#MD System 2.0 @Title neb0_image07 @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 {} {0.219802427898 0.526191795747 0.333528416305} C1 1 1 14 {} {0.273453535521 0.488973889502 0.291706747109} Si1 2 1 14 {} {0.17321404644 0.534634278084 0.252757561482} Si2 3 1 8 {} {0.286129523861 0.520633049591 0.193126458412} O1 4 1 8 {} {0.312712218632 0.510889375686 0.363183508049} O2 5 1 6 {} {0.271932528006 0.395727180363 0.285426892338} C2 6 1 6 {} {0.141769034028 0.454874028704 0.235098054952} C3 7 1 8 {} {0.197643174388 0.561327865056 0.158963935147} O3 8 1 8 {} {0.137793752371 0.595057552315 0.280873760857} O4 9 1 14 {} {0.364454297447 0.538437215633 0.367082294461} Si3 10 1 7 {} {0.396792012329 0.472531342234 0.407971480139} N1 11 1 14 {} {0.447284017865 0.469522893121 0.352769230911} Si4 12 1 14 {} {0.378745726628 0.419961337547 0.493884210773} Si5 13 1 7 {} {0.350005449971 0.458407369934 0.579415417124} N2 14 1 7 {} {0.452511811381 0.560315490308 0.335016333657} N3 15 1 1 {} {0.208361502007 0.497500706378 0.392031538285} H1 16 1 1 {} {0.228050649361 0.576891190639 0.357612812803} H2 17 1 1 {} {0.261002038859 0.542242761908 0.162841218361} H3 18 1 1 {} {0.266695788936 0.372427011267 0.350973626679} H4 19 1 1 {} {0.30361945758 0.376522450896 0.258711539183} H5 20 1 1 {} {0.24516000536 0.378841313704 0.240581869878} H6 21 1 1 {} {0.115232493157 0.46117659388 0.185056489229} H7 22 1 1 {} {0.126162154188 0.437369848774 0.297412387429} H8 23 1 1 {} {0.164048216927 0.414817494834 0.211693587307} H9 24 1 1 {} {0.178899030145 0.583748433988 0.115341117373} H10 25 1 1 {} {0.109360818577 0.582407064253 0.306589059399} H11 26 1 1 {} {0.380713146609 0.557862770975 0.277706970161} H12 27 1 1 {} {0.364590276874 0.596877658954 0.42937258378} H13 28 1 1 {} {0.478322231889 0.429743226682 0.414859172247} H14 29 1 1 {} {0.453939500286 0.443847904177 0.261373868801} H15 30 1 1 {} {0.34750779378 0.370185280612 0.453423630153} H16 31 1 1 {} {0.419232389647 0.386759491797 0.531486494963} H17 32 1 1 {} {0.318702148006 0.475563855296 0.567240975732} H18 33 1 1 {} {0.366107018291 0.489564883174 0.622223943882} H19 34 1 1 {} {0.490801974791 0.563278707614 0.32022631039} H20 35 1 1 {} {0.448200647265 0.581689484266 0.397904506898} H21 36 1 6 {} {0.646935292867 0.642216811264 0.478819594745} C4 37 1 14 {} {0.608404190368 0.579014604254 0.438973372635} Si6 38 1 14 {} {0.639017139706 0.727696525833 0.433161260405} Si7 39 1 8 {} {0.59503193404 0.58625904279 0.330565919077} O5 40 1 8 {} {0.623683749552 0.501116155096 0.454946666039} O6 41 1 6 {} {0.55814460103 0.586132796139 0.50748041112} C5 42 1 6 {} {0.590490119284 0.776681237744 0.478704310402} C6 43 1 8 {} {0.633697979974 0.715684909524 0.323057730534} O7 44 1 8 {} {0.685999999018 0.770335269655 0.448287239528} O8 45 1 14 {} {0.631687074599 0.422664238572 0.428132257417} Si8 46 1 7 {} {0.58574850171 0.37090569437 0.444753127671} N4 47 1 14 {} {0.566473562036 0.321794364504 0.357291132452} Si9 48 1 14 {} {0.561371937579 0.367685710297 0.553032877669} Si10 49 1 7 {} {0.597040600616 0.386405718016 0.637451157636} N5 50 1 7 {} {0.60082436611 0.258447017744 0.318254490922} N6 51 1 1 {} {0.638044673932 0.641536825803 0.550529699148} H22 52 1 1 {} {0.681327398644 0.62544454631 0.468161653238} H23 53 1 1 {} {0.608880026945 0.625108531844 0.300822670746} H24 54 1 1 {} {0.55606155379 0.58214563153 0.580958956067} H25 55 1 1 {} {0.549694192284 0.533420118209 0.479957425661} H26 56 1 1 {} {0.535235870239 0.625827644289 0.479707605955} H27 57 1 1 {} {0.589682273953 0.827156824683 0.44908572293} H28 58 1 1 {} {0.592429165023 0.782599295265 0.551655754628} H29 59 1 1 {} {0.558232563329 0.753018856039 0.463559145367} H30 60 1 1 {} {0.641475254478 0.752863273093 0.284639623504} H31 61 1 1 {} {0.686000189158 0.804051704607 0.494423582719} H32 62 1 1 {} {0.642597276247 0.418233839609 0.330276388006} H33 63 1 1 {} {0.670820281188 0.402704706892 0.482586388873} H34 64 1 1 {} {0.524621320403 0.289961912665 0.390063399323} H35 65 1 1 {} {0.558100283202 0.364969819855 0.277707686226} H36 66 1 1 {} {0.524342626894 0.417137209298 0.561849797379} H37 67 1 1 {} {0.54396146468 0.297882277503 0.563968697024} H38 68 1 1 {} {0.602671379377 0.434905928366 0.654348475339} H39 69 1 1 {} {0.623922717435 0.357386116647 0.652777350167} H40 70 1 1 {} {0.625611726382 0.270171802537 0.274847263035} H41 71 1 1 {} {0.610461711966 0.220933163033 0.359501219017} 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