#MD System 2.0 @Title neb0_image07 @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 {} {0.218023919999 0.526326307831 0.330825836943} C1 1 1 14 {} {0.271989207782 0.489360428875 0.289017409965} Si1 2 1 14 {} {0.171338925402 0.534847812459 0.249840959447} Si2 3 1 8 {} {0.284589994919 0.522533510904 0.19121033183} O1 4 1 8 {} {0.311938407289 0.509649368899 0.359959265616} O2 5 1 6 {} {0.270003067422 0.396167043939 0.281948119563} C2 6 1 6 {} {0.139806497929 0.455116915156 0.232074055225} C3 7 1 8 {} {0.195836423536 0.560665811781 0.155534046852} O3 8 1 8 {} {0.135989808775 0.595970012676 0.276707023998} O4 9 1 14 {} {0.363437376598 0.538494443888 0.365040365882} Si3 10 1 7 {} {0.398246173994 0.47563452256 0.40662964233} N1 11 1 14 {} {0.452244113222 0.473995996741 0.365422559439} Si4 12 1 14 {} {0.377724035787 0.421518499425 0.489631033259} Si5 13 1 7 {} {0.348687611836 0.459222647435 0.574847543361} N2 14 1 7 {} {0.473471049011 0.553514732909 0.370655925862} N3 15 1 1 {} {0.206429585924 0.497724381079 0.389308000673} H1 16 1 1 {} {0.225865699659 0.577153137366 0.355009633789} H2 17 1 1 {} {0.259033769119 0.542549145795 0.160480252493} H3 18 1 1 {} {0.264854219958 0.373210951307 0.347831092712} H4 19 1 1 {} {0.301734230997 0.377165412315 0.255176805069} H5 20 1 1 {} {0.243235920728 0.379058348104 0.23726218322} H6 21 1 1 {} {0.113288312548 0.461281897264 0.182020123647} H7 22 1 1 {} {0.124274229309 0.437350884276 0.294249278025} H8 23 1 1 {} {0.162219352833 0.415311016852 0.208446196529} H9 24 1 1 {} {0.177362567927 0.583741847117 0.112322174402} H10 25 1 1 {} {0.107620797409 0.583623944357 0.302791587313} H11 26 1 1 {} {0.37982135531 0.558523784799 0.275137871704} H12 27 1 1 {} {0.36229964985 0.597400935158 0.426106032652} H13 28 1 1 {} {0.476657141842 0.421765702201 0.418431659591} H14 29 1 1 {} {0.454751777082 0.456740832118 0.269053508578} H15 30 1 1 {} {0.346310518958 0.372263679899 0.449201024698} H16 31 1 1 {} {0.417268986579 0.387189536639 0.528761000734} H17 32 1 1 {} {0.317062590726 0.475726382327 0.563939598939} H18 33 1 1 {} {0.364679570947 0.489620252096 0.618871794438} H19 34 1 1 {} {0.497428449881 0.56881276808 0.325951287213} H20 35 1 1 {} {0.479617991903 0.576163163897 0.430909212902} H21 36 1 6 {} {0.642185480722 0.639464464761 0.481814924182} C4 37 1 14 {} {0.602730945356 0.575693721714 0.434299847066} Si6 38 1 14 {} {0.639813906508 0.726132529955 0.437057476774} Si7 39 1 8 {} {0.600302403966 0.583902066016 0.324248762585} O5 40 1 8 {} {0.622339784838 0.500988264026 0.458236832489} O6 41 1 6 {} {0.546357108396 0.581802267608 0.484295256404} C5 42 1 6 {} {0.592219483071 0.776589487073 0.481735621666} C6 43 1 8 {} {0.635458384386 0.715364746208 0.326540747316} O7 44 1 8 {} {0.687405254599 0.767478165145 0.452684052588} O8 45 1 14 {} {0.63292572913 0.4229325503 0.430268967392} Si8 46 1 7 {} {0.587678786432 0.37094877639 0.448765068918} N4 47 1 14 {} {0.568181180744 0.321388920641 0.359862552596} Si9 48 1 14 {} {0.562819057436 0.367503268127 0.554428058594} Si10 49 1 7 {} {0.598290572586 0.386324845152 0.642000695105} N5 50 1 7 {} {0.603072667253 0.25898676352 0.32266418302} N6 51 1 1 {} {0.638012304567 0.64102249793 0.554944919351} H22 52 1 1 {} {0.676223852322 0.62069392552 0.469422839032} H23 53 1 1 {} {0.612705596697 0.626328820456 0.302476042259} H24 54 1 1 {} {0.545861842813 0.571930407307 0.555325254462} H25 55 1 1 {} {0.524656226191 0.544670053208 0.452230256333} H26 56 1 1 {} {0.531213036421 0.631823217075 0.472231043003} H27 57 1 1 {} {0.591463345966 0.827010483189 0.452354670134} H28 58 1 1 {} {0.594274654622 0.782102876891 0.554672341001} H29 59 1 1 {} {0.5601443203 0.752418439371 0.466533498944} H30 60 1 1 {} {0.643519896899 0.752774109876 0.28859676925} H31 61 1 1 {} {0.68776261092 0.802534405406 0.497303074124} H32 62 1 1 {} {0.64452421465 0.417981207172 0.333607391014} H33 63 1 1 {} {0.672162915071 0.402663315754 0.485147615644} H34 64 1 1 {} {0.526315218766 0.289631156266 0.392837341052} H35 65 1 1 {} {0.559918246794 0.364516035068 0.280360769557} H36 66 1 1 {} {0.525829124384 0.416916345304 0.561260432726} H37 67 1 1 {} {0.545774962436 0.298130925074 0.566720281735} H38 68 1 1 {} {0.604759741819 0.434911464735 0.656905749378} H39 69 1 1 {} {0.625220133555 0.357161160225 0.655042323737} H40 70 1 1 {} {0.627739499287 0.269997755149 0.278438460725} H41 71 1 1 {} {0.612672034535 0.22118744962 0.36388956772} 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