#MD System 2.0 @Title neb0_image05 @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 {} {0.214499632791 0.526995864702 0.323692528473} C1 1 1 14 {} {0.268203777937 0.489367375524 0.282863417267} Si1 2 1 14 {} {0.167817790476 0.535169621147 0.243739483749} Si2 3 1 8 {} {0.280814985449 0.519558666573 0.183341063263} O1 4 1 8 {} {0.306789204189 0.512119880231 0.354978884571} O2 5 1 6 {} {0.266320400263 0.396050837941 0.277078774506} C2 6 1 6 {} {0.13640895091 0.455457678104 0.225951403314} C3 7 1 8 {} {0.191754815008 0.562294901483 0.149433873946} O3 8 1 8 {} {0.132222519754 0.595344842368 0.273369534542} O4 9 1 14 {} {0.358488546436 0.539447948635 0.358517471987} Si3 10 1 7 {} {0.391815720085 0.474000852649 0.397272007239} N1 11 1 14 {} {0.44385567423 0.472491322041 0.346109491622} Si4 12 1 14 {} {0.373556175529 0.421146809455 0.482766481508} Si5 13 1 7 {} {0.344875613944 0.459440739941 0.569231819359} N2 14 1 7 {} {0.45529169727 0.556747879243 0.334433977874} N3 15 1 1 {} {0.203136766727 0.498945284365 0.382755486032} H1 16 1 1 {} {0.222842182495 0.577738831245 0.347470057318} H2 17 1 1 {} {0.256034924959 0.542653706744 0.153633629461} H3 18 1 1 {} {0.260775582712 0.37262695218 0.342542708345} H4 19 1 1 {} {0.297911697182 0.376696429737 0.250037619028} H5 20 1 1 {} {0.23954033045 0.379710592305 0.231826179562} H6 21 1 1 {} {0.109907909403 0.462132166136 0.176106568015} H7 22 1 1 {} {0.120714935721 0.438454837845 0.288267601477} H8 23 1 1 {} {0.158185510503 0.414830009747 0.202651404461} H9 24 1 1 {} {0.172839446742 0.585033886801 0.106879531687} H10 25 1 1 {} {0.104006870792 0.581656430863 0.298722461379} H11 26 1 1 {} {0.374460082733 0.559230031717 0.269306979389} H12 27 1 1 {} {0.358844962604 0.597561919339 0.421570130814} H13 28 1 1 {} {0.473332147703 0.431885882661 0.403692791267} H14 29 1 1 {} {0.446103260184 0.441757751788 0.253981097046} H15 30 1 1 {} {0.34191725018 0.370730171125 0.445809441474} H16 31 1 1 {} {0.413491297559 0.387871576382 0.522620559824} H17 32 1 1 {} {0.313173566151 0.476168341775 0.558189561891} H18 33 1 1 {} {0.360349383823 0.490707512919 0.612861883351} H19 34 1 1 {} {0.487181855565 0.564410018916 0.311942962649} H20 35 1 1 {} {0.449788129276 0.58412014299 0.391762605375} H21 36 1 6 {} {0.652861853189 0.640924654642 0.487876323002} C4 37 1 14 {} {0.611841369082 0.577206167957 0.44782065776} Si6 38 1 14 {} {0.645278926028 0.727077200386 0.441916249408} Si7 39 1 8 {} {0.599152441895 0.586219368827 0.341580865963} O5 40 1 8 {} {0.630826376513 0.501024396334 0.465164420581} O6 41 1 6 {} {0.559188055617 0.581284234503 0.511618520983} C5 42 1 6 {} {0.596419359445 0.775980712716 0.487006504248} C6 43 1 8 {} {0.639704335296 0.715443674631 0.331854294571} O7 44 1 8 {} {0.691989511294 0.77148622865 0.455261720776} O8 45 1 14 {} {0.637678392063 0.422326359797 0.436871411686} Si8 46 1 7 {} {0.591435310481 0.371295391735 0.454269984851} N4 47 1 14 {} {0.571254521061 0.321630042756 0.365064191216} Si9 48 1 14 {} {0.566983210626 0.366297104872 0.561217319083} Si10 49 1 7 {} {0.60171357885 0.38570717428 0.646775539162} N5 50 1 7 {} {0.605720324192 0.257911227755 0.327135136416} N6 51 1 1 {} {0.646602126768 0.64250355089 0.560389280942} H22 52 1 1 {} {0.688304664567 0.627198134914 0.477703546128} H23 53 1 1 {} {0.613281795741 0.623761119049 0.311330508484} H24 54 1 1 {} {0.562519669849 0.582268342062 0.585364579196} H25 55 1 1 {} {0.542771534422 0.534555971596 0.490368090554} H26 56 1 1 {} {0.538760319356 0.624092080142 0.490702747375} H27 57 1 1 {} {0.595254334977 0.826637670997 0.457755343347} H28 58 1 1 {} {0.598302155997 0.782153743837 0.559955034556} H29 59 1 1 {} {0.564148461888 0.75208024027 0.472172158274} H30 60 1 1 {} {0.647183765941 0.752056862208 0.292030603999} H31 61 1 1 {} {0.692111781303 0.804337198271 0.50329452042} H32 62 1 1 {} {0.648174494063 0.417284949417 0.339981946378} H33 63 1 1 {} {0.676656406285 0.401016479386 0.491502020246} H34 64 1 1 {} {0.529744956802 0.289402020652 0.399580321121} H35 65 1 1 {} {0.563449659434 0.364496618413 0.286201681663} H36 66 1 1 {} {0.529029136425 0.41488869854 0.569006189565} H37 67 1 1 {} {0.549736329449 0.296892924906 0.571923914369} H38 68 1 1 {} {0.607775722099 0.434862028271 0.663270372831} H39 69 1 1 {} {0.629312605804 0.356292952105 0.661272686193} H40 70 1 1 {} {0.630360923457 0.268940463192 0.282784489699} H41 71 1 1 {} {0.614895760555 0.219209179459 0.366373510634} 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