# dumb molec. code name IP npart coeff(1:npart) # produced from polyatomic_merge.srt of Irwin, after removal of all Sauval and # Tatum species. BPz 21/08-1996 # log(Q) = sum_0^npart-1 ai log(T)^i # ################################################### # Partition fct for Rb Mo+ Pr Pr+ Nd Nd+ Gd Tb Tb+ Dy Dy+ Ho+ Er Er+ Yb Lu+ # changed to those by Sneden/Lawler (according to MOOG) by VHI 03/07-2007 ################################################### # Ionisation potential updated from NIST for Y, Nb, Ho, Hf, Ir, Th (largest changes Th: 6.08->6.307; Hf:7.018->6.825) by VHI 03/07-2007 ################################################### # Ionisation pot Os changed following Colarusso 1997 (old=8.74eV) by VHi 18/01-2002 ################################################### # ThII and ThIII partition functions changed by BPz 15/09-2000. # Irwin had: # 277 90.01 ' th+' 6.08 6 -5.54692278D+02 2.40410297D+02 -3.64787941D+01 1.98655925D+00 1.30338683D-02 -3.13351582D-03 # 278 90.02 ' th++' 11.531 6 7.10076650D+03 -4.15762991D+03 9.69365844D+02 -1.12510812D+02 6.50161887D+00 -1.49626283D-01 # I fit a polynomial through Morell et al. 3 values: # 277 90.01 ' th+' 6.08 6 -12.32966d0 1.869584d0 0.0 0.0 0.0 0.0 # 278 90.02 ' th++' 11.531 6 -7.775563d0 1.739154d0 -4.3311156D-02 0.0 0.0 0.0 # changed to a fit of Holweger partition function between 1000 and 16000K. BPz 20/09-2000 # Holweger's partition function is now hardcoded in partf.f # ################################################### # Note that partf.f replaces UII and UIII partition functions by direct summation of the energy # levels (hardcoded in partf.f BPz 20/09-2000 ################################################### 1 1.00 ' h ' 0.000 6 -2.61655891D+02 1.63428326D+02 -4.06133526D+01 5.03282928D+00 -3.10998364D-01 7.66654594D-03 2 1.01 ' h +' 13.598 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 3 2.00 ' he' 0.000 6 -3.76575219D-01 2.33951687D-01 -5.79755525D-02 7.16333160D-03 -4.41302573D-04 1.08442997D-05 4 2.01 ' he+' 24.587 6 6.93147179D-01 9.29636701D-10 -2.30049742D-10 2.83829746D-11 -1.74590774D-12 4.28355287D-14 5 2.02 ' he++' 54.418 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 6 3.00 ' li' 0.000 6 -2.14567715D+03 1.41384065D+03 -3.72240759D+02 4.89662811D+01 -3.21834992D+00 8.45544920D-02 7 3.01 ' li+' 5.392 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 8 3.02 ' li++' 75.640 6 6.93147181D-01 1.90272154D-16 1.01912004D-17 -8.43216928D-18 9.57818862D-19 -3.39894334D-20 9 4.00 ' be' 0.000 6 -1.08795753D+03 7.16011721D+02 -1.88336711D+02 2.47499673D+01 -1.62497919D+00 4.26435929D-02 10 4.01 ' be+' 9.323 6 -2.97173171D+02 1.91233830D+02 -4.90340118D+01 6.27676976D+00 -4.01133667D-01 1.02389541D-02 11 4.02 ' be++' 18.211 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 12 5.00 ' b ' 0.000 6 -5.63180409D+02 3.61549034D+02 -9.24156763D+01 1.17934683D+01 -7.51341227D-01 1.91167562D-02 13 5.01 ' b +' 8.298 6 -6.68973141D+02 4.26839144D+02 -1.08742100D+02 1.38268411D+01 -8.77496622D-01 2.22362816D-02 14 5.02 ' b ++' 25.155 6 -1.71919268D+02 1.08597516D+02 -2.72678486D+01 3.41569029D+00 -2.13456035D-01 5.32400726D-03 15 6.00 ' c ' 0.000 6 9.21720021D+00 -6.57474804D+00 2.04630537D+00 -2.86334470D-01 1.83809654D-02 -4.29672351D-04 16 6.01 ' c +' 11.260 6 -1.85578951D+02 1.16815901D+02 -2.91473937D+01 3.63531100D+00 -2.26513357D-01 5.63890268D-03 17 6.02 ' c ++' 24.383 6 -3.91254213D+02 2.45609224D+02 -6.15277245D+01 7.68864516D+00 -4.79276444D-01 1.19227494D-02 19 7.00 ' n ' 0.000 6 2.88717295D+02 -1.68872285D+02 3.91254756D+01 -4.45059341D+00 2.47223728D-01 -5.31945494D-03 20 7.01 ' n +' 14.534 6 1.28777940D+02 -7.95497944D+01 1.96686627D+01 -2.39615935D+00 1.43891814D-01 -3.40476068D-03 21 7.02 ' n ++' 29.601 6 -8.61956970D+01 5.22049927D+01 -1.25274613D+01 1.51416152D+00 -9.19393680D-02 2.23943277D-03 24 8.00 ' o ' 0.000 6 -6.26219795D+00 5.12651680D+00 -1.44691306D+00 2.23196759D-01 -1.78196943D-02 5.71458469D-04 25 8.01 ' o +' 13.618 6 -1.11049302D+02 7.83028959D+01 -2.16736253D+01 2.98204280D+00 -2.04044209D-01 5.55676601D-03 26 8.02 ' o ++' 35.117 6 -1.46432100D+01 6.83107919D+00 -1.24907508D+00 1.41406855D-01 -9.94709007D-03 3.16570356D-04 30 9.00 ' f ' 0.000 6 -5.07315371D+01 3.11367765D+01 -7.50713553D+00 9.14197587D-01 -5.59801362D-02 1.37482919D-03 