File: f0_WaasKirf.dat

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#F f0_WaasKirf.dat                                                           
#UT  Elastic Photon-Atom Scattering, relativistic form factors.              
#UF0TYPE PARAMETRIZATION ; TABLE OR PARAMETRIZATION? 
#UIDL xf0
#C   This file has been created using f0_WaasKirf.tcl 
#D   Tue Oct  1 14:37:14 CEST 2002
#C  This file belongs to the DABAX library. More information on
#C  DABAX can be found at:
#C  http://www.esrf.fr/computing/scientific/dabax
#UD  Elastic Photon-Atom Scattering, relativistic form factors.              
#UD                                                                          
#UD  This data set contains data calculated by D. Waasmaier & A. Kirfel.     
#UD  The original data is available from :                                   
#UD          ftp://wrzx02.rz.uni-wuerzburg.de/pub/local/Crystallography      
#UD  These data, computed for neutral atoms and ions are valid for the full  
#UD  range of sin(theta)/lambda from 0.0 to 6.0 A-1.This table have been     
#UD  developped from fits of o linear combination of five Gaussians to the   
#UD  values of the scattering factors tabulated in "International tables for 
#UD  Crystallography (1992) [Vol. C. Dordrecht: Kluwer Academic Publishers]. 
#UD  For a detailed discussion of the underlying validity of the             
#UD  information contained in these directories see, for example:            
#UD                                                                          
#UD          New Analytical Scattering Factor Functions for Free Atoms       
#UD                    and Ions for Free Atoms and Ions                      
#UD                       D. Waasmaier & A. Kirfel                           
#UD                    Acta Cryst. (1995). A51, 416-413                      
#UD                                                                          
#UD  fo the non-dispersive part of the atomic scattering factor is a	    
#UD  function of the selected element and of sin(theta)/lambda, where	    
#UD  lambda is the photon wavelengh and theta is incident angle.		    
#UD  This function can be approximated by a function:			    
#UD                                                                          
#UD    f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ]				    
#UD                i=1,5							    
#UD                                                                          
#UD  where k = sin(theta) / lambda and c, a_i and b_i			    
#UD  are the coefficients tabulated in this file (in columns: 		    
#UD  a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5				    
#C                                                                           
#C    The original README fime from D. Waasmaier & A. Kirfel follows here :  
#C                                                                           
#UO                          April, 1995                                     
#UO                                                                          
#UO This directory contains the results of the publication:                  
#UO                                                                          
#UO    New Analytical Scattering Factor Functions for Free Atoms and Ions    
#UO                        D. Waasmaier & A. Kirfel                          
#UO                     Acta Cryst. (1995). A51, 416-413                     
#UO                                                                          
#UO - *.zip: A detailed compilation of all relevant results (one page per    
#UO      atom or ion) has been prepared in form of an 'atlas'. This atlas is    
#UO      stored in the postscript-files                                         
#UO      sfac10.zip - sfac98.zip for atoms with increasing atom number and      
#UO      sfaci1.zip - sfaci6.zip for ions, again with increasing atom number.   
#UO                                                                             
#UO - abstract.ps contains an extract of the publication refering to the atlas. 
#UO                                                                             
#UO - sfac.dat contains the new parameters ai, bi and c for all atoms and ions. 
#UO                                                                             
#UO      Fitparameters of all atoms/ions (with the excepetion of O1-)           
#UO      from publication "New Analytical Scattering Factor Functions for       
#UO      Free Atoms and Ions", D. Waasmaier & A. Kirfel, Acta Cryst. A 95       
#UO                                                                             
#UO      Fit for O1- based on the tabulated values of Table 2 (D.REZ,           
#UO      P.REZ & I.GRANT, Acta Cryst. (1994), A50, 481-497).                    
#UO                                                                             
#UO      Fits for all other atoms/ions based on the tabulated values            
#UO      of Table 6.1.1.1 (atoms) and Table 6.1.1.3 (ions)                      
#UO      (International Tables for Crystallography, Vol. C, 1992).              
