#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 {} {0.3689051719 0.576840084253 0.411973893921} C1 1 1 14 {} {0.346391328297 0.550215128828 0.522747862949} Si1 2 1 14 {} {0.430294060018 0.585066037285 0.407738562582} Si2 3 1 8 {} {0.359762143965 0.606636703397 0.598801248194} O1 4 1 8 {} {0.291104518916 0.548478715775 0.515762640562} O2 5 1 6 {} {0.365316588118 0.464815968284 0.557097515861} C2 6 1 6 {} {0.457435455879 0.501148000349 0.392941764169} C3 7 1 8 {} {0.444043489601 0.619724241169 0.506279177529} O3 8 1 8 {} {0.442284274093 0.636554822879 0.324112854645} O4 9 1 14 {} {0.241078678353 0.553134202056 0.556666728923} Si3 10 1 7 {} {0.221584228771 0.474866527098 0.590688152875} N1 11 1 14 {} {0.199270883725 0.466575692721 0.698146433332} Si4 12 1 14 {} {0.222161924368 0.407248918245 0.515456992116} Si5 13 1 7 {} {0.216062836505 0.428334597745 0.405016533061} N2 14 1 7 {} {0.14878228701 0.505484552374 0.718401431294} N3 15 1 1 {} {0.359158022031 0.541055395072 0.359635694088} H1 16 1 1 {} {0.353733606136 0.625324834697 0.394786246257} H2 17 1 1 {} {0.389638757098 0.624870519685 0.58841733211} H3 18 1 1 {} {0.356799052428 0.426194124985 0.507703696331} H4 19 1 1 {} {0.349653417468 0.450816372386 0.620821968708} H5 20 1 1 {} {0.401699510985 0.46370040471 0.567291706465} H6 21 1 1 {} {0.493746228278 0.506556287351 0.390635935843} H7 22 1 1 {} {0.446744263457 0.477251688165 0.33042420514} H8 23 1 1 {} {0.448960079187 0.466351928085 0.447042788366} H9 24 1 1 {} {0.4750844886 0.6330325698 0.512129761654} H10 25 1 1 {} {0.473457720468 0.634980960369 0.305901211975} H11 26 1 1 {} {0.239501072637 0.597367807376 0.63701365229} H12 27 1 1 {} {0.212199666639 0.581214318802 0.484877217038} H13 28 1 1 {} {0.192653241957 0.393495601537 0.712405273413} H14 29 1 1 {} {0.230815967007 0.495799824218 0.764102959121} H15 30 1 1 {} {0.265393034466 0.370546022816 0.521390083456} H16 31 1 1 {} {0.184500404994 0.36273619162 0.542160823245} H17 32 1 1 {} {0.243109439869 0.443090884712 0.369142849222} H18 33 1 1 {} {0.188149207021 0.451938350445 0.383031879909} H19 34 1 1 {} {0.14801047259 0.555110134929 0.733235805954} H20 35 1 1 {} {0.120813340321 0.491651805766 0.684819022145} H21 36 1 6 {} {0.624032283851 0.61688694748 0.351152979321} C4 37 1 14 {} {0.580727947632 0.555357964871 0.38917379376} Si6 38 1 14 {} {0.617334344021 0.705496153599 0.387392458046} Si7 39 1 8 {} {0.533751769223 0.599037573914 0.384736312663} O5 40 1 8 {} {0.578161954304 0.491551442046 0.32109827249} O6 41 1 6 {} {0.589572119035 0.521896417221 0.503741621779} C5 42 1 6 {} {0.633846805994 0.721729446542 0.505466528607} C6 43 1 8 {} {0.562599349912 0.721726233989 0.376263614018} O7 44 1 8 {} {0.644070040929 0.755525913645 0.317155049501} O8 45 1 14 {} {0.57215140859 0.429717566659 0.249651221287} Si8 46 1 7 {} {0.58453245697 0.351476603955 0.292701054213} N4 47 1 14 {} {0.541009048933 0.294735486005 0.31527494843} Si9 48 1 14 {} {0.639117116159 0.325493297274 0.317067730748} Si10 49 1 7 {} {0.680169515315 0.371534871177 0.265805306843} N5 50 1 7 {} {0.51725150682 0.251428563043 0.228234372687} N6 51 1 1 {} {0.658076706147 0.600360784928 0.367136247274} H22 52 1 1 {} {0.622244180481 0.617090988289 0.277657251218} H23 53 1 1 {} {0.539657868002 0.647872295959 0.379858123271} H24 54 1 1 {} {0.6211468375 0.494309764935 0.508641596341} H25 55 1 1 {} {0.562671493431 0.487020508615 0.521713336165} H26 56 1 1 {} {0.590088422639 0.562008405518 0.553866872912} H27 57 1 1 {} {0.628178183083 0.774389466249 0.523692391638} H28 58 1 1 {} {0.669313230014 0.710161517418 0.515775177096} H29 59 1 1 {} {0.61440405889 0.690914417796 0.552351308437} H30 60 1 1 {} {0.550579658724 0.76652480112 0.372948432249} H31 61 1 1 {} {0.661569886695 0.791371147663 0.342632474693} H32 62 1 1 {} {0.524637611592 0.427235341005 0.220948974712} H33 63 1 1 {} {0.601293861742 0.444953590334 0.171952005815} H34 64 1 1 {} {0.560837747985 0.243781607959 0.37636062024} H35 65 1 1 {} {0.504063993363 0.332348948066 0.358456764319} H36 66 1 1 {} {0.648514787185 0.331351092051 0.41452228517} H37 67 1 1 {} {0.642922101044 0.254067828145 0.288786367626} H38 68 1 1 {} {0.693630947842 0.412120170013 0.296155642995} H39 69 1 1 {} {0.683163050049 0.374452464257 0.198404276661} H40 70 1 1 {} {0.494738598119 0.27416205628 0.187459498229} H41 71 1 1 {} {0.53456257965 0.215634365791 0.194514826187} 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 20 5 0 0 19 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 20 {0 0 0} 0 28 5 19 {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