 aluminum,cr         Al        
 need abbrev         Al(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.758  need vol
         -9.055083      8.903442     -3.409311    276.329051
        1200.00
 aluminum bromid,cr  AlBr3     
 need abbrev         Al(1)Br(3)
 JA98                13.Aug.24 
         -116757.9     -122200.0    43.073       0.0
         13.018372      3.979002    -14.447790    449.288348
        1500.00
 aluminum chlori,cr  OAlCl     
 need abbrev         Al(1)Cl(1)O(1)
 JA98                13.Aug.24 
         -176203.4     -189599.9    13.000       0.0
         27.415741     -1.320551     -0.338460   -225.257520
        1800.00
 aluminum chlori,cr  AlCl3     
 need abbrev         Al(1)Cl(3)
 JA98                13.Aug.24 
         -150577.9     -168650.1    26.120       0.0
         15.516042     21.001064     -0.002213      0.096975
        1500.00
 potassium tetra,cr  KAlCl4    
 need abbrev         Al(1)Cl(4)K(1)
 JA98                13.Aug.24 
         -261596.8     -286000.0    47.000       0.0
        101.192515    -12.642923     14.372964  -1315.028053
        1000.00
 sodium tetrachl,cr  NaAlCl4   
 need abbrev         Al(1)Cl(4)Na(1)
 JA98                13.Aug.24 
         -248942.2     -273000.0    45.000       0.0
         93.678403    -11.181727     11.137995  -1137.198346
        1000.00
 potassium hexac,cr  K3AlCl6   
 need abbrev         Al(1)Cl(6)K(3)
 JA98                13.Aug.24 
         -463303.8     -500000.0    90.000       0.0
        102.120678      0.634999     10.756226   -947.021287
        1800.00
 sodium hexachlo,cr  Na3AlCl6  
 need abbrev         Al(1)Cl(6)Na(3)
 JA98                13.Aug.24 
         -437042.1     -473000.0    83.000       0.0
         91.375249      2.845965      7.597379   -731.638732
        1800.00
 aluminum fluori,cr  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
 potassium hexaf,cr  K3AlF6    
 need abbrev         Al(1)F(6)K(3)
 JA98                13.Aug.24 
         -756082.0     -795000.0    68.000       0.0
        120.766849     -4.629629     13.941345  -1410.470248
        1800.00
 lithium hexaflu,cr  Li3AlF6   
 need abbrev         Al(1)F(6)Li(3)
 JA98                13.Aug.24 
         -770504.3     -808700.0    44.907       0.0
         41.661072     25.946635    -11.709327    209.331792
        1600.00
 cryolite, alpha,cr  Na3AlF6   
 need abbrev         Al(1)F(6)Na(3)
 JA98                13.Aug.24 
         -753386.2     -792760.0    56.995       0.0
         28.449441     37.581110     -6.852931    339.449347
        1200.00
 cryolite, beta,cr   Na3AlF6   
 need abbrev         Al(1)F(6)Na(3)
 JA98                13.Aug.24 
         -749971.3     -786037.5    68.088       0.0
         29.384625     38.691937      4.891058      2.036129
        1500.00
 lithium tetrahy,cr  LiAlH4    
 need abbrev         Al(1)H(4)Li(1)
 JA98                13.Aug.24 
          -11549.5      -28000.0    21.000       0.0
         46.439963     -3.230912      2.953173   -486.235075
        1800.00
 aluminum iodide,cr  AlI3      
 need abbrev         Al(1)I(3) 
 JA98                13.Aug.24 
          -71945.0      -72400.1    46.870       0.0
         47.942929     -4.574732     -0.000094   -397.130621
        1500.00
 lithium aluminu,cr  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
 aluminum nitrid,cr  AlN       
 need abbrev         Al(1)N(1) 
 JA98                13.Aug.24 
          -68593.5      -76000.0     4.814       0.0
         17.368069     -0.895477     -1.061696   -150.624899
        1800.00
 sodium aluminum,cr  NaAlO2    
 need abbrev         Al(1)Na(1)O(2)
 JA98                13.Aug.24 