#S  1  H
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.413048  0.294953  0.187491  0.080701  0.023736  0.000049  15.569946 32.398468  5.711404 61.889874  1.334118  
#S  1  H1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.702260  0.763666  0.248678  0.261323  0.023017  0.000425  23.945604 74.897919  6.773289 233.583450  1.337531  
#S  2  He
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.732354  0.753896  0.283819  0.190003  0.039139  0.000487  11.553918  4.595831  1.546299 26.463964  0.377523  
#S  3  Li
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.974637  0.158472  0.811855  0.262416  0.790108  0.002542   4.334946  0.342451 97.102966 201.363831  1.409234  
#S  3  Li1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.432724  0.549257  0.376575 -0.336481  0.976060  0.001764   0.260367  1.042836  7.885294  0.260368  3.042539  
#S  4  Be
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.533712  0.638283  0.601052  0.106139  1.118414  0.002511  42.662079  0.595420 99.106499  0.151340  1.843093  
#S  4  Be2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.055430 -2.372617  1.044914  0.544233  0.381737 -0.653773   0.001226  0.001227  1.542106  0.456279  4.047479  
#S  5  B
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  2.085185  1.064580  1.062788  0.140515  0.641784  0.003823  23.494068  1.137894 61.238976  0.114886  0.399036  
#S  6  C
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  2.657506  1.078079  1.490909 -4.241070  0.713791  4.297983  14.780758  0.776775 42.086842 -0.000294  0.239535  
#S  6  Cval
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.258489  0.728215  1.119856  2.168133  0.705239  0.019722  10.683769  0.208177  0.836097 24.603704 58.954273  
#S  7  N
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.893780  3.277479  1.858092  0.858927  0.912985 -11.804902   0.000158 10.232723 30.344690  0.656065  0.217287  
#S  8  O
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  2.960427  2.508818  0.637853  0.722838  1.142756  0.027014  14.182259  5.936858  0.112726 34.958481  0.390240  
#S  8  O1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.106934  3.235142  1.148886  0.783981  0.676953  0.046136  19.868080  6.960252  0.170043 65.693512  0.630757  
#S  8  O2-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.990247  2.300563  0.607200  1.907882  1.167080  0.025429  16.639956  5.636819  0.108493 47.299709  0.379984  
#S  9  F
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.511943  2.772244  0.678385  0.915159  1.089261  0.032557  10.687859  4.380466  0.093982 27.255203  0.313066  
#S  9  F1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  0.457649  3.841561  1.432771  0.801876  3.395041  0.069525   0.917243  5.507803  0.164955 51.076206 15.821679  
#S  10  Ne
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.183749  2.905726  0.520513  1.135641  1.228065  0.025576   8.175457  3.252536  0.063295 21.813910  0.224952  
#S  11  Na
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.910127  3.081783  1.262067  1.098938  0.560991  0.079712   3.281434  9.119178  0.102763 132.013947  0.405878  
#S  11  Na1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.148690  4.073989  0.767888  0.995612  0.968249  0.045300   2.594987  6.046925  0.070139 14.122657  0.217037  
#S  12  Mg
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.708971  1.194814  1.558157  1.170413  3.239403  0.126842   4.875207 108.506081  0.111516 48.292408  1.928171  
#S  12  Mg2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.062918  4.135106  0.853742  1.036792  0.852520  0.058851   2.015803  4.417941  0.065307  9.669710  0.187818  
#S  13  Al
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.730796  2.313951  1.541980  1.117564  3.154754  0.139509   3.628931 43.051167  0.095960 108.932388  1.555918  
#S  13  Al3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.132015  0.912049  1.102425  0.614876  3.219136  0.019397   3.528641  7.378344  0.133708  0.039065  1.644728  
#S  14  Si
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  5.275329  3.191038  1.511514  1.356849  2.519114  0.145073   2.631338 33.730728  0.081119 86.288643  1.170087  
#S  14  Siva
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  2.879033  3.072960  1.515981  1.390030  4.995051  0.146030   1.239713 38.706276  0.081481 93.616333  2.770293  
#S  14  Si4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  3.676722  3.828496  1.258033  0.419024  0.720421  0.097266   1.446851  3.013144  0.064397  0.206254  5.970222  
#S  15  P
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.950541  4.146930  1.494560  1.522042  5.729711  0.155233   0.908139 27.044952  0.071280 67.520187  1.981173  
#S  16  S
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.372157  5.154568  1.473732  1.635073  1.209372  0.154722   1.514347 22.092527  0.061373 55.445175  0.646925  
#S  17  Cl
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.446071  6.870609  6.151801  1.750347  0.634168  0.146773   0.052357  1.193165 18.343416 46.398396  0.401005  
#S  17  Cl1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.061802  7.139886  6.524271  2.355626 35.829403 -34.916603   0.144727  1.171795 19.467655 60.320301  0.000436  
#S  18  Ar
