 aluminum,cr,l       Al        
 need abbrev         Al(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.758  need vol
         16.893122     -2.248673      2.669059   -231.478497
        1800.00
 aluminum bromid,cr,l AlBr3     
 need abbrev         Al(1)Br(3)
 JA98                13.Aug.24 
         -116757.9     -122200.0    43.073       0.0
         -6.985399      9.438781    -22.760695    931.104576
        1500.00
 aluminum chlori,cr,l AlCl3     
 need abbrev         Al(1)Cl(3)
 JA98                13.Aug.24 
         -150577.9     -168650.1    26.120       0.0
         37.092886     -3.247292     -8.729766    -83.638159
        1500.00
 aluminum fluori,cr,l AlF3      
 need abbrev         Al(1)F(3) 
 JA98                13.Aug.24 
         -342046.6     -361000.0    15.890       0.0
         18.288553      2.353734     -8.782432    149.928352
        1800.00
 lithium hexaflu,cr,l Li3AlF6   
 need abbrev         Al(1)F(6)Li(3)
 JA98                13.Aug.24 
         -770504.3     -808700.0    44.907       0.0
        159.878218     -6.861841     34.177606  -2536.840683
        1800.00
 cryolite,cr,l       Na3AlF6   
 need abbrev         Al(1)F(6)Na(3)
 JA98                13.Aug.24 
         -753386.2     -792760.0    56.995       0.0
         38.747046     33.931399      0.517536     46.504694
        1800.00
 aluminum iodide,cr,l AlI3      
 need abbrev         Al(1)I(3) 
 JA98                13.Aug.24 
          -71945.0      -72400.1    46.870       0.0
         21.907661      1.129471    -10.449525    224.506420
        1500.00
 lithium aluminu,cr,l LiAlO2    
 need abbrev         Al(1)Li(1)O(2)
 JA98                13.Aug.24 
         -269192.9     -284099.9    12.742       0.0
         22.087510      2.898366     -5.993553     -0.213628
        1800.00
 beryllium alumi,cr,l BeAl2O4   
 need abbrev         Al(2)Be(1)O(4)
 JA98                13.Aug.24 
         -520684.0     -549900.1    15.844       0.0
         44.335879      3.420988     -9.390975   -167.320926
        1800.00
 magnesium alumi,cr,l MgAl2O4   
 need abbrev         Al(2)Mg(1)O(4)
 JA98                13.Aug.24 
         -520224.9     -549500.0    21.198       0.0
         35.212802      8.469805     -8.703030     -3.530313
        1800.00
 aluminum oxide,cr,l Al2O3     
 need abbrev         Al(2)O(3) 
 JA98                13.Aug.24 
         -378172.8     -400500.0    12.177       0.0
         36.401745      0.530619     -5.025763   -207.974630
        1800.00
 chiolite,cr,l       Na5Al3F14 
 need abbrev         Al(3)F(14)Na(5)
 JA98                13.Aug.24 
        -1720924.5    -1812000.0   115.570       0.0
        430.673556      9.704075    161.334079  -8662.647537
        1800.00
 beryllium alumi,cr,l BeAl6O10  
 need abbrev         Al(6)Be(1)O(10)
 JA98                13.Aug.24 
        -1270854.2    -1344200.0    41.958       0.0
        113.715379      6.066647    -19.980076   -514.217125
        1800.00
 boron,cr,l          B         
 need abbrev         B(1)      
 JA98                13.Aug.24 
               0.0           0.0     1.394       0.0
          9.272141     -0.005245     -0.598695   -102.183868
        1800.00
 potassium tetra,cr,l KBF4      
 need abbrev         B(1)F(4)K(1)
 JA98                13.Aug.24 
         -426615.2     -451000.0    32.000       0.0
         60.664954     -3.927440      0.395993   -561.165466
        1500.00
 potassium borat,cr,l KBO2      
 need abbrev         B(1)K(1)O(2)
 JA98                13.Aug.24 
         -223856.6     -237800.0    19.116       0.0
         14.964876     12.964000     -0.237230    -41.123980
        1800.00
 lithium borate,cr,l LiBO2     
 need abbrev         B(1)Li(1)O(2)
 JA98                13.Aug.24 
         -230179.3     -243599.9    12.364       0.0
         68.326758     -1.356445     19.043735  -1285.893690
        1800.00
 sodium borate,cr,l  NaBO2     
 need abbrev         B(1)Na(1)O(2)
 JA98                13.Aug.24 
         -219739.2     -233200.0    17.576       0.0
         12.081865     13.937316     -0.883778     11.606055
        1800.00
 boron oxide,cr,l    B2O3      
 need abbrev         B(2)O(3)  
 JA98                13.Aug.24 
         -285085.1     -304000.0    12.895       0.0
         99.533857    -16.539384     16.923672  -1703.992274
        1800.00
 titanium boride,cr,l TiB2      
 need abbrev         B(2)Ti(1) 
 JA98                13.Aug.24 
          -65806.4      -66800.0     6.808       0.0
         17.851776      3.403841     -3.303594    -79.078265
        1800.00
 zirconium borid,cr,l ZrB2      
 need abbrev         B(2)Zr(1) 
 JA98                13.Aug.24 
          -76059.8      -77099.9     8.590       0.0
         15.551774      2.034716     -4.273920      2.775667
        1800.00
 potassium borat,cr,l K2B4O7    
 need abbrev         B(4)K(2)O(7)
 JA98                13.Aug.24 
         -749702.7     -796900.1    49.800       0.0
        109.247164     40.031458     39.079762  -2117.712074
        1800.00
 lithium borate,cr,l Li2B4O7   
 need abbrev         B(4)Li(2)O(7)
 JA98                13.Aug.24 
         -757717.7     -803599.9    37.200       0.0
        135.828002     28.264543     52.579619  -2734.349686
        1800.00
 sodium borate,cr,l  Na2B4O7   
 need abbrev         B(4)Na(2)O(7)
 JA98                13.Aug.24 
         -736501.4     -783159.9    45.289       0.0
        227.257106     -3.876240     80.270287  -4654.595307
        1800.00
 potassium borat,cr,l K2B8O13   
 need abbrev         B(8)K(2)O(13)
 JA98                13.Aug.24 
        -1334286.1    -1420919.9    70.200       0.0
        352.142989    -24.127180     87.970000  -6317.781990
        1800.00
 decaborane,cr,l     B10H14    
 need abbrev         B(10)H(14)
 JA98                13.Aug.24 
           49860.7       -6900.1    42.200       0.0
        194.774400     -0.054206     -2.120472  -2401.009676
        1500.00
 barium,cr,l         Ba        
 need abbrev         Ba(1)     
 JA98                13.Aug.24 
               0.0           0.0    14.932       0.0
