 aluminum,ref        Al        
 need abbrev         Al(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.758  need vol
         17.251065     -2.339753      2.806939   -240.216959
        1800.00
 argon,ref           Ar        
 need abbrev         Ar(1)     
 JA98                13.Aug.24 
               0.0           0.0    37.009       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 boron,ref           B         
 need abbrev         B(1)      
 JA98                13.Aug.24 
               0.0           0.0     1.394       0.0
          9.019346      0.059245     -0.696951    -96.024642
        1800.00
 barium,ref          Ba        
 need abbrev         Ba(1)     
 JA98                13.Aug.24 
               0.0           0.0    14.932       0.0
          6.853288     -0.149329     -6.211724    117.042555
        1800.00
 beryllium,ref       Be        
 need abbrev         Be(1)     
 JA98                13.Aug.24 
               0.0           0.0     2.256       0.0
         13.920459     -1.166265      1.664283   -198.208481
        1800.00
 bromine,ref         Br2       
 need abbrev         Br(2)     
 JA98                13.Aug.24 
               0.0           0.0    36.378       0.0
         51.869350     -9.580181     30.898438  -1143.136194
        1800.00
 carbon,ref          C         
 need abbrev         C(1)      
 JA98                13.Aug.24 
               0.0           0.0     1.372       0.0
         11.924491     -0.923428      1.129289   -188.163992
        1800.00
 calcium,ref         Ca        
 need abbrev         Ca(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.940       0.0
         50.764910    -11.838463     14.625062   -989.534647
        1800.00
 chlorine,ref        Cl2       
 need abbrev         Cl(2)     
 JA98                13.Aug.24 
               0.0           0.0    53.317       0.0
          9.329195      0.058742     -0.458261    -12.461824
        1800.00
 cobalt,ref          Co        
 need abbrev         Co(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.186       0.0
         47.898898     -8.512362     16.146041   -988.742958
        1800.00
 chromium,ref        Cr        
 need abbrev         Cr(1)     
 JA98                13.Aug.24 
               0.0           0.0     5.645       0.0
         -6.670157      6.842045     -3.737545    248.432279
        1800.00
 cesium,ref          Cs        
 need abbrev         Cs(1)     
 JA98                13.Aug.24 
               0.0           0.0    20.351       0.0
         -5.243940      1.326237     -5.880791    329.834872
        1800.00
 copper,ref          Cu        
 need abbrev         Cu(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.926       0.0
          9.061819      0.572469      1.444956    -85.851757
        1800.00
 deuterium,ref       D2        
 need abbrev         D(2)      
 JA98                13.Aug.24 
               0.0           0.0    34.646       0.0
          6.791117      1.094134      0.495876    -11.708108
        1800.00
 electron gas,ref    e-        
 need abbrev         e(1)-     
 JA98                13.Aug.24 
               0.0           0.0     5.014       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 fluorine,ref        F2        
 need abbrev         F(2)      
 JA98                13.Aug.24 
               0.0           0.0    48.468       0.0
         10.683425     -0.089562     -0.009462    -54.804105
        1800.00
 iron,ref            Fe        
 need abbrev         Fe(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.530       0.0
         73.936424    -17.654064     20.306589  -1475.397808
        1800.00
 gallium,ref         Ga        
 need abbrev         Ga(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.761       0.0
          5.120722      0.300847     -0.548062     30.794780
        1800.00
 hydrogen,ref        H2        
 need abbrev         H(2)      
 JA98                13.Aug.24 
               0.0           0.0    31.233       0.0
          4.011598      1.517724     -0.723508     56.038411
        1800.00
 helium,ref          He        
 need abbrev         He(1)     
 JA98                13.Aug.24 
               0.0           0.0    30.151       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 hafnium,ref         Hf        
 need abbrev         Hf(1)     
 JA98                13.Aug.24 
               0.0           0.0    10.411       0.0
          6.884251      1.539185      0.246957    -25.516506
        1800.00
 mercury,ref         Hg        
 need abbrev         Hg(1)     
 JA98                13.Aug.24 
               0.0           0.0    18.171       0.0
         -7.680860      3.050351     -4.348845    316.872651
        1800.00
 iodine,ref          I2        
 need abbrev         I(2)      
 JA98                13.Aug.24 
               0.0           0.0    27.759       0.0
        -57.572152     17.659170    -22.992971   1596.646116
        1800.00
 potassium,ref       K         
 need abbrev         K(1)      
 JA98                13.Aug.24 
               0.0           0.0    15.457       0.0
         -1.911164      0.308551     -5.507357    262.243635
        1800.00
 krypton,ref         Kr        
 need abbrev         Kr(1)     