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.188004  6.638454  0.454180  1.929593  1.523654  0.265954   0.956221 15.339877 15.339862 39.043823  0.062409  
#S  19  K
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  8.163991  7.146945  1.070140  0.877316  1.486434  0.253614  12.816323  0.808945 210.327011 39.597652  0.052821  
#S  19  K1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
-17.609339  1.494873  7.150305 10.899569 15.808228  0.257164  18.840979  0.053453  0.812940 22.264105 14.351593  
#S  20  Ca
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  8.593655  1.477324  1.436254  1.182839  7.113258  0.196255  10.460644  0.041891 81.390381 169.847839  0.688098  
#S  20  Ca2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  8.501441 12.880483  9.765095  7.156669  0.711160 -21.013187  10.525848 -0.004033  0.010692  0.684443 27.231771  
#S  21  Sc
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  1.476566  1.487278  1.600187  9.177463  7.099750  0.157765  53.131023  0.035325 137.319489  9.098031  0.602102  
#S  21  Sc3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.104348  1.511488 -53.669773 38.404816 24.532240  0.118642   0.601957  0.033386 12.572138 10.859736 14.125230  
#S  22  Ti
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  9.818524  1.522646  1.703101  1.768774  7.082555  0.102473   8.001879  0.029763 39.885422 120.157997  0.532405  
#S  22  Ti2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.040119  1.496285  9.657304  0.006534  1.649561  0.150362   0.537072  0.031914  8.009958 201.800293 24.039482  
#S  22  Ti3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 36.587933  7.230255 -9.086077  2.084594 17.294008 -35.111282   0.000681  0.522262  5.262317 15.881716  6.149805  
#S  22  Ti4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 45.355537  7.092900  7.483858 -43.498817  1.678915 -0.110628   9.252186  0.523046 13.082852 10.193876  0.023064  
#S  23  V
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 10.473575  1.547881  1.986381  1.865616  7.056250  0.067744   7.081940  0.026040 31.909672 108.022842  0.474882  
#S  23  V2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.754356  2.064100  2.576998  2.011404  7.126177 -0.533379   7.066315  0.014993  7.066308 22.055786  0.467568  
#S  23  V3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  9.958480  1.596350  1.483442 -10.846044 17.332867  0.474921   6.763041  0.056895 17.750029  0.328826  0.388013  
#S  23  V5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.575018  8.448095  1.612040 -9.721855  1.534029  0.552676   0.682708  5.566640 10.527077  0.907961  0.066667  
#S  24  Cr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.007069  1.555477  2.985293  1.347855  7.034779  0.065510   6.366281  0.023987 23.244839 105.774498  0.429369  
#S  24  Cr2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 10.598877  1.565858  2.728280  0.098064  6.959321  0.049870   6.151846  0.023519 17.432816 54.002388  0.426301  
#S  24  Cr3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.989310  1.765079  2.627125  1.829380  6.980908 -0.192123   6.068867  0.018342  6.068887 16.309284  0.420864  
#S  25  Mn
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.709542  1.733414  2.673141  2.023368  7.003180 -0.147293   5.597120  0.017800 21.788420 89.517914  0.383054  
#S  25  Mn2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.287712 26.042414  3.058096  0.090258  7.088306 -24.566132   5.506225  0.000774 16.158575 54.766354  0.375580  
#S  25  Mn3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.926972  2.081342 11.128379  2.375107 -0.419287 -0.093713   0.378315  0.015054  5.379957 14.429586  0.004939  
#S  25  Mn4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 12.409131  7.466993  1.809947 -12.138477 10.780248  0.672146   0.300400  0.112814 12.520756  0.168653  5.173237  
#S  26  Fe
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 12.311098  1.876623  3.066177  2.070451  6.975185 -0.304931   5.009415  0.014461 18.743040 82.767876  0.346506  
#S  26  Fe2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.776765 11.165097  3.533495  0.165345  7.036932 -9.676919   4.912232  0.001748 14.166556 42.381958  0.341324  
#S  26  Fe3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  9.721638 63.403847  2.141347  2.629274  7.033846 -61.930725   4.869297  0.000293  4.867602 13.539076  0.338520  
#S  27  Co
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 12.914510  2.481908  3.466894  2.106351  6.960892 -0.936572   4.507138  0.009126 16.438129 76.987320  0.314418  
#S  27  Co2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.993840 26.285812 12.254289  0.246114  4.017407 -24.796852   0.310779  0.000684  4.400528 35.741447 12.536393  
#S  27  Co3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.861739  2.678570 12.281889  3.501741 -0.179384 -1.147345   0.309794  0.008142  4.331703 11.914167 11.914167  
#S  28  Ni
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 13.521865  6.947285  3.866028  2.135900  4.284731 -2.762697   4.077277  0.286763 14.622634 71.966080  0.004437  
#S  28  Ni2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 12.519017 37.832058  4.387257  0.661552  6.949072 -36.344471   3.933053  0.000442 10.449184 23.860998  0.283723  
