 aluminum,l          Al        
 need abbrev         Al(1)     
 JA98                13.Aug.24 
            1721.1        2524.4     9.452  need vol
         16.230521     -2.097552      2.324527   -214.449479
        1800.00
 aluminum bromid,l   AlBr3     
 need abbrev         Al(1)Br(3)
 JA98                13.Aug.24 
         -116262.4     -119832.9    49.350       0.0
         29.867352      0.000000     -0.000000      0.000000
        1500.00
 aluminum chlori,l   AlCl3     
 need abbrev         Al(1)Cl(3)
 JA98                13.Aug.24 
         -147744.0     -161282.3    41.326       0.0
         30.000000      0.000000      0.000000      0.000000
        1500.00
 aluminum fluori,l   AlF3      
 need abbrev         Al(1)F(3) 
 JA98                13.Aug.24 
         -323153.4     -340047.8    22.796       0.0
         18.305212      3.234246     -0.675130     82.908873
        1800.00
 lithium hexaflu,l   Li3AlF6   
 need abbrev         Al(1)F(6)Li(3)
 JA98                13.Aug.24 
         -758869.3     -792935.0    58.759       0.0
        292.280072    -48.242369     66.457903  -5247.039504
        1800.00
 cryolite,l          Na3AlF6   
 need abbrev         Al(1)F(6)Na(3)
 JA98                13.Aug.24 
         -739942.9     -775925.4    68.370       0.0
        387.313650    -67.798743    107.120837  -7515.706645
        1800.00
 aluminum iodide,l   AlI3      
 need abbrev         Al(1)I(3) 
 JA98                13.Aug.24 
          -70686.4      -69178.8    53.453       0.0
         29.000000      0.000000      0.000000      0.000000
        1800.00
 lithium aluminu,l   LiAlO2    
 need abbrev         Al(1)Li(1)O(2)
 JA98                13.Aug.24 
         -252727.5     -264756.0    22.397       0.0
         -4.707070     12.637257    -13.784563    562.273440
        1800.00
 beryllium alumi,l   BeAl2O4   
 need abbrev         Al(2)Be(1)O(4)
 JA98                13.Aug.24 
         -492238.5     -517170.7    30.212       0.0
        -68.042366     43.649062    -42.717964   2206.946123
        1800.00
 magnesium alumi,l   MgAl2O4   
 need abbrev         Al(2)Mg(1)O(4)
 JA98                13.Aug.24 
         -479881.9     -503472.0    40.266       0.0
         20.678667     13.099465    -13.636599    317.930389
        1800.00
 aluminum oxide,l    Al2O3     
 need abbrev         Al(2)O(3) 
 JA98                13.Aug.24 
         -366162.8     -387324.8    16.085       0.0
        -60.889503     38.768000    -30.462583   1766.853879
        1800.00
 chiolite,l          Na5Al3F14 
 need abbrev         Al(3)F(14)Na(5)
 JA98                13.Aug.24 
        -1704309.8    -1791923.5   127.181       0.0
       1111.204825   -211.932230    296.940017 -21993.634336
        1800.00
 beryllium alumi,l   BeAl6O10  
 need abbrev         Al(6)Be(1)O(10)
 JA98                13.Aug.24 
        -1203150.3    -1266566.0    75.264       0.0
        -95.919255     82.048822    -81.212623   3892.673584
        1800.00
 boron,l             B         
 need abbrev         B(1)      
 JA98                13.Aug.24 
           10217.3       11693.8     6.347       0.0
          5.412567      1.254863     -1.867384    -18.011161
        1800.00
 tribromoborane,l    BBr3      
 need abbrev         B(1)Br(3) 
 JA98                13.Aug.24 
          -56623.8      -57000.0    54.700       0.0
         30.599904      0.000000      0.000000      0.000000
        1000.00
 potassium tetra,l   KBF4      
 need abbrev         B(1)F(4)K(1)
 JA98                13.Aug.24 
         -423573.6     -446800.9    35.882       0.0
         39.941922     -0.000000      0.000000     -0.000000
        1500.00
 potassium borat,l   KBO2      
 need abbrev         B(1)K(1)O(2)
 JA98                13.Aug.24 
         -221060.5     -234400.1    21.141       0.0
        140.519691    -22.179461     42.303712  -2847.344266
        1800.00
 lithium borate,l    LiBO2     
 need abbrev         B(1)Li(1)O(2)
 JA98                13.Aug.24 
         -226631.5     -239067.6    15.666       0.0
        161.351282    -29.121244     45.672328  -3268.110551
        1800.00
 sodium borate,l     NaBO2     
 need abbrev         B(1)Na(1)O(2)
 JA98                13.Aug.24 
         -216660.4     -229450.0    19.827       0.0
        141.967616    -22.355777     43.304396  -2894.969721
        1800.00
 boron oxide,l       B2O3      
 need abbrev         B(2)O(3)  
 JA98                13.Aug.24 
         -282390.3     -299560.0    18.748       0.0
         78.223260    -13.017564      1.366177  -1061.365579
        1800.00
 titanium boride,l   TiB2      
 need abbrev         B(2)Ti(1) 
 JA98                13.Aug.24 
          -45933.3      -44940.0    13.472       0.0
         17.851776      3.403841     -3.303594    -79.078265
        1800.00
 zirconium borid,l   ZrB2      
 need abbrev         B(2)Zr(1) 
 JA98                13.Aug.24 
          -54748.3      -53736.1    15.474       0.0
         15.551774      2.034716     -4.273920      2.775667
        1800.00
 potassium borat,l   K2B4O7    
 need abbrev         B(4)K(2)O(7)
 JA98                13.Aug.24 
         -740952.0     -786099.9    56.673       0.0
        411.859257    -52.958705    117.231507  -8398.340308
        1800.00
 lithium borate,l    Li2B4O7   
 need abbrev         B(4)Li(2)O(7)
 JA98                13.Aug.24 
         -748334.1     -792952.9    41.438       0.0
        539.385776    -93.133193    164.070855 -11253.926619
        1800.00
 sodium borate,l     Na2B4O7   
 need abbrev         B(4)Na(2)O(7)
 JA98                13.Aug.24 
         -732068.1     -778359.9    46.519       0.0
        494.597956    -89.934870    136.910635  -9946.486313
        1800.00
 pentaborane,l       B5H9      
 need abbrev         B(5)H(9)  
 JA98                13.Aug.24 
           41088.2       10240.0    44.056       0.0
        176.463478    -21.441340     32.481753  -2935.880490
        1500.00
 potassium borat,l   K2B8O13   
 need abbrev         B(8)K(2)O(13)
 JA98                13.Aug.24 
        -1323448.6    -1409477.3    72.230       0.0
        518.372328    -88.763540     86.592815  -8853.754847
        1800.00
 decaborane,l        B10H14    
 need abbrev         B(10)H(14)
 JA98                13.Aug.24 
           50896.3       -1704.8    56.151       0.0