          8.718684     -0.645916     -5.604148     72.887502
        1800.00
 barium bromide,cr,l BaBr2     
 need abbrev         Ba(1)Br(2)
 JA98                13.Aug.24 
         -176386.2     -181099.9    35.500       0.0
         39.134171     -0.924182      8.364237   -512.839291
        1800.00
 barium chloride,cr,l BaCl2     
 need abbrev         Ba(1)Cl(2)
 JA98                13.Aug.24 
         -193664.0     -205200.0    29.557       0.0
         68.707554     -7.143959     21.888745  -1256.322640
        1800.00
 barium fluoride,cr,l BaF2      
 need abbrev         Ba(1)F(2) 
 JA98                13.Aug.24 
         -276866.6     -288900.1    23.039       0.0
        206.650221    -45.111889     72.028647  -4413.122681
        1800.00
 barium hydroxid,cr,l Ba(OH)2   
 need abbrev         Ba(1)H(2)O(2)
 JA98                13.Aug.24 
         -205419.7     -226169.9    25.600       0.0
         68.273004     -8.735308      5.976620   -832.011819
        1800.00
 barium iodide,cr,l  BaI2      
 need abbrev         Ba(1)I(2) 
 JA98                13.Aug.24 
         -143739.7     -144700.0    39.470       0.0
         64.857320     -6.260206     19.074872  -1132.444208
        1800.00
 barium oxide,cr,l   BaO       
 need abbrev         Ba(1)O(1) 
 JA98                13.Aug.24 
         -124374.3     -131000.0    17.225       0.0
         13.682455      1.275923     -0.416036    -39.718886
        1800.00
 beryllium,cr,l      Be        
 need abbrev         Be(1)     
 JA98                13.Aug.24 
               0.0           0.0     2.256       0.0
         13.009943     -0.939032      1.271322   -175.636229
        1800.00
 beryllium chlor,cr,l BeCl2     
 need abbrev         Be(1)Cl(2)
 JA98                13.Aug.24 
         -106657.3     -117335.1    19.760       0.0
        112.832770    -20.225600     26.687665  -2094.895116
        1800.00
 beryllium fluor,cr,l BeF2      
 need abbrev         Be(1)F(2) 
 JA98                13.Aug.24 
         -234078.6     -245400.1    12.752       0.0
         -2.552254     11.582807     -9.123660    376.756371
        1800.00
 lithium trifluo,cr,l LiBeF3    
 need abbrev         Be(1)F(3)Li(1)
 JA98                13.Aug.24 
         -376738.3     -394800.0    21.330       0.0
        105.284015    -17.201630     13.081459  -1610.559367
        1800.00
 lithium tetrafl,cr,l Li2BeF4   
 need abbrev         Be(1)F(4)Li(2)
 JA98                13.Aug.24 
         -518986.1     -543400.1    31.210       0.0
        178.057052    -29.538629     35.804128  -3060.822119
        1800.00
 beryllium iodid,cr,l BeI2      
 need abbrev         Be(1)I(2) 
 JA98                13.Aug.24 
          -44737.8      -45099.9    28.800       0.0
         95.354978    -16.522303     23.525231  -1729.184285
        1500.00
 beryllium oxide,cr,l BeO       
 need abbrev         Be(1)O(1) 
 JA98                13.Aug.24 
         -138399.1     -145400.1     3.291       0.0
         16.642763      0.005688     -1.727656   -148.621817
        1800.00
 beryllium nitri,cr,l Be3N2     
 need abbrev         Be(3)N(2) 
 JA98                13.Aug.24 
         -127359.9     -140599.9     8.157       0.0
         55.274013     -4.987469     -0.471722   -654.572227
        1800.00
 potassium bromi,cr,l KBr       
 need abbrev         Br(1)K(1) 
 JA98                13.Aug.24 
          -90925.2      -94120.0    22.930       0.0
         40.175031     -4.757601     10.006170   -645.260529
        1800.00
 lithium bromide,cr,l LiBr      
 need abbrev         Br(1)Li(1)
 JA98                13.Aug.24 
          -81651.5      -83870.0    17.700       0.0
         38.896243     -5.674154      7.095002   -578.429202
        1800.00
 sodium bromide,cr,l NaBr      
 need abbrev         Br(1)Na(1)
 JA98                13.Aug.24 
          -83476.8      -86380.0    20.750       0.0
         25.318005     -2.166831      3.526383   -281.625977
        1800.00
 bromine,cr,l        Br2       
 need abbrev         Br(2)     
 JA98                13.Aug.24 
               0.0           0.0    36.378       0.0
         37.597467    -10.434537      3.665333   -354.435531
         500.00
 calcium bromide,cr,l CaBr2     
 need abbrev         Br(2)Ca(1)
 JA98                13.Aug.24 
         -158733.0     -163300.0    31.000       0.0
         49.023907     -1.312453     14.739142   -809.746354
        1800.00
 iron bromide,cr,l   FeBr2     
 need abbrev         Br(2)Fe(1)
 JA98                13.Aug.24 
          -56730.9      -59500.0    33.620       0.0
         56.567538     -5.813808     14.071165   -885.096891
        1800.00
 mercury bromide,cr,l HgBr2     
 need abbrev         Br(2)Hg(1)
 JA98                13.Aug.24 
          -36372.6      -40500.0    40.706       0.0
         66.599281    -12.294782      9.261211   -958.889353
        1500.00
 magnesium bromi,cr,l MgBr2     
 need abbrev         Br(2)Mg(1)
 JA98                13.Aug.24 
         -120473.9     -125300.0    28.000       0.0
         53.023808     -4.576527     13.121187   -839.968417
        1800.00
 lead bromide,cr,l   PbBr2     
 need abbrev         Br(2)Pb(1)
 JA98                13.Aug.24 
          -62319.1      -66300.0    38.511       0.0
         79.539566    -12.933944     16.779044  -1306.330809
        1800.00
 strontium bromi,cr,l SrBr2     
 need abbrev         Br(2)Sr(1)
 JA98                13.Aug.24 
         -167006.5     -171599.9    34.283       0.0
         85.177249    -11.276410     26.379226  -1600.789646
        1800.00
 zirconium bromi,cr,l ZrBr2     
 need abbrev         Br(2)Zr(1)
 JA98                13.Aug.24 
          -91342.7      -96700.0    27.700       0.0
         27.325426     -1.624376      0.739620   -120.552408
        1800.00
 titanium bromid,cr,l TiBr4     
 need abbrev         Br(4)Ti(1)
 JA98                13.Aug.24 
         -141176.1     -147700.0    58.227       0.0
        -41.235379     26.480511    -30.279421   1719.110178
        1000.00
 niobium bromide,cr,l NbBr5     
 need abbrev         Br(5)Nb(1)
 JA98                13.Aug.24 