#S  28  Ni3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 13.579366  1.902844 12.859268  3.811005 -6.838595 -0.317618   0.313140  0.012621  3.906407 10.894311  0.344379  
#S  29  Cu
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 14.014192  4.784577  5.056806  1.457971  6.932996 -3.254477   3.738280  0.003744 13.034982 72.554794  0.265666  
#S  29  Cu1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 12.960763 16.342150  1.110102  5.520682  6.915452 -14.849320   3.576010  0.000975 29.523218 10.114283  0.261326  
#S  29  Cu2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 11.895569 16.344978  5.799817  1.048804  6.789088 -14.878383   3.378519  0.000924  8.133653 20.526524  0.254741  
#S  30  Zn
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 14.741002  6.907748  4.642337  2.191766 38.424042 -36.915829   3.388232  0.243315 11.903689 63.312130  0.000397  
#S  30  Zn2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 13.340772 10.428857  5.544489  0.762295  6.869172 -8.945248   3.215913  0.001413  8.542680 21.891756  0.239215  
#S  31  Ga
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.758946  6.841123  4.121016  2.714681  2.395246 -0.847395   3.121754  0.226057 12.482196 66.203621  0.007238  
#S  31  Ga3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 13.123875 35.288189  6.126979  0.611551  6.724807 -33.875122   2.809960  0.000323  6.831534 16.784311  0.212002  
#S  32  Ge
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.540613  1.567900  3.727829  3.345098  6.785079  0.018726   2.866618  0.012198 13.432163 58.866047  0.210974  
#S  32  Ge4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.876636  6.779091  9.969591  3.135857  0.152389  1.086542   2.025174  0.176650  3.573822  7.685848 16.677574  
#S  33  As
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.025642  4.503441  3.715904  3.937200  6.790175 -2.984117   2.597739  0.003012 14.272119 50.437996  0.193015  
#S  34  Se
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.354071  4.653248  4.259489  4.136455  6.749163 -3.160982   2.349787  0.002550 15.579460 45.181202  0.177432  
#S  35  Br
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.550570  5.411882  3.937180  3.880645  6.707793 -2.492088   2.119226 16.557184  0.002481 42.164009  0.162121  
#S  35  Br1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.714310  6.466926  6.947385  4.402674 -0.697279  1.152674   2.122554 19.050768  0.152708 58.690361 58.690372  
#S  36  Kr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.655279  6.848105  4.171004  3.446760  6.685200 -2.810592   1.908231 16.606236  0.001598 39.917473  0.146896  
#S  37  Rb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  8.123134  2.138042  6.761702  1.156051 17.679546  1.139548  15.142385 33.542667  0.129372 224.132507  1.713368  
#S  37  Rb1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.684320  7.761588  6.680874  2.668883  0.070974  1.133263   1.710209 14.919863  0.128542 31.654478  0.128543  
#S  38  Sr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.730219  9.795867  6.099763  2.620025  0.600053  1.140251   1.563060 14.310868  0.120574 135.771317  0.120574  
#S  38  Sr2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.694973  1.275762  6.154252  9.234786  0.515995  1.125309   1.550888 30.133041  0.118774 13.821799  0.118774  
#S  39  Y
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.792040 10.253252  5.714949  3.170516  0.918251  1.131787   1.429691 13.132816  0.112173 108.197029  0.112173  
#S  40  Zr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.859772 10.911038  5.821115  3.512513  0.746965  1.124859   1.310692 12.319285  0.104353 91.777542  0.104353  
#S  40  Zr4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.802956 17.699253 10.650647 -0.248108  0.250338  0.827902   0.096228  1.296127 11.240715 -0.219259 -0.219021  
#S  41  Nb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.958399 12.063054  5.007015  3.287667  1.531019  1.123452   1.211590 12.246687  0.098615 75.011948  0.098615  
#S  41  Nb3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.714323  1.675213  7.483963  8.322464 11.143573 -8.339573   1.172419 30.102791  0.080255 -0.002983 10.456687  
#S  41  Nb5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.580206  7.633277 10.793497  0.180884 67.837921 -68.024780   1.165852  0.078558  9.507652 31.621656 -0.000438  
#S  42  Mo
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.236218 17.987711 12.973127  3.451426  0.210899  1.108770   0.090780  1.108310 11.468720 66.684151  0.090780  
#S  42  Mo3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.447050 17.778122 11.886068  1.997905  1.789626 -1.898764   0.072000  1.073145  9.834720 28.221746 -0.011674  
#S  42  Mo5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  7.929879 17.667669 11.515987  0.500402 77.444084 -78.056595   0.068856  1.068064  9.046229 26.558945 -0.000473  
#S  42  Mo6+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 34.757683  9.653037  6.584769 -18.628115  2.490594  1.141916   1.301770  7.123843  0.094097  1.617443 12.335434  
#S  43  Tc
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.840963  3.428236  1.373012 12.947364  6.335469  1.074784   1.005729 41.901382 119.320541  9.781542  0.083391  
#S  44  Ru
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.271624 17.906738 14.123269  3.746008  0.908235  1.043992   0.077040  0.928222  9.555345 35.860680 123.552246  