31 9.01 ' f +' 17.423 6 4.70347846D+01 -2.80260758D+01 6.70365937D+00 -7.72451873D-01 4.28627164D-02 -9.09734601D-04 32 9.02 ' f ++' 34.971 6 -2.88303561D+02 1.84858830D+02 -4.71021878D+01 5.99033622D+00 -3.80257197D-01 9.63869625D-03 33 10.00 ' ne' 0.000 6 -9.89746326D+00 6.15156332D+00 -1.52510257D+00 1.88526264D-01 -1.16199387D-02 2.85685024D-04 34 10.01 ' ne+' 21.565 6 4.24370369D+01 -2.54522643D+01 6.16021294D+00 -7.30334327D-01 4.27298061D-02 -9.91258327D-04 35 10.02 ' ne++' 40.963 6 1.61133431D+01 -7.89461982D+00 1.43805082D+00 -8.81795471D-02 -1.09787263D-03 2.04771258D-04 39 11.00 ' na' 0.000 6 -2.60507178D+03 1.71419244D+03 -4.50632658D+02 5.91751503D+01 -3.88164070D+00 1.01752936D-01 40 11.01 ' na+' 5.139 6 -3.68868193D-06 2.28941495D-06 -5.66767833D-07 6.99552282D-08 -4.30495956D-09 1.05668164D-10 41 11.02 ' na++' 47.286 6 8.07571327D+01 -4.59044171D+01 1.04582805D+01 -1.17649896D+00 6.56479680D-02 -1.45759319D-03 42 12.00 ' mg' 0.000 6 -2.36123647D+03 1.53666552D+03 -3.99573894D+02 5.18934127D+01 -3.36616446D+00 8.72505398D-02 43 12.01 ' mg+' 7.646 6 -4.34874146D+02 2.76201198D+02 -6.99216802D+01 8.83345154D+00 -5.56915833D-01 1.40181117D-02 44 12.02 ' mg++' 15.035 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 45 13.00 ' al' 0.000 6 -1.66857655D+03 1.07393756D+03 -2.75925311D+02 3.54060738D+01 -2.26875413D+00 5.80737502D-02 46 13.01 ' al+' 5.986 6 -8.68206246D+02 5.51082021D+02 -1.39651672D+02 1.76615665D+01 -1.11474105D+00 2.80918810D-02 47 13.02 ' al++' 18.829 6 -1.24175698D+02 7.83456457D+01 -1.96158655D+01 2.44987569D+00 -1.52626168D-01 3.79453900D-03 48 14.00 ' si' 0.000 6 -7.23428869D+02 4.52601901D+02 -1.12918109D+02 1.40785236D+01 -8.77132603D-01 2.18523847D-02 49 14.01 ' si+' 8.152 6 -3.67925366D+02 2.27801749D+02 -5.63139256D+01 6.96970720D+00 -4.31392293D-01 1.06749184D-02 50 14.02 ' si++' 16.346 6 -3.91665625D+02 2.45914248D+02 -6.16164424D+01 7.70134645D+00 -4.80173854D-01 1.19478316D-02 51 15.00 ' p ' 0.000 6 9.74630906D+02 -6.18827850D+02 1.56647965D+02 -1.97214442D+01 1.23393462D+00 -3.06671090D-02 52 15.01 ' p +' 10.487 6 -3.07658779D+01 7.20111961D+00 9.78932189D-01 -4.14188534D-01 4.11179949D-02 -1.33638301D-03 53 15.02 ' p ++' 19.769 6 -6.99984767D+01 4.00709052D+01 -9.31663009D+00 1.11525128D+00 -6.80782270D-02 1.68288627D-03 54 16.00 ' s ' 0.000 6 -6.30703449D+01 3.53098667D+01 -7.71409969D+00 8.50300702D-01 -4.74936003D-02 1.08607937D-03 55 16.01 ' s +' 10.360 6 9.77516783D+02 -6.06713375D+02 1.50090513D+02 -1.84627161D+01 1.12856222D+00 -2.74016045D-02 56 16.02 ' s ++' 23.334 6 2.23914684D+02 -1.47570136D+02 3.81918598D+01 -4.84977487D+00 3.03609041D-01 -7.51308575D-03 57 17.00 ' cl' 0.000 6 -1.41743041D+02 9.11490579D+01 -2.32901725D+01 2.97839070D+00 -1.90121006D-01 4.83977315D-03 58 17.01 ' cl+' 12.968 6 2.37940076D+02 -1.49281053D+02 3.73551058D+01 -4.63170211D+00 2.84929200D-01 -6.95817201D-03 59 17.02 ' cl++' 23.814 6 7.05206738D+02 -4.30210322D+02 1.04538026D+02 -1.26136527D+01 7.55075317D-01 -1.79189988D-02 60 18.00 ' ar' 0.000 6 -1.50860761D+02 9.44834641D+01 -2.36105115D+01 2.94261084D+00 -1.82910244D-01 4.53641770D-03 61 18.01 ' ar+' 15.760 6 8.00614439D+01 -4.51603962D+01 1.02073231D+01 -1.13868546D+00 6.29814970D-02 -1.38557483D-03 62 18.02 ' ar++' 27.630 6 3.08147365D+02 -1.87717510D+02 4.56112646D+01 -5.50134735D+00 3.29750197D-01 -7.85881328D-03 63 19.00 ' k ' 0.000 6 -1.05889824D+03 7.37734975D+02 -2.05032627D+02 2.84353380D+01 -1.96809457D+00 5.43892001D-02 64 19.01 ' k +' 4.341 6 -1.67241589D-01 1.03911655D-01 -2.57531592D-02 3.18236700D-03 -1.96075509D-04 4.81883692D-06 65 19.02 ' k ++' 31.628 6 2.47411101D+01 -9.05832666D+00 9.61945436D-01 2.49306802D-02 -9.17510208D-03 3.82217668D-04 66 20.00 ' ca' 0.000 6 -5.21521085D+02 4.10712446D+02 -1.26375869D+02 1.90976557D+01 -1.42269952D+00 4.19085267D-02 67 20.01 ' ca+' 6.113 6 1.65874025D+03 -1.04392185D+03 2.61702809D+02 -3.26369424D+01 2.02350114D+00 -4.98594460D-02 68 20.02 ' ca++' 11.872 6 -1.24819814D-03 7.75158073D-04 -1.92014703D-04 2.37150053D-05 -1.46034751D-06 3.58695382D-08 69 21.00 ' sc' 0.000 6 1.81644604D+02 -7.20731826D+01 5.86975892D+00 1.07520225D+00 -2.00124526D-01 8.87302770D-03 70 21.01 ' sc+' 6.561 6 -6.25304979D+02 3.90511641D+02 -9.66522233D+01 1.18955806D+01 -7.28148753D-01 1.77552524D-02 