         -255556.4     -270840.1    16.826       0.0
         19.996166      3.871977     -5.251800     39.474365
        1800.00
 beryllium alumi,cr  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
 potassium alumi,cr  K3Al2Cl9  
 need abbrev         Al(2)Cl(9)K(3)
 JA98                13.Aug.24 
         -627603.5     -683599.9   112.000       0.0
         36.440424     37.422512    -16.060871    878.972928
        1500.00
 magnesium alumi,cr  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  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
 aluminum oxide,,cr  Al2O3     
 need abbrev         Al(2)O(3) 
 JA98                13.Aug.24 
         -375949.8     -398300.0    12.100       0.0
         37.494234      0.546414     -5.176426   -214.223114
        1800.00
 aluminum oxide,,cr  Al2O3     
 need abbrev         Al(2)O(3) 
 JA98                13.Aug.24 
         -373769.1     -396000.0    12.500       0.0
         38.110504      0.556084     -5.262893   -217.696578
        1800.00
 aluminum oxide,,cr  Al2O3     
 need abbrev         Al(2)O(3) 
 JA98                13.Aug.24 
         -375158.5     -397300.0    12.800       0.0
         37.204366      0.541838     -5.135499   -212.593883
        1800.00
 aluminum silica,cr  Al2SiO5   
 need abbrev         Al(2)O(5)Si(1)
 JA98                13.Aug.24 
         -584245.2     -619520.1    22.280       0.0
         46.132899      4.697551    -10.754189   -106.217883
        1800.00
 aluminum silica,cr  Al2SiO5   
 need abbrev         Al(2)O(5)Si(1)
 JA98                13.Aug.24 
         -584115.0     -620060.0    20.032       0.0
         50.857168      3.705052     -9.647450   -208.937446
        1800.00
 aluminum silica,cr  Al2SiO5   
 need abbrev         Al(2)O(5)Si(1)
 JA98                13.Aug.24 
         -583746.2     -618810.0    22.987       0.0
         45.050025      5.795064     -9.875966   -112.677805
        1800.00
 aluminum sulfid,cr  Al2S3     
 need abbrev         Al(2)S(3) 
 JA98                13.Aug.24 
         -153043.7     -155599.9    27.927       0.0
         36.675271      1.025458     -1.519016   -175.170049
        1500.00
 chiolite,cr         Na5Al3F14 
 need abbrev         Al(3)F(14)Na(5)
 JA98                13.Aug.24 
        -1720924.5    -1812000.0   115.570       0.0
        108.881515     25.533831    -21.454481    278.040883
        1500.00
 beryllium alumi,cr  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
 aluminum silica,cr  Al6Si2O13 
 need abbrev         Al(6)O(13)Si(2)
 JA98                13.Aug.24 
        -1539625.5    -1629830.1    65.700       0.0
        168.666460     -3.309213    -12.505834  -1311.067668
        1800.00
 boron, beta-rho,cr  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  KBF4      
 need abbrev         B(1)F(4)K(1)
 JA98                13.Aug.24 
         -426615.2     -451000.0    32.000       0.0
         -9.609213     19.948364    -21.056912    942.375933
        1500.00
 boric acid,cr       HBO2      
 need abbrev         B(1)H(1)O(2)
 JA98                13.Aug.24 
         -175667.8     -191870.0    11.700       0.0
         64.330464     -8.883322     13.775362  -1105.691434
        1500.00
 boric acid,cr       H3BO3     
 need abbrev         B(1)H(3)O(3)
 JA98                13.Aug.24 
         -231481.8     -261469.9    21.210       0.0
         71.672817     -0.331343      8.232982  -1059.272626
        1500.00
 potassium tetra,cr  KBH4      
 need abbrev         B(1)H(4)K(1)
 JA98                13.Aug.24 
          -38178.3      -54229.9    25.480       0.0
         57.446552     -5.367810      9.931884   -757.538391