        209.102893     -3.990717      4.474076  -2745.710086
        1500.00
 barium,l            Ba        
 need abbrev         Ba(1)     
 JA98                13.Aug.24 
             917.1        1191.4    15.853       0.0
          8.912300     -1.908202     -9.674027    147.774884
        1800.00
 barium bromide,l    BaBr2     
 need abbrev         Ba(1)Br(2)
 JA98                13.Aug.24 
         -171486.6     -174520.3    41.135       0.0
         67.345405     -9.041595     17.374884  -1132.405418
        1800.00
 barium chloride,l   BaCl2     
 need abbrev         Ba(1)Cl(2)
 JA98                13.Aug.24 
         -188843.0     -198964.4    34.302       0.0
         78.815745    -10.956402     23.082062  -1437.161587
        1800.00
 barium fluoride,l   BaF2      
 need abbrev         Ba(1)F(2) 
 JA98                13.Aug.24 
         -269683.8     -279946.0    28.980       0.0
         59.294799     -7.241733     14.611488   -968.082062
        1800.00
 barium hydroxid,l   Ba(OH)2   
 need abbrev         Ba(1)H(2)O(2)
 JA98                13.Aug.24 
         -203668.3     -223260.8    29.483       0.0
         32.880333     -0.787527    -12.996405    101.012339
        1800.00
 barium iodide,l     BaI2      
 need abbrev         Ba(1)I(2) 
 JA98                13.Aug.24 
         -140389.6     -140029.6    43.898       0.0
         90.226326    -15.171004     22.080202  -1588.964113
        1800.00
 barium oxide,l      BaO       
 need abbrev         Ba(1)O(1) 
 JA98                13.Aug.24 
         -112620.7     -117501.7    23.077       0.0
          5.157963      4.076699     -3.212678    146.609585
        1800.00
 beryllium,l         Be        
 need abbrev         Be(1)     
 JA98                13.Aug.24 
            2986.9        3706.5     4.670       0.0
         11.179228     -0.657212      0.365450   -128.614013
        1800.00
 beryllium chlor,l   BeCl2     
 need abbrev         Be(1)Cl(2)
 JA98                13.Aug.24 
         -106538.7     -117426.6    19.055       0.0
         47.970766     -6.205738    -10.520241   -349.067625
        1800.00
 beryllium fluor,l   BeF2      
 need abbrev         Be(1)F(2) 
 JA98                13.Aug.24 
         -233421.8     -244275.3    14.321       0.0
         16.026789      6.645368     -2.184627    -62.702743
        1800.00
 lithium trifluo,l   LiBeF3    
 need abbrev         Be(1)F(3)Li(1)
 JA98                13.Aug.24 
         -374149.6     -390612.6    26.692       0.0
         34.823225     -0.941198    -23.136072    219.036820
        1800.00
 lithium tetrafl,l   Li2BeF4   
 need abbrev         Be(1)F(4)Li(2)
 JA98                13.Aug.24 
         -514122.4     -535628.1    40.964       0.0
        130.138834    -20.349897      4.941796  -1696.964055
        1800.00
 beryllium iodid,l   BeI2      
 need abbrev         Be(1)I(2) 
 JA98                13.Aug.24 
          -42876.7      -42633.1    30.832       0.0
         33.669539     -3.469817    -12.108252    -50.691188
        1500.00
 beryllium oxide,l   BeO       
 need abbrev         Be(1)O(1) 
 JA98                13.Aug.24 
         -124288.0     -129709.6     8.588       0.0
         16.642763      0.005688     -1.727656   -148.621817
        1800.00
 beryllium nitri,l   Be3N2     
 need abbrev         Be(3)N(2) 
 JA98                13.Aug.24 
         -103530.6     -116390.8     9.430       0.0
         32.000000      0.000000      0.000000      0.000000
        1800.00
 potassium bromi,l   KBr       
 need abbrev         Br(1)K(1) 
 JA98                13.Aug.24 
          -87473.0      -89983.7    25.225       0.0
         16.700048      0.000000      0.000000      0.000000
        1800.00
 lithium bromide,l   LiBr      
 need abbrev         Br(1)Li(1)
 JA98                13.Aug.24 
          -79370.9      -80838.0    20.221       0.0
         15.599904      0.000000      0.000000      0.000000
        1800.00
 sodium bromide,l    NaBr      
 need abbrev         Br(1)Na(1)
 JA98                13.Aug.24 
          -79452.0      -81104.9    24.943       0.0
         14.900096      0.000000     -0.000000      0.000000
        1800.00
 calcium bromide,l   CaBr2     
 need abbrev         Br(2)Ca(1)
 JA98                13.Aug.24 
         -155185.0     -158458.2    35.340       0.0
         95.151847    -15.454863     26.836022  -1770.765900
        1800.00
 iron bromide,l      FeBr2     
 need abbrev         Br(2)Fe(1)
 JA98                13.Aug.24 
          -49707.9      -50431.4    40.482       0.0
         25.500000      0.000000      0.000000      0.000000
        1800.00
 mercury bromide,l   HgBr2     
 need abbrev         Br(2)Hg(1)
 JA98                13.Aug.24 
          -34864.7      -37434.5    45.930       0.0
         24.400096     -0.000000      0.000000     -0.000000
        1500.00
 magnesium bromi,l   MgBr2     
 need abbrev         Br(2)Mg(1)
 JA98                13.Aug.24 
         -114760.5     -117210.3    35.970       0.0
         73.418201    -11.111313     17.597353  -1247.669695
        1800.00
 lead bromide,l      PbBr2     
 need abbrev         Br(2)Pb(1)
 JA98                13.Aug.24 
          -60840.8      -63913.0    41.558       0.0
         32.289824     -2.162204     -7.972121    -71.012143
        1800.00
 strontium bromi,l   SrBr2     
 need abbrev         Br(2)Sr(1)
 JA98                13.Aug.24 
         -164741.9     -168522.5    37.008       0.0
         95.343548    -16.415746     22.479057  -1682.741503
        1800.00
 zirconium bromi,l   ZrBr2     
 need abbrev         Br(2)Zr(1)
 JA98                13.Aug.24 
          -81316.9      -81819.6    43.983       0.0
         21.750000      0.000000      0.000000      0.000000
        1800.00
 tetrabromosilan,l   SiBr4     
 need abbrev         Br(4)Si(1)
 JA98                13.Aug.24 
         -106093.7     -109300.0    66.500       0.0
         35.000000      0.000000     -0.000000      0.000000
         800.00
 titanium bromid,l   TiBr4     
 need abbrev         Br(4)Ti(1)
 JA98                13.Aug.24 
         -141046.4     -144680.9    67.918       0.0
         36.299952      0.000000      0.000000      0.000000
        1000.00
 niobium bromide,l   NbBr5     
 need abbrev         Br(5)Nb(1)