         -121626.9     -132900.1    61.850       0.0
        698.856001   -269.301097    156.292322 -13101.865606
         900.00
 tungsten bromid,cr,l WBr5      
 need abbrev         Br(5)W(1) 
 JA98                13.Aug.24 
          -64437.1      -74500.0    65.000       0.0
         99.558653    -22.697335      6.444249  -1087.188231
        1000.00
 boron carbide,cr,l  B4C       
 need abbrev         C(1)B(4)  
 JA98                13.Aug.24 
          -14844.4      -14979.9     6.495       0.0
         24.531344      4.969234     -9.917415    -35.724918
        1800.00
 beryllium carbi,cr,l Be2C      
 need abbrev         C(1)Be(2) 
 JA98                13.Aug.24 
          -21108.3      -21700.0     3.900       0.0
         40.853860     -0.721262     11.687849   -747.133318
        1800.00
 potassium cyani,cr,l KCN       
 need abbrev         C(1)K(1)N(1)
 JA98                13.Aug.24 
          -24381.2      -27120.0    30.540       0.0
         32.607097     -2.769108      7.323762   -414.937502
        1800.00
 potassium carbo,cr,l K2CO3     
 need abbrev         C(1)K(2)O(3)
 JA98                13.Aug.24 
         -254428.3     -274900.1    37.170       0.0
        128.717184    -14.405362     30.199006  -2255.852558
        1800.00
 lithium carbona,cr,l Li2CO3    
 need abbrev         C(1)Li(2)O(3)
 JA98                13.Aug.24 
         -270583.2     -290640.1    21.551       0.0
        135.066378    -20.788501     25.722331  -2325.952422
        1800.00
 sodium cyanide,cr,l NaCN      
 need abbrev         C(1)N(1)Na(1)
 JA98                13.Aug.24 
               nan      999999.0    28.314       0.0
         37.545362     -3.639986      9.001863   -518.681052
        1800.00
 sodium carbonat,cr,l NaCO3     
 need abbrev         C(1)Na(2)O(3)
 JA98                13.Aug.24 
         -250480.2     -270260.0    33.173       0.0
         96.159742    -10.885768     10.027660  -1343.793438
        1800.00
 tantalum carbid,cr,l TaC       
 need abbrev         C(1)Ta(1) 
 JA98                13.Aug.24 
          -34095.1      -34440.0    10.127       0.0
         11.244557      1.625285     -1.830352    -15.267351
        1800.00
 titanium carbid,cr,l TiC       
 need abbrev         C(1)Ti(1) 
 JA98                13.Aug.24 
          -43125.7      -44000.0     5.791       0.0
          8.541766      2.000090     -4.501474     68.310831
        1800.00
 zirconium carbi,cr,l ZrC       
 need abbrev         C(1)Zr(1) 
 JA98                13.Aug.24 
          -46195.5      -47000.0     7.964       0.0
         15.514141     -0.050221     -1.707518    -79.048005
        1800.00
 calcium,cr,l        Ca        
 need abbrev         Ca(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.940       0.0
         31.948288     -5.954605      8.004047   -567.389513
        1800.00
 calcium chlorid,cr,l CaCl2     
 need abbrev         Ca(1)Cl(2)
 JA98                13.Aug.24 
         -178793.7     -190200.0    25.000       0.0
         42.950697     -1.585753     11.225820   -646.011261
        1800.00
 calcium fluorid,cr,l CaF2      
 need abbrev         Ca(1)F(2) 
 JA98                13.Aug.24 
         -280472.3     -293000.0    16.389       0.0
         37.024808      1.381709      8.846477   -529.882511
        1800.00
 calcium iodide,cr,l CaI2      
 need abbrev         Ca(1)I(2) 
 JA98                13.Aug.24 
         -127413.2     -128300.0    34.724       0.0
         44.870708     -2.731270     10.461738   -642.233969
        1800.00
 calcium oxide,cr,l  CaO       
 need abbrev         Ca(1)O(1) 
 JA98                13.Aug.24 
         -144240.2     -151789.9     9.133       0.0
         12.526341      0.876822     -1.801134    -12.011849
        1800.00
 cesium chloride,cr,l CsCl      
 need abbrev         Cl(1)Cs(1)
 JA98                13.Aug.24 
          -99034.4     -105840.1    24.183       0.0
         45.546447     -4.901625     12.309779   -780.379929
        1800.00
 copper chloride,cr,l CuCl      
 need abbrev         Cl(1)Cu(1)
 JA98                13.Aug.24 
          -28890.1      -33000.0    20.800       0.0
         22.454488     -1.675006     -1.577843   -147.718852
        1800.00
 iodine chloride,cr,l ICl       
 need abbrev         Cl(1)I(1) 
 JA98                13.Aug.24 
           -3357.8       -8466.1    23.405       0.0
        -96.852668     31.389981    -52.267132   2800.187604
        1000.00
 potassium chlor,cr,l KCl       
 need abbrev         Cl(1)K(1) 
 JA98                13.Aug.24 
          -97696.2     -104370.0    19.731       0.0
         41.393933     -4.216666     11.075672   -693.361847
        1800.00
 lithium chlorid,cr,l LiCl      
 need abbrev         Cl(1)Li(1)
 JA98                13.Aug.24 
          -91782.7      -97577.9    14.173       0.0
         44.265015     -8.433500      8.352261   -684.154665
        1800.00
 lithium perchlo,cr,l LiClO4    
 need abbrev         Cl(1)Li(1)O(4)
 JA98                13.Aug.24 
          -60686.2      -91000.0    30.000       0.0
         46.540623     -3.976366    -14.628470    -70.000458
        1500.00
 sodium chloride,cr,l NaCl      
 need abbrev         Cl(1)Na(1)
 JA98                13.Aug.24 
          -91783.9      -98260.0    17.236       0.0
         41.897134     -5.661015     10.251568   -682.572787
        1800.00
 cobalt chloride,cr,l CoCl2     
 need abbrev         Cl(2)Co(1)
 JA98                13.Aug.24 
          -64447.2      -74700.0    26.115       0.0
         33.264318     -0.651383      5.160916   -344.803961
        1800.00
 iron chloride,cr,l  FeCl2     
 need abbrev         Cl(2)Fe(1)
 JA98                13.Aug.24 
          -72261.5      -81700.0    28.190       0.0
         47.686649     -3.789171     11.049955   -698.273628
        1800.00
 mercury chlorid,cr,l HgCl2     
 need abbrev         Cl(2)Hg(1)
 JA98                13.Aug.24 
          -43982.3      -55000.0    34.535       0.0
         74.580612    -14.458527     12.327836  -1150.617878
        1500.00
 magnesium chlor,cr,l MgCl2     
 need abbrev         Cl(2)Mg(1)