        1800.00
 lithium tetrahy,cr  LiBH4     
 need abbrev         B(1)H(4)Li(1)
 JA98                13.Aug.24 
          -29811.9      -45522.0    18.120       0.0
         45.396526     -3.221692      1.981912   -465.883279
        1800.00
 sodium tetrahyd,cr  NaBH4     
 need abbrev         B(1)H(4)Na(1)
 JA98                13.Aug.24 
          -30368.1      -45849.9    24.232       0.0
         67.634949     -7.163826     10.899677   -984.868224
        1800.00
 potassium borat,cr  KBO2      
 need abbrev         B(1)K(1)O(2)
 JA98                13.Aug.24 
         -223856.6     -237800.0    19.116       0.0
         45.507320     -3.005615      3.942559   -570.091531
        1800.00
 lithium borate,cr   LiBO2     
 need abbrev         B(1)Li(1)O(2)
 JA98                13.Aug.24 
         -230179.3     -243599.9    12.364       0.0
         11.256158     13.555162     -3.027747     43.887588
        1800.00
 boron nitride,cr    BN        
 need abbrev         B(1)N(1)  
 JA98                13.Aug.24 
          -53781.5      -59969.9     3.536       0.0
         24.878772     -2.239260      2.700479   -388.861990
        1800.00
 sodium borate,cr    NaBO2     
 need abbrev         B(1)Na(1)O(2)
 JA98                13.Aug.24 
         -219739.2     -233200.0    17.576       0.0
         45.277958     -3.018151      4.032580   -572.329166
        1800.00
 titanium boride,cr  TiB       
 need abbrev         B(1)Ti(1) 
 JA98                13.Aug.24 
          -38167.1      -38300.0     8.300       0.0
         12.620417     -0.047767     -5.563638     12.404711
        1800.00
 beryllium borat,cr  Be3B2O6   
 need abbrev         B(2)Be(3)O(6)
 JA98                13.Aug.24 
         -702409.9     -741960.1    24.000       0.0
        165.382236    -17.206277     21.343211  -2604.807418
        1800.00
 dihydroxyborane,cr  (B(OH)2)2 
 need abbrev         B(2)H(4)O(4)
 JA98                13.Aug.24 
         -297351.3     -337099.9    30.000       0.0
        102.468306     -0.494041     11.787186  -1515.047840
        1500.00
 magnesium borid,cr  MgB2      
 need abbrev         B(2)Mg(1) 
 JA98                13.Aug.24 
          -21384.6      -21979.9     8.600       0.0
         10.704817      5.729399     -2.390468     29.354128
        1800.00
 boron oxide,cr      B2O3      
 need abbrev         B(2)O(3)  
 JA98                13.Aug.24 
         -285085.1     -304000.0    12.895       0.0
         44.116694      1.704615      1.525741   -541.939779
        1500.00
 lead borate,cr      PbB2O4    
 need abbrev         B(2)O(4)Pb(1)
 JA98                13.Aug.24 
         -346616.9     -372000.0    31.200       0.0
         99.950911     -7.420503     11.094308  -1460.842061
        1800.00
 titanium boride,cr  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  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
 trifluoroboroxi,cr  B3O3F3    
 need abbrev         B(3)F(3)O(3)
 JA98                13.Aug.24 
         -557152.5     -586500.0    52.000       0.0
        127.986699    -12.544295     21.557979  -2044.557989
        1500.00
 boroxin,cr          B3H3O3    
 need abbrev         B(3)H(3)O(3)
 JA98                13.Aug.24 
         -276482.6     -301700.0    40.000       0.0
        145.269211    -17.035527     26.629475  -2531.684148
        1800.00
 potassium borat,cr  K2B4O7    
 need abbrev         B(4)K(2)O(7)
 JA98                13.Aug.24 
         -749702.7     -796900.1    49.800       0.0
        109.151636     -5.628238     -1.642948  -1121.562275
        1500.00
 lithium borate,cr   Li2B4O7   
 need abbrev         B(4)Li(2)O(7)
 JA98                13.Aug.24 