 JA98                13.Aug.24 
         -120087.5     -130275.8    65.489       0.0
         57.566541    -42.730245    -49.952799    786.416214
         900.00
 tungsten bromid,l   WBr5      
 need abbrev         Br(5)W(1) 
 JA98                13.Aug.24 
          -62698.4      -71237.8    70.110       0.0
         43.500000      0.000000      0.000000      0.000000
        1000.00
 boron carbide,l     B4C       
 need abbrev         C(1)B(4)  
 JA98                13.Aug.24 
            9525.6       12400.8    16.593       0.0
         22.961379      5.474683    -10.444067     -1.142931
        1800.00
 beryllium carbi,l   Be2C      
 need abbrev         C(1)Be(2) 
 JA98                13.Aug.24 
           -5426.4       -3798.5    11.345       0.0
         38.811110     -0.026429     11.044027   -703.087401
        1800.00
 potassium cyani,l   KCN       
 need abbrev         C(1)K(1)N(1)
 JA98                13.Aug.24 
          -22619.0      -24892.0    32.103       0.0
         18.000000     -0.000000      0.000000     -0.000000
        1800.00
 potassium carbo,l   K2CO3     
 need abbrev         C(1)K(2)O(3)
 JA98                13.Aug.24 
         -250809.0     -270222.0    40.720       0.0
        175.025415    -28.625767     42.407876  -3221.765374
        1800.00
 lithium carbona,l   Li2CO3    
 need abbrev         C(1)Li(2)O(3)
 JA98                13.Aug.24 
         -263673.5     -280851.6    31.206       0.0
        138.060340    -23.951874     19.333122  -2247.155263
        1800.00
 sodium cyanide,l    NaCN      
 need abbrev         C(1)N(1)Na(1)
 JA98                13.Aug.24 
          -18212.5      -20171.6    29.997       0.0
         41.135081     -5.390393      7.833840   -551.781017
        1800.00
 sodium carbonat,l   Na2CO3    
 need abbrev         C(1)Na(2)O(3)
 JA98                13.Aug.24 
         -246417.5     -264941.4    37.386       0.0
        119.218996    -19.479575     11.416551  -1732.198255
        1800.00
 tantalum carbid,l   TaC       
 need abbrev         C(1)Ta(1) 
 JA98                13.Aug.24 
           -9616.6       -8115.4    16.319       0.0
         11.244557      1.625285     -1.830352    -15.267351
        1800.00
 titanium carbid,l   TiC       
 need abbrev         C(1)Ti(1) 
 JA98                13.Aug.24 
          -26669.5      -25892.4    11.329       0.0
          8.541766      2.000090     -4.501474     68.310831
        1800.00
 zirconium carbi,l   ZrC       
 need abbrev         C(1)Zr(1) 
 JA98                13.Aug.24 
          -29051.1      -28412.3    12.805       0.0
         15.690678     -0.089560     -1.570700    -83.802428
        1800.00
 nickel carbonyl,l   Ni(CO)4   
 need abbrev         C(4)Ni(1)O(4)
 JA98                13.Aug.24 
         -140769.6     -151000.0    76.377       0.0
         44.758004     13.158764      0.027608     -1.977409
         700.00
 iron carbonyl,l     Fe(CO)5   
 need abbrev         C(5)Fe(1)O(5)
 JA98                13.Aug.24 
         -166581.0     -183099.9    80.564       0.0
         55.875956      0.000000      0.000000      0.000000
         700.00
 calcium,l           Ca        
 need abbrev         Ca(1)     
 JA98                13.Aug.24 
            1581.7        1861.4    10.877       0.0
          8.365201      0.000000      0.000000      0.000000
        1800.00
 calcium chlorid,l   CaCl2     
 need abbrev         Ca(1)Cl(2)
 JA98                13.Aug.24 
         -174979.7     -185012.9    29.605       0.0
         76.173659    -11.791259     19.878502  -1336.987019
        1800.00
 calcium fluorid,l   CaF2      
 need abbrev         Ca(1)F(2) 
 JA98                13.Aug.24 
         -272659.2     -283476.8    22.125       0.0
         49.075933     -4.267664     10.705041   -746.424696
        1800.00
 calcium iodide,l    CaI2      
 need abbrev         Ca(1)I(2) 
 JA98                13.Aug.24 
         -121055.0     -119543.5    42.768       0.0
         69.370589    -10.311416     16.666691  -1148.312256
        1800.00
 calcium oxide,l     CaO       
 need abbrev         Ca(1)O(1) 
 JA98                13.Aug.24 
         -127374.5     -133206.3    14.895       0.0
         12.526341      0.876822     -1.801134    -12.011849
        1800.00
 cesium chloride,l   CsCl      
 need abbrev         Cl(1)Cs(1)
 JA98                13.Aug.24 
          -97072.2     -103840.3    24.309       0.0
         18.500000      0.000000      0.000000      0.000000
        1800.00
 copper chloride,l   CuCl      
 need abbrev         Cl(1)Cu(1)
 JA98                13.Aug.24 
          -27721.6      -31352.3    22.407       0.0
         16.000000      0.000000      0.000000      0.000000
        1800.00
 iodine chloride,l   ICl       
 need abbrev         Cl(1)I(1) 
 JA98                13.Aug.24 
           -3336.0       -5719.2    32.545       0.0
         29.181840    -10.540612      0.771549    -38.631260
        1000.00
 potassium chlor,l   KCl       
 need abbrev         Cl(1)K(1) 
 JA98                13.Aug.24 
          -94428.8     -100810.5    20.712       0.0
         17.590105      0.000000      0.000000      0.000000
        1800.00
 lithium chlorid,l   LiCl      
 need abbrev         Cl(1)Li(1)
 JA98                13.Aug.24 
          -88961.3      -93392.7    18.746       0.0
         37.037373     -7.428303      2.449816   -453.961104
        1800.00
 lithium perchlo,l   LiClO4    
 need abbrev         Cl(1)Li(1)O(4)
 JA98                13.Aug.24 
          -58120.9      -85648.9    39.343       0.0
         38.500000      0.000000     -0.000000      0.000000
        1500.00
 sodium chloride,l   NaCl      
 need abbrev         Cl(1)Na(1)
 JA98                13.Aug.24 
          -87396.5      -92237.8    22.719       0.0
         55.364733     -9.761202     13.906940   -965.570281
        1800.00
 cobalt chloride,l   CoCl2     
 need abbrev         Cl(2)Co(1)
 JA98                13.Aug.24 
          -57473.5      -64893.4    35.617       0.0
         54.269190     -7.073143     10.720299   -783.415746
        1800.00
 iron chloride,l     FeCl2     
 need abbrev         Cl(2)Fe(1)
 JA98                13.Aug.24 
          -66535.1      -74411.1    33.431       0.0
         24.419933      0.000000      0.000000      0.000000
        1800.00