 JA98                13.Aug.24 
         -141512.2     -153349.9    21.422       0.0
         37.862064     -2.896190      5.753763   -453.926926
        1800.00
 nickel chloride,cr,l NiCl2     
 need abbrev         Cl(2)Ni(1)
 JA98                13.Aug.24 
          -61849.7      -72880.0    23.460       0.0
         15.210935      5.436947     -0.186828     11.108916
        1800.00
 lead chloride,cr,l  PbCl2     
 need abbrev         Cl(2)Pb(1)
 JA98                13.Aug.24 
          -75076.7      -85900.1    32.500       0.0
         83.308195    -12.963870     21.236988  -1463.490415
        1800.00
 strontium chlor,cr,l SrCl2     
 need abbrev         Cl(2)Sr(1)
 JA98                13.Aug.24 
         -186416.1     -198099.9    27.440       0.0
         96.824143    -17.202926     27.354508  -1796.478625
        1800.00
 zirconium chlor,cr,l ZrCl2     
 need abbrev         Cl(2)Zr(1)
 JA98                13.Aug.24 
          -92175.0     -103000.0    26.300       0.0
         34.817597     -2.266702      4.820431   -382.010020
        1800.00
 iron chloride,cr,l  FeCl3     
 need abbrev         Cl(3)Fe(1)
 JA98                13.Aug.24 
          -79811.2      -95460.1    34.019       0.0
         59.514262     -8.750696     -0.597815   -576.322227
        1500.00
 molybdenum chlo,cr,l MoCl4     
 need abbrev         Cl(4)Mo(1)
 JA98                13.Aug.24 
          -96119.5     -114000.0    53.500       0.0
         43.301526     -2.923328     -2.236878   -156.213589
        1500.00
 tungsten chlori,cr,l OWCl4     
 need abbrev         Cl(4)O(1)W(1)
 JA98                13.Aug.24 
         -131283.9     -160400.1    41.300       0.0
        113.622726    -28.776245      6.797809  -1345.349300
        1000.00
 titanium chlori,cr,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,cr,l MoCl5     
 need abbrev         Cl(5)Mo(1)
 JA98                13.Aug.24 
         -101214.9     -126000.0    57.000       0.0
         24.305813      4.320099    -13.758726    465.844737
        1200.00
 niobium chlorid,cr,l NbCl5     
 need abbrev         Cl(5)Nb(1)
 JA98                13.Aug.24 
         -163513.6     -190599.9    51.160       0.0
        945.586957   -402.272649    187.499453 -17289.249726
         800.00
 tantalum chlori,cr,l TaCl5     
 need abbrev         Cl(5)Ta(1)
 JA98                13.Aug.24 
         -178405.4     -205300.0    53.000       0.0
        928.835052   -393.141884    185.586906 -17009.322971
         800.00
 tungsten chlori,cr,l WCl5      
 need abbrev         Cl(5)W(1) 
 JA98                13.Aug.24 
          -96035.1     -122599.9    52.000       0.0
         36.323858      0.955931    -11.926981    238.788607
        1500.00
 tungsten chlori,cr,l WCl6      
 need abbrev         Cl(6)W(1) 
 JA98                13.Aug.24 
         -108877.6     -141900.1    57.000       0.0
         20.919980      6.909859    -18.652528    689.872554
        1500.00
 cobalt,cr,l         Co        
 need abbrev         Co(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.186       0.0
         42.512052     -7.180897     13.835371   -855.158202
        1800.00
 cobalt fluoride,cr,l CoF2      
 need abbrev         Co(1)F(2) 
 JA98                13.Aug.24 
         -149751.9     -160500.0    19.605       0.0
        -16.798608     13.745091    -13.981921    773.069114
        1800.00
 chromium,cr,l       Cr        
 need abbrev         Cr(1)     
 JA98                13.Aug.24 
               0.0           0.0     5.645       0.0
         -6.141645      6.710069     -3.506251    235.346003
        1800.00
 chromium oxide,cr,l Cr2O3     
 need abbrev         Cr(2)O(3) 
 JA98                13.Aug.24 
         -251688.8     -271200.0    19.396       0.0
         48.173623     -2.192484     11.282895   -527.774461
        1800.00
 cesium,cr,l         Cs        
 need abbrev         Cs(1)     
 JA98                13.Aug.24 
               0.0           0.0    20.351       0.0
          6.973086      0.263011      0.399700      4.155090
        1500.00
 cesium fluoride,cr,l CsF       
 need abbrev         Cs(1)F(1) 
 JA98                13.Aug.24 
         -125568.1     -132570.0    21.100       0.0
         42.259420     -4.516510     11.102950   -704.692568
        1800.00
 cesium hydroxid,cr,l CsOH      
 need abbrev         Cs(1)H(1)O(1)
 JA98                13.Aug.24 
          -88603.3      -99599.9    23.600       0.0
         13.082511      1.121698     -7.768302    195.613474
        1800.00
 cesium sulfate,cr,l Cs2SO4    
 need abbrev         Cs(2)O(4)S(1)
 JA98                13.Aug.24 
         -316241.6     -344800.0    50.640       0.0
        149.251322    -25.364495     25.806525  -2389.954496
        1800.00
 copper,cr,l         Cu        
 need abbrev         Cu(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.926       0.0
          8.276808      0.767246      1.098827    -66.282582
        1800.00
 copper fluoride,cr,l CuF2      
 need abbrev         Cu(1)F(2) 
 JA98                13.Aug.24 
         -117505.3     -128800.0    18.511       0.0
         37.395337     -1.468932      4.078242   -445.579348
        1800.00
 copper oxide,cr,l   Cu2O      
 need abbrev         Cu(2)O(1) 
 JA98                13.Aug.24 
          -35345.6      -40800.0    22.075       0.0
          7.631762      7.564527     -3.310744    151.891489
        1800.00
 potassium fluor,cr,l KF        
 need abbrev         F(1)K(1)  
 JA98                13.Aug.24 
         -128808.3     -135900.1    15.905       0.0
         28.832540     -0.732321      7.003399   -425.368263
        1800.00
 lithium fluorid,cr,l LiF       
 need abbrev         F(1)Li(1) 
 JA98                13.Aug.24 
         -140693.1     -147450.0     8.523       0.0
         29.941021     -2.560455      4.877674   -424.389750
        1800.00
 sodium fluoride,cr,l NaF       
 need abbrev         F(1)Na(1) 
 JA98                13.Aug.24 
         -130277.5     -137520.1    12.240       0.0
         28.789031     -1.367997      6.520146   -420.651127
        1800.00
 iron fluoride,cr,l  FeF2      