         -757717.7     -803599.9    37.200       0.0
         67.997197     24.521460      6.107376   -667.520029
        1800.00
 magnesium borid,cr  MgB4      
 need abbrev         B(4)Mg(1) 
 JA98                13.Aug.24 
          -24809.0      -25099.9    12.410       0.0
         44.078502      1.417315      5.652548   -586.904073
        1800.00
 sodium borate,cr    Na2B4O7   
 need abbrev         B(4)Na(2)O(7)
 JA98                13.Aug.24 
         -736501.4     -783159.9    45.289       0.0
         66.510531     12.115681     -3.924409   -362.823542
        1800.00
 lead borate,cr      PbB4O7    
 need abbrev         B(4)O(7)Pb(1)
 JA98                13.Aug.24 
         -637451.2     -683000.0    39.900       0.0
        176.595041    -14.224614     22.150014  -2711.297969
        1800.00
 potassium borat,cr  K2B6O10   
 need abbrev         B(6)K(2)O(10)
 JA98                13.Aug.24 
        -1040524.4    -1107440.0    60.000       0.0
        215.285596    -15.241068     42.909124  -3385.688411
        1800.00
 lithium borate,cr   Li2B6O10  
 need abbrev         B(6)Li(2)O(10)
 JA98                13.Aug.24 
        -1047423.8    -1113740.0    45.000       0.0
        126.029578      4.075172      6.919618  -1122.678066
        1800.00
 sodium borate,cr    Na2B6O10  
 need abbrev         B(6)Na(2)O(10)
 JA98                13.Aug.24 
        -1028386.2    -1094760.0    55.500       0.0
        272.863237    -24.170592     52.461906  -4595.338484
        1800.00
 lead borate,cr      PbB6O10   
 need abbrev         B(6)O(10)Pb(1)
 JA98                13.Aug.24 
         -937285.6    -1003000.0    48.600       0.0
        324.363440    -41.605501     53.738275  -5475.206425
        1800.00
 potassium borat,cr  K2B8O13   
 need abbrev         B(8)K(2)O(13)
 JA98                13.Aug.24 
        -1334286.1    -1420919.9    70.200       0.0
        270.918662    -12.982610     47.254210  -4200.287967
        1800.00
 lithium borate,cr   Li2B8O13  
 need abbrev         B(8)Li(2)O(13)
 JA98                13.Aug.24 
        -1329980.2    -1413570.0    63.400       0.0
        137.742936      8.048469    -18.937634   -710.507487
        1800.00
 decaborane,cr       B10H14    
 need abbrev         B(10)H(14)
 JA98                13.Aug.24 
           49860.7       -6900.1    42.200       0.0
        163.588159      4.142509     -4.192979  -1846.163443
        1500.00
 lead borate,cr      Pb2B10O17 
 need abbrev         B(10)O(17)Pb(2)
 JA98                13.Aug.24 
        -1581484.7    -1694000.0    84.300       0.0
        479.869494    -49.812200     71.141401  -7726.017280
        1800.00
 barium,cr           Ba        
 need abbrev         Ba(1)     
 JA98                13.Aug.24 
               0.0           0.0    14.932       0.0
          6.971199     -0.405980     -6.431475    117.387438
        1500.00
 barium bromide,cr   BaBr2     
 need abbrev         Ba(1)Br(2)
 JA98                13.Aug.24 
         -176386.2     -181099.9    35.500       0.0
         16.861959      5.169175     -0.001271      0.087348
        1500.00
 barium chloride,cr  BaCl2     
 need abbrev         Ba(1)Cl(2)
 JA98                13.Aug.24 
         -193664.0     -205200.0    29.557       0.0
         40.934634      3.509061     14.432219   -687.535413
        1800.00
 barium fluoride,cr  BaF2      
 need abbrev         Ba(1)F(2) 
 JA98                13.Aug.24 
         -276866.6     -288900.1    23.039       0.0
        188.026954    -39.155487     65.754526  -4002.183717
        1800.00
 barium hydroxid,cr  Ba(OH)2   
 need abbrev         Ba(1)H(2)O(2)
 JA98                13.Aug.24 
