951566 0.477729113078} H30 60 1 1 {} {0.650834844098 0.751527745954 0.298877787125} H31 61 1 1 {} {0.694840393517 0.80254523507 0.509547509388} H32 62 1 1 {} {0.651810556937 0.416837339752 0.345616548047} H33 63 1 1 {} {0.679619072286 0.400820895285 0.497488813654} H34 64 1 1 {} {0.53330358145 0.288982430446 0.404127535326} H35 65 1 1 {} {0.566924159442 0.36377541979 0.291562079192} H36 66 1 1 {} {0.532562214771 0.414391233373 0.573993675039} H37 67 1 1 {} {0.553496197374 0.296135869858 0.577940278464} H38 68 1 1 {} {0.611692687354 0.433817535851 0.66783485266} H39 69 1 1 {} {0.632476153276 0.356214039282 0.666978082639} H40 70 1 1 {} {0.634300243611 0.268653401854 0.288595445086} H41 71 1 1 {} {0.618894370188 0.219443355739 0.373473207372} 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