#MD System 2.0 @Title neb0_image02 @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 {} {0.360050260755 0.551415701509 0.413672252409} C1 1 1 14 {} {0.336713053701 0.52482021455 0.52436150163} Si1 2 1 14 {} {0.421657449982 0.562220906328 0.409388782547} Si2 3 1 8 {} {0.34987748309 0.5815863202 0.600300537965} O1 4 1 8 {} {0.281743037554 0.523025554068 0.517211065961} O2 5 1 6 {} {0.355627761623 0.439599281486 0.559043775014} C2 6 1 6 {} {0.452875759062 0.481941691173 0.394720699522} C3 7 1 8 {} {0.43462999012 0.597181431116 0.508237340627} O3 8 1 8 {} {0.434736134169 0.613618918424 0.326316499918} O4 9 1 14 {} {0.231355172073 0.527557001116 0.558537214848} Si3 10 1 7 {} {0.211690609 0.449558230634 0.592795289429} N1 11 1 14 {} {0.189246475646 0.441218577486 0.700240482834} Si4 12 1 14 {} {0.212157553254 0.381890862886 0.517697793542} Si5 13 1 7 {} {0.206118313159 0.403155104093 0.407299335205} N2 14 1 7 {} {0.138792948833 0.480207751961 0.720459164106} N3 15 1 1 {} {0.350048097962 0.515677703573 0.361358997357} H1 16 1 1 {} {0.344447837978 0.59976773582 0.396647888352} H2 17 1 1 {} {0.379752590797 0.599928245926 0.590768774481} H3 18 1 1 {} {0.346915181947 0.40102838377 0.509693612497} H4 19 1 1 {} {0.339892713573 0.425770596678 0.622732201842} H5 20 1 1 {} {0.391962826106 0.438357078007 0.56904413338} H6 21 1 1 {} {0.488946736135 0.491516969529 0.39164417867} H7 22 1 1 {} {0.44330172833 0.457643978068 0.331737327395} H8 23 1 1 {} {0.446685522623 0.446404660925 0.449222695815} H9 24 1 1 {} {0.465386417701 0.61172007974 0.514402696142} H10 25 1 1 {} {0.466739677168 0.61602078872 0.315108964863} H11 26 1 1 {} {0.229666825892 0.571856641879 0.63879205977} H12 27 1 1 {} {0.202464804 0.555767602106 0.486900902639} H13 28 1 1 {} {0.182558045355 0.3681160232 0.714507839816} H14 29 1 1 {} {0.22077455269 0.470434542824 0.766319711478} H15 30 1 1 {} {0.255445309074 0.345269198975 0.523487702273} H16 31 1 1 {} {0.174566331714 0.337244983926 0.544325324762} H17 32 1 1 {} {0.233129624166 0.417728860514 0.37126067776} H18 33 1 1 {} {0.178121355691 0.426499013999 0.385084321802} H19 34 1 1 {} {0.138012777065 0.529830038092 0.735380390228} H20 35 1 1 {} {0.110764717697 0.466460481979 0.686898098088} H21 36 1 6 {} {0.630774154829 0.641156626587 0.349321821163} C4 37 1 14 {} {0.587671186786 0.578698063781 0.386696326952} Si6 38 1 14 {} {0.625120569884 0.729678010903 0.385831309483} Si7 39 1 8 {} {0.537445331317 0.614571074424 0.381157443138} O5 40 1 8 {} {0.588343659702 0.514204398513 0.31953153261} O6 41 1 6 {} {0.598683067909 0.546762592549 0.50161226946} C5 42 1 6 {} {0.64333049278 0.74671340546 0.5029860801} C6 43 1 8 {} {0.570283372456 0.744481613286 0.374343715141} O7 44 1 8 {} {0.652914211848 0.779035969764 0.315979112864} O8 45 1 14 {} {0.582090037809 0.453865505455 0.24653635306} Si8 46 1 7 {} {0.5945496463 0.375713205889 0.289650921638} N4 47 1 14 {} {0.551001857133 0.319519366418 0.313263065919} Si9 48 1 14 {} {0.649204397334 0.350465987145 0.314954151071} Si10 49 1 7 {} {0.690179749727 0.396669808051 0.263836981432} N5 50 1 7 {} {0.527045333235 0.276273908465 0.226151660425} N6 51 1 1 {} {0.664171055289 0.622837109492 0.368092921059} H22 52 1 1 {} {0.63001858653 0.641985819375 0.275683959878} H23 53 1 1 {} {0.53987405725 0.663634596007 0.376499882521} H24 54 1 1 {} {0.630803413737 0.520211100202 0.504433667703} H25 55 1 1 {} {0.572580592961 0.511249177636 0.522008147} H26 56 1 1 {} {0.599602353178 0.587327642977 0.551175010172} H27 57 1 1 {} {0.638073548689 0.799490949266 0.521192022172} H28 58 1 1 {} {0.678925193143 0.735310599489 0.512367156099} H29 59 1 1 {} {0.624344453061 0.716177371831 0.550765361377} H30 60 1 1 {} {0.55985535216 0.790337310797 0.371449516823} H31 61 1 1 {} {0.670817342341 0.814723508419 0.341058483368} H32 62 1 1 {} {0.534430182543 0.451836801171 0.217878995984} H33 63 1 1 {} {0.611318154527 0.46993477613 0.169119236937} H34 64 1 1 {} {0.57092053682 0.268714730034 0.374338373671} H35 65 1 1 {} {0.514172396609 0.357334942518 0.356467701994} H36 66 1 1 {} {0.658435390169 0.356548045417 0.412474017086} H37 67 1 1 {} {0.653003520798 0.279047747518 0.286855898255} H38 68 1 1 {} {0.703526364748 0.437428095479 0.294129045736} H39 69 1 1 {} {0.693192311545 0.399579969918 0.19644908186} H40 70 1 1 {} {0.50485854927 0.299522323229 0.185337977004} H41 71 1 1 {} {0.544506221623 0.240852957841 0.192322208462} 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