#MD System 2.0 @Title neb0_image06 @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 {} {0.217936863431 0.526210130918 0.330131015063} C1 1 1 14 {} {0.271131655529 0.488724265248 0.288456983345} Si1 2 1 14 {} {0.171310683977 0.534892693969 0.250017038777} Si2 3 1 8 {} {0.284064794182 0.5186263524 0.189033781904} O1 4 1 8 {} {0.308612782597 0.513312633055 0.362081610761} O2 5 1 6 {} {0.270444036077 0.395580209779 0.283676401599} C2 6 1 6 {} {0.140098190791 0.454978312345 0.231808282971} C3 7 1 8 {} {0.195861144762 0.562469834561 0.156644407946} O3 8 1 8 {} {0.135588906509 0.594789383619 0.27922256862} O4 9 1 14 {} {0.360386562678 0.53797932743 0.363708010047} Si3 10 1 7 {} {0.393088674275 0.471289155212 0.400132523102} N1 11 1 14 {} {0.443746374893 0.47001045128 0.344753553927} Si4 12 1 14 {} {0.376565069408 0.419876423108 0.489237287571} Si5 13 1 7 {} {0.348646691351 0.459024817721 0.574997671768} N2 14 1 7 {} {0.451304163792 0.554954924313 0.326439311876} N3 15 1 1 {} {0.206871425211 0.498009539496 0.389267294553} H1 16 1 1 {} {0.226614950799 0.576872485495 0.35367826113} H2 17 1 1 {} {0.259529985547 0.542126952395 0.159602696511} H3 18 1 1 {} {0.265081765708 0.372370590426 0.349266242442} H4 19 1 1 {} {0.302089520574 0.376339754032 0.256875836366} H5 20 1 1 {} {0.24373961418 0.378648888223 0.238602916906} H6 21 1 1 {} {0.113528179615 0.461525563089 0.181952655829} H7 22 1 1 {} {0.12448807617 0.438061139951 0.294378278497} H8 23 1 1 {} {0.162041633565 0.414455742943 0.208609992144} H9 24 1 1 {} {0.177094848513 0.584462674153 0.112884609945} H10 25 1 1 {} {0.107514849625 0.580875208486 0.305183827994} H11 26 1 1 {} {0.376123560163 0.558474392899 0.273858149175} H12 27 1 1 {} {0.36340253469 0.596108943851 0.426694026692} H13 28 1 1 {} {0.477503780544 0.438588727438 0.403914097613} H14 29 1 1 {} {0.446701570763 0.433661450372 0.256888841622} H15 30 1 1 {} {0.345237158526 0.368631937766 0.454701604152} H16 31 1 1 {} {0.416949710849 0.388027644004 0.528313500805} H17 32 1 1 {} {0.31695070681 0.475456141958 0.5649878579} H18 33 1 1 {} {0.364259150049 0.489664715074 0.619215322102} H19 34 1 1 {} {0.484392411743 0.567819014208 0.313803117943} H20 35 1 1 {} {0.438150312764 0.58677279567 0.371305150864} H21 36 1 6 {} {0.652748967641 0.642871421542 0.482073178113} C4 37 1 14 {} {0.611874151861 0.577449699334 0.444715148285} Si6 38 1 14 {} {0.642659564068 0.728261358973 0.435315387208} Si7 39 1 8 {} {0.594496112271 0.587333154396 0.339934577141} O5 40 1 8 {} {0.630588117004 0.501079905916 0.458358099366} O6 41 1 6 {} {0.561419481513 0.581605544608 0.516546454171} C5 42 1 6 {} {0.59281079394 0.775472764575 0.479912600983} C6 43 1 8 {} {0.637794712343 0.715544376281 0.325447099012} O7 44 1 8 {} {0.687846651695 0.775498156273 0.448921886792} O8 45 1 14 {} {0.634657080523 0.422221962739 0.430900045234} Si8 46 1 7 {} {0.587565391549 0.372236243808 0.447658434811} N4 47 1 14 {} {0.567867526327 0.322474525871 0.360587527488} Si9 48 1 14 {} {0.563130148616 0.367323457107 0.555700620251} Si10 49 1 7 {} {0.598784247617 0.386010766041 0.642361914546} N5 50 1 7 {} {0.602223527401 0.259295520183 0.321449172005} N6 51 1 1 {} {0.645902483412 0.644256752596 0.554380996804} H22 52 1 1 {} {0.688481549015 0.631669666421 0.474720865375} H23 53 1 1 {} {0.608422157032 0.623902124655 0.306756909847} H24 54 1 1 {} {0.567274471769 0.588468653786 0.587989135216} H25 55 1 1 {} {0.546666701469 0.530754933227 0.505779388518} H26 56 1 1 {} {0.537655769774 0.618390643781 0.491591891364} H27 57 1 1 {} {0.59153051378 0.826115958994 0.450761129715} H28 58 1 1 {} {0.594543836766 0.781999239984 0.552705228059} H29 59 1 1 {} {0.560359803837 0.752157912561 0.465348174198} H30 60 1 1 {} {0.643258003757 0.752859347033 0.285561535069} H31 61 1 1 {} {0.687773277512 0.806567383306 0.498402570134} H32 62 1 1 {} {0.644259974187 0.416499300137 0.332892406007} H33 63 1 1 {} {0.673174635089 0.399145355846 0.484558114781} H34 64 1 1 {} {0.526067549957 0.289756840496 0.392853675712} H35 65 1 1 {} {0.559552210892 0.36508752655 0.280116736914} H36 66 1 1 {} {0.525765361403 0.415967189736 0.5646352065} H37 67 1 1 {} {0.545795762413 0.297438174036 0.566293109453} H38 68 1 1 {} {0.604126492483 0.434304139748 0.657742860295} H39 69 1 1 {} {0.62566674894 0.357814403992 0.655672711105} H40 70 1 1 {} {0.626622986008 0.269916734058 0.27623862058} H41 71 1 1 {} {0.611258841531 0.219878705973 0.360599526667} 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