 mercury chlorid,l   HgCl2     
 need abbrev         Cl(2)Hg(1)
 JA98                13.Aug.24 
          -41367.1      -50961.3    39.310       0.0
         24.400096      0.000000     -0.000000      0.000000
        1500.00
 magnesium chlor,l   MgCl2     
 need abbrev         Cl(2)Mg(1)
 JA98                13.Aug.24 
         -134782.3     -143780.4    30.946       0.0
         44.860887     -5.754484      5.275079   -554.007084
        1800.00
 nickel chloride,l   NiCl2     
 need abbrev         Cl(2)Ni(1)
 JA98                13.Aug.24 
          -48604.7      -55811.9    36.283       0.0
         57.900036     -6.595677     14.144534   -940.207656
        1800.00
 lead chloride,l     PbCl2     
 need abbrev         Cl(2)Pb(1)
 JA98                13.Aug.24 
          -72696.0      -82278.0    36.663       0.0
         62.286525     -9.406015      6.147541   -834.613168
        1800.00
 sulfur chloride,l   SCl2      
 need abbrev         Cl(2)S(1) 
 JA98                13.Aug.24 
           -6808.1      -11900.1    43.900       0.0
         21.750000     -0.000000      0.000000     -0.000000
         800.00
 sulfur chloride,l   ClSSCl    
 need abbrev         Cl(2)S(2) 
 JA98                13.Aug.24 
           -9386.0      -13900.1    53.500       0.0
         29.706023     -0.000000      0.000000     -0.000000
        1000.00
 strontium chlor,l   SrCl2     
 need abbrev         Cl(2)Sr(1)
 JA98                13.Aug.24 
         -182296.8     -192483.5    32.462       0.0
         66.866785     -9.172485     16.166252  -1106.448077
        1800.00
 zirconium chlor,l   ZrCl2     
 need abbrev         Cl(2)Zr(1)
 JA98                13.Aug.24 
          -88435.7      -98373.3    29.277       0.0
         21.750000      0.000000      0.000000      0.000000
        1800.00
 iron chloride,l     FeCl3     
 need abbrev         Cl(3)Fe(1)
 JA98                13.Aug.24 
          -75221.8      -86714.9    47.958       0.0
         32.000000      0.000000     -0.000000      0.000000
        1500.00
 molybdenum chlo,l   MoCl4     
 need abbrev         Cl(4)Mo(1)
 JA98                13.Aug.24 
          -94285.4     -110620.7    58.682       0.0
         35.000000     -0.000000      0.000000     -0.000000
        1500.00
 tungsten chlori,l   OWCl4     
 need abbrev         Cl(4)O(1)W(1)
 JA98                13.Aug.24 
         -127349.9     -150710.6    60.603       0.0
         43.500000     -0.000000      0.000000     -0.000000
        1000.00
 titanium chlori,l   TiCl4     
 need abbrev         Cl(4)Ti(1)
 JA98                13.Aug.24 
         -176199.6     -192200.0    60.320       0.0
         33.897113      2.228592     -0.067055      3.770073
        1000.00
 molybdenum chlo,l   MoCl5     
 need abbrev         Cl(5)Mo(1)
 JA98                13.Aug.24 
          -99652.0     -121920.2    65.441       0.0
         42.000000      0.000000     -0.000000      0.000000
        1200.00
 niobium chlorid,l   NbCl5     
 need abbrev         Cl(5)Nb(1)
 JA98                13.Aug.24 
         -161092.7     -184836.0    62.373       0.0
        132.589237    -79.111560    -35.300901   -604.724169
         800.00
 tantalum chlori,l   TaCl5     
 need abbrev         Cl(5)Ta(1)
 JA98                13.Aug.24 
         -175824.3     -199413.7    64.086       0.0
        129.801048    -77.483051    -35.492723   -560.859547
         800.00
 tungsten chlori,l   WCl5      
 need abbrev         Cl(5)W(1) 
 JA98                13.Aug.24 
          -94039.7     -118400.3    59.392       0.0
         43.500000      0.000000     -0.000000      0.000000
        1500.00
 tungsten chlori,l   WCl6      
 need abbrev         Cl(6)W(1) 
 JA98                13.Aug.24 
         -106373.8     -136091.1    68.085       0.0
         48.000000      0.000000     -0.000000      0.000000
        1500.00
 cobalt,l            Co        
 need abbrev         Co(1)     
 JA98                13.Aug.24 
            3524.1        4303.1     9.799       0.0
         23.571270     -2.488391      5.854775   -403.030346
        1800.00
 cobalt fluoride,l   CoF2      
 need abbrev         Co(1)F(2) 
 JA98                13.Aug.24 
         -141963.9     -152411.8    20.611       0.0
         25.000000     -0.000000      0.000000     -0.000000
        1800.00
 chromium,l          Cr        
 need abbrev         Cr(1)     
 JA98                13.Aug.24 
            5333.7        6230.4     8.653       0.0
          9.582895      1.512345      1.578289   -105.700109
        1800.00
 chromium oxide,l    Cr2O3     
 need abbrev         Cr(2)O(3) 
 JA98                13.Aug.24 
         -227054.7     -243398.9    30.018       0.0
         12.542660      7.060346    -10.280946    365.276713
        1800.00
 cesium,l            Cs        
 need abbrev         Cs(1)     
 JA98                13.Aug.24 
               5.7         498.8    22.005       0.0
          7.095940      0.230182      0.465743      1.132896
        1500.00
 cesium fluoride,l   CsF       
 need abbrev         Cs(1)F(1) 
 JA98                13.Aug.24 
         -123110.4     -129983.0    21.534       0.0
         17.700048      0.000000      0.000000      0.000000
        1800.00
 cesium hydroxid,l   CsOH      
 need abbrev         Cs(1)H(1)O(1)
 JA98                13.Aug.24 
          -87441.4      -97029.2    28.325       0.0
         19.500000      0.000000      0.000000      0.000000
        1800.00
 cesium sulfate,l    Cs2SO4    
 need abbrev         Cs(2)O(4)S(1)
 JA98                13.Aug.24 
         -308546.4     -334641.3    58.903       0.0
        137.165931    -22.930791     19.556508  -2076.269533
        1800.00
 copper,l            Cu        
 need abbrev         Cu(1)     
 JA98                13.Aug.24 
            2231.4        2833.9     9.947       0.0
         15.308603     -1.229743      3.458168   -222.414089
        1800.00
 copper fluoride,l   CuF2      
 need abbrev         Cu(1)F(2) 
 JA98                13.Aug.24 
         -108521.3     -116599.9    29.299       0.0
         64.089000     -9.465917     11.615360  -1012.338889
        1800.00
 copper oxide,l      Cu2O      
 need abbrev         Cu(2)O(1) 
 JA98                13.Aug.24 
          -23992.4      -26767.4    31.060       0.0
         44.704238     -2.103294     10.739282   -707.098789