 JA98                13.Aug.24 
               0.0           0.0    39.217       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 lithium,ref         Li        
 need abbrev         Li(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.951       0.0
         14.621043     -3.314538      0.050837   -133.635685
        1800.00
 magnesium,ref       Mg        
 need abbrev         Mg(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.809       0.0
         42.901605    -11.454486     10.500982   -781.631059
        1800.00
 manganese,ref       Mn        
 need abbrev         Mn(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.651       0.0
          6.456804      2.980860     -0.214718    -14.049486
        1800.00
 molybdenum,ref      Mo        
 need abbrev         Mo(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.837       0.0
          1.661734      2.488997     -1.594282     87.955630
        1800.00
 nitrogen,ref        N2        
 need abbrev         N(2)      
 JA98                13.Aug.24 
               0.0           0.0    45.796       0.0
          9.804247      0.273477      1.333387    -75.985807
        1800.00
 sodium,ref          Na        
 need abbrev         Na(1)     
 JA98                13.Aug.24 
               0.0           0.0    12.298       0.0
          2.776949     -0.947279     -4.221482    155.574271
        1800.00
 niobium,ref         Nb        
 need abbrev         Nb(1)     
 JA98                13.Aug.24 
               0.0           0.0     8.715       0.0
          4.432135      1.368794     -0.578752     29.470706
        1800.00
 neon,ref            Ne        
 need abbrev         Ne(1)     
 JA98                13.Aug.24 
               0.0           0.0    34.973       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 nickel,ref          Ni        
 need abbrev         Ni(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.139       0.0
         -9.545626      5.197958     -9.040733    417.503558
        1800.00
 oxygen,ref          O2        
 need abbrev         O(2)      
 JA98                13.Aug.24 
               0.0           0.0    49.031       0.0
         11.833565     -0.256568      1.295832   -106.915934
        1800.00
 phosphorus,ref      P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
               0.0           0.0     9.818       0.0
          6.080610     -1.753481     -2.520101     52.014163
        1800.00
 lead,ref            Pb        
 need abbrev         Pb(1)     
 JA98                13.Aug.24 
               0.0           0.0    15.484       0.0
          6.734584     -0.175091     -1.262746     19.040206
        1800.00
 rubidium,ref        Rb        
 need abbrev         Rb(1)     
 JA98                13.Aug.24 
               0.0           0.0    18.350       0.0
         -6.248418      1.535593     -6.666407    357.297177
        1800.00
 radon,ref           Rn        
 need abbrev         Rn(1)     
 JA98                13.Aug.24 
               0.0           0.0    42.121       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 sulfur,ref          S         
 need abbrev         S(1)      
 JA98                13.Aug.24 
               0.0           0.0     7.662       0.0
        -42.807682     10.083700    -27.060985   1288.085228
        1800.00
 silicon,ref         Si        
 need abbrev         Si(1)     
 JA98                13.Aug.24 
               0.0           0.0     4.498       0.0
          9.646641     -0.428869      0.560353    -92.320165
        1800.00
 strontium,ref       Sr        
 need abbrev         Sr(1)     
 JA98                13.Aug.24 
               0.0           0.0    13.311       0.0
         45.588805    -10.156016     14.160203   -894.361014
        1800.00
 tantalum,ref        Ta        
 need abbrev         Ta(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.912       0.0
          6.793301      0.426116      0.067537    -16.445230
        1800.00
 titanium,ref        Ti        
 need abbrev         Ti(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.352       0.0
          6.486477      0.962003     -0.669828     -0.046719
        1800.00
 vanadium,ref        V         
 need abbrev         V(1)      
 JA98                13.Aug.24 
               0.0           0.0     6.916       0.0
          0.376933      3.391180     -1.818966    113.994982
        1800.00
 tungsten,ref        W         
 need abbrev         W(1)      
 JA98                13.Aug.24 
               0.0           0.0     7.806       0.0
          5.046914      1.207522     -0.219408     11.192457
        1800.00
 xenon,ref           Xe        
 need abbrev         Xe(1)     
 JA98                13.Aug.24 
               0.0           0.0    40.555       0.0
          4.967973      0.000000      0.000000      0.000000
        1800.00
 zinc,ref            Zn        
 need abbrev         Zn(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.971       0.0
         17.531957     -4.981648      0.533931   -184.701349
        1800.00
 zirconium,ref       Zr        
 need abbrev         Zr(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.290       0.0
         10.510207     -0.494855      1.025572    -95.055240
        1800.00
