#MD System 2.0 @Title neb0_image08 @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 {} {0.362125615263 0.525979625071 0.423392224694} C1 1 1 14 {} {0.343473371812 0.492161763457 0.534704018972} Si1 2 1 14 {} {0.415949266545 0.572133415878 0.417459191324} Si2 3 1 8 {} {0.346791363121 0.552288489971 0.610006371465} O1 4 1 8 {} {0.290591433007 0.469850742231 0.526711871018} O2 5 1 6 {} {0.375186048129 0.41611877885 0.569953835916} C2 6 1 6 {} {0.464649506524 0.516091173606 0.41135257163} C3 7 1 8 {} {0.418417363785 0.613591241969 0.514995439494} O3 8 1 8 {} {0.416280016667 0.62260598339 0.329001092817} O4 9 1 14 {} {0.238277649337 0.475583848443 0.557223007014} Si3 10 1 7 {} {0.218627916237 0.396916130679 0.588698780426} N1 11 1 14 {} {0.182625028425 0.392659072407 0.680617928231} Si4 12 1 14 {} {0.234228835116 0.326911887872 0.524683979107} Si5 13 1 7 {} {0.235461437596 0.33918328175 0.411056761387} N2 14 1 7 {} {0.135082179967 0.440920017088 0.673475839729} N3 15 1 1 {} {0.362363628795 0.485253543744 0.373552822067} H1 16 1 1 {} {0.336427247063 0.561985019353 0.401311191821} H2 17 1 1 {} {0.370551828283 0.584497551063 0.596900683586} H3 18 1 1 {} {0.371841038712 0.37506734433 0.521551199657} H4 19 1 1 {} {0.362513922764 0.398067729307 0.634478829942} H5 20 1 1 {} {0.410901860117 0.427049107473 0.578285288759} H6 21 1 1 {} {0.497777465102 0.540477029583 0.412416431714} H7 22 1 1 {} {0.462601640156 0.48337946758 0.351966208811} H8 23 1 1 {} {0.462327322934 0.484510079339 0.471227464931} H9 24 1 1 {} {0.444560055199 0.641254751858 0.524917586013} H10 25 1 1 {} {0.445856672964 0.627400793233 0.303308110031} H11 26 1 1 {} {0.232536122661 0.521320233899 0.635191512247} H12 27 1 1 {} {0.212798246209 0.502252749427 0.479507499714} H13 28 1 1 {} {0.169762497592 0.320936032795 0.688811007917} H14 29 1 1 {} {0.205685940193 0.417068404681 0.762463936316} H15 30 1 1 {} {0.280172407434 0.305265728003 0.549624541109} H16 31 1 1 {} {0.201088841197 0.273525135425 0.545074948778} H17 32 1 1 {} {0.26186853451 0.363334727459 0.383233361703} H18 33 1 1 {} {0.206977817358 0.350024328608 0.37718316016} H19 34 1 1 {} {0.134916667181 0.488544068332 0.697117374385} H20 35 1 1 {} {0.112437549047 0.435004501921 0.623658733716} H21 36 1 6 {} {0.579857830541 0.35732917247 0.308199779354} C4 37 1 14 {} {0.576746407934 0.388337580907 0.427178990683} Si6 38 1 14 {} {0.56350284212 0.268464314685 0.2902163799} Si7 39 1 8 {} {0.607271935269 0.3404046756 0.493342682727} O5 40 1 8 {} {0.597044162415 0.465378893001 0.430544969443} O6 41 1 6 {} {0.518056855425 0.392034274136 0.464645720579} C5 42 1 6 {} {0.502549945453 0.257924042392 0.266796748079} C6 43 1 8 {} {0.578741808558 0.229869017371 0.384582017083} O7 44 1 8 {} {0.593185234189 0.231617713043 0.210309891738} O8 45 1 14 {} {0.640887610075 0.510848792363 0.459077971643} Si8 46 1 7 {} {0.625295535473 0.591956260024 0.48581744597} N4 47 1 14 {} {0.632072091226 0.619847659996 0.596497430721} Si9 48 1 14 {} {0.60151915742 0.645714669027 0.407234599694} Si10 49 1 7 {} {0.612707711202 0.626203186524 0.297564840852} N5 50 1 7 {} {0.684790219075 0.639712330981 0.633004533215} N6 51 1 1 {} {0.560072110968 0.389490050069 0.263096312748} H22 52 1 1 {} {0.61502857665 0.362614219031 0.287616708884} H23 53 1 1 {} {0.602397678624 0.293526929991 0.476728444499} H24 54 1 1 {} {0.501648549025 0.42210541044 0.413522417899} H25 55 1 1 {} {0.515201703043 0.418315425138 0.528925657568} H26 56 1 1 {} {0.500475235285 0.343757208052 0.468358673583} H27 57 1 1 {} {0.493267424079 0.204800422626 0.262184933407} H28 58 1 1 {} {0.493241611122 0.282032035577 0.20342285922} H29 59 1 1 {} {0.482148290322 0.280727612861 0.319634631936} H30 60 1 1 {} {0.581485216518 0.181545748548 0.382408183435} H31 61 1 1 {} {0.579930688512 0.227502373875 0.151676914377} H32 62 1 1 {} {0.662924835407 0.482182502297 0.539553330464} H33 63 1 1 {} {0.67253043544 0.510540283086 0.382368865154} H34 64 1 1 {} {0.604415073242 0.681808027117 0.602745473244} H35 65 1 1 {} {0.615567423214 0.566687161083 0.657914486517} H36 66 1 1 {} {0.551746267706 0.644905724014 0.41452718309} H37 67 1 1 {} {0.618472510506 0.71453633209 0.4249167876} H38 68 1 1 {} {0.596194066225 0.588002935062 0.267090003202} H39 69 1 1 {} {0.644302082645 0.630098447592 0.273096214594} H40 70 1 1 {} {0.706092830886 0.602480284283 0.6504860173} H41 71 1 1 {} {0.701725674226 0.678610800818 0.605683386707} 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