        1800.00
 potassium fluor,l   KF        
 need abbrev         F(1)K(1)  
 JA98                13.Aug.24 
         -125506.7     -132520.8    16.165       0.0
         17.200048     -0.000000      0.000000     -0.000000
        1800.00
 lithium fluorid,l   LiF       
 need abbrev         F(1)Li(1) 
 JA98                13.Aug.24 
         -136844.6     -143081.0    10.268       0.0
         15.340105      0.000000      0.000000      0.000000
        1800.00
 sodium fluoride,l   NaF       
 need abbrev         F(1)Na(1) 
 JA98                13.Aug.24 
         -124889.1     -130545.9    17.558       0.0
         54.875265     -8.687270     15.397107  -1004.290845
        1800.00
 iron fluoride,l     FeF2      
 need abbrev         F(2)Fe(1) 
 JA98                13.Aug.24 
         -151417.8     -161221.1    22.117       0.0
         23.500000     -0.000000      0.000000     -0.000000
        1800.00
 potassium fluor,l   K(HF2)    
 need abbrev         F(2)H(1)K(1)
 JA98                13.Aug.24 
         -204811.7     -219066.2    31.731       0.0
         -2.053001      6.200637    -19.365664    715.851180
        1800.00
 mercury fluorid,l   HgF2      
 need abbrev         F(2)Hg(1) 
 JA98                13.Aug.24 
          -86470.6      -96772.7    32.086       0.0
         68.276651    -10.754980     13.952579  -1086.906822
        1800.00
 magnesium fluor,l   MgF2      
 need abbrev         F(2)Mg(1) 
 JA98                13.Aug.24 
         -245931.4     -256299.2    21.503       0.0
         35.759285     -1.079635      5.227183   -456.530277
        1800.00
 lead fluoride,l     PbF2      
 need abbrev         F(2)Pb(1) 
 JA98                13.Aug.24 
         -148082.9     -157820.3    31.292       0.0
         99.409740    -18.330015     26.661822  -1829.951308
        1500.00
 strontium fluor,l   SrF2      
 need abbrev         F(2)Sr(1) 
 JA98                13.Aug.24 
         -269504.5     -280125.0    26.158       0.0
         35.446895     -0.495110      6.694162   -446.929640
        1800.00
 zirconium fluor,l   ZrF2      
 need abbrev         F(2)Zr(1) 
 JA98                13.Aug.24 
         -213902.5     -223936.7    24.103       0.0
         70.947480    -10.023367     18.509831  -1256.961229
        1800.00
 tungsten fluori,l   WF4O      
 need abbrev         F(4)O(1)W(1)
 JA98                13.Aug.24 
         -310075.3     -335864.0    42.762       0.0
         43.500000      0.000000     -0.000000      0.000000
        1000.00
 molybdenum fluo,l   MoF6      
 need abbrev         F(6)Mo(1) 
 JA98                13.Aug.24 
         -352096.1     -378980.9    62.068       0.0
         28.186062     41.575169     -0.000150      0.008137
        1000.00
 tungsten fluori,l   WF6       
 need abbrev         F(6)W(1)  
 JA98                13.Aug.24 
         -389949.6     -417870.0    59.564       0.0
         40.500000      0.000000      0.000000      0.000000
        1000.00
 iron,l              Fe        
 need abbrev         Fe(1)     
 JA98                13.Aug.24 
            2432.4        2962.5     8.309       0.0
         29.086589     -3.232705      7.408384   -523.175152
        1800.00
 iron iodide,l       FeI2      
 need abbrev         Fe(1)I(2) 
 JA98                13.Aug.24 
          -20683.6      -16980.4    46.709       0.0
         27.000000      0.000000     -0.000000      0.000000
        1800.00
 iron oxide,l        FeO       
 need abbrev         Fe(1)O(1) 
 JA98                13.Aug.24 
          -55757.4      -59639.6    18.025       0.0
         19.471484      1.228578      3.521578   -210.335030
        1800.00
 iron sulfide,l      FeS       
 need abbrev         Fe(1)S(1) 
 JA98                13.Aug.24 
          -18116.2      -16446.2    19.792       0.0
        -59.861490     18.790652    -35.611854   1853.494576
        1800.00
 gallium,l           Ga        
 need abbrev         Ga(1)     
 JA98                13.Aug.24 
              21.0        1333.2    14.162       0.0
          7.238523     -0.179820      0.998434    -25.567170
        1800.00
 potassium hydro,l   KOH       
 need abbrev         H(1)K(1)O(1)
 JA98                13.Aug.24 
          -88949.8      -98638.9    23.092       0.0
         19.863050      0.000000      0.000000      0.000000
        1800.00
 lithium hydride,l   LiH       
 need abbrev         H(1)Li(1) 
 JA98                13.Aug.24 
          -13429.5      -18574.1     5.312       0.0
         14.900096      0.000000     -0.000000      0.000000
        1800.00
 lithium hydroxi,l   LiOH      
 need abbrev         H(1)Li(1)O(1)
 JA98                13.Aug.24 
         -102769.8     -113389.6    11.465       0.0
         20.814054      0.000000      0.000000      0.000000
        1800.00
 sodium hydroxid,l   NaOH      
 need abbrev         H(1)Na(1)O(1)
 JA98                13.Aug.24 
          -89412.0      -99636.2    18.138       0.0
         21.320196     -1.371715     -0.035028      2.023006
        1800.00
 water,l             H2O       
 need abbrev         H(2)O(1)  
 JA98                13.Aug.24 
          -56678.1      -68315.0    16.718       0.0
       -130.043134    102.494359    -17.145712   2361.604879
         500.00
 strontium hydro,l   Sr(OH)2   
 need abbrev         H(2)O(2)Sr(1)
 JA98                13.Aug.24 
         -208650.3     -228801.1    25.989       0.0
        102.886005    -17.650966      5.097526  -1489.492921
        1800.00
 phosphoric acid,l   H3PO4     
 need abbrev         H(3)O(4)P(1)
 JA98                13.Aug.24 
         -268546.1     -303934.8    36.036       0.0
         13.198332     72.000697     -0.000265      0.032227
        1000.00
 hydrazine,l         N2H4      
 need abbrev         H(4)N(2)  
 JA98                13.Aug.24 
           35717.0       12099.9    29.050       0.0
         21.306310     20.320544      1.546045    -94.699366
         800.00
 hafnium,l           Hf        
 need abbrev         Hf(1)     
 JA98                13.Aug.24 
            9022.0       11044.2    17.194       0.0
          3.583495      2.206869     -0.000036      0.003421
        1800.00
 mercury iodide,l    HgI2      
 need abbrev         Hg(1)I(2) 
 JA98                13.Aug.24 
          -22536.1      -20862.1    51.545       0.0
