#MD System 2.0 @Title neb0_image08 @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 {} {0.370872907069 0.581972898206 0.411483587127} C1 1 1 14 {} {0.348279186987 0.555102679596 0.522196348606} Si1 2 1 14 {} {0.432485742815 0.589254307826 0.40716535768} Si2 3 1 8 {} {0.36162412288 0.611795236468 0.598107525188} O1 4 1 8 {} {0.293156541995 0.552940821702 0.51523039951} O2 5 1 6 {} {0.367379176058 0.469832591677 0.556628098413} C2 6 1 6 {} {0.458086819429 0.504762778087 0.3926145268} C3 7 1 8 {} {0.446058352052 0.624174089004 0.505897270098} O3 8 1 8 {} {0.444257721984 0.641815831689 0.324500509814} O4 9 1 14 {} {0.243070828103 0.557838033078 0.556205172904} Si3 10 1 7 {} {0.223499680982 0.479722035993 0.590271323006} N1 11 1 14 {} {0.201179132255 0.47148366873 0.697746776497} Si4 12 1 14 {} {0.224122630666 0.412091551677 0.515113250508} Si5 13 1 7 {} {0.218057197226 0.43298564218 0.404583185423} N2 14 1 7 {} {0.15074028461 0.510458962628 0.718128820374} N3 15 1 1 {} {0.361144705862 0.546097319386 0.359012003092} H1 16 1 1 {} {0.35564735754 0.630622236197 0.394207101593} H2 17 1 1 {} {0.391525746875 0.629897185783 0.587953440438} H3 18 1 1 {} {0.358804549401 0.431238057798 0.507272599204} H4 19 1 1 {} {0.351643105561 0.455989379043 0.620253266663} H5 20 1 1 {} {0.403708119555 0.468654976188 0.566843257707} H6 21 1 1 {} {0.494340506523 0.509697925842 0.390514262809} H7 22 1 1 {} {0.447591748678 0.480718016397 0.33015190861} H8 23 1 1 {} {0.449604770153 0.469625274962 0.446365829022} H9 24 1 1 {} {0.476838267017 0.638603738226 0.511755770677} H10 25 1 1 {} {0.475254728195 0.641415541925 0.305716799394} H11 26 1 1 {} {0.24150193745 0.602178607659 0.63642984542} H12 27 1 1 {} {0.214259338998 0.5860204277 0.484415144242} H13 28 1 1 {} {0.194517171534 0.398399231349 0.712070003907} H14 29 1 1 {} {0.232755693772 0.50066803549 0.763737281076} H15 30 1 1 {} {0.267389559373 0.375438343565 0.521035302968} H16 31 1 1 {} {0.186498173567 0.367528476208 0.541803119686} H17 32 1 1 {} {0.245071198193 0.447941584284 0.368862740424} H18 33 1 1 {} {0.190119136633 0.456736853721 0.38270110925} H19 34 1 1 {} {0.149997718179 0.560104922447 0.732808602261} H20 35 1 1 {} {0.122768112043 0.496695683604 0.684393795468} H21 36 1 6 {} {0.622484623533 0.611730850903 0.351630320784} C4 37 1 14 {} {0.579398177699 0.550525608906 0.389737799411} Si6 38 1 14 {} {0.615410406227 0.700475391474 0.387783533765} Si7 39 1 8 {} {0.533080931269 0.595529145709 0.384893009323} O5 40 1 8 {} {0.576436057359 0.486833250891 0.321567634785} O6 41 1 6 {} {0.587761110719 0.516996907669 0.504041741414} C5 42 1 6 {} {0.631782603002 0.716789717245 0.50600244253} C6 43 1 8 {} {0.560800870216 0.717519659214 0.376676674393} O7 44 1 8 {} {0.641869273388 0.750847106484 0.317354106808} O8 45 1 14 {} {0.570250893661 0.425004770695 0.25035892015} Si8 46 1 7 {} {0.582559793259 0.346594406224 0.292988754796} N4 47 1 14 {} {0.539056175914 0.289725924742 0.315736096611} Si9 48 1 14 {} {0.637144372578 0.320560872661 0.317507245556} Si10 49 1 7 {} {0.678206233741 0.366643146261 0.26624215238} N5 50 1 7 {} {0.51525084239 0.24642074698 0.228757479894} N6 51 1 1 {} {0.656626087928 0.595822296132 0.367042467895} H22 52 1 1 {} {0.620563651858 0.61206626868 0.278232234411} H23 53 1 1 {} {0.539024877705 0.644830307295 0.379893194218} H24 54 1 1 {} {0.619186566807 0.489352838 0.509227559634} H25 55 1 1 {} {0.560908072753 0.482198117536 0.521815133415} H26 56 1 1 {} {0.588213477671 0.55687417947 0.554252954722} H27 57 1 1 {} {0.626162770687 0.76951149517 0.524064733621} H28 58 1 1 {} {0.667256661279 0.705176035686 0.515855861637} H29 59 1 1 {} {0.612417289591 0.685955646785 0.553015748099} H30 60 1 1 {} {0.548731140992 0.762407419781 0.373269494333} H31 61 1 1 {} {0.659583537824 0.786328792636 0.343129071389} H32 62 1 1 {} {0.522752772585 0.422328482751 0.221409326198} H33 63 1 1 {} {0.599291067026 0.439975135722 0.172436348787} H34 64 1 1 {} {0.558921142136 0.238753520145 0.376794621665} H35 65 1 1 {} {0.502116988605 0.327424180662 0.358977263095} H36 66 1 1 {} {0.646535882455 0.326425249778 0.415022499315} H37 67 1 1 {} {0.64098064775 0.249097435336 0.289268222202} H38 68 1 1 {} {0.69171446269 0.407236977564 0.296597039633} H39 69 1 1 {} {0.681212983191 0.369468534591 0.19886438833} H40 70 1 1 {} {0.492800489657 0.269274626554 0.187935800053} H41 71 1 1 {} {0.53257743081 0.210728259886 0.194994351487} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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