#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 {} {0.365576045237 0.565973314944 0.412695119139} C1 1 1 14 {} {0.342545164514 0.539463675457 0.523188634604} Si1 2 1 14 {} {0.42713071441 0.576407779994 0.408181573928} Si2 3 1 8 {} {0.355653390483 0.596067862415 0.599155258808} O1 4 1 8 {} {0.287378743965 0.537886648664 0.51603705512} O2 5 1 6 {} {0.361327389764 0.45424068598 0.557833637228} C2 6 1 6 {} {0.45761049213 0.495336717159 0.393493703566} C3 7 1 8 {} {0.440154939371 0.611841983568 0.506747482018} O3 8 1 8 {} {0.439619759806 0.628618093097 0.325517833843} O4 9 1 14 {} {0.237182070444 0.542252763455 0.557240425832} Si3 10 1 7 {} {0.217463562907 0.464086698553 0.591517305757} N1 11 1 14 {} {0.195008256327 0.45579594744 0.698977137701} Si4 12 1 14 {} {0.217992588609 0.396386229324 0.516450080634} Si5 13 1 7 {} {0.211890790263 0.417600990918 0.405998084455} N2 14 1 7 {} {0.14452479782 0.494763124529 0.719299729636} N3 15 1 1 {} {0.355846730043 0.530291395564 0.360240870428} H1 16 1 1 {} {0.350264550058 0.614364769669 0.395462162024} H2 17 1 1 {} {0.385484514389 0.614495686745 0.589472252809} H3 18 1 1 {} {0.352692409646 0.415594857041 0.508553154319} H4 19 1 1 {} {0.345645857838 0.440335471094 0.621532753129} H5 20 1 1 {} {0.397673732914 0.452945391172 0.567829492125} H6 21 1 1 {} {0.493518089068 0.504898087021 0.390537782599} H7 22 1 1 {} {0.448235623859 0.471125269384 0.330338033113} H8 23 1 1 {} {0.45142047524 0.45995662051 0.448155376877} H9 24 1 1 {} {0.471119928669 0.625282502732 0.513359208274} H10 25 1 1 {} {0.471424208997 0.628223593062 0.311885570031} H11 26 1 1 {} {0.235379873279 0.586405602515 0.63759876534} H12 27 1 1 {} {0.208179328039 0.570338099611 0.485731895089} H13 28 1 1 {} {0.188300521611 0.382724060538 0.713278603448} H14 29 1 1 {} {0.226516968808 0.484997140761 0.765040409875} H15 30 1 1 {} {0.261249423389 0.359800022466 0.522278991675} H16 31 1 1 {} {0.180363817355 0.351816428712 0.543101556973} H17 32 1 1 {} {0.238903895846 0.43230739188 0.370026285957} H18 33 1 1 {} {0.183892165955 0.441053638736 0.383930247696} H19 34 1 1 {} {0.143770813656 0.544404180058 0.734156654109} H20 35 1 1 {} {0.116514763364 0.481029230155 0.685653727499} H21 36 1 6 {} {0.62561060015 0.626743615138 0.350388451415} C4 37 1 14 {} {0.582697126891 0.564409636064 0.387926317316} Si6 38 1 14 {} {0.619582007524 0.715126633732 0.387088729785} Si7 39 1 8 {} {0.533379746676 0.602900975189 0.382698111341} O5 40 1 8 {} {0.582715823545 0.499984480087 0.320788664883} O6 41 1 6 {} {0.593080915659 0.532203015292 0.502897922953} C5 42 1 6 {} {0.637572179102 0.732121262777 0.504281087443} C6 43 1 8 {} {0.564678764986 0.730116369174 0.375651269838} O7 44 1 8 {} {0.647100536831 0.764555552973 0.317132302044} O8 45 1 14 {} {0.576280271305 0.439279968942 0.247847797756} Si8 46 1 7 {} {0.588784214681 0.36124459438 0.290973710647} N4 47 1 14 {} {0.545166657117 0.30494004167 0.314468879808} Si9 48 1 14 {} {0.643386214274 0.3358640128 0.316233506386} Si10 49 1 7 {} {0.684431130472 0.382069450655 0.265003770812} N5 50 1 7 {} {0.521352761705 0.261902812067 0.227462913531} N6 51 1 1 {} {0.659017828134 0.608498711484 0.369036715744} H22 52 1 1 {} {0.624380263844 0.627420298636 0.276741613075} H23 53 1 1 {} {0.536759734572 0.652035679651 0.378450729091} H24 54 1 1 {} {0.625154844843 0.505492727478 0.505999227221} H25 55 1 1 {} {0.566813753844 0.496812270517 0.522935244299} H26 56 1 1 {} {0.593878914746 0.57276927384 0.552467363474} H27 57 1 1 {} {0.632305215968 0.784901165912 0.522411170898} H28 58 1 1 {} {0.673157884504 0.720706750942 0.513617181662} H29 59 1 1 {} {0.618577966836 0.701571973347 0.552032846509} H30 60 1 1 {} {0.55401758388 0.775840836266 0.372570120059} H31 61 1 1 {} {0.665059692009 0.800163551906 0.34215617363} H32 62 1 1 {} {0.528639207787 0.437297742874 0.21910415251} H33 63 1 1 {} {0.605557415398 0.455344878147 0.170412189896} H34 64 1 1 {} {0.565129356143 0.254151783661 0.375609324349} H35 65 1 1 {} {0.508358282618 0.342926259318 0.357723566415} H36 66 1 1 {} {0.652667304026 0.34196846115 0.413719717434} H37 67 1 1 {} {0.64722486266 0.264447537971 0.288058159386} H38 68 1 1 {} {0.697754447692 0.422810260239 0.295326312312} H39 69 1 1 {} {0.687423523463 0.384988776168 0.197693119491} H40 70 1 1 {} {0.499019096471 0.284974068598 0.186544212328} H41 71 1 1 {} {0.538749796806 0.226238887779 0.193602175329} 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