 need abbrev         F(2)Fe(1) 
 JA98                13.Aug.24 
         -158501.0     -168700.0    20.790       0.0
          3.098153      8.087660     -5.322833    288.635347
        1800.00
 potassium fluor,cr,l K(HF2)    
 need abbrev         F(2)H(1)K(1)
 JA98                13.Aug.24 
         -206284.7     -222570.0    24.920       0.0
         23.711262     -0.353959     -9.355938     87.215640
        1800.00
 mercury fluorid,cr,l HgF2      
 need abbrev         F(2)Hg(1) 
 JA98                13.Aug.24 
          -89420.2     -101000.0    27.800       0.0
         55.547079     -5.762653     14.151631   -891.652508
        1800.00
 magnesium fluor,cr,l MgF2      
 need abbrev         F(2)Mg(1) 
 JA98                13.Aug.24 
         -256001.2     -268700.0    13.684       0.0
         -0.753228      7.889945     -9.275188    404.461661
        1800.00
 lead fluoride,cr,l  PbF2      
 need abbrev         F(2)Pb(1) 
 JA98                13.Aug.24 
         -150782.7     -161800.0    27.000       0.0
         60.044795     -9.183061      7.074215   -834.597738
        1500.00
 strontium fluor,cr,l SrF2      
 need abbrev         F(2)Sr(1) 
 JA98                13.Aug.24 
         -278332.7     -290900.1    19.628       0.0
        116.959970    -15.838758     45.328998  -2506.646171
        1800.00
 zirconium fluor,cr,l ZrF2      
 need abbrev         F(2)Zr(1) 
 JA98                13.Aug.24 
         -218146.3     -230000.0    18.000       0.0
         32.147435      1.067459      5.917942   -400.894840
        1800.00
 tungsten fluori,cr,l WF4O      
 need abbrev         F(4)O(1)W(1)
 JA98                13.Aug.24 
         -310243.3     -336259.1    42.000       0.0
        -46.671763     27.505459    -47.495179   2134.664364
        1000.00
 iron,cr,l           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
 iron iodide,cr,l    FeI2      
 need abbrev         Fe(1)I(2) 
 JA98                13.Aug.24 
          -26702.9      -25000.0    40.000       0.0
        102.504029    -17.649125     31.029410  -1931.274205
        1800.00
 iron oxide,cr,l     FeO       
 need abbrev         Fe(1)O(1) 
 JA98                13.Aug.24 
          -60093.0      -65020.1    14.520       0.0
          9.783383      2.978986     -1.293931     46.467280
        1800.00
 iron sulfide, t,cr,l FeS       
 need abbrev         Fe(1)S(1) 
 JA98                13.Aug.24 
          -24367.4      -24300.0    14.417       0.0
        -59.686870     19.331576    -34.862117   1834.495834
        1800.00
 gallium,cr,l        Ga        
 need abbrev         Ga(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.761       0.0
          4.590371      0.437263     -0.759348     43.666650
        1800.00
 potassium hydro,cr,l KOH       
 need abbrev         H(1)K(1)O(1)
 JA98                13.Aug.24 
          -90559.0     -101510.0    18.859       0.0
         21.193298     -0.590390     -4.535022     -8.419008
        1800.00
 lithium hydride,cr,l LiH       
 need abbrev         H(1)Li(1) 
 JA98                13.Aug.24 
          -16359.2      -21659.9     4.789       0.0
         54.584605     -9.551416     10.892834   -989.296643
        1800.00
 lithium hydroxi,cr,l LiOH      
 need abbrev         H(1)Li(1)O(1)
 JA98                13.Aug.24 
         -104913.5     -115900.1    10.234       0.0
         61.294701     -9.670673     10.827981  -1013.726509
        1800.00
 sodium hydroxid,cr,l NaOH      
 need abbrev         H(1)Na(1)O(1)
 JA98                13.Aug.24 
          -90760.3     -101800.0    15.403       0.0
         26.824423     -3.572903     -7.037493    -69.097023
        1800.00
 strontium hydro,cr,l Sr(OH)2   
 need abbrev         H(2)O(2)Sr(1)
 JA98                13.Aug.24 
         -210587.5     -231570.0    23.200       0.0
        141.424235    -25.066918     29.845107  -2584.442831
        1800.00
 sulfuric acid,cr,l  O2S(OH)2  
 need abbrev         H(2)O(4)S(1)
 JA98                13.Aug.24 
         -164894.4     -194548.0    37.499       0.0
         19.738250     46.239474      0.208883    -11.002558
        1000.00
 phosphoric acid,cr,l H3PO4     
 need abbrev         H(3)O(4)P(1)
 JA98                13.Aug.24 
         -268717.5     -306973.0    26.421       0.0
       -137.058061    123.032440    -59.626656   3342.740820
        1000.00
 sulfuric acid, ,cr,l H2SO4.H2O 
 need abbrev         H(4)O(5)S(1)
 JA98                13.Aug.24 
         -227124.8     -269507.9    50.552       0.0
         43.629695     34.875888      1.466434    -77.135912
        1000.00
 sulfuric acid, ,cr,l H2SO4.2H2O
 need abbrev         H(6)O(6)S(1)
 JA98                13.Aug.24 
         -286701.7     -341085.1    66.052       0.0
         39.298837     77.797857      0.003330     -0.159951
        1000.00
 sulfuric acid, ,cr,l H2SO4.3H2O
 need abbrev         H(8)O(7)S(1)
 JA98                13.Aug.24 
         -345098.7     -411185.9    82.546       0.0
         57.316572     68.318006      0.745968    -39.625171
        1000.00
 sulfuric acid, ,cr,l H2SO4.4H2O
 need abbrev         H(10)O(8)S(1)
 JA98                13.Aug.24 
         -402907.3     -480688.1    99.075       0.0
         77.032823     57.113971      0.893571    -47.043715
        1000.00
 sulfuric acid, ,cr,l H2SO4.6.5H2O
 need abbrev         H(15)O(10).(5)S(1)
 JA98                13.Aug.24 
         -546278.9     -653265.1   140.492       0.0
        127.029358     30.210614     -0.137730      7.426987
        1000.00
 hafnium,cr,l        Hf        
 need abbrev         Hf(1)     
 JA98                13.Aug.24 
               0.0           0.0    10.411       0.0
          6.812870      1.556955      0.216308    -23.747349
        1800.00
 mercury,cr,l        Hg        
 need abbrev         Hg(1)     
 JA98                13.Aug.24 
               0.0           0.0    18.171       0.0
          5.694317      0.860496      0.448883      4.198736
        1800.00
 mercury iodide,cr,l HgI2      
 need abbrev         Hg(1)I(2) 
 JA98                13.Aug.24 