#S  44  Ru3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.894758 13.579529 10.729251  2.474095 48.227997 -51.905243   0.902827  8.740579  0.045125 24.764954 -0.001699  
#S  44  Ru4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.845776 13.455084 10.229087  1.653524 14.059795 -17.241762   0.901070  8.482392  0.045972 23.015272 -0.004889  
#S  45  Rh
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.216648 17.919739  3.854252  0.840326 15.173498  0.995452   0.070789  0.856121 33.889484 121.686691  9.029517  
#S  45  Rh3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.758621 14.569813  5.298320  2.533579  0.879753  0.960843   0.841779  8.319533  0.069050 23.709131  0.069050  
#S  45  Rh4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.716188 14.446654  5.185801  1.703448  0.989992  0.959941   0.840572  8.100647  0.068995 22.357307  0.068995  
#S  46  Pd
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.121511  4.784063 16.631683  4.318258 13.246773  0.883099   0.062549  0.784031  8.751391 34.489983  0.784031  
#S  46  Pd2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.122282 15.651012  3.513508  9.060790  8.771199  0.879336   0.062424  8.018296 24.784275  0.776457  0.776457  
#S  46  Pd4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.152421 -96.069023 31.622141 81.578255 17.801403  0.915874   0.063951 11.090354 13.466152  9.758302  0.783014  
#S  47  Ag
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.073874 17.155437  4.173344  0.852238 17.988686  0.756603   0.055333  7.896512 28.443739 110.376106  0.716809  
#S  47  Ag1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.091192  4.019526 16.948174  4.258638 13.889437  0.785127   0.056305  0.719340  7.758938 27.368349  0.719340  
#S  47  Ag2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.401808 48.699802  4.799859 -32.332523 16.356710  1.068247   0.068167  0.942270 20.639496  1.100365  6.883131  
#S  48  Cd
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.080986 18.019468  4.018197  1.303510 17.974669  0.603504   0.048990  7.273646 29.119284 95.831207  0.661231  
#S  48  Cd2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.093711 43.909691 17.041306 -39.675117 17.958918  0.664795   0.050624  8.654143 15.621396 11.082067  0.667591  
#S  49  In
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.196477 18.816183  4.050479  1.638929 17.962912  0.333097   0.042072  6.695665 31.009790 103.284348  0.610714  
#S  49  In3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.206277 18.497746  3.078131 10.524613  7.401234  0.293677   0.041357  6.605563 18.792250  0.608082  0.608082  
#S  50  Sn
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.325171  6.281571  4.498866  1.856934 17.917318  0.119024   6.118104  0.036915 32.529045 95.037186  0.565651  
#S  50  Sn2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.353672  4.770377 14.672025  4.235959 18.002131 -0.042519   0.034720  6.167891  6.167879 29.006456  0.561774  
#S  50  Sn4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.445732  6.420892  4.562980  1.713385 18.033537 -0.172219   6.280898  0.033144  6.280899 17.983601  0.557980  
#S  51  Sb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  5.394956  6.549570 19.650681  1.827820 17.867832 -0.290506  33.326523  0.030974  5.564929 87.130966  0.523992  
#S  51  Sb3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 10.189171 57.461918 19.356573  4.862206 -45.394096  1.516108   0.089485  0.375256  5.357987 22.153736  0.297768  
#S  51  Sb5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.920622  6.647932 12.724075  1.555545  7.600591 -0.445371   0.522315  0.029487  5.718210 16.433775  5.718204  
#S  52  Te
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  6.660302  6.940756 19.847015  1.557175 17.802427 -0.806668  33.031654  0.025750  5.065547 84.101616  0.487660  
#S  53  I
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.884502  6.736593  8.110516  1.170953 17.548716 -0.448811   4.628591  0.027754 31.849096 84.406387  0.463550  
#S  53  I1-
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 20.010330 17.835524  8.104130  2.231118  9.158548 -3.341004   4.565931  0.444266 32.430672 95.149040  0.014906  
#S  54  Xe
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.978920 11.774945  9.332182  1.244749 17.737501 -6.065902   4.143356  0.010142 28.796200 75.280685  0.413616  
#S  55  Cs
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.418674  8.314444 10.323193  1.383834 19.876251 -2.322802   0.399828  0.016872 25.605827 233.339676  3.826915  
#S  55  Cs1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.939056 24.967621 10.375884  0.454243 17.660248 -19.394306   3.770511  0.004040 25.311275 76.537766  0.384730  
#S  56  Ba
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.747343 17.368477 10.465718  2.592602 11.003653 -5.183497   3.481823  0.371224 21.226641 173.834274  0.010719  
#S  56  Ba2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.750200 17.513683 10.884892  0.321585 65.149834 -59.618172   3.430748  0.361590 21.358307 70.309402  0.001418  
#S  57  La
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.966019 27.329655 11.018425  3.086696 17.335455 -21.745489   3.197408  0.003446 19.955492 141.381973  0.341817  