         -6.810555      7.873551    -20.535745    796.952790
        1500.00
 mercury iodide,l    Hg2I2     
 need abbrev         Hg(2)I(2) 
 JA98                13.Aug.24 
          -23918.0      -23557.4    65.310       0.0
         32.599904      0.000000     -0.000000      0.000000
        1500.00
 potassium iodid,l   KI        
 need abbrev         I(1)K(1)  
 JA98                13.Aug.24 
          -74156.1      -74772.0    27.270       0.0
         17.299952      0.000000      0.000000      0.000000
        1800.00
 lithium iodide,l    LiI       
 need abbrev         I(1)Li(1) 
 JA98                13.Aug.24 
          -62563.1      -61746.9    23.569       0.0
         15.099904     -0.000000      0.000000     -0.000000
        1800.00
 sodium iodide,l     NaI       
 need abbrev         I(1)Na(1) 
 JA98                13.Aug.24 
          -64497.1      -63696.9    28.861       0.0
         32.964323     -4.314911      5.022017   -429.691942
        1800.00
 iodine,l            I2        
 need abbrev         I(2)      
 JA98                13.Aug.24 
             794.0        3232.1    35.936       0.0
         19.280354      0.000000      0.000000      0.000000
        1000.00
 magnesium iodid,l   MgI2      
 need abbrev         I(2)Mg(1) 
 JA98                13.Aug.24 
          -82293.5      -81800.2    37.222       0.0
         58.817702     -8.615500      9.883932   -855.582207
        1800.00
 lead iodide,l       PbI2      
 need abbrev         I(2)Pb(1) 
 JA98                13.Aug.24 
          -38967.0      -37686.2    47.539       0.0
         53.499577     -8.894319      0.453132   -573.749559
        1500.00
 strontium iodid,l   SrI2      
 need abbrev         I(2)Sr(1) 
 JA98                13.Aug.24 
         -131196.9     -131153.9    41.214       0.0
         39.837864     -4.065911     -3.877087   -277.231096
        1800.00
 zirconium iodid,l   ZrI2      
 need abbrev         I(2)Zr(1) 
 JA98                13.Aug.24 
          -58204.8      -55984.5    44.495       0.0
        -13.449589     26.772002     -1.103966    508.103079
        1800.00
 tetraiodosilane,l   SiI4      
 need abbrev         I(4)Si(1) 
 JA98                13.Aug.24 
          -44810.0      -41731.1    70.342       0.0
         35.247547      9.870815     -0.000499      0.051609
         700.00
 titanium iodide,l   TiI4      
 need abbrev         I(4)Ti(1) 
 JA98                13.Aug.24 
          -86726.3      -83249.0    74.532       0.0
         37.400096      0.000000      0.000000      0.000000
        1500.00
 potassium,l         K         
 need abbrev         K(1)      
 JA98                13.Aug.24 
              62.9         542.5    17.066       0.0
         -3.163920      4.165484     -1.906109    204.745919
        1500.00
 potassium silic,l   K2SiO3    
 need abbrev         K(2)O(3)Si(1)
 JA98                13.Aug.24 
         -338983.3     -358339.1    44.038       0.0
         88.629457    -11.462277      5.918200  -1100.054603
        1800.00
 potassium sulfa,l   K2SO4     
 need abbrev         K(2)O(4)S(1)
 JA98                13.Aug.24 
         -307427.8     -333094.6    50.551       0.0
        116.614409    -17.186143     14.160658  -1660.955931
        1800.00
 potassium sulfi,l   K2S       
 need abbrev         K(2)S(1)  
 JA98                13.Aug.24 
          -81375.7      -82816.9    33.741       0.0
         61.150944     -8.043391     14.366664   -982.834385
        1800.00
 lithium,l           Li        
 need abbrev         Li(1)     
 JA98                13.Aug.24 
             223.0         568.8     8.111       0.0
          5.472807      0.258660     -0.169028     36.876209
        1800.00
 lithium oxide,l     Li2O      
 need abbrev         Li(2)O(1) 
 JA98                13.Aug.24 
         -124699.8     -132229.2    13.165       0.0
         73.549446    -12.387276     11.343687  -1205.384402
        1800.00
 lithium silicat,l   Li2SiO3   
 need abbrev         Li(2)O(3)Si(1)
 JA98                13.Aug.24 
         -367870.7     -388439.5    22.960       0.0
         74.353348     -5.896086      8.601603  -1001.065383
        1800.00
 lithium titaniu,l   Li2TiO3   
 need abbrev         Li(2)O(3)Ti(1)
 JA98                13.Aug.24 
         -356721.6     -374464.6    35.291       0.0
         10.976246     17.702556     -8.679716    345.666766
        1800.00
 lithium sulfate,l   Li2SO4    
 need abbrev         Li(2)O(4)S(1)
 JA98                13.Aug.24 
         -309770.6     -334439.8    36.886       0.0
        123.755958    -19.133579     11.599498  -1784.415712
        1800.00
 lithium silicat,l   Li2Si2O5  
 need abbrev         Li(2)O(5)Si(2)
 JA98                13.Aug.24 
         -568682.4     -600637.7    38.299       0.0
        134.849980    -17.164150     12.276809  -1904.657441
        1800.00
 magnesium,l         Mg        
 need abbrev         Mg(1)     
 JA98                13.Aug.24 
            1017.2        1144.8     8.237       0.0
          8.200048     -0.000000      0.000000     -0.000000
        1800.00
 magnesium oxide,l   MgO       
 need abbrev         Mg(1)O(1) 
 JA98                13.Aug.24 
         -121105.9     -127296.6    11.560       0.0
         13.126188      0.531355     -1.937278    -38.700341
        1800.00
 magnesium silic,l   MgSiO3    
 need abbrev         Mg(1)O(3)Si(1)
 JA98                13.Aug.24 
         -338275.8     -357280.6    22.112       0.0
         90.028487    -10.353699     20.634271  -1557.246527
        1800.00
 magnesium titan,l   MgTiO3    
 need abbrev         Mg(1)O(3)Ti(1)
 JA98                13.Aug.24 
         -339409.9     -357942.4    26.549       0.0
          2.382341     15.192842    -11.371475    480.429352
        1800.00
 magnesium sulfa,l   MgSO4     
 need abbrev         Mg(1)O(4)S(1)
 JA98                13.Aug.24 
         -271369.0     -297941.4    24.408       0.0
         96.920803    -12.995159     17.364449  -1543.707426
        1800.00
 magnesium titan,l   MgTi2O5   
 need abbrev         Mg(1)O(5)Ti(2)
 JA98                13.Aug.24 
         -540220.4     -569385.0    47.271       0.0
         13.604057     22.588300    -11.676399    483.226899
        1800.00
 magnesium silic,l   Mg2SiO4   
 need abbrev         Mg(2)O(4)Si(1)
