#MD System 2.0 @Title neb0_image09 @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 {} {0.22331165711 0.525358879535 0.339385546522} C1 1 1 14 {} {0.277297735161 0.488399309837 0.297573595669} Si1 2 1 14 {} {0.176627029076 0.53386967977 0.258392790586} Si2 3 1 8 {} {0.289871026562 0.521564393568 0.199767824099} O1 4 1 8 {} {0.317181857291 0.508677896283 0.368537543381} O2 5 1 6 {} {0.275289985933 0.395186685594 0.290511553041} C2 6 1 6 {} {0.145087611417 0.454140178404 0.240625375254} C3 7 1 8 {} {0.201120963036 0.559701798574 0.164104458884} O3 8 1 8 {} {0.141268890536 0.595002100493 0.285264093119} O4 9 1 14 {} {0.368792721045 0.5374844606 0.373530048455} Si3 10 1 7 {} {0.403474741011 0.474601833892 0.415491111565} N1 11 1 14 {} {0.457155385168 0.472985778748 0.373353414727} Si4 12 1 14 {} {0.383109357102 0.420533368296 0.497845644687} Si5 13 1 7 {} {0.353952333494 0.458324490056 0.583462801039} N2 14 1 7 {} {0.476011107979 0.551661273258 0.375409932936} N3 15 1 1 {} {0.211713909877 0.496751549919 0.397870193941} H1 16 1 1 {} {0.231150498973 0.576181281901 0.363570810307} H2 17 1 1 {} {0.264320279096 0.541575180887 0.169043931879} H3 18 1 1 {} {0.270140191522 0.372238627736 0.356395971083} H4 19 1 1 {} {0.307019838862 0.376196390839 0.263740469347} H5 20 1 1 {} {0.248520609967 0.37808550492 0.245824391426} H6 21 1 1 {} {0.118573052539 0.460310492216 0.190580380312} H7 22 1 1 {} {0.129560875728 0.436378735109 0.302810967591} H8 23 1 1 {} {0.167504031801 0.414339112672 0.217007393979} H9 24 1 1 {} {0.182648758551 0.582771126327 0.120885279731} H10 25 1 1 {} {0.112907220976 0.582651411357 0.311354496316} H11 26 1 1 {} {0.385082644472 0.557556569913 0.283712450466} H12 27 1 1 {} {0.367579556798 0.59643897685 0.4346863439} H13 28 1 1 {} {0.481895135392 0.420909068704 0.426892900508} H14 29 1 1 {} {0.460067760444 0.455688372276 0.277600959575} H15 30 1 1 {} {0.351583169762 0.371281160323 0.457824994779} H16 31 1 1 {} {0.422555641869 0.386207429113 0.537355716313} H17 32 1 1 {} {0.322333084818 0.474744546082 0.572517061675} H18 33 1 1 {} {0.369967722589 0.488652162702 0.627469034397} H19 34 1 1 {} {0.502534378524 0.567932930028 0.334398608275} H20 35 1 1 {} {0.483138164615 0.575923289411 0.438257451729} H21 36 1 6 {} {0.636992145074 0.640437751449 0.473165727952} C4 37 1 14 {} {0.597391698188 0.576936337719 0.426410110294} Si6 38 1 14 {} {0.634527997048 0.727037475421 0.42855086068} Si7 39 1 8 {} {0.59496648372 0.584821295684 0.315621813131} O5 40 1 8 {} {0.617066957909 0.501816565468 0.449609310799} O6 41 1 6 {} {0.543445963751 0.583689482228 0.478757229774} C5 42 1 6 {} {0.586928448585 0.777580363585 0.473151884711} C6 43 1 8 {} {0.630192917731 0.716331012376 0.317934314384} O7 44 1 8 {} {0.682125818335 0.768472048894 0.444121595356} O8 45 1 14 {} {0.627684416465 0.424032450653 0.421701948325} Si8 46 1 7 {} {0.582388370967 0.371853573004 0.440177960794} N4 47 1 14 {} {0.562814929768 0.322450151892 0.351326353861} Si9 48 1 14 {} {0.557537716463 0.368493619154 0.546035240878} Si10 49 1 7 {} {0.59302723235 0.387269247808 0.633429706999} N5 50 1 7 {} {0.597827756608 0.259936444101 0.314124988023} N6 51 1 1 {} {0.632706247655 0.641973972221 0.546344142876} H22 52 1 1 {} {0.670971424939 0.621702741175 0.460860236763} H23 53 1 1 {} {0.607414183462 0.627316503908 0.29391462303} H24 54 1 1 {} {0.54076760823 0.573042864866 0.547139792907} H25 55 1 1 {} {0.521631262709 0.544588428724 0.445292813872} H26 56 1 1 {} {0.526063428134 0.632835360566 0.463765705705} H27 57 1 1 {} {0.586175417237 0.827987289012 0.44379218525} H28 58 1 1 {} {0.588988417728 0.78306921634 0.54610814328} H29 59 1 1 {} {0.554858157694 0.753384010913 0.457976373542} H30 60 1 1 {} {0.638232723884 0.753745653137 0.280031974055} H31 61 1 1 {} {0.682473234727 0.803505674193 0.488739902589} H32 62 1 1 {} {0.639232844429 0.41893500409 0.325036766011} H33 63 1 1 {} {0.666870057678 0.403616429718 0.47658234542} H34 64 1 1 {} {0.521040306211 0.290583326631 0.384259703148} H35 65 1 1 {} {0.554637354217 0.365479587889 0.271809781565} H36 66 1 1 {} {0.520607034034 0.417847715495 0.552805751894} H37 67 1 1 {} {0.540486626645 0.299100110425 0.55814475852} H38 68 1 1 {} {0.59946841982 0.435888268699 0.648342263223} H39 69 1 1 {} {0.619939086326 0.358131284516 0.646494646392} H40 70 1 1 {} {0.622459900343 0.270965802779 0.269858983603} H41 71 1 1 {} {0.607386337151 0.222139845684 0.355332647534} 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