#S  57  La3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 19.688887 17.345703 11.356296  0.099418 82.358124 -76.846909   3.146211  0.339586 18.753832 90.345459  0.001072  
#S  58  Ce
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.355122 43.988499 20.546650  3.130670 11.353665 -38.386017   0.328369  0.002047  3.088196 134.907654 18.832960  
#S  58  Ce3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 26.593231 85.866432 -6.677695 12.111847 17.401903 -80.313423   3.280381  0.001012  4.313575 17.868504  0.326962  
#S  58  Ce4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.457533 25.659941 11.691037 19.695251 -16.994749 -3.515096   0.311812 -0.003793 16.568687  2.886395 -0.008931  
#S  59  Pr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 21.551311 17.161730 11.903859  2.679103  9.564197 -3.871068   2.995675  0.312491 17.716705 152.192825  0.010468  
#S  59  Pr3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 20.879841 36.035797 12.135341  0.283103 17.167803 -30.500784   2.870897  0.002364 16.615236 53.909359  0.306993  
#S  59  Pr4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.496082 21.538509 20.403114 12.062211 -7.492043 -9.016722   0.294457 -0.002742  2.772886 15.804613 -0.013556  
#S  60  Nd
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.331244 62.783924 12.160097  2.663483 22.239950 -57.189842   0.300269  0.001320 17.026001 148.748993  2.910268  
#S  60  Nd3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.120077 56.038139 21.468307 10.000671  2.905866 -50.541992   0.291295  0.001421  2.743681 14.581367 22.485098  
#S  61  Pm
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.286388 51.560162 12.478557  2.675515 22.960947 -45.973682   0.286620  0.001550 16.223755 143.984512  2.796480  
#S  61  Pm3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 22.221066 17.068142 12.805423  0.435687 52.238770 -46.767181   2.635767  0.277039 14.927315 45.768017  0.001455  
#S  62  Sm
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 23.700363 23.072214 12.777782  2.684217 17.204367 -17.452166   2.689539  0.003491 15.495437 139.862473  0.274536  
#S  62  Sm3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.618565 19.538092 13.398946 -4.358811 24.490461 -9.714854   0.006001  0.306379 14.979594  0.748825  2.454492  
#S  63  Eu
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.186195 37.156837 13.103387  2.707246 24.419271 -31.586687   0.261678  0.001995 14.787360 134.816299  2.581883  
#S  63  Eu2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 23.899035 31.657497 12.955752  1.700576 16.992199 -26.204315   2.467332  0.002230 13.625002 35.089481  0.253136  
#S  63  Eu3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.758327 33.498665 24.067188 13.436883 -9.019134 -19.768026   0.244474 -0.003901  2.487526 14.568011 -0.015628  
#S  64  Gd
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 24.898117 17.104952 13.222581  3.266152 48.995213 -43.505684   2.435028  0.246961 13.996325 110.863091  0.001383  
#S  64  Gd3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 24.344999 16.945311 13.866931  0.481674 93.506378 -88.147179   2.333971  0.239215 12.982995 43.876347  0.000673  
#S  65  Tb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 25.910013 32.344139 13.765117  2.751404 17.064405 -26.851971   2.373912  0.002034 13.481969 125.836510  0.236916  
#S  65  Tb3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 24.878252 16.856016 13.663937  1.279671 39.271294 -33.950317   2.223301  0.227290 11.812528 29.910065  0.001527  
#S  66  Dy
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 26.671785 88.687576 14.065445  2.768497 17.067781 -83.279831   2.282593  0.000665 12.920230 121.937187  0.225531  
#S  66  Dy3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.864344 90.383461 13.675473  1.687078 25.540651 -85.150650   0.216275  0.000593 11.121207 26.250975  2.135930  
#S  67  Ho
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 27.150190 16.999819 14.059334  3.386979 46.546471 -41.165253   2.169660  0.215414 12.213148 100.506783  0.001211  
#S  67  Ho3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.837524 63.221336 13.703766  2.061602 26.202621 -58.026505   0.206873  0.000796 10.500283 24.031883  2.055060  
#S  68  Er
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.174887 82.493271 14.624002  2.802756 17.018515 -77.135223   2.120995  0.000640 11.915256 114.529938  0.207519  
#S  68  Er3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.810127 22.681061 13.864114  2.294506 26.864477 -17.513460   0.198293  0.002126  9.973341 22.836388  1.979442  
#S  69  Tm
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.925894 76.173798 14.904704  2.814812 16.998117 -70.839813   2.046203  0.000656 11.465375 111.411980  0.199376  
#S  69  Tm3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.787500 15.350905 14.182357  2.299111 27.573771 -10.192087   0.190852  0.003036  9.602934 22.526880  1.912862  
#S  70  Yb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 29.676760 65.624069 15.160854  2.830288 16.997850 -60.313812   1.977630  0.000720 11.044622 108.139153  0.192110  
#S  70  Yb2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.443794 16.849527 14.165081  3.445311 28.308853 -23.214935   1.863896  0.183811  9.225469 23.691355  0.001463  