          -24427.3      -25200.0    43.338       0.0
         62.595396    -11.131628      8.355895   -867.685454
        1500.00
 mercury iodide,cr,l Hg2I2     
 need abbrev         Hg(2)I(2) 
 JA98                13.Aug.24 
          -26544.7      -28462.0    57.670       0.0
         81.999055    -14.301190     11.287092  -1127.610791
        1500.00
 potassium iodid,cr,l KI        
 need abbrev         I(1)K(1)  
 JA98                13.Aug.24 
          -77204.6      -78370.0    25.427       0.0
         45.474584     -5.864956     11.851231   -765.099606
        1800.00
 lithium iodide,cr,l LiI       
 need abbrev         I(1)Li(1) 
 JA98                13.Aug.24 
          -64451.5      -64550.0    20.500       0.0
         26.469584     -2.990942      1.541913   -265.910215
        1800.00
 sodium iodide,cr,l  NaI       
 need abbrev         I(1)Na(1) 
 JA98                13.Aug.24 
          -68014.3      -68800.0    23.542       0.0
         29.046727     -2.637549      5.545880   -378.779911
        1800.00
 iodine,cr,l         I2        
 need abbrev         I(2)      
 JA98                13.Aug.24 
               0.0           0.0    27.759       0.0
         -9.804162      6.965177    -21.176347    761.857409
        1000.00
 magnesium iodid,cr,l MgI2      
 need abbrev         I(2)Mg(1) 
 JA98                13.Aug.24 
          -86338.4      -87700.0    31.000       0.0
         48.380002     -4.450484     10.284974   -700.236819
        1800.00
 lead iodide,cr,l    PbI2      
 need abbrev         I(2)Pb(1) 
 JA98                13.Aug.24 
          -41485.9      -41919.9    41.787       0.0
        105.411101    -21.260802     27.004367  -1913.628241
        1500.00
 strontium iodid,cr,l SrI2      
 need abbrev         I(2)Sr(1) 
 JA98                13.Aug.24 
         -133294.0     -134200.0    38.031       0.0
         73.066164    -10.020547     18.863845  -1251.047877
        1800.00
 zirconium iodid,cr,l ZrI2      
 need abbrev         I(2)Zr(1) 
 JA98                13.Aug.24 
          -61657.5      -62000.0    35.900       0.0
        -13.285388     26.838339     -0.678616    497.129788
        1800.00
 tetraiodosilane,cr,l SiI4      
 need abbrev         I(4)Si(1) 
 JA98                13.Aug.24 
          -45802.3      -45300.0    61.700       0.0
        104.280348    -34.390358    -12.031311   -946.727408
         700.00
 titanium iodide,cr,l TiI4      
 need abbrev         I(4)Ti(1) 
 JA98                13.Aug.24 
          -88596.3      -89800.0    58.831       0.0
         12.596285      5.772100    -20.357151    664.733293
        1500.00
 potassium,cr,l      K         
 need abbrev         K(1)      
 JA98                13.Aug.24 
               0.0           0.0    15.457       0.0
        -10.580396      6.196591     -5.538427    384.247154
        1500.00
 potassium silic,cr,l K2SiO3    
 need abbrev         K(2)O(3)Si(1)
 JA98                13.Aug.24 
         -347928.5     -370000.0    34.930       0.0
         91.108930    -11.405258      8.940938  -1198.789894
        1800.00
 potassium sulfa,cr,l K2SO4     
 need abbrev         K(2)O(4)S(1)
 JA98                13.Aug.24 
         -315390.8     -343620.0    41.956       0.0
        125.577059    -18.263922     20.431759  -1926.817670
        1800.00
 potassium sulfi,cr,l K2S       
 need abbrev         K(2)S(1)  
 JA98                13.Aug.24 
          -86698.1      -90000.0    27.500       0.0
        257.967897    -62.505451     83.268043  -5424.810066
        1800.00
 lithium,cr,l        Li        
 need abbrev         Li(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.951       0.0
          2.013803      0.936024     -3.950359    137.468866
        1800.00
 lithium oxide,cr,l  Li2O      
 need abbrev         Li(2)O(1) 
 JA98                13.Aug.24 
         -134345.6     -143099.9     9.056       0.0
         27.538251      1.445431      0.270600   -264.021421
        1800.00
 lithium silicat,cr,l Li2SiO3   
 need abbrev         Li(2)O(3)Si(1)
 JA98                13.Aug.24 
         -372547.6     -394240.0    19.191       0.0
         49.130828      0.858792     -0.693391   -422.336692
        1800.00
 lithium titaniu,cr,l Li2TiO3   
 need abbrev         Li(2)O(3)Ti(1)
 JA98                13.Aug.24 
         -377573.4     -399300.0    21.930       0.0
         -4.263404     16.648550    -19.573329    819.155818
        1800.00
 lithium sulfate,cr,l Li2SO4    
 need abbrev         Li(2)O(4)S(1)
 JA98                13.Aug.24 
         -315753.1     -343300.0    27.234       0.0
        150.410858    -25.550913     24.231228  -2451.198834
        1800.00
 lithium silicat,cr,l Li2Si2O5  
 need abbrev         Li(2)O(5)Si(2)
 JA98                13.Aug.24 
         -577640.5     -612070.0    30.000       0.0
         95.199262     -5.596614      0.030597  -1042.222288
        1800.00
 magnesium,cr,l      Mg        
 need abbrev         Mg(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.809       0.0
         18.561496     -2.170713      3.825963   -279.674924
        1800.00
 magnesium oxide,cr,l MgO       
 need abbrev         Mg(1)O(1) 
 JA98                13.Aug.24 
         -135981.1     -143700.0     6.435       0.0
         13.126188      0.531355     -1.937278    -38.700341
        1800.00
 magnesium silic,cr,l MgSiO3    
 need abbrev         Mg(1)O(3)Si(1)
 JA98                13.Aug.24 
         -349431.9     -370200.0    16.197       0.0
         51.662756     -5.080105      2.399896   -574.382308
        1800.00
 magnesium titan,cr,l MgTiO3    
 need abbrev         Mg(1)O(3)Ti(1)
 JA98                13.Aug.24 
         -354715.1     -375849.9    17.820       0.0
         34.910848      1.573515     -3.695525   -160.215379
        1800.00
 magnesium sulfa,cr,l MgSO4     
 need abbrev         Mg(1)O(4)S(1)
 JA98                13.Aug.24 
         -274237.1     -301574.1    21.844       0.0
         93.464221    -11.395840     17.202536  -1487.911840
        1800.00
 magnesium titan,cr,l MgTi2O5   
 need abbrev         Mg(1)O(5)Ti(2)
 JA98                13.Aug.24 
