#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 {} {0.213208966648 0.527274142689 0.322736436643} C1 1 1 14 {} {0.26704698156 0.490135393991 0.281042486344} Si1 2 1 14 {} {0.166526006661 0.535617608499 0.241823543397} Si2 3 1 8 {} {0.279638315207 0.522709981553 0.18294669002} O1 4 1 8 {} {0.306937230652 0.510763300046 0.352129464695} O2 5 1 6 {} {0.265103424468 0.396964746939 0.274199770463} C2 6 1 6 {} {0.134963905287 0.455920643724 0.224152632662} C3 7 1 8 {} {0.190874624478 0.561746533106 0.147565988245} O3 8 1 8 {} {0.131131577226 0.596494852902 0.269258656741} O4 9 1 14 {} {0.358400128868 0.539527703564 0.35723923201} Si3 10 1 7 {} {0.392800764802 0.476173416618 0.398619980148} N1 11 1 14 {} {0.446440080717 0.474294691213 0.354924107418} Si4 12 1 14 {} {0.372759087231 0.42216086968 0.481939583851} Si5 13 1 7 {} {0.343673006592 0.460053947481 0.567298675963} N2 14 1 7 {} {0.465264654212 0.556067096171 0.35660642255} N3 15 1 1 {} {0.201588536995 0.498669922301 0.381211837032} H1 16 1 1 {} {0.221116270956 0.578109491145 0.346808839909} H2 17 1 1 {} {0.254274629022 0.543421392225 0.152324951065} H3 18 1 1 {} {0.25991131357 0.373839211103 0.3399203205} H4 19 1 1 {} {0.296801031697 0.377854900898 0.247459137926} H5 20 1 1 {} {0.238317110195 0.380015624149 0.229423880521} H6 21 1 1 {} {0.108445626258 0.462298248525 0.174113140493} H7 22 1 1 {} {0.119378348524 0.438328803717 0.286392362198} H8 23 1 1 {} {0.157282040485 0.415996946711 0.20055503089} H9 24 1 1 {} {0.172296831709 0.584761977265 0.10446114548} H10 25 1 1 {} {0.102739541372 0.584110703504 0.295197828237} H11 26 1 1 {} {0.374815926532 0.559438972902 0.267465119902} H12 27 1 1 {} {0.357429635267 0.598300914088 0.418395202885} H13 28 1 1 {} {0.471766964566 0.423913531168 0.409441739718} H14 29 1 1 {} {0.449362334947 0.455306521978 0.259115139689} H15 30 1 1 {} {0.341377045983 0.372953190548 0.441408307981} H16 31 1 1 {} {0.412436219943 0.388047591355 0.520702523295} H17 32 1 1 {} {0.312107095861 0.476633628373 0.555996721651} H18 33 1 1 {} {0.359659013179 0.490669013539 0.610976246798} H19 34 1 1 {} {0.491691213064 0.568235057302 0.316445476997} H20 35 1 1 {} {0.469827849844 0.577685566058 0.41734491384} H21 36 1 6 {} {0.648164777398 0.639170347998 0.489662615248} C4 37 1 14 {} {0.608856056959 0.575415331084 0.443666635709} Si6 38 1 14 {} {0.644879132574 0.725597537267 0.444692715186} Si7 39 1 8 {} {0.604239424614 0.583545278146 0.333949344108} O5 40 1 8 {} {0.627774551538 0.500106080712 0.466156259566} O6 41 1 6 {} {0.553093590422 0.581741222482 0.496515461895} C5 42 1 6 {} {0.597146455556 0.775783893462 0.48962917375} C6 43 1 8 {} {0.640377729387 0.714499546398 0.334293401433} O7 44 1 8 {} {0.692420315286 0.767000031775 0.460221894652} O8 45 1 14 {} {0.637943887849 0.422120713997 0.438439902416} Si8 46 1 7 {} {0.592566362137 0.369961073106 0.456422318957} N4 47 1 14 {} {0.573051908321 0.320660502516 0.368029640244} Si9 48 1 14 {} {0.567730355464 0.366661351171 0.562621905923} Si10 49 1 7 {} {0.602980218699 0.38534951628 0.648967893953} N5 50 1 7 {} {0.607827984478 0.257751613663 0.330085553883} N6 51 1 1 {} {0.643251236924 0.640195592989 0.562525919133} H22 52 1 1 {} {0.682245101595 0.620679172919 0.477368549461} H23 53 1 1 {} {0.617221434836 0.625052859164 0.31065417426} H24 54 1 1 {} {0.55266545772 0.572801814492 0.568806727982} H25 55 1 1 {} {0.533640356909 0.541738614083 0.464885745652} H26 56 1 1 {} {0.537121562398 0.630008085552 0.48221545999} H27 57 1 1 {} {0.596352396994 0.826191369952 0.460156102488} H28 58 1 1 {} {0.599182834703 0.781348136299 0.562572884463} H29 59 1 1 {} {0.565053729479 0.751682419974 0.474473886983} H30 60 1 1 {} {0.648425898164 0.751805879333 0.296189379419} H31 61 1 1 {} {0.692712120548 0.801836698705 0.505131692235} H32 62 1 1 {} {0.649394773633 0.417205291921 0.341471253743} H33 63 1 1 {} {0.677166895537 0.401915540823 0.493215142107} H34 64 1 1 {} {0.53122511654 0.28889656169 0.400892437684} H35 65 1 1 {} {0.564808871592 0.363693521967 0.288418839174} H36 66 1 1 {} {0.530560724593 0.415882568258 0.569823468938} H37 67 1 1 {} {0.550711391389 0.296989912918 0.574654229185} H38 68 1 1 {} {0.609525335782 0.434217061917 0.664887719031} H39 69 1 1 {} {0.630256514884 0.356113499535 0.66315541052} H40 70 1 1 {} {0.63241394787 0.269079382895 0.286126311317} H41 71 1 1 {} {0.617296057627 0.220108787641 0.37118457533} 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