#S  70  Yb3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.191629 16.828087 14.167848  2.744962 23.171774 -18.103676   1.842889  0.182788  9.045957 20.799847  0.001759  
#S  71  Lu
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 30.122866 15.099346 56.314899  3.540980 16.943729 -51.049416   1.883090 10.342764  0.000780 89.559250  0.183849  
#S  71  Lu3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.828693 16.823227 14.247617  3.079559 25.647667 -20.626528   1.776641  0.175560  8.575531 19.693701  0.001453  
#S  72  Hf
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 30.617033 15.145351 54.933548  4.096253 16.896156 -49.719837   1.795613  9.934469  0.000739 76.189705  0.175914  
#S  72  Hf4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 29.267378 16.792543 14.785310  2.184128 23.791996 -18.820383   1.697911  0.168313  8.190025 18.277578  0.001431  
#S  73  Ta
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.066359 15.341823 49.278297  4.577665 16.828321 -44.119026   1.708732  9.618455  0.000760 66.346199  0.168002  
#S  73  Ta5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 29.539469 16.741854 15.182070  1.642916 16.437447 -11.542459   1.612934  0.160460  7.654408 17.070732  0.001858  
#S  74  W
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.507900 15.682498 37.960129  4.885509 16.792112 -32.864574   1.629485  9.446448  0.000898 59.980675  0.160798  
#S  74  W6+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 29.729357 17.247808 15.184488  1.154652  0.739335  3.945157   1.501648  0.140803  6.880573 14.299601 14.299618  
#S  75  Re
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.888456 16.117104 42.390297  5.211669 16.767591 -37.412682   1.549238  9.233474  0.000689 54.516373  0.152815  
#S  76  Os
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.210297 16.678440 48.559906  5.455839 16.735533 -43.677956   1.473531  9.049695  0.000519 50.210201  0.145771  
#S  76  Os4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 17.113485 15.792370 23.342392  4.090271  7.671292  3.988390   0.131850  7.288542  1.389307 19.629425  1.389307  
#S  77  Ir
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.004436  1.975454 17.070105 15.939454  5.990003  4.018893   1.353767 81.014175  0.128093  7.661196 26.659403  
#S  77  Ir3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.537575 16.363338 15.597141  5.051404  1.436935  4.009459   1.334144  7.451918  0.127514 21.705648  0.127515  
#S  77  Ir4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 30.391249 16.146996 17.019068  4.458904  0.975372  4.006865   1.328519  7.181766  0.127337 19.060146  1.328519  
#S  78  Pt
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.273891 18.445440 17.063745  5.555933  1.575270  4.050394   1.316992  8.797154  0.124741 40.177994  1.316997  
#S  78  Pt2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.986849 17.249048 15.269374  5.760234  1.694079  4.032512   1.281143  7.625512  0.123571 24.190826  0.123571  
#S  78  Pt4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 41.932713 16.339224 17.653894  6.012420 -12.036877  4.094551   1.111409  6.466086  0.128917 16.954155  0.778721  
#S  79  Au
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.777390 19.317156 32.979683  5.595453 10.576854 -6.279078   0.122737  8.621570  1.256902 38.008820  0.000601  
#S  79  Au1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.124306 16.716476 16.814100  7.311565  0.993064  4.040792   1.216073  7.165378  0.118715 20.442486 53.095985  
#S  79  Au3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 31.704271 17.545767 16.819551  5.522640  0.361725  4.042679   1.215561  7.220506  0.118812 20.050970  1.215562  
#S  80  Hg
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.839890 20.023823 28.428564  5.881564  4.714706  4.076478   0.115905  8.256927  1.195250 39.247227  1.195250  
#S  80  Hg1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 28.866837 19.277540 16.776051  6.281459  3.710289  4.068430   1.173967  7.583842  0.115351 29.055994  1.173968  
#S  80  Hg2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.411079 18.690371 16.711773  9.974835 -3.847611  4.052869   1.162980  7.329806  0.114518 22.009489 22.009493  
#S  81  Tl
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.630795 19.386616 32.808571  1.747191  6.356862  4.066939   0.110704  7.181401  1.119730 90.660263 26.014978  
#S  81  Tl1+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.295044 16.570049 17.991013  1.535355  7.554591  4.054030   1.101544  0.110020  6.528559 52.495068 20.338634  
#S  81  Tl3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.525639 19.139185 17.100321  5.891115 12.599463 -9.256075   1.094966  6.900992  0.103667 18.489614 -0.001401  
#S  82  Pb
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.419567 32.738590  6.530247  2.342742 19.916475  4.049824   0.105499  1.055049 25.025890 80.906593  6.664449  
#S  82  Pb2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 27.392647 16.496822 19.984501  6.813923  5.233910  4.065623   1.058874  0.106305  6.708123 24.395554  1.058874  
#S  82  Pb4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.505657 20.014240 14.645661  5.029499  1.760138  4.044678   1.047035  6.670321  0.105279 16.525040  0.105279  