71 21.02 ' sc++' 12.800 6 -4.01041660D+01 2.44262397D+01 -5.78612200D+00 7.00052494D-01 -4.30315116D-02 1.07061834D-03 72 22.00 ' ti' 0.000 6 -5.42849573D+02 3.46635141D+02 -8.90099156D+01 1.15603978D+01 -7.60309452D-01 2.02863075D-02 73 22.01 ' ti+' 6.828 6 7.41156498D+00 -1.62989642D+01 6.88299761D+00 -1.14483565D+00 8.56663842D-02 -2.39509300D-03 74 22.02 ' ti++' 13.576 6 1.90433458D+02 -1.27981973D+02 3.41092889D+01 -4.46260237D+00 2.87468135D-01 -7.30136017D-03 75 23.00 ' v ' 0.000 6 -1.24333362D+03 8.15378796D+02 -2.13919280D+02 2.81081913D+01 -1.84869324D+00 4.86918802D-02 76 23.01 ' v +' 6.746 6 7.69236318D+02 -4.73580087D+02 1.16641639D+02 -1.43096844D+01 8.74037953D-01 -2.12299589D-02 77 23.02 ' v ++' 14.655 6 7.28260908D+02 -4.65567785D+02 1.18419589D+02 -1.49305828D+01 9.33532870D-01 -2.31532069D-02 78 24.00 ' cr' 0.000 6 -8.80838409D+02 5.72933536D+02 -1.49289839D+02 1.95455757D+01 -1.28737652D+00 3.41709398D-02 79 24.01 ' cr+' 6.766 6 3.32026608D+03 -2.07680692D+03 5.17436644D+02 -6.41213593D+01 3.94957079D+00 -9.66571288D-02 80 24.02 ' cr++' 16.497 6 8.99434106D+02 -5.56554851D+02 1.36799645D+02 -1.66493892D+01 1.00343273D+00 -2.39467456D-02 81 25.00 ' mn' 0.000 6 -1.54913173D+03 1.04762114D+03 -2.82777415D+02 3.81262914D+01 -2.56771825D+00 6.91046934D-02 82 25.01 ' mn+' 7.437 6 1.36807626D+03 -8.39953845D+02 2.05165234D+02 -2.48590226D+01 1.49207266D+00 -3.54240524D-02 83 25.02 ' mn++' 15.640 6 1.64215547D+02 -7.60372859D+01 1.21385978D+01 -5.98003176D-01 -2.36904392D-02 2.20397061D-03 84 26.00 ' fe' 0.000 6 -1.15609527D+03 7.46597652D+02 -1.92865672D+02 2.49658410D+01 -1.61934455D+00 4.21182087D-02 85 26.01 ' fe+' 7.902 6 2.71692895D+02 -1.52697440D+02 3.36119665D+01 -3.56415427D+00 1.80193259D-01 -3.38654879D-03 86 26.02 ' fe++' 16.188 6 5.42788652D+02 -3.26170152D+02 7.77054463D+01 -9.12244699D+00 5.27184053D-01 -1.19689432D-02 87 27.00 ' co' 0.000 6 -1.27572458D+03 8.34945002D+02 -2.17863543D+02 2.83665679D+01 -1.84229266D+00 4.77591938D-02 88 27.01 ' co+' 7.881 6 -4.17417685D+02 2.76839269D+02 -7.24430563D+01 9.38616516D+00 -6.01647637D-01 1.52809452D-02 89 27.02 ' co++' 17.084 6 1.94602744D+02 -1.15107876D+02 2.69761183D+01 -3.09225061D+00 1.73365887D-01 -3.78711620D-03 90 28.00 ' ni' 0.000 6 -1.02017263D+03 6.68758438D+02 -1.74841425D+02 2.28263930D+01 -1.48693754D+00 3.86538338D-02 91 28.01 ' ni+' 7.640 6 -2.01279351D+02 1.01910058D+02 -1.92092108D+01 1.62959379D+00 -5.55991468D-02 3.32146945D-04 92 28.02 ' ni++' 18.169 6 1.13021988D+02 -6.17971942D+01 1.33706056D+01 -1.40047265D+00 7.08696964D-02 -1.37157842D-03 93 29.00 ' cu' 0.000 6 8.31841948D+02 -5.28713346D+02 1.33638828D+02 -1.67595185D+01 1.04137409D+00 -2.56014002D-02 94 29.01 ' cu+' 7.726 6 2.74142626D+03 -1.68010377D+03 4.09637716D+02 -4.96430478D+01 2.98843963D+00 -7.14361200D-02 95 29.02 ' cu++' 20.292 6 -1.51329149D+02 1.01980858D+02 -2.68100884D+01 3.47623044D+00 -2.22333466D-01 5.61929630D-03 96 30.00 ' zn' 0.000 6 -1.20140529D+03 7.70434011D+02 -1.97293540D+02 2.52193702D+01 -1.60917496D+00 4.10029313D-02 97 30.01 ' zn+' 9.394 6 -3.81015122D+02 2.38979357D+02 -5.97019783D+01 7.43924261D+00 -4.62365038D-01 1.14671249D-02 98 30.02 ' zn++' 18.461 6 -1.02446416D+02 6.39284708D+01 -1.59154243D+01 1.97595716D+00 -1.22341471D-01 3.02204306D-03 99 31.00 ' ga' 0.000 6 -1.25561639D+03 8.10115185D+02 -2.09131868D+02 2.70017483D+01 -1.74224040D+00 4.49219688D-02 100 31.01 ' ga+' 5.999 6 -5.89962696D+02 3.70739832D+02 -9.29778145D+01 1.16323703D+01 -7.26008322D-01 1.80841215D-02 101 31.02 ' ga++' 20.514 6 -4.85868507D+01 3.08233653D+01 -7.69238347D+00 9.57466604D-01 -5.94389176D-02 1.47230491D-03 102 32.00 ' ge' 0.000 6 -4.31175772D+02 2.99100425D+02 -8.15648996D+01 1.09668238D+01 -7.27557750D-01 1.90846272D-02 103 32.01 ' ge+' 7.900 6 -2.43877203D+03 1.45488362D+03 -3.45689560D+02 4.09145918D+01 -2.41225287D+00 5.66871306D-02 104 32.02 ' ge++' 15.935 6 -9.88822132D+02 5.84437311D+02 -1.37658773D+02 1.61558999D+01 -9.45015962D-01 2.20467796D-02 105 33.00 ' as' 0.000 6 -2.98377199D+03 1.74240849D+03 -4.05840442D+02 4.71667785D+01 -2.73656947D+00 6.34551329D-02 106 33.01 ' as+' 9.815 6 -3.03864066D+03 1.78437108D+03 -4.17213097D+02 4.85716467D+01 -2.81560169D+00 6.50308018D-02 107 33.02 ' as++' 18.634 6 4.34366407D+02 -2.62508829D+02 