#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 {} {0.205465350806 0.533099552416 0.306250463857} C1 1 1 14 {} {0.258491982002 0.491531833381 0.273331137035} Si1 2 1 14 {} {0.15742973133 0.536157102215 0.228991775321} Si2 3 1 8 {} {0.268636127276 0.508493637974 0.164259260995} O1 4 1 8 {} {0.303423457387 0.510650865612 0.333379312908} O2 5 1 6 {} {0.256106868031 0.398801209915 0.268316559413} C2 6 1 6 {} {0.125318375759 0.456729214454 0.21315702772} C3 7 1 8 {} {0.178787902298 0.557117868493 0.131255974268} O3 8 1 8 {} {0.1246570961 0.595697524107 0.27043159763} O4 9 1 14 {} {0.353239295355 0.545145308288 0.349410289511} Si3 10 1 7 {} {0.388566348247 0.483532628823 0.390367240515} N1 11 1 14 {} {0.438458398967 0.469455753211 0.335444997308} Si4 12 1 14 {} {0.369865562552 0.426238072455 0.473295689508} Si5 13 1 7 {} {0.333662374605 0.454736191163 0.556591346041} N2 14 1 7 {} {0.460584241179 0.548073856726 0.340085850207} N3 15 1 1 {} {0.194719480043 0.503629175569 0.363657517207} H1 16 1 1 {} {0.216797084764 0.583636073196 0.325664119002} H2 17 1 1 {} {0.250075763561 0.544697649554 0.133369698796} H3 18 1 1 {} {0.249901156978 0.367898320383 0.327702803658} H4 19 1 1 {} {0.287034989502 0.375360888047 0.243810129774} H5 20 1 1 {} {0.229612123719 0.38522755937 0.221276442802} H6 21 1 1 {} {0.100466715606 0.468049117127 0.159862294298} H7 22 1 1 {} {0.107866858576 0.441198318983 0.274898085884} H8 23 1 1 {} {0.147590797773 0.416043976412 0.189973464693} H9 24 1 1 {} {0.159240655325 0.588276612049 0.0946381666423} H10 25 1 1 {} {0.0948044618537 0.580689692105 0.290711315352} H11 26 1 1 {} {0.369301162483 0.565986244026 0.266114617159} H12 27 1 1 {} {0.350363602041 0.599637218157 0.407881130864} H13 28 1 1 {} {0.462149006187 0.419399764942 0.3867199291} H14 29 1 1 {} {0.440542647111 0.450694974336 0.244379357903} H15 30 1 1 {} {0.339820870505 0.377659952473 0.427222182942} H16 31 1 1 {} {0.409122523249 0.387963568843 0.506589223717} H17 32 1 1 {} {0.303993687107 0.472244037351 0.537024774057} H18 33 1 1 {} {0.346079411168 0.495849299639 0.595818201919} H19 34 1 1 {} {0.488854218895 0.565851910342 0.30334510147} H20 35 1 1 {} {0.46130091528 0.579415955703 0.391411490576} H21 36 1 6 {} {0.656792841361 0.64005296127 0.498876832568} C4 37 1 14 {} {0.616601399588 0.574183565782 0.463657078513} Si6 38 1 14 {} {0.65069820962 0.726049195435 0.45579727261} Si7 39 1 8 {} {0.60173744734 0.58607124171 0.354569029343} O5 40 1 8 {} {0.642831796087 0.502656825089 0.480629517303} O6 41 1 6 {} {0.562581202311 0.579151704537 0.526637934835} C5 42 1 6 {} {0.604184099378 0.778752716668 0.50522723561} C6 43 1 8 {} {0.647920817274 0.712347041919 0.344959437399} O7 44 1 8 {} {0.696724791499 0.775669763104 0.463224071992} O8 45 1 14 {} {0.648049637753 0.423208012782 0.457469622351} Si8 46 1 7 {} {0.60457017401 0.36788720119 0.465831449508} N4 47 1 14 {} {0.586357514396 0.320008292029 0.380053173041} Si9 48 1 14 {} {0.572957389385 0.359165014219 0.557874136744} Si10 49 1 7 {} {0.622290314297 0.387742364874 0.655691576634} N5 50 1 7 {} {0.607635054435 0.255547996019 0.324679199236} N6 51 1 1 {} {0.65438171407 0.639356713121 0.571667357744} H22 52 1 1 {} {0.692495673325 0.630120517836 0.483651699233} H23 53 1 1 {} {0.621956480936 0.620768312072 0.323708348566} H24 54 1 1 {} {0.555299829634 0.578109608369 0.600711841828} H25 55 1 1 {} {0.547630866177 0.534691550263 0.492907107189} H26 56 1 1 {} {0.543512152298 0.623947742699 0.49928775919} H27 57 1 1 {} {0.603410524874 0.827850640765 0.4704389714} H28 58 1 1 {} {0.605526059113 0.785882511523 0.578798753589} H29 59 1 1 {} {0.571663542817 0.755705343318 0.49089840103} H30 60 1 1 {} {0.657669401244 0.749071439338 0.304803454066} H31 61 1 1 {} {0.699032117491 0.802749196149 0.513393904248} H32 62 1 1 {} {0.657154387613 0.417352135036 0.354248188306} H33 63 1 1 {} {0.688011251435 0.403481755032 0.51222651546} H34 64 1 1 {} {0.540392172733 0.298829294443 0.413816714715} H35 65 1 1 {} {0.574143861559 0.367465668397 0.301078534167} H36 66 1 1 {} {0.535314302826 0.403696139945 0.593515669054} H37 67 1 1 {} {0.564402128364 0.285681217246 0.590529211981} H38 68 1 1 {} {0.612372410785 0.430948825618 0.674406032467} H39 69 1 1 {} {0.635913211967 0.36025200523 0.680911959096} H40 70 1 1 {} {0.63478723765 0.266488547261 0.287946708197} H41 71 1 1 {} {0.618344893664 0.211487896409 0.369045545265} 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