#S  83  Bi
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.282274 32.725136  6.678302  2.694750 20.576559  4.040914   0.101180  1.002287 25.714146 77.057549  6.291882  
#S  83  Bi3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.461437 19.438683 16.302486  7.322662  0.431704  4.043703   0.997930  6.038867  0.101338 18.371586 46.361046  
#S  83  Bi5+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.734028 20.580494  9.452623 61.155834 -34.041023  4.113663   0.105076  4.773282 11.762162  1.211775  1.619408  
#S  84  Po
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.289164 32.807171 21.095163  2.505901  7.254589  4.046556   0.098121  0.966265  6.046622 76.598068 28.096128  
#S  85  At
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.011461 32.615547  8.113899  2.884082 21.377867  3.995684   0.092639  0.904416 26.543257 68.372963  5.499512  
#S  86  Rn
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.070229 32.641106 21.489658  2.299218  9.480184  4.020977   0.090437  0.876409  5.239687 69.188477 27.632641  
#S  87  Fr
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 16.007385 32.663830 21.594351  1.598497 11.121192  4.003472   0.087031  0.840187  4.954467 199.805801 26.905106  
#S  88  Ra
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.563690 21.396671 11.298093  2.834688 15.914965  3.981773   0.801980  4.590666 22.758972 160.404388  0.083544  
#S  88  Ra2+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
  4.986228 32.474945 21.947443 11.800013 10.807292  3.956572   0.082597  0.791468  4.608034 24.792431  0.082597  
#S  89  Ac
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.914053 32.535042 21.553976 11.433394  3.612409  3.939212   0.080511  0.770669  4.352206 21.381622 130.500748  
#S  89  Ac3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.584983 32.022125 21.456327  0.757593 12.341252  3.838984   0.077438  0.739963  4.040735 47.525002 19.406845  
#S  90  Th
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.784024 32.454899 21.849222  4.239077 11.736191  3.922533   0.077067  0.735137  4.097976 109.464111 20.512138  
#S  90  Th4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.515445 32.090691 13.996399 12.918157  7.635514  3.831122   0.074499  0.711663  3.871044 18.596891  3.871044  
#S  91  Pa
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.740208 21.973675 12.957398  3.683832 15.744058  3.886066   0.709545  4.050881 19.231543 117.255005  0.074040  
#S  92  U
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.679275 32.824306 13.660459  3.687261 22.279434  3.854444   0.071206  0.681177 18.236156 112.500038  3.930325  
#S  92  U3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.360309 32.395657 21.961290  1.325894 14.251453  3.706622   0.067815  0.654643  3.643409 39.604965 16.330570  
#S  92  U4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.355091 32.235306  0.557745 14.396367 21.751173  3.705863   0.067789  0.652613 42.354237 15.908239  3.553231  
#S  92  U6+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.333844 31.770849 21.274414 13.872636  0.048519  3.700591   0.067644  0.646384  3.317894 14.650250 75.339699  
#S  93  Np
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 32.999901 22.638077 14.219973  3.672950 15.683245  3.769391   0.657086  3.854918 17.435474 109.464485  0.068033  
#S  93  Np3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.378152 32.572132 22.206125  1.413295 14.828381  3.603370   0.064613  0.631420  3.561936 37.875511 15.546129  
#S  93  Np4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.373926 32.423019 21.969994  0.662078 14.969350  3.603039   0.064597  0.629658  3.476389 39.438942 15.135764  
#S  93  Np6+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.359986 31.992825 21.412458  0.066574 14.568174  3.600942   0.064528  0.624505  3.253441 67.658318 13.980832  
#S  94  Pu
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 33.281178 23.148544 15.153755  3.031492 15.704215  3.664200   0.634999  3.856168 16.849735 121.292038  0.064857  
#S  94  Pu3+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.356004 32.769127 22.680210  1.351055 15.416232  3.428895   0.060590  0.604663  3.491509 37.260635 14.981921  
#S  94  Pu4+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.416219 32.610569 22.256662  0.719495 15.518152  3.480408   0.061456  0.607938  3.411848 37.628792 14.464360  
#S  94  Pu6+
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.436506 32.289719 14.726737 15.012391  7.024677  3.502325   0.061815  0.606541  3.245363 13.616438  3.245364  
#S  95  Am
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 33.435162 23.657259 15.576339  3.027023 15.746100  3.541160   0.612785  3.792942 16.195778 117.757004  0.061755  
#S  96  Cm
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.804837 33.480801 24.150198  3.655563 15.499866  3.390840   0.058619  0.590160  3.674720 100.736191 15.408296  
#S  97  Bk
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 15.889072 33.625286 24.710381  3.707139 15.839268  3.213169   0.055503  0.569571  3.615472 97.694786 14.754303  
#S  98  Cf
#N 11
#L a1  a2  a3  a4  a5  c  b1  b2  b3  b4  b5
 33.794075 25.467693 16.048487  3.657525 16.008982  3.005326   0.550447  3.581973 14.357388 96.064972  0.052450