#MD System 2.0 @Title neb0_image05 @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 {} {0.214483301066 0.527073132065 0.323854518283} C1 1 1 14 {} {0.268445391289 0.489590329865 0.283280280302} Si1 2 1 14 {} {0.167856784494 0.535030346735 0.243612549279} Si2 3 1 8 {} {0.28068086475 0.519688902004 0.183473522776} O1 4 1 8 {} {0.306639646877 0.511649305221 0.354263664528} O2 5 1 6 {} {0.266217302522 0.396221868994 0.276833600203} C2 6 1 6 {} {0.13628332148 0.455385034009 0.225918218247} C3 7 1 8 {} {0.191744848449 0.56232211603 0.149267186629} O3 8 1 8 {} {0.132204886331 0.595295473934 0.273168918256} O4 9 1 14 {} {0.3587337295 0.539686639794 0.358449213378} Si3 10 1 7 {} {0.391758380124 0.474003520032 0.398581510849} N1 11 1 14 {} {0.443837404985 0.472216430654 0.347422087982} Si4 12 1 14 {} {0.373449276096 0.421175211163 0.482948070044} Si5 13 1 7 {} {0.344790397849 0.459414763832 0.569429720644} N2 14 1 7 {} {0.45442288215 0.557850470161 0.334759952719} N3 15 1 1 {} {0.203054781533 0.498853128632 0.382583473328} H1 16 1 1 {} {0.22280588185 0.577852758371 0.347505065576} H2 17 1 1 {} {0.255969033973 0.542815325001 0.153507393014} H3 18 1 1 {} {0.260799599223 0.372658485416 0.342289868407} H4 19 1 1 {} {0.297887615314 0.376752141213 0.24999821891} H5 20 1 1 {} {0.239486914019 0.379785983506 0.231750525897} H6 21 1 1 {} {0.109876692341 0.46223932358 0.176103763515} H7 22 1 1 {} {0.120649860474 0.438459180595 0.288254358396} H8 23 1 1 {} {0.158190204238 0.414965907841 0.202597685979} H9 24 1 1 {} {0.172856086789 0.584988884587 0.10677690709} H10 25 1 1 {} {0.103968054692 0.581943404972 0.298505493307} H11 26 1 1 {} {0.374751471134 0.559258444015 0.269638963951} H12 27 1 1 {} {0.35878996561 0.597718347387 0.42135732676} H13 28 1 1 {} {0.473151618571 0.430876851358 0.404672807729} H14 29 1 1 {} {0.446990034079 0.443471285291 0.253591824967} H15 30 1 1 {} {0.34217993627 0.371343901667 0.445272284754} H16 31 1 1 {} {0.413578260338 0.387834333284 0.52242227385} H17 32 1 1 {} {0.313077847037 0.476275170271 0.557988494207} H18 33 1 1 {} {0.36035653442 0.490804144206 0.612878205141} H19 34 1 1 {} {0.487981244697 0.564308612715 0.31263676777} H20 35 1 1 {} {0.450672131367 0.582671254415 0.392607799493} H21 36 1 6 {} {0.652142448088 0.64084770907 0.487564729149} C4 37 1 14 {} {0.611999498972 0.577901774862 0.447095980314} Si6 38 1 14 {} {0.64500744378 0.727116741712 0.442116476725} Si7 39 1 8 {} {0.599401807844 0.586042028097 0.340413894175} O5 40 1 8 {} {0.63008977658 0.500624761726 0.465265674847} O6 41 1 6 {} {0.559907302518 0.581632629998 0.512368941001} C5 42 1 6 {} {0.596434537767 0.776022953173 0.487186968352} C6 43 1 8 {} {0.639620420676 0.715201705057 0.331855010264} O7 44 1 8 {} {0.691821674867 0.770535981484 0.455763633198} O8 45 1 14 {} {0.637487911308 0.422092744928 0.435825561013} Si8 46 1 7 {} {0.591812360647 0.371802085174 0.455978338633} N4 47 1 14 {} {0.571239903926 0.320934133903 0.363738566159} Si9 48 1 14 {} {0.566535341371 0.365477976884 0.559889103613} Si10 49 1 7 {} {0.603094042552 0.386364699906 0.647707777873} N5 50 1 7 {} {0.60527837634 0.258163007476 0.327341984372} N6 51 1 1 {} {0.645656870153 0.641980803981 0.560322745646} H22 52 1 1 {} {0.687108792023 0.626195598429 0.477162468757} H23 53 1 1 {} {0.613739318941 0.623737529551 0.311037756612} H24 54 1 1 {} {0.561115761499 0.581170805278 0.585392331162} H25 55 1 1 {} {0.544789841975 0.534663327648 0.487887548697} H26 56 1 1 {} {0.538712910605 0.625787619011 0.489341406974} H27 57 1 1 {} {0.595248595837 0.826608907033 0.457832046044} H28 58 1 1 {} {0.5982488138 0.782110845018 0.560208849185} H29 59 1 1 {} {0.564113869145 0.752196881358 0.472355910666} H30 60 1 1 {} {0.647248407861 0.751995268931 0.292428322693} H31 61 1 1 {} {0.692023440375 0.803875979131 0.503283580692} H32 62 1 1 {} {0.648151686898 0.417488214115 0.340484505044} H33 63 1 1 {} {0.676612241295 0.401469432164 0.491826955278} H34 64 1 1 {} {0.529993744418 0.289551179275 0.399554088428} H35 65 1 1 {} {0.56358945029 0.364088882037 0.287081219441} H36 66 1 1 {} {0.528884042163 0.41540368464 0.569465653581} H37 67 1 1 {} {0.549824474337 0.297044201317 0.572255370407} H38 68 1 1 {} {0.607647675857 0.433619522849 0.662896219939} H39 69 1 1 {} {0.628560561848 0.356980906887 0.661071591679} H40 70 1 1 {} {0.630755906082 0.26917367935 0.282473907143} H41 71 1 1 {} {0.615156333608 0.218918286463 0.367130568237} 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