#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 {} {0.212511055322 0.527211935767 0.322688174352} C1 1 1 14 {} {0.266032648721 0.490222189682 0.280004764753} Si1 2 1 14 {} {0.165727601166 0.535999664271 0.241096945462} Si2 3 1 8 {} {0.27918106559 0.524840399533 0.183214195029} O1 4 1 8 {} {0.305618568236 0.509814603297 0.351015457619} O2 5 1 6 {} {0.264486832766 0.397193425739 0.27273041537} C2 6 1 6 {} {0.134102013649 0.456241490711 0.223237899443} C3 7 1 8 {} {0.190400322342 0.561646125428 0.146453159867} O3 8 1 8 {} {0.130237375824 0.597215137209 0.2669124753} O4 9 1 14 {} {0.357786019081 0.539007654468 0.356423772088} Si3 10 1 7 {} {0.392776713585 0.476838710745 0.398682490956} N1 11 1 14 {} {0.4478733621 0.473862945671 0.360627979227} Si4 12 1 14 {} {0.372096279469 0.42261026107 0.48263509463} Si5 13 1 7 {} {0.343367295781 0.461007123762 0.565485795683} N2 14 1 7 {} {0.474612725519 0.553646326534 0.371589373061} N3 15 1 1 {} {0.200724404078 0.498373611885 0.380910180636} H1 16 1 1 {} {0.22020708477 0.578353627759 0.346461835643} H2 17 1 1 {} {0.253282405024 0.543658072147 0.151724886401} H3 18 1 1 {} {0.25960818162 0.374773483402 0.338806726647} H4 19 1 1 {} {0.296324831053 0.378563522907 0.246386112113} H5 20 1 1 {} {0.237834688154 0.379951708203 0.228403296109} H6 21 1 1 {} {0.107542199022 0.462143271417 0.172863213196} H7 22 1 1 {} {0.118665912825 0.438143956788 0.285657855466} H8 23 1 1 {} {0.157060412666 0.416835695426 0.199455085707} H9 24 1 1 {} {0.172310134367 0.584457536615 0.103532994681} H10 25 1 1 {} {0.102157315342 0.585522272935 0.293352254553} H11 26 1 1 {} {0.37398538058 0.559888667914 0.264877177309} H12 27 1 1 {} {0.357001724087 0.598074913558 0.416353297417} H13 28 1 1 {} {0.472240653107 0.418580385359 0.413851371277} H14 29 1 1 {} {0.449983077272 0.462825712529 0.263797036745} H15 30 1 1 {} {0.3410146178 0.373682055791 0.4396585051} H16 31 1 1 {} {0.411767546536 0.388669016043 0.518962176777} H17 32 1 1 {} {0.311339193578 0.476474161593 0.554530311496} H18 33 1 1 {} {0.359900779327 0.489962499874 0.60950690084} H19 34 1 1 {} {0.495227723525 0.574657462572 0.316160573629} H20 35 1 1 {} {0.482264642518 0.575778633114 0.432461741956} H21 36 1 6 {} {0.645373578702 0.639535072215 0.490955267578} C4 37 1 14 {} {0.606827200828 0.573567067852 0.440630763019} Si6 38 1 14 {} {0.644597629731 0.725474822952 0.445549016799} Si7 39 1 8 {} {0.607512411665 0.581428540256 0.328521028582} O5 40 1 8 {} {0.627124989892 0.499078391532 0.46665716721} O6 41 1 6 {} {0.548211474967 0.580384124726 0.486262900273} C5 42 1 6 {} {0.597779609319 0.775293622518 0.490882559423} C6 43 1 8 {} {0.641282262489 0.713761774224 0.335794706732} O7 44 1 8 {} {0.69222686397 0.765128013935 0.461682273261} O8 45 1 14 {} {0.638359858886 0.421519598297 0.439901652967} Si8 46 1 7 {} {0.592909155368 0.368961475738 0.455401699147} N4 47 1 14 {} {0.575047779359 0.320430724375 0.371659238995} Si9 48 1 14 {} {0.567101614479 0.367306443562 0.561986109975} Si10 49 1 7 {} {0.605921007581 0.386765998147 0.653959062715} N5 50 1 7 {} {0.607814428705 0.259088204469 0.332989998247} N6 51 1 1 {} {0.643085294071 0.640105722883 0.564530648169} H22 52 1 1 {} {0.678237565343 0.617258360153 0.476944006933} H23 53 1 1 {} {0.619107974655 0.626774550327 0.310808584387} H24 54 1 1 {} {0.547935727369 0.567009627257 0.55736948869} H25 55 1 1 {} {0.523943581138 0.54658157155 0.454434114257} H26 56 1 1 {} {0.535004040198 0.633313054702 0.477784092312} H27 57 1 1 {} {0.597218823573 0.825258331893 0.46108863246} H28 58 1 1 {} {0.599768064957 0.780616042033 0.563730219513} H29 59 1 1 {} {0.566083195487 0.75082401495 0.475277476313} H30 60 1 1 {} {0.648924546103 0.751887384567 0.298804930759} H31 61 1 1 {} {0.693127410232 0.801529105534 0.506571822755} H32 62 1 1 {} {0.650250160488 0.416758464428 0.341241699838} H33 63 1 1 {} {0.677382329976 0.400931250677 0.493409956453} H34 64 1 1 {} {0.531974780171 0.288974577808 0.40123058795} H35 65 1 1 {} {0.565247555801 0.36354094824 0.289083102379} H36 66 1 1 {} {0.531542999297 0.416250300242 0.569370699707} H37 67 1 1 {} {0.551418968276 0.296943866892 0.575835211781} H38 68 1 1 {} {0.6101685057 0.430506725254 0.664851738327} H39 69 1 1 {} {0.629399961744 0.357964885104 0.663298790688} H40 70 1 1 {} {0.634139515955 0.269643750291 0.286248249461} H41 71 1 1 {} {0.618374228003 0.220178324391 0.374549132494} 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