 JA98                13.Aug.24 
         -478762.2     -505229.0    29.408       0.0
         25.324012     11.419946    -10.334835    193.722171
        1800.00
 magnesium titan,l   Mg2TiO4   
 need abbrev         Mg(2)O(4)Ti(1)
 JA98                13.Aug.24 
         -465284.9     -489084.4    41.207       0.0
          6.831482     20.083392    -14.386420    587.809459
        1800.00
 magnesium silic,l   Mg2Si     
 need abbrev         Mg(2)Si(1)
 JA98                13.Aug.24 
           -3596.6        -795.2    29.511       0.0
         22.500000      0.000000     -0.000000      0.000000
        1800.00
 magnesium phosp,l   Mg3P2O8   
 need abbrev         Mg(3)O(8)P(2)
 JA98                13.Aug.24 
         -820963.2     -875523.4    56.191       0.0
        112.750644     25.573995     24.761042  -1668.524928
        1800.00
 manganese,l         Mn        
 need abbrev         Mn(1)     
 JA98                13.Aug.24 
            3074.3        3893.2    10.397       0.0
         18.205993     -0.137323      4.119715   -282.626456
        1800.00
 molybdenum,l        Mo        
 need abbrev         Mo(1)     
 JA98                13.Aug.24 
            8898.9        9935.0    10.312       0.0
          1.953959      2.415899     -1.471202     80.736913
        1800.00
 molybdenum oxid,l   MoO3      
 need abbrev         Mo(1)O(3) 
 JA98                13.Aug.24 
         -152418.5     -168194.8    27.470       0.0
        104.883162    -17.174572     25.991412  -1914.660926
        1800.00
 molybdenum sulf,l   Mo2S3     
 need abbrev         Mo(2)S(3) 
 JA98                13.Aug.24 
          -66584.6      -64604.2    43.301       0.0
         50.602025      0.036855      5.776884   -532.794255
        1800.00
 titanium nitrid,l   TiN       
 need abbrev         N(1)Ti(1) 
 JA98                13.Aug.24 
          -58269.6      -63530.8    12.603       0.0
          6.388202      2.798501     -4.663304    118.661728
        1800.00
 zirconium nitri,l   ZrN       
 need abbrev         N(1)Zr(1) 
 JA98                13.Aug.24 
          -64336.3      -69490.7    14.900       0.0
         11.103782      1.679061     -1.718108     -0.093990
        1800.00
 nitrogen oxide,l    N2O4      
 need abbrev         N(2)O(4)  
 JA98                13.Aug.24 
               nan      999999.0    50.000       0.0
         21.009014     43.128292     -0.038312      4.072471
         500.00
 sodium,l            Na        
 need abbrev         Na(1)     
 JA98                13.Aug.24 
             118.3         575.0    13.829       0.0
         -3.669619      3.781811     -2.311677    223.301012
        1600.00
 sodium oxide,l      Na2O      
 need abbrev         Na(2)O(1) 
 JA98                13.Aug.24 
          -80996.7      -89111.6    21.895       0.0
         25.000000      0.000000     -0.000000      0.000000
        1800.00
 sodium silicate,l   Na2SiO3   
 need abbrev         Na(2)O(3)Si(1)
 JA98                13.Aug.24 
         -341229.4     -361107.8    35.969       0.0
         94.300625    -11.362159     13.259996  -1362.955090
        1800.00
 sodium sulfate,l    Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -298239.0     -324183.8    43.301       0.0
         95.362357    -11.178950     15.751795  -1235.382530
        1800.00
 sodium silicate,l   Na2Si2O5  
 need abbrev         Na(2)O(5)Si(2)
 JA98                13.Aug.24 
         -549696.7     -582811.9    45.102       0.0
        168.460020    -27.200172     20.920298  -2531.383139
        1800.00
 sodium sulfide,l    Na2S      
 need abbrev         Na(2)S(1) 
 JA98                13.Aug.24 
          -76902.7      -77423.5    30.511       0.0
         33.134161     -2.601969      3.425399   -283.328843
        1800.00
 sodium sulfide,l    Na2S2     
 need abbrev         Na(2)S(2) 
 JA98                13.Aug.24 
          -91230.2      -90849.4    41.196       0.0
         55.011076     -7.740966      2.095110   -546.765407
        1500.00
 niobium,l           Nb        
 need abbrev         Nb(1)     
 JA98                13.Aug.24 
            6313.3        7085.8    11.305       0.0
          2.322570      2.067833     -1.258533     75.098679
        1800.00
 niobium oxide,l     NbO       
 need abbrev         Nb(1)O(1) 
 JA98                13.Aug.24 
          -76506.9      -80483.5    19.893       0.0
          0.513553      5.501099     -3.975826    209.037636
        1800.00
 niobium oxide,l     NbO2      
 need abbrev         Nb(1)O(2) 
 JA98                13.Aug.24 
         -159300.7     -169902.5    22.188       0.0
         56.597963     -6.725366     12.549918   -946.317910
        1800.00
 niobium oxide,l     Nb2O5     
 need abbrev         Nb(2)O(5) 
 JA98                13.Aug.24 
         -408065.7     -437589.1    40.987       0.0
         19.194082     21.050021     -2.413670    156.972444
        1800.00
 nickel,l            Ni        
 need abbrev         Ni(1)     
 JA98                13.Aug.24 
            3349.9        4177.6     9.916       0.0
          7.027392      1.927861      0.815189    -38.505571
        1800.00
 nickel sulfide,l    NiS       
 need abbrev         Ni(1)S(1) 
 JA98                13.Aug.24 
          -15680.9      -14931.6    17.314       0.0
         60.426985     -8.543543     18.330069  -1155.464058
        1800.00
 nickel sulfide,l    NiS2      
 need abbrev         Ni(1)S(2) 
 JA98                13.Aug.24 
          -17936.9      -15910.1    29.261       0.0
         45.471949     -4.739529      9.706804   -655.705933
        1800.00
 nickel sulfide,l    Ni3S2     
 need abbrev         Ni(3)S(2) 
 JA98                13.Aug.24 
          -38832.0      -34399.1    51.609       0.0
        158.700564    -25.928209     40.682281  -2905.694972
        1800.00
 lead oxide,l        PbO       
 need abbrev         O(1)Pb(1) 
 JA98                13.Aug.24 
          -41641.5      -48338.7    17.537       0.0
         15.534654      0.000130     -0.000956      0.021832
        1800.00
 strontium oxide,l   SrO       
 need abbrev         O(1)Sr(1) 
 JA98                13.Aug.24 
         -118118.8     -123635.8    19.323       0.0
         13.283300      1.307026     -0.688428    -35.391142
        1800.00
 titanium oxide,l    TiO       
