#MD System 2.0 @Title neb0_image06 @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 {} {0.216282212919 0.526684188733 0.327656743248} C1 1 1 14 {} {0.270071816308 0.489550788158 0.285953875801} Si1 2 1 14 {} {0.169612155292 0.535023358007 0.246819292165} Si2 3 1 8 {} {0.282602397257 0.521647952626 0.187531890396} O1 4 1 8 {} {0.309806500275 0.510805556661 0.3569544008} O2 5 1 6 {} {0.268330993441 0.396366658372 0.279485526099} C2 6 1 6 {} {0.138035113202 0.455370941251 0.229040624815} C3 7 1 8 {} {0.194135909907 0.561599863101 0.152988095562} O3 8 1 8 {} {0.134170735656 0.595649696874 0.274543449863} O4 9 1 14 {} {0.361335146681 0.539245411275 0.361952099204} Si3 10 1 7 {} {0.395011151561 0.474977830318 0.403279008312} N1 11 1 14 {} {0.44748049902 0.472555555536 0.355321752337} Si4 12 1 14 {} {0.375652580646 0.4213584482 0.487536208708} Si5 13 1 7 {} {0.346612069317 0.459382500771 0.57284414598} N2 14 1 7 {} {0.46135360424 0.557649014959 0.349972760817} N3 15 1 1 {} {0.204719529735 0.498116028465 0.386183353274} H1 16 1 1 {} {0.224278222528 0.577517504593 0.351640808967} H2 17 1 1 {} {0.257350359338 0.542885952781 0.157225426042} H3 18 1 1 {} {0.263091278804 0.373187146958 0.345131940336} H4 19 1 1 {} {0.299996687667 0.377179418694 0.252728084511} H5 20 1 1 {} {0.241520539723 0.379507965794 0.23472767694} H6 21 1 1 {} {0.111490161408 0.461780789262 0.179079165317} H7 22 1 1 {} {0.122459189131 0.437894040993 0.291356241667} H8 23 1 1 {} {0.160304768899 0.415360000005 0.205563494762} H9 24 1 1 {} {0.17545409022 0.584214197147 0.109625855096} H10 25 1 1 {} {0.105757907524 0.583263212651 0.300474639945} H11 26 1 1 {} {0.377750313249 0.558909907324 0.272372593944} H12 27 1 1 {} {0.360692821954 0.597771202391 0.423593328318} H13 28 1 1 {} {0.474847719211 0.425762754626 0.412653020375} H14 29 1 1 {} {0.451691702583 0.451192294372 0.261080070376} H15 30 1 1 {} {0.344326841 0.371993542683 0.446913740278} H16 31 1 1 {} {0.415588370033 0.38752828233 0.525772947872} H17 32 1 1 {} {0.315141319242 0.476137423711 0.561149402586} H18 33 1 1 {} {0.362615043481 0.490243186352 0.616210942566} H19 34 1 1 {} {0.492493260474 0.566122920018 0.319129290176} H20 35 1 1 {} {0.463194076341 0.578837276591 0.411895939015} H21 36 1 6 {} {0.646818989116 0.640338262171 0.484668080571} C4 37 1 14 {} {0.607907732889 0.576647170964 0.440646069946} Si6 38 1 14 {} {0.642017433766 0.72632691401 0.439336632438} Si7 39 1 8 {} {0.60028867921 0.584559468477 0.33121653139} O5 40 1 8 {} {0.625712631328 0.500534405416 0.460842902123} O6 41 1 6 {} {0.554162153277 0.58340863051 0.499172940937} C5 42 1 6 {} {0.593984332859 0.776209166505 0.484304544792} C6 43 1 8 {} {0.638007812746 0.714724112792 0.328962610763} O7 44 1 8 {} {0.689213874971 0.768314493278 0.455179694681} O8 45 1 14 {} {0.635027981323 0.422337917734 0.433640718049} Si8 46 1 7 {} {0.589360859448 0.370377969148 0.45096199088} N4 47 1 14 {} {0.5699782181 0.321302666176 0.363207872321} Si9 48 1 14 {} {0.564679168398 0.367250878534 0.558516413659} Si10 49 1 7 {} {0.600152797336 0.385930562179 0.643900549919} N5 50 1 7 {} {0.604662730342 0.258289372846 0.324827437807} N6 51 1 1 {} {0.64052286991 0.640788087818 0.557172785125} H22 52 1 1 {} {0.680990295685 0.622458053159 0.472930026276} H23 53 1 1 {} {0.613665570341 0.625201645427 0.305908374952} H24 54 1 1 {} {0.553123776589 0.576144772098 0.571827186301} H25 55 1 1 {} {0.538483635948 0.538850347826 0.468840768276} H26 56 1 1 {} {0.535742299173 0.628835332864 0.480067251221} H27 57 1 1 {} {0.593188006297 0.826705412477 0.454937922894} H28 58 1 1 {} {0.596078150254 0.781866061545 0.557281512875} H29 59 1 1 {} {0.561769896713 0.752348779695 0.469415780148} H30 60 1 1 {} {0.64532050557 0.752377450652 0.290894071798} H31 61 1 1 {} {0.689473266414 0.802807968002 0.500386471655} H32 62 1 1 {} {0.646215326422 0.417674242559 0.336232706835} H33 63 1 1 {} {0.674199750991 0.402315589816 0.48820550495} H34 64 1 1 {} {0.52814833676 0.289430841023 0.395880569454} H35 65 1 1 {} {0.561709745294 0.364307827691 0.283494683156} H36 66 1 1 {} {0.527489405477 0.4165082222 0.565829665987} H37 67 1 1 {} {0.547511652949 0.297461454349 0.569783242756} H38 68 1 1 {} {0.606269824692 0.434462988976 0.65999888699} H39 69 1 1 {} {0.627075949694 0.356828402035 0.658256603676} H40 70 1 1 {} {0.629298432059 0.269629333788 0.280824006618} H41 71 1 1 {} {0.614168711133 0.220475375493 0.365867148188} 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