6.34138231D+01 -7.65020535D+00 4.61016936D-01 -1.10827922D-02 108 34.00 ' se' 0.000 6 -1.27936376D+03 7.76484231D+02 -1.87766372D+02 2.26376185D+01 -1.36061199D+00 3.26236345D-02 109 34.01 ' se+' 9.752 6 1.99417140D+03 -1.17665608D+03 2.76905561D+02 -3.24747594D+01 1.89797112D+00 -4.42088434D-02 110 34.02 ' se++' 21.189 6 1.60478222D+04 -9.45698646D+03 2.22110803D+03 -2.59898201D+02 1.51536281D+01 -3.52249604D-01 111 35.00 ' br' 0.000 6 -9.72046127D+03 5.82777987D+03 -1.39409794D+03 1.66365268D+02 -9.90479053D+00 2.35381496D-01 112 35.01 ' br+' 11.814 6 -4.97900479D+02 2.81076996D+02 -6.26471147D+01 6.90761325D+00 -3.76484512D-01 8.11431780D-03 113 35.02 ' br++' 21.805 6 6.71633101D+00 -5.19292729D+00 1.70436366D+00 -2.65714593D-01 1.97704196D-02 -5.50570330D-04 114 36.00 ' kr' 0.000 6 -2.45290033D+02 1.54288869D+02 -3.87278378D+01 4.84901874D+00 -3.02849132D-01 7.54800999D-03 115 36.01 ' kr+' 14.000 6 -2.02724630D+02 1.22298521D+02 -2.90311093D+01 3.41099468D+00 -1.98353302D-01 4.57079079D-03 116 36.02 ' kr++' 24.360 6 -1.98169641D+02 1.20316704D+02 -2.86428047D+01 3.36763596D+00 -1.95638015D-01 4.50341106D-03 117 37.00 ' rb' 0.000 6 5.03676283D+03 -3.16069504D+03 7.89175381D+02 -9.79501783D+01 6.04047992D+00 -1.47981323D-01 118 37.01 ' rb+' 4.177 6 -3.08135076D+01 1.86519543D+01 -4.50100128D+00 5.41312218D-01 -3.24481418D-02 7.75672414D-04 119 37.02 ' rb++' 27.282 6 8.59416526D-01 5.74021978D-01 -2.08907062D-01 3.63826309D-02 -3.10670043D-03 1.06386007D-04 120 38.00 ' sr' 0.000 6 6.50892101D+02 -3.40217425D+02 6.53893239D+01 -5.30225554D+00 1.23699526D-01 2.86921883D-03 121 38.01 ' sr+' 5.695 6 1.14831179D+03 -7.13785765D+02 1.76505337D+02 -2.16727738D+01 1.32000916D+00 -3.18594119D-02 122 38.02 ' sr++' 11.030 6 -4.58857904D-03 2.84991760D-03 -7.06034255D-04 8.72098861D-05 -5.37095954D-06 1.31940040D-07 123 39.00 ' y ' 0.000 6 3.40651384D+03 -2.16510652D+03 5.48071557D+02 -6.90145742D+01 4.32146653D+00 -1.07584489D-01 124 39.01 ' y +' 6.217 6 2.40007747D+02 -1.65865174D+02 4.42075274D+01 -5.72622786D+00 3.63645809D-01 -9.08338755D-03 125 39.02 ' y ++' 12.236 6 -3.04672943D+01 1.53131096D+01 -2.98576512D+00 3.01521890D-01 -1.56834902D-02 3.36484529D-04 126 40.00 ' zr' 0.000 6 -5.86736112D+02 3.73836394D+02 -9.52007830D+01 1.21461902D+01 -7.76348813D-01 1.99265197D-02 127 40.01 ' zr+' 6.634 6 -1.70866201D+02 1.23495311D+02 -3.46160939D+01 4.75330281D+00 -3.19539990D-01 8.44862669D-03 128 40.02 ' zr++' 13.130 6 4.15253105D+02 -2.60809264D+02 6.51595008D+01 -8.07244914D+00 4.96869095D-01 -1.21570953D-02 129 41.00 ' nb' 0.000 6 -5.87332235D+01 2.38289225D+01 -3.58296946D+00 2.99625062D-01 -1.84493499D-02 7.05622438D-04 130 41.01 ' nb+' 6.759 6 -5.69845510D+02 3.31856602D+02 -7.68597025D+01 8.86460033D+00 -5.08151265D-01 1.15962503D-02 131 41.02 ' nb++' 14.320 6 1.67962909D+02 -9.92678760D+01 2.28805528D+01 -2.54618232D+00 1.37142991D-01 -2.85112969D-03 132 42.00 ' mo' 0.000 6 1.25471665D+04 -7.74101582D+03 1.90554068D+03 -2.33854194D+02 1.43038620D+01 -3.48722313D-01 133 42.01 ' mo+' 7.092 6 4.16034835D+03 -2.65480884D+03 6.74631372D+02 -8.52665787D+01 5.35745654D+00 -1.33793443D-01 134 42.02 ' mo++' 16.155 6 -8.32443303D+02 5.00876420D+02 -1.20966318D+02 1.46318940D+01 -8.84044628D-01 2.13343964D-02 135 43.00 ' tc' 0.000 6 1.40581422D+03 -8.46319238D+02 2.03265344D+02 -2.43338864D+01 1.45265276D+00 -3.45711135D-02 136 43.01 ' tc+' 7.278 6 -8.38699733D+02 5.17551299D+02 -1.26767791D+02 1.54323332D+01 -9.33545019D-01 2.24686576D-02 137 43.02 ' tc++' 15.262 6 -1.37225351D+03 8.23983099D+02 -1.96461066D+02 2.33421407D+01 -1.38229048D+00 3.26484704D-02 138 44.00 ' ru' 0.000 6 -1.13823647D+03 6.59580927D+02 -1.51995432D+02 1.74439650D+01 -9.97244021D-01 2.27601637D-02 139 44.01 ' ru+' 7.366 6 1.96054904D+03 -1.16895626D+03 2.77734629D+02 -3.28525247D+01 1.93537332D+00 -4.54084886D-02 140 44.02 ' ru++' 16.763 6 4.82023295D+02 -2.88030564D+02 6.90065895D+01 -8.23527932D+00 4.89496718D-01 -1.15886604D-02 141 45.00 ' rh' 0.000 6 9.65783676D+01 -3.92519389D+01 5.03491107D+00 -6.36079573D-02 -2.90168956D-02 1.51201603D-03 142 45.01 ' rh+' 7.463 6 2.14273814D+03 -1.25639735D+03 2.93735307D+02 -3.41995978D+01 1.98297410D+00 -4.57832269D-02 143 45.02 ' rh++' 18.077 6 -3.52626036D+02 2.10996160D+02 -4.99107277D+01 5.86543709D+00 -3.42384299D-01 