         -205419.7     -226169.9    25.600       0.0
          9.673844     13.840870     -7.757696    331.507191
        1000.00
 barium iodide,cr    BaI2      
 need abbrev         Ba(1)I(2) 
 JA98                13.Aug.24 
         -143739.7     -144700.0    39.470       0.0
         17.096111      4.801462      0.017905     -0.446891
        1500.00
 barium oxide,cr     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
 barium sulfide,cr   BaS       
 need abbrev         Ba(1)S(1) 
 JA98                13.Aug.24 
         -109650.1     -110800.0    18.737       0.0
         13.076219      1.535713     -0.231194    -25.605352
        1800.00
 beryllium,cr        Be        
 need abbrev         Be(1)     
 JA98                13.Aug.24 
               0.0           0.0     2.256       0.0
         11.272009     -0.342302      0.732576   -138.462037
        1800.00
 beryllium bromi,cr  BeBr2     
 need abbrev         Be(1)Br(2)
 JA98                13.Aug.24 
          -80636.7      -85000.0    24.000       0.0
         24.185929      0.526517     -0.065378   -146.916183
        1500.00
 beryllium chlor,cr  BeCl2     
 need abbrev         Be(1)Cl(2)
 JA98                13.Aug.24 
         -106657.3     -117335.1    19.760       0.0
         22.177627     -0.207154     -3.273181    -51.022255
        1500.00
 beryllium chlor,cr  BeCl2     
 need abbrev         Be(1)Cl(2)
 JA98                13.Aug.24 
         -107433.3     -118599.9    18.120       0.0
         29.667811     -1.726489      0.901307   -263.096655
        1500.00
 beryllium fluor,cr  BeF2      
 need abbrev         Be(1)F(2) 
 JA98                13.Aug.24 
         -234078.6     -245400.1    12.752       0.0
        -30.781256     19.963862    -18.730483   1004.934635
        1300.00
 lithium trifluo,cr  LiBeF3    
 need abbrev         Be(1)F(3)Li(1)
 JA98                13.Aug.24 
         -376738.3     -394800.0    21.330       0.0
         13.000267     29.999920      0.000130     -0.006282
        1200.00
 lithium tetrafl,cr  Li2BeF4   
 need abbrev         Be(1)F(4)Li(2)
 JA98                13.Aug.24 
         -518986.1     -543400.1    31.210       0.0
         21.710495     35.634832      0.001339     -0.157420
        1500.00
 beryllium hydro,cr  Be(OH)2   
 need abbrev         Be(1)H(2)O(2)
 JA98                13.Aug.24 
         -195012.7     -215800.0    12.800       0.0
         35.537792      0.176002     -4.118315   -263.641568
        1000.00
 beryllium hydro,cr  Be(OH)2   
 need abbrev         Be(1)H(2)O(2)
 JA98                13.Aug.24 
         -195474.2     -216500.0    12.000       0.0
         35.537792      0.176002     -4.118315   -263.641568
        1000.00
 beryllium iodid,cr  BeI2      
 need abbrev         Be(1)I(2) 
 JA98                13.Aug.24 
          -44737.8      -45099.9    28.800       0.0
         23.066347     -0.169898     -3.282103    -49.410913
        1500.00
 beryllium oxide,cr  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 oxide,cr  BeO       
 need abbrev         Be(1)O(1) 
 JA98                13.Aug.24 
         -137000.2     -143800.0     3.965       0.0
         16.642763      0.005688     -1.727656   -148.621817
        1800.00
 beryllium sulfa,cr  BeSO4     
 need abbrev         Be(1)O(4)S(1)
 JA98                13.Aug.24 
         -260361.9     -287000.0    18.636       0.0
        109.153040     -8.260280     24.675350  -1961.262960
        1800.00
 beryllium sulfa,cr  BeSO4     
 need abbrev         Be(1)O(4)S(1)
 JA98                13.Aug.24 
         -260187.4     -286734.0    18.943       0.0
        109.153040     -8.260280     24.675350  -1961.262960