 need abbrev         O(1)Ti(1) 
 JA98                13.Aug.24 
         -112838.4     -118054.3    14.374       0.0
         26.618728     -0.964610      4.078913   -367.440021
        1800.00
 vanadium oxide,l    VO        
 need abbrev         O(1)V(1)  
 JA98                13.Aug.24 
          -84202.7      -88647.5    16.524       0.0
         28.935795     -2.805627      4.374277   -380.916617
        1800.00
 silicon oxide,l     SiO2      
 need abbrev         O(2)Si(1) 
 JA98                13.Aug.24 
         -203196.7     -215741.2    11.455       0.0
          2.973928      6.599785     -7.690709    244.256007
        1800.00
 titanium oxide,l    TiO2      
 need abbrev         O(2)Ti(1) 
 JA98                13.Aug.24 
         -202028.9     -213684.3    17.291       0.0
        -25.436736     16.526093    -16.223221    893.805849
        1800.00
 zirconium oxide,l   ZrO2      
 need abbrev         O(2)Zr(1) 
 JA98                13.Aug.24 
         -232471.6     -244539.9    17.843       0.0
         33.787701     -4.058719      2.046826   -369.389259
        1800.00
 titanium oxide,l    Ti2O3     
 need abbrev         O(3)Ti(2) 
 JA98                13.Aug.24 
         -321767.0     -339019.8    30.384       0.0
         25.951258      4.314700    -14.065602    193.941513
        1800.00
 vanadium oxide,l    V2O3      
 need abbrev         O(3)V(2)  
 JA98                13.Aug.24 
         -246043.5     -261246.2    36.389       0.0
         20.665800      7.771949     -6.874613    170.405337
        1800.00
 tungsten oxide,l    WO3       
 need abbrev         O(3)W(1)  
 JA98                13.Aug.24 
         -171675.7     -188555.2    24.739       0.0
         59.739098     -2.609977     13.871825   -979.472349
        1800.00
 vanadium oxide,l    V2O4      
 need abbrev         O(4)V(2)  
 JA98                13.Aug.24 
         -297392.2     -318391.7    41.461       0.0
         10.079054     19.757979     -7.357943    366.918618
        1800.00
 tantalum oxide,l    Ta2O5     
 need abbrev         O(5)Ta(2) 
 JA98                13.Aug.24 
         -438362.1     -467775.1    43.750       0.0
        -34.282862     33.542638    -25.850686   1473.194970
        1800.00
 titanium oxide,l    Ti3O5     
 need abbrev         O(5)Ti(3) 
 JA98                13.Aug.24 
         -520539.9     -547098.2    55.556       0.0
         -1.916349     27.501508    -10.578867    813.894186
        1800.00
 vanadium oxide,l    V2O5      
 need abbrev         O(5)V(2)  
 JA98                13.Aug.24 
         -329415.4     -356407.5    45.879       0.0
         80.730214     -9.298154     -0.028878   -809.658204
        1800.00
 titanium oxide,l    Ti4O7     
 need abbrev         O(7)Ti(4) 
 JA98                13.Aug.24 
         -729458.9     -768650.8    69.566       0.0
         -0.086280     35.121065    -29.484709   1251.915914
        1800.00
 phosphorus,l        P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
               9.1         147.0    10.280       0.0
          6.292065     -0.000000      0.000000     -0.000000
        1800.00
 phosphorus sulf,l   P4S3      
 need abbrev         P(4)S(3)  
 JA98                13.Aug.24 
          -48964.9      -52768.6    49.497       0.0
         44.000000      0.000000      0.000000      0.000000
        1800.00
 lead,l              Pb        
 need abbrev         Pb(1)     
 JA98                13.Aug.24 
             530.1        1023.7    17.139       0.0
          3.546750      0.561864     -2.900064    101.739673
        1800.00
 lead sulfide,l      PbS       
 need abbrev         Pb(1)S(1) 
 JA98                13.Aug.24 
          -20373.3      -20091.8    24.091       0.0
         35.874705     -3.424016      9.808690   -585.332907
        1800.00
 rubidium,l          Rb        
 need abbrev         Rb(1)     
 JA98                13.Aug.24 
              24.4         522.0    20.020       0.0
         -3.187243      4.182525     -2.320460    211.848086
        1600.00
 sulfur,l            S         
 need abbrev         S(1)      
 JA98                13.Aug.24 
             103.3         443.1     8.801       0.0
        -49.841149     14.940805    -28.510816   1422.737379
        1500.00
 silicon sulfide,l   SiS2      
 need abbrev         S(2)Si(1) 
 JA98                13.Aug.24 
          -49581.3      -49456.0    20.241       0.0
         36.877415     -2.863514      6.585367   -428.569772
        1800.00
 silicon,l           Si        
 need abbrev         Si(1)     
 JA98                13.Aug.24 
            9757.6       11584.6    10.626       0.0
          6.500000     -0.000000      0.000000     -0.000000
        1800.00
 strontium,l         Sr        
 need abbrev         Sr(1)     
 JA98                13.Aug.24 
             559.3         217.7    12.166       0.0
          9.431883     -0.000000      0.000000     -0.000000
        1800.00
 tantalum,l          Ta        
 need abbrev         Ta(1)     
 JA98                13.Aug.24 
            6726.3        7360.2    12.038       0.0
          6.793301      0.426116      0.067537    -16.445230
        1800.00
 titanium,l          Ti        
 need abbrev         Ti(1)     
 JA98                13.Aug.24 
            2662.8        3262.9     9.364       0.0
        -26.943656     12.693332     -9.394527    693.442126
        1800.00
 vanadium,l          V         
 need abbrev         V(1)      
 JA98                13.Aug.24 
            3618.8        4131.9     8.637       0.0
        -16.484782      9.697351     -6.522755    462.503662
        1800.00
 tungsten,l          W         
 need abbrev         W(1)      
 JA98                13.Aug.24 
           10280.8       11208.4    10.917       0.0
          5.047423      1.207295     -0.219672     11.184977
        1800.00
 zinc,l              Zn        
 need abbrev         Zn(1)     
 JA98                13.Aug.24 
             911.3        1558.1    12.140       0.0
          7.372254     -0.138864     -2.110020     16.684389
        1800.00
 zirconium,l         Zr        
 need abbrev         Zr(1)     
 JA98                13.Aug.24 
            3537.0        4159.7    11.378       0.0
         -1.806766      4.858444     -1.737273    143.614290
        1800.00