         -566154.4     -599750.0    32.410       0.0
         43.177092      8.569518     -6.346983    -60.323242
        1800.00
 magnesium silic,cr,l Mg2SiO4   
 need abbrev         Mg(2)O(4)Si(1)
 JA98                13.Aug.24 
         -491844.9     -520300.0    22.739       0.0
         46.775914      3.202335     -4.530754   -246.451533
        1800.00
 magnesium titan,cr,l Mg2TiO4   
 need abbrev         Mg(2)O(4)Ti(1)
 JA98                13.Aug.24 
         -489416.6     -517300.0    27.510       0.0
         40.651193      7.162126     -5.199956   -106.980459
        1800.00
 magnesium silic,cr,l Mg2Si     
 need abbrev         Mg(2)Si(1)
 JA98                13.Aug.24 
          -18416.6      -18599.9    19.500       0.0
         29.682525     -0.329948      1.965439   -267.825165
        1800.00
 magnesium phosp,cr,l Mg3P2O8   
 need abbrev         Mg(3)O(8)P(2)
 JA98                13.Aug.24 
         -837203.4     -895099.9    45.000       0.0
         15.009316     41.075375    -23.681003    856.417776
        1800.00
 manganese,cr,l      Mn        
 need abbrev         Mn(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.651       0.0
          5.938487      3.106047     -0.468664     -0.862411
        1800.00
 molybdenum,cr,l     Mo        
 need abbrev         Mo(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.837       0.0
          1.954632      2.415742     -1.470756     80.719332
        1800.00
 molybdenum oxid,cr,l MoO3      
 need abbrev         Mo(1)O(3) 
 JA98                13.Aug.24 
         -159674.7     -178099.9    18.585       0.0
         67.993351     -5.806731     16.467692  -1149.069770
        1800.00
 molybdenum sulf,cr,l Mo2S3     
 need abbrev         Mo(2)S(3) 
 JA98                13.Aug.24 
          -94563.6      -97300.0    27.480       0.0
         26.358914      7.880279     -2.300442      0.025178
        1800.00
 titanium nitrid,cr,l TiN       
 need abbrev         N(1)Ti(1) 
 JA98                13.Aug.24 
          -73835.8      -80700.0     7.226       0.0
          6.388202      2.798501     -4.663304    118.661728
        1800.00
 zirconium nitri,cr,l ZrN       
 need abbrev         N(1)Zr(1) 
 JA98                13.Aug.24 
          -80472.5      -87300.0     9.288       0.0
         11.103782      1.679061     -1.718108     -0.093990
        1800.00
 nitrogen oxide,cr,l N2O4      
 need abbrev         N(2)O(4)  
 JA98                13.Aug.24 
           23308.1       -4675.9    50.000       0.0
         21.009014     43.128292     -0.038312      4.072471
         500.00
 sodium,cr,l         Na        
 need abbrev         Na(1)     
 JA98                13.Aug.24 
               0.0           0.0    12.298       0.0
        -10.843573      5.576344     -6.722583    405.847396
        1600.00
 sodium oxide,cr,l   Na2O      
 need abbrev         Na(2)O(1) 
 JA98                13.Aug.24 
          -90604.7      -99900.1    17.935       0.0
         27.300865      1.334686     -0.363673   -186.551515
        1800.00
 sodium silicate,cr,l Na2SiO3   
 need abbrev         Na(2)O(3)Si(1)
 JA98                13.Aug.24 
         -350700.3     -373190.0    27.210       0.0
         86.748148     -8.944841     11.254751  -1205.676090
        1800.00
 sodium sulfate,cr,l Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -303501.2     -331696.0    35.754       0.0
        113.188120    -16.320860     13.806100  -1610.622705
        1800.00
 sodium silicate,cr,l Na2Si2O5  
 need abbrev         Na(2)O(5)Si(2)
 JA98                13.Aug.24 
         -555488.3     -590359.9    39.210       0.0
        185.828908    -29.443166     34.545818  -3072.662052
        1800.00
 sodium sulfide,cr,l Na2S      
 need abbrev         Na(2)S(1) 
 JA98                13.Aug.24 
          -84740.0      -87500.0    23.000       0.0
        271.131382    -62.669318     97.233816  -5872.958864
        1800.00
 sodium sulfide,cr,l Na2S2     
 need abbrev         Na(2)S(2) 
 JA98                13.Aug.24 
          -93731.6      -94900.1    36.000       0.0
         67.985144    -10.764459      8.894887   -884.860312
        1500.00
 niobium,cr,l        Nb        
 need abbrev         Nb(1)     
 JA98                13.Aug.24 
               0.0           0.0     8.715       0.0
          4.545111      1.340770     -0.529579     26.663782
        1800.00
 niobium oxide,cr,l  NbO       
 need abbrev         Nb(1)O(1) 
 JA98                13.Aug.24 
          -93671.8     -100300.0    11.000       0.0
         10.277089      2.118479     -0.962922      0.017261
        1800.00
 niobium oxide,cr,l  NbO2      
 need abbrev         Nb(1)O(2) 
 JA98                13.Aug.24 
         -176667.1     -190000.0    13.027       0.0
         70.169067    -12.783627     15.419329  -1205.453338
        1800.00
 niobium oxide,cr,l  Nb2O5     
 need abbrev         Nb(2)O(5) 
 JA98                13.Aug.24 
         -422040.4     -454000.0    32.815       0.0
        -15.881469     21.687851    -24.757432   1180.023253
        1800.00
 nickel,cr,l         Ni        
 need abbrev         Ni(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.139       0.0
         -5.112540      4.091663     -7.174204    308.400663
        1800.00
 nickel sulfide,cr,l NiS       
 need abbrev         Ni(1)S(1) 
 JA98                13.Aug.24 
          -20363.3      -21000.0    12.665       0.0
         24.005407      1.590203      5.599087   -333.821024
        1800.00
 nickel sulfide,cr,l NiS2      
 need abbrev         Ni(1)S(2) 
 JA98                13.Aug.24 
          -29831.0      -31400.1    17.200       0.0
         37.083324     -2.361844      6.885980   -468.753037
        1800.00
 nickel sulfide,cr,l Ni3S2     
 need abbrev         Ni(3)S(2) 
 JA98                13.Aug.24 
          -50286.6      -51700.0    32.000       0.0
        144.773698    -20.945663     39.223229  -2658.746965
        1800.00
 lead oxide,cr,l     PbO       
 need abbrev         O(1)Pb(1) 
 JA98                13.Aug.24 
          -45239.7      -52440.0    15.850       0.0