7.96144742D-03 144 46.00 ' pd' 0.000 6 -5.05916266D+03 3.06755122D+03 -7.41260220D+02 8.92103693D+01 -5.34709856D+00 1.27741440D-01 145 46.01 ' pd+' 8.336 6 1.63392630D+03 -9.29503960D+02 2.10179266D+02 -2.35736936D+01 1.31028981D+00 -2.88296397D-02 146 46.02 ' pd++' 19.428 6 -6.99185246D+01 4.13687568D+01 -9.38368973D+00 1.05370155D+00 -5.87366632D-02 1.31666314D-03 147 47.00 ' ag' 0.000 6 -7.01832277D+03 4.37878133D+03 -1.09124976D+03 1.35803213D+02 -8.43960217D+00 2.09537154D-01 148 47.01 ' ag+' 7.576 6 -2.99246773D+03 1.83727607D+03 -4.50220055D+02 5.50486301D+01 -3.35892738D+00 8.18356488D-02 149 47.02 ' ag++' 21.486 6 -1.05509425D+02 6.39744059D+01 -1.52011299D+01 1.80295899D+00 -1.06888841D-01 2.54066612D-03 150 48.00 ' cd' 0.000 6 -4.33054347D+03 2.83503762D+03 -7.37087236D+02 9.52219516D+01 -6.11698355D+00 1.56413205D-01 151 48.01 ' cd+' 8.994 6 -4.14527755D+03 2.46654549D+03 -5.85582068D+02 6.93601417D+01 -4.09944347D+00 9.67351943D-02 152 48.02 ' cd++' 16.908 6 1.64171165D+02 -9.95893098D+01 2.40311359D+01 -2.88252062D+00 1.71823585D-01 -4.07067438D-03 153 49.00 ' in' 0.000 6 -5.75905434D+03 3.65454370D+03 -9.26489947D+02 1.17286069D+02 -7.41273508D+00 1.87114558D-01 154 49.01 ' in+' 5.786 6 -2.23206477D+03 1.35235925D+03 -3.27098294D+02 3.94851863D+01 -2.37911329D+00 5.72484232D-02 155 49.02 ' in++' 18.870 6 -5.51696370D+02 3.32204958D+02 -7.96472976D+01 9.51725925D+00 -5.66890714D-01 1.34678831D-02 156 50.00 ' sn' 0.000 6 -5.18384975D+02 3.48256553D+02 -9.30493854D+01 1.23258066D+01 -8.07998988D-01 2.09793025D-02 157 50.01 ' sn+' 7.344 6 -2.47682436D+03 1.48819798D+03 -3.56174659D+02 4.24505714D+01 -2.51946372D+00 5.95823499D-02 158 50.02 ' sn++' 14.632 6 -4.50773283D+03 2.68885948D+03 -6.39233991D+02 7.57193394D+01 -4.46972778D+00 1.05208113D-01 159 51.00 ' sb' 0.000 6 -3.12469999D+03 1.81986730D+03 -4.22619891D+02 4.89466799D+01 -2.82824511D+00 6.52663828D-02 160 51.01 ' sb+' 8.642 6 -2.38032519D+03 1.41766981D+03 -3.36559520D+02 3.97861649D+01 -2.34078284D+00 5.48358874D-02 161 51.02 ' sb++' 16.531 6 -6.28031837D+01 2.71092149D+01 -3.79465321D+00 1.27914313D-01 1.16702738D-02 -7.18695637D-04 162 52.00 ' te' 0.000 6 -2.06820691D+03 1.22436856D+03 -2.88977940D+02 3.40157254D+01 -1.99710839D+00 4.68032070D-02 163 52.01 ' te+' 9.010 6 1.59864199D+03 -9.51839118D+02 2.26142511D+02 -2.67839483D+01 1.58131619D+00 -3.72141082D-02 164 52.02 ' te++' 18.598 6 2.41413724D+03 -1.44849659D+03 3.46595043D+02 -4.13637716D+01 2.46299477D+00 -5.85291096D-02 165 53.00 ' i ' 0.000 6 -8.85284222D+03 5.30951603D+03 -1.27112150D+03 1.51875920D+02 -9.05723614D+00 2.15694185D-01 166 53.01 ' i +' 10.451 6 -1.17440932D+02 6.10170004D+01 -1.20671504D+01 1.13058351D+00 -4.86821632D-02 7.25125701D-04 167 53.02 ' i ++' 19.131 6 4.97975564D+02 -2.97840680D+02 7.11852095D+01 -8.48413753D+00 5.04146185D-01 -1.19321078D-02 168 54.00 ' xe' 0.000 6 -2.73114871D+04 1.63741761D+04 -3.91802953D+03 4.67766941D+02 -2.78669490D+01 6.62792682D-01 169 54.01 ' xe+' 12.130 6 -4.95556769D+02 2.93065973D+02 -6.88490908D+01 8.05718965D+00 -4.69973112D-01 1.09401057D-02 170 54.02 ' xe++' 21.210 6 1.05976132D+03 -6.31381556D+02 1.50107206D+02 -1.77778683D+01 1.04881400D+00 -2.46476747D-02 171 55.00 ' cs' 0.000 6 9.44778302D+03 -5.91963373D+03 1.47824007D+03 -1.83830108D+02 1.13799539D+01 -2.80415440D-01 172 55.01 ' cs+' 3.894 6 -1.49523591D+01 1.01575505D+01 -2.71886561D+00 3.59221227D-01 -2.34666744D-02 6.07208443D-04 173 55.02 ' cs++' 25.077 6 3.15175743D+01 -1.77251015D+01 4.12674160D+00 -4.75124208D-01 2.69360132D-02 -5.95960076D-04 174 56.00 ' ba' 0.000 6 1.25802282D+03 -8.67056417D+02 2.36061200D+02 -3.17162068D+01 2.10056494D+00 -5.47642624D-02 175 56.01 ' ba+' 5.212 6 -2.60418359D+03 1.62985198D+03 -4.05670422D+02 5.02030146D+01 -3.08936584D+00 7.56650837D-02 176 56.02 ' ba++' 10.004 6 -1.59729467D-01 9.92646093D-02 -2.46067151D-02 3.04137466D-03 -1.87431750D-04 4.60750505D-06 177 57.00 ' la' 0.000 6 1.38006252D+03 -8.88959516D+02 2.27602564D+02 -2.89584138D+01 1.83220626D+00 -4.60907811D-02 178 57.01 ' la+' 5.577 6 1.61733573D+03 -9.48380134D+02 2.21895504D+02 -2.58709383D+01 1.50359931D+00 -3.48334601D-02 179 57.02 ' la++' 11.059 6 -2.08006100D+03 1.21732617D+03 -2.83379267D+02 3.28215398D+01 -1.89126734D+00 4.33882551D-02 180 58.00 ' ce' 0.000 6 -5.55282226D+03 3.38703631D+03 -8.23882571D+02 9.98914196D+01 -6.03404840D+00 1.45276125D-01 181 58.01 ' ce+' 5.539 6 -7.81447000D+03 4.39852978D+03 -9.90459719D+02 1.11523568D+02 -6.27588805D+00 1.41174743D-01 182 58.02 ' ce++' 10.849 6 -3.22176972D+03 1.89138684D+03 -4.41914786D+02 5.14089761D+01 -2.97776843D+00 6.87226072D-02 183 59.00 ' pr' 0.000 6 -3.04466224D+03 1.88966140D+03 -4.64804826D+02 5.66502603D+01 -3.42059183D+00 8.19184298D-02 184 59.01 ' pr+' 5.464 6 -1.73962063D+03 1.07851006D+03 -2.64849957D+02 3.22161314D+01 -1.93975232D+00 4.62805386D-02 185 59.02 ' pr++' 10.551 6 4.98921791D+04 -2.87970911D+04 6.62402467D+03 -7.59317935D+02 4.33911910D+01 -9.89126463D-01 186 60.00 ' nd' 0.000 6 -1.64889203D+03 9.47177848D+02 -2.12837179D+02 2.33051095D+01 -1.23575686D+00 2.52043511D-02 187 60.01 ' nd+' 5.525 6 -2.06698421D+02 9.79972763D+01 -1.55582617D+01 7.28892861D-01 3.56166693D-02 -2.95215536D-03 188 60.02 ' nd++' 10.725 6 -8.98340934D+02 4.95993575D+02 -1.09861091D+02 1.21995868D+01 -6.77229656D-01 1.50250139D-02 189 61.00 ' pm' 0.000 6 3.65456818D+03 -2.18448032D+03 5.20179173D+02 -6.16455681D+01 3.63520104D+00 -8.52743113D-02 190 61.01 ' pm+' 5.554 6 6.04960061D+03 -3.69123349D+03 8.96835014D+02 -1.08444861D+02 6.52640623D+00 -1.56339195D-01 191 61.02 ' pm++' 10.898 6 1.68321638D+04 -9.85033102D+03 2.29443388D+03 -2.66039300D+02 1.53632920D+01 -3.53602023D-01 192 62.00 ' sm' 0.000 6 9.48464532D+03 -5.90925804D+03 1.46860826D+03 -1.81960304D+02 1.12387248D+01 -2.76756092D-01 193 62.01 ' sm+' 5.644 6 -6.59082469D+02 2.80193297D+02 -4.15250947D+01 2.14083933D+00 2.85426771D-02 -4.10269268D-03 194 62.02 ' sm++' 11.072 6 1.82123842D+03 -1.05190050D+03 2.42083558D+02 -2.77131764D+01 1.57793614D+00 -3.57209194D-02 195 63.00 ' eu' 0.000 6 1.12731107D+04 -6.99140090D+03 1.73006013D+03 -2.13422170D+02 1.31204859D+01 -3.21441879D-01 196 63.01 ' eu+' 5.670 6 1.16784647D+03 -7.17324955D+02 1.75410967D+02 -2.12994338D+01 1.28332171D+00 -3.06458312D-02 197 63.02 ' eu++' 11.241 6 -2.02846263D+03 1.24521575D+03 -3.04725159D+02 3.72010364D+01 -2.26584074D+00 5.50893177D-02 198 64.00 ' gd' 0.000 6 1.83011048D+03 -1.19539486D+03 3.10632505D+02 -4.00859062D+01 2.56842403D+00 -6.53128117D-02 199 64.01 ' gd+' 6.150 6 -2.87369723D+01 -1.94133158D+01 1.26876586D+01 -2.37576504D+00 1.88567734D-01 -5.49546486D-03 200 64.02 ' gd++' 12.088 6 -1.94763772D+03 1.13737621D+03 -2.64005027D+02 3.04959919D+01 -1.75313976D+00 4.01393491D-02 201 65.00 ' tb' 0.000 6 5.85584746D+02 -3.89743229D+02 1.03759088D+02 -1.37350828D+01 9.03674535D-01 -2.35845042D-02 202 65.01 ' tb+' 5.864 6 -9.48002791D+02 6.16808235D+02 -1.58524150D+02 2.01610509D+01 -1.26856460D+00 3.16355813D-02 203 65.02 ' tb++' 11.518 6 8.11558123D+02 -4.67434582D+02 1.07583056D+02 -1.23251149D+01 7.02860514D-01 -1.59394115D-02 204 66.00 ' dy' 0.000 6 3.53878819D+03 -2.31997287D+03 6.06023177D+02 -7.87382964D+01 5.08456496D+00 -1.30426644D-01 205 66.01 ' dy+' 5.939 6 2.77061687D+03 -1.78523018D+03 4.58361896D+02 -5.85341812D+01 3.71600397D+00 -9.37402524D-02 206 66.02 ' dy++' 11.667 6 1.30822682D+03 -7.46679156D+02 1.69716518D+02 -1.91592590D+01 1.07376244D+00 -2.38653520D-02 207 67.00 ' ho' 0.000 6 -6.28963420D+03 3.81917364D+03 -9.24246552D+02 1.11440030D+02 -6.69331406D+00 1.60223884D-01 208 67.01 ' ho+' 6.022 6 1.34187596D+03 -8.52533583D+02 2.15784324D+02 -2.71271661D+01 1.69281185D+00 -4.19020326D-02 209 67.02 ' ho++' 11.803 6 6.98122851D+03 -4.11418184D+03 9.66307217D+02 -1.13063284D+02 6.59141456D+00 -1.53163679D-01 210 68.00 ' er' 0.000 6 2.02411710D+03 -1.35836078D+03 3.62878018D+02 -4.81385931D+01 3.16795944D+00 -8.26308027D-02 211 68.01 ' er+' 6.108 6 1.62058945D+03 -1.06472504D+03 2.78625547D+02 -3.62193240D+01 2.33715989D+00 -5.98219225D-02 212 68.02 ' er++' 11.927 6 2.65562213D+03 -1.49666461D+03 3.34740125D+02 -3.70678109D+01 2.02963822D+00 -4.38640816D-02 213 69.00 ' tm' 0.000 6 1.39943218D+04 -8.66622104D+03 2.14147271D+03 -2.63838165D+02 1.62023118D+01 -3.96613548D-01 214 69.01 ' tm+' 6.184 6 5.25234498D+03 -3.28187713D+03 8.15935429D+02 -1.00840805D+02 6.19444705D+00 -1.51257435D-01 215 69.02 ' tm++' 12.051 6 1.98125519D+04 -1.15375165D+04 2.67546870D+03 -3.08902709D+02 1.77611962D+01 -4.06891034D-01 216 70.00 ' yb' 0.000 6 7.47839800D+03 -4.67427018D+03 1.16206341D+03 -1.43581759D+02 8.81293038D+00 -2.14850223D-01 217 70.01 ' yb+' 6.254 6 2.02501196D+04 -1.20810049D+04 2.87249350D+03 -3.40216305D+02 2.00694419D+01 -4.71639888D-01 218 70.02 ' yb++' 12.184 6 2.20972517D+04 -1.29759231D+04 3.03586521D+03 -3.53736304D+02 2.05261891D+01 -4.74477383D-01 219 71.00 ' lu' 0.000 6 3.54955843D+03 -2.10593597D+03 4.97966667D+02 -5.86264416D+01 3.43547361D+00 -8.01086936D-02 220 71.01 ' lu+' 5.426 6 2.44026764D+03 -1.59016793D+03 4.12298445D+02 -5.31395892D+01 3.40232351D+00 -8.65004469D-02 221 71.02 ' lu++' 13.886 6 -4.32820064D+03 2.63014122D+03 -6.37639995D+02 7.70883404D+01 -4.64747171D+00 1.11804759D-01 222 72.00 ' hf' 0.000 6 2.42928177D+03 -1.46914885D+03 3.54654064D+02 -4.26884146D+01 2.56114581D+00 -6.12103205D-02 223 72.01 ' hf+' 6.825 6 9.66291172D+01 -1.07774271D+02 3.55896811D+01 -5.20454919D+00 3.56781290D-01 -9.36573028D-03 224 72.02 ' hf++' 14.878 6 -1.84783167D+03 1.07442582D+03 -2.48286076D+02 2.85217408D+01 -1.62821430D+00 3.69633702D-02 225 73.00 ' ta' 0.000 6 -3.36678129D+02 1.31100882D+02 -1.44938434D+01 -2.64996951D-01 1.33054599D-01 -5.84825539D-03 226 73.01 ' ta+' 7.885 6 3.04961238D+03 -1.87619384D+03 4.56579943D+02 -5.50507480D+01 3.29474694D+00 -7.83741184D-02 227 73.02 ' ta++' 14.878 6 5.12834399D+03 -2.95707451D+03 6.78301845D+02 -7.74262636D+01 4.40108568D+00 -9.96859593D-02 228 74.00 ' w ' 0.000 6 2.04266501D+03 -1.28061781D+03 3.17708016D+02 -3.90490363D+01 2.38059556D+00 -5.75868918D-02 229 74.01 ' w +' 7.985 6 1.33117880D+04 -7.78861299D+03 1.81523243D+03 -2.10756299D+02 1.21955751D+01 -2.81435906D-01 230 74.02 ' w ++' 16.118 6 1.02252650D+04 -5.85418868D+03 1.33398954D+03 -1.51328950D+02 8.55153740D+00 -1.92642598D-01 231 75.00 ' re' 0.000 6 1.08988801D+03 -8.48377770D+02 2.49173776D+02 -3.51195570D+01 2.39942238D+00 -6.39340677D-02 232 75.01 ' re+' 7.877 6 1.03096552D+04 -6.19727207D+03 1.48443013D+03 -1.77091508D+02 1.05222499D+01 -2.49069408D-01 233 75.02 ' re++' 14.878 6 4.79144822D+03 -2.57029134D+03 5.44969853D+02 -5.70801729D+01 2.95193209D+00 -6.02000989D-02 234 76.00 ' os' 0.000 6 -4.66348695D+02 2.40124797D+02 -4.77885296D+01 4.56354983D+00 -2.05654128D-01 3.42399283D-03 235 76.01 ' os+' 8.440 6 1.45288057D+03 -8.70843194D+02 2.08235756D+02 -2.48196634D+01 1.47535190D+00 -3.49765722D-02 236 76.02 ' os++' 17.358 6 -3.13086355D+03 1.97638153D+03 -4.96399961D+02 6.20305075D+01 -3.85705885D+00 9.55107973D-02 237 77.00 ' ir' 0.000 6 -1.42743828D+03 8.52884609D+02 -2.03299244D+02 2.42008984D+01 -1.43918689D+00 3.42476998D-02 238 77.01 ' ir+' 8.967 6 2.95654643D+03 -1.72205213D+03 3.99611588D+02 -4.61604410D+01 2.65417617D+00 -6.07469063D-02 239 77.02 ' ir++' 18.598 6 -1.02678427D+03 6.23265048D+02 -1.50572814D+02 1.81121160D+01 -1.08442933D+00 2.58747240D-02 240 78.00 ' pt' 0.000 6 -3.18472110D+02 2.22978449D+02 -6.09664253D+01 8.22356174D+00 -5.48478333D-01 1.45085885D-02 241 78.01 ' pt+' 8.964 6 2.85370428D+03 -1.67854229D+03 3.93335981D+02 -4.59033842D+01 2.66882296D+00 -6.18285214D-02 242 78.02 ' pt++' 18.563 6 -4.08216628D+03 2.45122154D+03 -5.86394142D+02 6.98910512D+01 -4.15089127D+00 9.83071550D-02 243 79.00 ' au' 0.000 6 -3.84113882D+03 2.27183165D+03 -5.36323560D+02 6.31968656D+01 -3.71824593D+00 8.74349990D-02 244 79.01 ' au+' 9.226 6 2.35873728D+03 -1.36096314D+03 3.14241770D+02 -3.62943443D+01 2.09562033D+00 -4.83300120D-02 245 79.02 ' au++' 20.457 6 -6.82741036D+03 4.08365711D+03 -9.73270839D+02 1.15576173D+02 -6.83953699D+00 1.61399439D-01 246 80.00 ' hg' 0.000 6 -1.20415788D+04 7.27607734D+03 -1.75552471D+03 2.11423831D+02 -1.27106500D+01 3.05187054D-01 247 80.01 ' hg+' 10.438 6 -1.10841513D+03 6.83010331D+02 -1.67898502D+02 2.05962831D+01 -1.26096395D+00 3.08269134D-02 248 80.02 ' hg++' 18.756 6 -2.51144794D+03 1.46151135D+03 -3.38801957D+02 3.91264052D+01 -2.25228940D+00 5.17353781D-02 249 81.00 ' tl' 0.000 6 -7.06410572D+03 4.32693146D+03 -1.05894264D+03 1.29459040D+02 -7.90722661D+00 1.93075436D-01 250 81.01 ' tl+' 6.108 6 -1.31993929D+03 7.95739595D+02 -1.91433307D+02 2.29752495D+01 -1.37579444D+00 3.28881582D-02 251 81.02 ' tl++' 20.428 6 -2.59699591D+03 1.55198198D+03 -3.69570806D+02 4.38523548D+01 -2.59324664D+00 6.11527824D-02 252 82.00 ' pb' 0.000 6 -7.52316023D+03 4.58632314D+03 -1.11688396D+03 1.35844826D+02 -8.25494080D+00 