        1800.00
 beryllium sulfa,cr  BeSO4     
 need abbrev         Be(1)O(4)S(1)
 JA98                13.Aug.24 
         -257048.5     -282060.9    24.088       0.0
        109.153040     -8.260280     24.675350  -1961.262960
        1800.00
 beryllium tungs,cr  BeWO4     
 need abbrev         Be(1)O(4)W(1)
 JA98                13.Aug.24 
         -335759.6     -361700.0    21.120       0.0
         29.551748      9.534717     -4.824763    -64.497384
        1800.00
 beryllium sulfi,cr  BeS       
 need abbrev         Be(1)S(1) 
 JA98                13.Aug.24 
          -55681.6      -56000.0     8.850       0.0
         18.998056     -0.092651     -1.682171   -154.363833
        1800.00
 beryllium silic,cr  Be2SiO4   
 need abbrev         Be(2)O(4)Si(1)
 JA98                13.Aug.24 
         -478679.3     -506028.9    15.342       0.0
         76.069496     -6.081927      0.774912   -903.556974
        1800.00
 beryllium nitri,cr  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
 ammonium bromid,cr  NH4Br     
 need abbrev         Br(1)H(4)N(1)
 JA98                13.Aug.24 
          -42066.7      -64900.1    26.970       0.0
         75.579135      2.873336     26.696523  -1467.932708
        1500.00
 potassium bromi,cr  KBr       
 need abbrev         Br(1)K(1) 
 JA98                13.Aug.24 
          -90925.2      -94120.0    22.930       0.0
          1.817463      9.999668     -0.432590    142.386103
        1500.00
 lithium bromide,cr  LiBr      
 need abbrev         Br(1)Li(1)
 JA98                13.Aug.24 
          -81651.5      -83870.0    17.700       0.0
         42.031737     -3.695047     10.790405   -712.268367
        1800.00
 sodium bromide,cr   NaBr      
 need abbrev         Br(1)Na(1)
 JA98                13.Aug.24 
          -83476.8      -86380.0    20.750       0.0
         10.614755      3.236753     -0.695910     25.727855
        1800.00
 calcium bromide,cr  CaBr2     
 need abbrev         Br(2)Ca(1)
 JA98                13.Aug.24 
         -158733.0     -163300.0    31.000       0.0
         -9.770557     14.440666     -7.350243    546.509827
        1500.00
 iron bromide,cr     FeBr2     
 need abbrev         Br(2)Fe(1)
 JA98                13.Aug.24 
          -56730.9      -59500.0    33.620       0.0
         17.588818      5.320266     -0.000767      0.031112
        1500.00
 mercury bromide,cr  HgBr2     
 need abbrev         Br(2)Hg(1)
 JA98                13.Aug.24 
          -36372.6      -40500.0    40.706       0.0
         15.897090      7.005205     -0.006301      0.378318
        1500.00
 mercury bromide,cr  Hg2Br2    
 need abbrev         Br(2)Hg(2)
 JA98                13.Aug.24 
          -42706.5      -48800.0    52.283       0.0
         31.957868      0.744683     -0.531986   -113.790032
        1500.00
 magnesium bromi,cr  MgBr2     
 need abbrev         Br(2)Mg(1)
 JA98                13.Aug.24 
         -120473.9     -125300.0    28.000       0.0
          8.890381      6.760851     -3.576352    183.186131
        1500.00
 molybdenum brom,cr  MoBr2     
 need abbrev         Br(2)Mo(1)
 JA98                13.Aug.24 
          -44500.2      -48500.0    29.800       0.0
         18.299044      2.500206     -0.000668      0.024212
        1800.00
 lead bromide,cr     PbBr2     
 need abbrev         Br(2)Pb(1)
 JA98                13.Aug.24 
          -62319.1      -66300.0    38.511       0.0
         18.852640      9.198858      2.599729    -94.873908
        1000.00
 strontium bromi,cr  SrBr2     
 need abbrev         Br(2)Sr(1)
 JA98                13.Aug.24 
         -167006.5     -171599.9    34.283       0.0