         15.994672      1.162452     -0.071936    -90.721533
        1800.00
 strontium oxide,cr,l SrO       
 need abbrev         O(1)Sr(1) 
 JA98                13.Aug.24 
         -134178.3     -141500.0    13.270       0.0
         13.283300      1.307026     -0.688428    -35.391142
        1800.00
 titanium oxide,cr,l TiO       
 need abbrev         O(1)Ti(1) 
 JA98                13.Aug.24 
         -122676.4     -129700.0     8.310       0.0
         10.273987      4.157244     -1.485121     -5.101716
        1800.00
 vanadium oxide,cr,l VO        
 need abbrev         O(1)V(1)  
 JA98                13.Aug.24 
          -96608.5     -103200.0     9.324       0.0
         10.524508      3.736850     -1.143297      9.360521
        1800.00
 silicon oxide,cr,l  SiO2      
 need abbrev         O(2)Si(1) 
 JA98                13.Aug.24 
         -204694.8     -217700.0     9.910       0.0
          2.515516      5.736129    -10.100690    302.979157
        1800.00
 titanium oxide,cr,l TiO2      
 need abbrev         O(2)Ti(1) 
 JA98                13.Aug.24 
         -212573.1     -225800.0    12.020       0.0
         20.557459      0.015109     -2.630638    -76.598335
        1800.00
 zirconium oxide,cr,l ZrO2      
 need abbrev         O(2)Zr(1) 
 JA98                13.Aug.24 
         -248500.0     -262300.0    12.036       0.0
         33.787701     -4.058719      2.046826   -369.389259
        1800.00
 titanium oxide,cr,l Ti2O3     
 need abbrev         O(3)Ti(2) 
 JA98                13.Aug.24 
         -342693.4     -363500.0    18.464       0.0
         26.772083      2.868165    -15.423092    216.518751
        1800.00
 vanadium oxide,cr,l V2O3      
 need abbrev         O(3)V(2)  
 JA98                13.Aug.24 
         -272236.1     -291300.0    23.439       0.0
         13.617081      9.906155     -9.390904    329.141464
        1800.00
 tungsten oxide,cr,l WO3       
 need abbrev         O(3)W(1)  
 JA98                13.Aug.24 
         -182614.0     -201460.1    18.143       0.0
         -7.959401     11.864843    -15.078943    666.222883
        1800.00
 vanadium oxide,cr,l V2O4      
 need abbrev         O(4)V(2)  
 JA98                13.Aug.24 
         -315115.9     -341099.9    24.743       0.0
         30.038733      5.453906     -9.921206    122.693806
        1800.00
 tantalum oxide,cr,l Ta2O5     
 need abbrev         O(5)Ta(2) 
 JA98                13.Aug.24 
         -456740.9     -489000.0    34.205       0.0
         63.395878     -1.580846      2.976322   -587.071241
        1800.00
 titanium oxide,cr,l Ti3O5     
 need abbrev         O(5)Ti(3) 
 JA98                13.Aug.24 
         -553846.3     -587750.0    30.920       0.0
          8.154705     18.927888    -19.368878    780.787526
        1800.00
 vanadium oxide,cr,l V2O5      
 need abbrev         O(5)V(2)  
 JA98                13.Aug.24 
         -339232.3     -370599.9    31.202       0.0
         75.686998     -6.493532      2.761689   -786.068331
        1800.00
 titanium oxide,cr,l Ti4O7     
 need abbrev         O(7)Ti(4) 
 JA98                13.Aug.24 
         -767929.3     -813700.0    47.500       0.0
         85.203007      0.337422     -8.423565   -449.878298
        1800.00
 phosphorus,cr,l     P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
               0.0           0.0     9.818       0.0
          3.298164      0.699205     -1.968667     78.233607
        1800.00
 phosphorus sulf,cr,l P4S3      
 need abbrev         P(4)S(3)  
 JA98                13.Aug.24 
          -49441.7      -53691.9    48.000       0.0
         60.470972     -4.995592     -4.642519   -334.818480
        1800.00
 lead,cr,l           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
 lead sulfide,cr,l   PbS       
 need abbrev         Pb(1)S(1) 
 JA98                13.Aug.24 
          -23108.3      -23500.0    21.832       0.0
          6.541138      4.485970     -0.825731     84.322209
        1800.00
 rubidium,cr,l       Rb        
 need abbrev         Rb(1)     
 JA98                13.Aug.24 
               0.0           0.0    18.350       0.0
         -4.905079      4.624329     -3.278112    254.739186
        1600.00
 sulfur,cr,l         S         
 need abbrev         S(1)      
 JA98                13.Aug.24 
               0.0           0.0     7.662       0.0
        -31.605041      9.579269    -22.314840   1004.437319
        1500.00
 silicon sulfide,cr,l SiS2      
 need abbrev         S(2)Si(1) 
 JA98                13.Aug.24 
          -50814.8      -51000.0    19.200       0.0
         24.621637      0.512623      2.273543   -151.512269
        1800.00
 silicon,cr,l        Si        
 need abbrev         Si(1)     
 JA98                13.Aug.24 
               0.0           0.0     4.498       0.0
          9.253355     -0.332331      0.388366    -82.515767
        1800.00
 strontium,cr,l      Sr        
 need abbrev         Sr(1)     
 JA98                13.Aug.24 
               0.0           0.0    13.311       0.0
         12.266959      0.610485      2.731982   -155.366750
        1800.00
 tantalum,cr,l       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,cr,l       Ti        
 need abbrev         Ti(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.352       0.0
          6.639713      0.924547     -0.600128     -3.899616
        1800.00
 vanadium,cr,l       V         
 need abbrev         V(1)      
 JA98                13.Aug.24 
               0.0           0.0     6.916       0.0
          0.517702      3.355645     -1.761760    110.539472
        1800.00
 tungsten,cr,l       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
 zinc,cr,l           Zn        
 need abbrev         Zn(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.971       0.0
         14.636741     -1.806034      1.725474   -172.758036
        1800.00
 zirconium,cr,l      Zr        
 need abbrev         Zr(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.290       0.0
         10.600703     -0.515132      1.079090    -97.453440
        1800.00