2.00590715D-01 253 82.01 ' pb+' 7.417 6 1.22426512D+02 -7.37299333D+01 1.77145792D+01 -2.10318100D+00 1.22745300D-01 -2.79428874D-03 254 82.02 ' pb++' 15.032 6 -1.92968128D+03 1.14843377D+03 -2.72370783D+02 3.21827996D+01 -1.89482801D+00 4.44802769D-02 255 83.00 ' bi' 0.000 6 -7.97295858D+02 4.69424675D+02 -1.10625528D+02 1.30842186D+01 -7.77955465D-01 1.86374025D-02 256 83.01 ' bi+' 7.289 6 2.71588428D+03 -1.63060544D+03 3.90830389D+02 -4.67315485D+01 2.78606065D+00 -6.62043468D-02 257 83.02 ' bi++' 16.688 6 -7.08351513D+02 4.23981296D+02 -1.01101913D+02 1.20260342D+01 -7.14185512D-01 1.69573735D-02 258 84.00 ' po' 0.000 6 -1.65000448D+03 9.96298651D+02 -2.40408040D+02 2.90121524D+01 -1.75139122D+00 4.23224422D-02 259 84.01 ' po+' 8.417 6 1.54714133D+03 -9.20162490D+02 2.18385149D+02 -2.58388359D+01 1.52403863D+00 -3.58327350D-02 260 84.02 ' po++' 18.598 6 1.52183912D+03 -9.12892764D+02 2.18622310D+02 -2.61489827D+01 1.56277768D+00 -3.73196722D-02 261 85.00 ' at' 0.000 6 -8.55331100D+03 5.11578747D+03 -1.22189482D+03 1.45710376D+02 -8.67560969D+00 2.06337435D-01 262 85.01 ' at+' 9.919 6 -1.18332813D+02 6.26398800D+01 -1.26999401D+01 1.23321748D+00 -5.62779433D-02 9.37795189D-04 263 85.02 ' at++' 18.598 6 2.31109178D+02 -1.39924137D+02 3.39603856D+01 -4.11387620D+00 2.48567123D-01 -5.97494475D-03 264 86.00 ' rn' 0.000 6 -1.11974448D+04 6.72966710D+03 -1.61472157D+03 1.93363000D+02 -1.15571455D+01 2.75833495D-01 265 86.01 ' rn+' 10.749 6 -5.13424863D+01 3.23540784D+01 -7.90101129D+00 9.62158747D-01 -5.86054815D-02 1.43358402D-03 266 86.02 ' rn++' 21.077 6 7.49826768D+02 -4.48348614D+02 1.07047078D+02 -1.27327563D+01 7.54387809D-01 -1.78006916D-02 267 87.00 ' fr' 0.000 6 1.11313580D+04 -6.98360216D+03 1.74688635D+03 -2.17706701D+02 1.35134234D+01 -3.34097835D-01 268 87.01 ' fr+' 3.720 6 -1.29889288D+02 7.71596367D+01 -1.82812884D+01 2.15970864D+00 -1.27236786D-01 2.99090485D-03 269 87.02 ' fr++' 24.797 6 2.71316305D+02 -1.60419456D+02 3.79618007D+01 -4.47176157D+00 2.62145192D-01 -6.11422640D-03 270 88.00 ' ra' 0.000 6 9.23014460D+03 -5.80736306D+03 1.45743951D+03 -1.82316537D+02 1.13640883D+01 -2.82244267D-01 271 88.01 ' ra+' 5.279 6 -1.62116214D+03 9.07562406D+02 -2.02003214D+02 2.23681918D+01 -1.23373380D+00 2.71740795D-02 272 88.02 ' ra++' 10.147 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 273 89.00 ' ac' 0.000 6 -6.39213105D+02 3.02395114D+02 -5.25867953D+01 3.90215562D+00 -9.15448582D-02 -1.08306668D-03 274 89.01 ' ac+' 6.894 6 3.98705336D+03 -2.29877557D+03 5.28361776D+02 -6.05712359D+01 3.46573282D+00 -7.91775343D-02 275 89.02 ' ac++' 12.064 6 -1.25606924D+03 7.37903616D+02 -1.72468284D+02 2.00738678D+01 -1.16373087D+00 2.68995515D-02 276 90.00 ' th' 0.000 6 -2.70353936D+03 1.58069813D+03 -3.67192792D+02 4.23603089D+01 -2.42651667D+00 5.52752420D-02 277 90.01 ' th+' 6.307 6 -11.38464d0 1.767122d0 0.0 0.0 0.0 0.0 278 90.02 ' th++' 11.531 6 1.5845084D-04 8.2036050D-04 3.5486368D-03 1.0255150D-02 -3.1525176D-04 -2.2709442D-05 279 91.00 ' pa' 0.000 6 -1.12173219D+03 6.96981923D+02 -1.74370835D+02 2.19343463D+01 -1.38320525D+00 3.49528827D-02 280 91.01 ' pa+' 5.9 6 -6.47270349D+03 3.66839940D+03 -8.32242364D+02 9.44558481D+01 -5.36024528D+00 1.21660671D-01 281 91.02 ' pa++' 11.159 6 1.87901542D+04 -1.09089748D+04 2.52231788D+03 -2.90482027D+02 1.66711689D+01 -3.81565759D-01 282 92.00 ' u ' 0.000 6 -7.80733849D+02 4.15269002D+02 -8.50971724D+01 8.30809555D+00 -3.77141610D-01 6.08341139D-03 283 92.01 ' u +' 6.194 6 1.20793703D+02 -1.30861494D+02 4.48063653D+01 -6.84490372D+00 4.88529516D-01 -1.32730303D-02 284 92.02 ' u ++' 11.159 6 5.18480529D+03 -3.02564444D+03 7.03396006D+02 -8.14028851D+01 4.68959696D+00 -1.07563314D-01 18 6.03 ' c +++' 47.888 6 6.93147200D-01 0.0 0.0 0.0 0.0 0.0 22 7.03 ' n +++' 47.449 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 23 7.04 ' n ++++' 77.474 6 6.93147200D-01 0.0 0.0 0.0 0.0 0.0 27 8.03 ' o +++' 54.936 6 1.79175950D+00 0.0 0.0 0.0 0.0 0.0 28 8.04 ' o ++++' 77.414 6 0.00000000D+00 0.0 0.0 0.0 0.0 0.0 29 8.05 ' o +++++' 113.899 6 6.93147200D-01 0.0 0.0 0.0 0.0 0.0 36 10.03 ' ne+++' 63.455 6 1.38629880D+00 0. 0. 0. 0. 0. 37 10.04 ' ne++++' 97.117 6 2.19722460D+00 0. 0. 0. 0. 0. 38 10.05 ' ne+++++' 126.216 6 1.79175950D+00 0. 0. 0. 0. 0. 285 13.03 ' al+++' 119.99 6 0. 0. 0. 0. 0. 0.