#MD System 2.0 @Title neb0_image09 @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 {} {0.224025073879 0.524552808296 0.340337740962} C1 1 1 14 {} {0.277903409854 0.486782551419 0.299587555223} Si1 2 1 14 {} {0.176652519212 0.533872999914 0.258791387763} Si2 3 1 8 {} {0.289336222472 0.521587003149 0.203211762431} O1 4 1 8 {} {0.32634480403 0.505871513935 0.356239183265} O2 5 1 6 {} {0.274961142147 0.395796925734 0.290950672591} C2 6 1 6 {} {0.144384560133 0.45435735931 0.240152531083} C3 7 1 8 {} {0.20048378854 0.559662047971 0.163168402992} O3 8 1 8 {} {0.13996047739 0.595010773858 0.283863727255} O4 9 1 14 {} {0.375745294029 0.546314207176 0.375947960632} Si3 10 1 7 {} {0.407988976308 0.483255374018 0.416295649011} N1 11 1 14 {} {0.463341510862 0.479446060112 0.36911129956} Si4 12 1 14 {} {0.381847133455 0.418937287866 0.502722361573} Si5 13 1 7 {} {0.352658604835 0.464111442937 0.586589399095} N2 14 1 7 {} {0.471665492837 0.550138655596 0.412382299452} N3 15 1 1 {} {0.210451986534 0.496827459235 0.398308075927} H1 16 1 1 {} {0.229981397906 0.576856324973 0.363652827226} H2 17 1 1 {} {0.265072448284 0.54144487762 0.17091410355} H3 18 1 1 {} {0.270174611707 0.372160492529 0.355456378349} H4 19 1 1 {} {0.30657918628 0.377234946576 0.264309342757} H5 20 1 1 {} {0.2490682691 0.378130203879 0.246991976413} H6 21 1 1 {} {0.117750006633 0.459379867864 0.189723662406} H7 22 1 1 {} {0.129268207083 0.43604368247 0.302777719521} H8 23 1 1 {} {0.167632362678 0.415080654151 0.216907361282} H9 24 1 1 {} {0.182919448136 0.582980975618 0.12010169665} H10 25 1 1 {} {0.112435066471 0.583767802037 0.311341676214} H11 26 1 1 {} {0.396342274948 0.581578571553 0.281488182838} H12 27 1 1 {} {0.367445876007 0.597444873006 0.435809381702} H13 28 1 1 {} {0.478015610252 0.411837465165 0.428182682779} H14 29 1 1 {} {0.463429317345 0.477090217925 0.286176405473} H15 30 1 1 {} {0.350271249434 0.369063588078 0.451193946807} H16 31 1 1 {} {0.427004326257 0.385283224615 0.536057455519} H17 32 1 1 {} {0.317793106757 0.47265866068 0.56633897905} H18 33 1 1 {} {0.375272548189 0.488972618001 0.628987693099} H19 34 1 1 {} {0.502674092065 0.544024725128 0.324324530696} H20 35 1 1 {} {0.476391215462 0.545265278448 0.450064288976} H21 36 1 6 {} {0.630840730426 0.662565815335 0.476479725674} C4 37 1 14 {} {0.600491822807 0.579856455437 0.44128515949} Si6 38 1 14 {} {0.626921417992 0.739288338336 0.424803950932} Si7 39 1 8 {} {0.602667094757 0.582997281793 0.314239850686} O5 40 1 8 {} {0.609634230414 0.499788055399 0.437811406248} O6 41 1 6 {} {0.538703403481 0.589479602361 0.485083734455} C5 42 1 6 {} {0.58645296285 0.778226442147 0.474537757514} C6 43 1 8 {} {0.631947686793 0.710251199956 0.317190489711} O7 44 1 8 {} {0.679804579784 0.754373712755 0.448520126478} O8 45 1 14 {} {0.626705129567 0.416780277965 0.421578510669} Si8 46 1 7 {} {0.579526426568 0.368755699794 0.437705547433} N4 47 1 14 {} {0.563812379718 0.32237423657 0.352258395645} Si9 48 1 14 {} {0.557834948796 0.370742674779 0.546670877001} Si10 49 1 7 {} {0.592776484288 0.387154189185 0.633680830667} N5 50 1 7 {} {0.598153367008 0.261370221207 0.316060151243} N6 51 1 1 {} {0.619923721815 0.6371644506 0.548469855431} H22 52 1 1 {} {0.663475152132 0.601976363927 0.436680706783} H23 53 1 1 {} {0.610052996107 0.62669655537 0.29631115196} H24 54 1 1 {} {0.525985610017 0.562671776564 0.552008929504} H25 55 1 1 {} {0.536172322503 0.546700003674 0.406637690341} H26 56 1 1 {} {0.532151457835 0.651396872935 0.466996230285} H27 57 1 1 {} {0.58854192726 0.825878225538 0.443327211973} H28 58 1 1 {} {0.589871412194 0.782072054491 0.546860090045} H29 59 1 1 {} {0.557280464299 0.750665877426 0.457881482974} H30 60 1 1 {} {0.638873489236 0.752580552638 0.288390001462} H31 61 1 1 {} {0.681886059137 0.801148591161 0.486704242001} H32 62 1 1 {} {0.639885965546 0.421296805552 0.323885766542} H33 63 1 1 {} {0.66755601675 0.403171455137 0.477238279571} H34 64 1 1 {} {0.522972067928 0.293758302522 0.385597864497} H35 65 1 1 {} {0.554792095157 0.366391379919 0.272518580757} H36 66 1 1 {} {0.520743600628 0.416573306948 0.547754893285} H37 67 1 1 {} {0.541178039789 0.300768645718 0.556562142221} H38 68 1 1 {} {0.599645026851 0.436932139344 0.649547963018} H39 69 1 1 {} {0.618239806684 0.357813422109 0.643597215693} H40 70 1 1 {} {0.622143466772 0.271627193017 0.270403777233} H41 71 1 1 {} {0.606762862861 0.223191247838 0.356067268926} 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