#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 {} {0.218932848428 0.52597017258 0.333204942348} C1 1 1 14 {} {0.271939922099 0.488216537933 0.290914694611} Si1 2 1 14 {} {0.172704212815 0.534931195881 0.252749865753} Si2 3 1 8 {} {0.285882014899 0.521151197266 0.193822944493} O1 4 1 8 {} {0.309475562056 0.509889991267 0.365982292745} O2 5 1 6 {} {0.271570713694 0.395538827296 0.284861783275} C2 6 1 6 {} {0.141357433256 0.454934283174 0.234501671563} C3 7 1 8 {} {0.197155637474 0.561183542927 0.158077215913} O3 8 1 8 {} {0.136927867849 0.595664910559 0.279901725768} O4 9 1 14 {} {0.36220120502 0.537535254283 0.368369794222} Si3 10 1 7 {} {0.395665890826 0.470775171312 0.407767960457} N1 11 1 14 {} {0.44973460077 0.472053318853 0.358603645349} Si4 12 1 14 {} {0.378112487664 0.419381731855 0.493225130874} Si5 13 1 7 {} {0.349979998781 0.460282014522 0.577167400404} N2 14 1 7 {} {0.470625170923 0.552346856732 0.347706512494} N3 15 1 1 {} {0.207815761109 0.497434925339 0.392059715378} H1 16 1 1 {} {0.22756981403 0.576674938478 0.357022876092} H2 17 1 1 {} {0.260790273001 0.542166005926 0.162817355352} H3 18 1 1 {} {0.266503044863 0.372879978803 0.350820376781} H4 19 1 1 {} {0.303420133225 0.376975256132 0.258378282081} H5 20 1 1 {} {0.24509824859 0.378414952832 0.240342243705} H6 21 1 1 {} {0.114731524024 0.460820599893 0.184305580556} H7 22 1 1 {} {0.125886842041 0.437227668089 0.297136159649} H8 23 1 1 {} {0.163992366163 0.414979187179 0.21117404887} H9 24 1 1 {} {0.178940791085 0.58366605001 0.115204423607} H10 25 1 1 {} {0.109067824315 0.582806460873 0.306199048164} H11 26 1 1 {} {0.375240671683 0.557061033421 0.27600596635} H12 27 1 1 {} {0.364323697749 0.595273246961 0.428184644523} H13 28 1 1 {} {0.479394755204 0.429616615817 0.41363612857} H14 29 1 1 {} {0.451444934195 0.449594061724 0.269286166748} H15 30 1 1 {} {0.347013177524 0.369340552455 0.454241480173} H16 31 1 1 {} {0.418980641191 0.387776081849 0.529177672004} H17 32 1 1 {} {0.317788821699 0.474752877445 0.565922255835} H18 33 1 1 {} {0.36739259721 0.488638684453 0.621141314697} H19 34 1 1 {} {0.493509601783 0.571862639384 0.321368704304} H20 35 1 1 {} {0.461516699443 0.58080426821 0.400150181655} H21 36 1 6 {} {0.644610346379 0.646148092113 0.479956748114} C4 37 1 14 {} {0.606956561883 0.576723860699 0.437778088593} Si6 38 1 14 {} {0.638747523185 0.729874808947 0.432451342536} Si7 39 1 8 {} {0.596645430926 0.585202653278 0.329151344306} O5 40 1 8 {} {0.6251853106 0.499430749608 0.453564732071} O6 41 1 6 {} {0.55188988121 0.582126638562 0.497209872308} C5 42 1 6 {} {0.59152192438 0.775852531283 0.479150931517} C6 43 1 8 {} {0.63527036927 0.714965240045 0.32418570823} O7 44 1 8 {} {0.685060971634 0.770184884997 0.447980682888} O8 45 1 14 {} {0.632683635792 0.420657224591 0.428511883455} Si8 46 1 7 {} {0.585643323308 0.371632849524 0.444378429737} N4 47 1 14 {} {0.567520470697 0.322940337861 0.359326237291} Si9 48 1 14 {} {0.561662947854 0.368835848357 0.55360444023} Si10 49 1 7 {} {0.597231497232 0.38631169741 0.63917911456} N5 50 1 7 {} {0.601048548728 0.259580894647 0.319808625307} N6 51 1 1 {} {0.640912886126 0.643559111837 0.553105045102} H22 52 1 1 {} {0.677974428395 0.623767382397 0.46589465492} H23 53 1 1 {} {0.609526641725 0.626560238932 0.303058667508} H24 54 1 1 {} {0.554056882091 0.579341159258 0.568076709531} H25 55 1 1 {} {0.536116250455 0.53936628224 0.478924879217} H26 56 1 1 {} {0.532654960639 0.626692451902 0.481713313992} H27 57 1 1 {} {0.590821776764 0.825648915097 0.449053184484} H28 58 1 1 {} {0.593035131216 0.781872456732 0.551865882638} H29 59 1 1 {} {0.560006791056 0.751184601581 0.463278168306} H30 60 1 1 {} {0.641599969126 0.753243557573 0.286413804337} H31 61 1 1 {} {0.686596436389 0.804956407103 0.494504589542} H32 62 1 1 {} {0.643183122547 0.417676761313 0.330357882535} H33 63 1 1 {} {0.671110225153 0.400132782196 0.481592951269} H34 64 1 1 {} {0.525069675984 0.29076655936 0.390593419289} H35 65 1 1 {} {0.558046453671 0.365254211291 0.277713123101} H36 66 1 1 {} {0.524716268005 0.416556639255 0.559900392639} H37 67 1 1 {} {0.544598670781 0.298182961616 0.56349389532} H38 68 1 1 {} {0.602954705691 0.434527016994 0.654865122645} H39 69 1 1 {} {0.624121156598 0.357414644767 0.652313365747} H40 70 1 1 {} {0.625778240366 0.270367393917 0.27516026359} H41 71 1 1 {} {0.610430649819 0.22114198861 0.360258374319} 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