         66.486886     -5.579010     20.059963  -1186.207538
        1500.00
 titanium bromid,cr  TiBr2     
 need abbrev         Br(2)Ti(1)
 JA98                13.Aug.24 
          -91584.1      -96900.1    25.900       0.0
         17.989470      2.740132     -0.000297      0.013097
        1500.00
 zirconium bromi,cr  ZrBr2     
 need abbrev         Br(2)Zr(1)
 JA98                13.Aug.24 
          -91342.7      -96700.0    27.700       0.0
         19.909558      2.740149     -0.000029      0.009026
        1500.00
 molybdenum brom,cr  MoBr3     
 need abbrev         Br(3)Mo(1)
 JA98                13.Aug.24 
          -61925.2      -67800.0    41.700       0.0
         24.142198      3.499418      0.001205     -0.054003
        1500.00
 titanium bromid,cr  TiBr3     
 need abbrev         Br(3)Ti(1)
 JA98                13.Aug.24 
         -125612.1     -131500.0    42.171       0.0
         90.660627     -7.281418     20.905841  -1513.800673
        1500.00
 zirconium bromi,cr  ZrBr3     
 need abbrev         Br(3)Zr(1)
 JA98                13.Aug.24 
         -145221.6     -152000.0    41.122       0.0
         26.180497     -0.128454     -1.095746    -19.472893
        1800.00
 molybdenum brom,cr  MoBr4     
 need abbrev         Br(4)Mo(1)
 JA98                13.Aug.24 
          -63876.9      -72700.0    50.000       0.0
         33.119539      3.350193      0.569268    -51.008217
        1000.00
 titanium bromid,cr  TiBr4     
 need abbrev         Br(4)Ti(1)
 JA98                13.Aug.24 
         -141176.1     -147700.0    58.227       0.0
         28.835189      0.825157     -1.782281     77.986094
        1500.00
 zirconium bromi,cr  ZrBr4     
 need abbrev         Br(4)Zr(1)
 JA98                13.Aug.24 
         -173349.2     -181800.0    53.702       0.0
         29.084679      2.884864     -2.196578     40.655242
        1000.00
 niobium bromide,cr  NbBr5     
 need abbrev         Br(5)Nb(1)
 JA98                13.Aug.24 
         -121626.9     -132900.1    61.850       0.0
         35.349904      0.000000      0.000000      0.000000
         800.00
 tungsten bromid,cr  WBr5      
 need abbrev         Br(5)W(1) 
 JA98                13.Aug.24 
          -64437.1      -74500.0    65.000       0.0
         30.298845     23.834733      0.007674     -4.488127
        1000.00
 tungsten bromid,cr  WBr6      
 need abbrev         Br(6)W(1) 
 JA98                13.Aug.24 
          -69495.5      -82000.0    75.000       0.0
         35.606287     25.997643      0.001988     -0.132705
        1000.00
 niobium carbide,cr  NbC0.98   
 need abbrev         C(0).(98)Nb(1)
 JA98                13.Aug.24 
          -32692.4      -33200.0     8.357       0.0
         13.789437      0.650371     -1.708473    -58.838169
        1800.00
 boron carbide,cr    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  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
 copper cyanide,cr   CuCN      
 need abbrev         C(1)Cu(1)N(1)
 JA98                13.Aug.24 
           25885.8       22700.0    21.511       0.0
         16.473860      4.298934     -1.119330    -30.866126
        1000.00
 potassium cyani,cr  KCN       
 need abbrev         C(1)K(1)N(1)
 JA98                13.Aug.24 
          -24381.2      -27120.0    30.540       0.0
         15.926612      0.068316      0.086709     -3.075120
        1800.00
 potassium carbo,cr  K2CO3     
 need abbrev         C(1)K(2)O(3)
 JA98                13.Aug.24 
         -254428.3     -274900.1    37.170       0.0
         22.684323     22.282773     -2.516081     14.321654
        1800.00
 lithium carbona,cr  Li2CO3    
