#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 {} {0.205369309054 0.528998372458 0.309324863481} C1 1 1 14 {} {0.259279176389 0.491450204349 0.268227304441} Si1 2 1 14 {} {0.158386902451 0.537063293875 0.229060313676} Si2 3 1 8 {} {0.271612332034 0.522843192596 0.169362618957} O1 4 1 8 {} {0.299372085654 0.512112232268 0.338469717947} O2 5 1 6 {} {0.256926864301 0.398236557052 0.261997502541} C2 6 1 6 {} {0.126708930261 0.457506839498 0.211506945295} C3 7 1 8 {} {0.182361928896 0.562760559593 0.134130607731} O3 8 1 8 {} {0.123213039023 0.598062592656 0.257666118385} O4 9 1 14 {} {0.350739287247 0.541133206202 0.344661991233} Si3 10 1 7 {} {0.385541169026 0.478591414914 0.386364765043} N1 11 1 14 {} {0.439649449113 0.475816621672 0.344071403156} Si4 12 1 14 {} {0.365320274749 0.423992960135 0.468671308903} Si5 13 1 7 {} {0.335742035836 0.461097302216 0.554261774112} N2 14 1 7 {} {0.461793391269 0.555358968666 0.349126211141} N3 15 1 1 {} {0.193729276998 0.50091166042 0.368234444429} H1 16 1 1 {} {0.213262731148 0.57992618323 0.333115819811} H2 17 1 1 {} {0.246477025102 0.544529081073 0.139105696038} H3 18 1 1 {} {0.251521228699 0.37483071614 0.327495595151} H4 19 1 1 {} {0.288608068187 0.379053392489 0.235231647969} H5 20 1 1 {} {0.230182019443 0.381659880729 0.216828681606} H6 21 1 1 {} {0.100413545049 0.464101684226 0.16111076834} H7 22 1 1 {} {0.110864551801 0.439855388696 0.273405040298} H8 23 1 1 {} {0.148970127995 0.417515246896 0.187948964161} H9 24 1 1 {} {0.163743441837 0.586365890708 0.0918137449778} H10 25 1 1 {} {0.0947712441606 0.585300898784 0.282973821702} H11 26 1 1 {} {0.367332350058 0.561645103805 0.255416725495} H12 27 1 1 {} {0.349371811691 0.599876774999 0.405975537399} H13 28 1 1 {} {0.463623015012 0.42327463316 0.396132245434} H14 29 1 1 {} {0.441463951368 0.457973732569 0.247440065826} H15 30 1 1 {} {0.334130808004 0.374712594862 0.428035594285} H16 31 1 1 {} {0.404936852215 0.389660427097 0.507990043583} H17 32 1 1 {} {0.304035045813 0.477075533751 0.542005868893} H18 33 1 1 {} {0.351098034149 0.492462160569 0.597850798069} H19 34 1 1 {} {0.48516901101 0.570174445732 0.304426398674} H20 35 1 1 {} {0.466586014818 0.578447585702 0.408945600953} H21 36 1 6 {} {0.655397209265 0.637635714325 0.502552062264} C4 37 1 14 {} {0.615736076825 0.573601984356 0.456176457978} Si6 38 1 14 {} {0.652486071463 0.724286702983 0.457488302902} Si7 39 1 8 {} {0.611829858338 0.582093865734 0.346835847203} O5 40 1 8 {} {0.636057712609 0.498981898833 0.479394402943} O6 41 1 6 {} {0.558969274747 0.579252160085 0.506564537552} C5 42 1 6 {} {0.604919646418 0.774754619216 0.502648835212} C6 43 1 8 {} {0.648180302369 0.713177806062 0.347244282766} O7 44 1 8 {} {0.700015066996 0.766365465229 0.472018442286} O8 45 1 14 {} {0.646337333206 0.420900249635 0.451652021143} Si8 46 1 7 {} {0.601003274194 0.368494170895 0.468774604936} N4 47 1 14 {} {0.580973519857 0.319877487791 0.380047343107} Si9 48 1 14 {} {0.576307869847 0.364412353037 0.575746667007} Si10 49 1 7 {} {0.611174091445 0.384202797995 0.660982955086} N5 50 1 7 {} {0.615160201915 0.256084972057 0.341724056806} N6 51 1 1 {} {0.651533871833 0.639021408236 0.575676487638} H22 52 1 1 {} {0.689593739505 0.619680995892 0.489346230256} H23 53 1 1 {} {0.624947910094 0.623425308094 0.323781599493} H24 54 1 1 {} {0.558682899921 0.570508941169 0.578997560463} H25 55 1 1 {} {0.537497372123 0.54126504533 0.475250161077} H26 56 1 1 {} {0.543993394888 0.628627764268 0.493840776913} H27 57 1 1 {} {0.60424601602 0.825166037639 0.473073688519} H28 58 1 1 {} {0.607120176236 0.780536850216 0.575586932206} H29 59 1 1 {} {0.572759259257 0.750685574087 0.487888376014} H30 60 1 1 {} {0.656576862461 0.750114122079 0.309017405332} H31 61 1 1 {} {0.70046699849 0.800790224071 0.51790229816} H32 62 1 1 {} {0.65757011256 0.415857649804 0.355003638872} H33 63 1 1 {} {0.685400840195 0.400669122732 0.506444510824} H34 64 1 1 {} {0.53921097472 0.288533084648 0.413919471728} H35 65 1 1 {} {0.573121064249 0.36293009837 0.301209850036} H36 66 1 1 {} {0.53835089986 0.412836653941 0.582780250997} H37 67 1 1 {} {0.559527487382 0.294675973152 0.587500213617} H38 68 1 1 {} {0.617167823366 0.433230543697 0.67789837614} H39 69 1 1 {} {0.638608432728 0.354880488706 0.676759339505} H40 70 1 1 {} {0.639940086651 0.267254628352 0.297685599916} H41 71 1 1 {} {0.624507875541 0.218112815371 0.382008195798} 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