 need abbrev         C(1)Li(2)O(3)
 JA98                13.Aug.24 
         -270583.2     -290640.1    21.551       0.0
        118.362066     -8.136012     26.756753  -2118.810836
        1800.00
 magnesium carbo,cr  MgCO3     
 need abbrev         C(1)Mg(1)O(3)
 JA98                13.Aug.24 
         -245727.5     -265700.0    15.739       0.0
         49.777039      1.025890      3.640850   -620.837471
        1000.00
 sodium cyanide,cr   NaCN      
 need abbrev         C(1)N(1)Na(1)
 JA98                13.Aug.24 
               nan      999999.0    28.314       0.0
         16.327773      0.246192      0.044199     -0.838189
        1800.00
 sodium carbonat,cr  Na2CO3    
 need abbrev         C(1)Na(2)O(3)
 JA98                13.Aug.24 
         -250480.2     -270260.0    33.173       0.0
         55.421895      5.571494     -0.424544   -523.049158
        1800.00
 silicon carbide,cr  SiC       
 need abbrev         C(1)Si(1) 
 JA98                13.Aug.24 
          -16524.6      -17099.9     3.940       0.0
         16.944378     -0.206098     -1.047221   -160.808429
        1800.00
 silicon carbide,cr  SiC       
 need abbrev         C(1)Si(1) 
 JA98                13.Aug.24 
          -16933.6      -17500.0     3.970       0.0
         17.675177     -0.441462     -0.812115   -176.458589
        1800.00
 tantalum carbid,cr  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  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  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
 chromium carbid,cr  Cr3C2     
 need abbrev         C(2)Cr(3) 
 JA98                13.Aug.24 
          -20620.7      -20400.1    20.419       0.0
         22.582957      8.187055     -9.208217    155.566593
        1800.00
 lithium carbide,cr  Li2C2     
 need abbrev         C(2)Li(2) 
 JA98                13.Aug.24 
          -13410.9      -14200.0    14.000       0.0
         24.331286      2.441534     -7.079398      0.065781
        1800.00
 magnesium carbi,cr  MgC2      
 need abbrev         C(2)Mg(1) 
 JA98                13.Aug.24 
           20270.3       21000.0    13.000       0.0
         17.013435      1.542534     -3.585920     -0.008138
        1800.00
 aluminum carbid,cr  Al4C3     
 need abbrev         C(3)Al(4) 
 JA98                13.Aug.24 
          -48603.3      -51550.0    21.264       0.0
         55.031065     -0.571959     -4.578789   -376.491417
        1800.00
 chromium carbid,cr  Cr7C3     
 need abbrev         C(3)Cr(7) 
 JA98                13.Aug.24 
          -39713.4      -38400.1    48.036       0.0
         39.628755     20.620371    -15.167781    368.836284
        1800.00
 magnesium carbi,cr  Mg2C3     
 need abbrev         C(3)Mg(2) 
 JA98                13.Aug.24 
           17727.8       19000.0    24.000       0.0
         28.400018      2.553686     -5.970344     -0.589693
        1800.00
 chromium carbid,cr  Cr23C6    
 need abbrev         C(6)Cr(23)
 JA98                13.Aug.24 
          -80949.6      -78500.0   146.282       0.0
         87.251225     71.425483    -53.520362   1751.621363
        1800.00
 calcium, alpha,cr   Ca        
 need abbrev         Ca(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.940       0.0
          3.080565      5.712179      0.473308     15.270783
        1100.00
 calcium, beta,cr    Ca        
 need abbrev         Ca(1)     
 JA98                13.Aug.24 
             146.7         252.4    10.294       0.0
         -7.759786     10.187732     -2.034613    228.095911
        1500.00
 calcium chlorid,cr  CaCl2     
 need abbrev         Ca(1)Cl(2)
 JA98                13.Aug.24 
         -178793.7     -190200.0    25.000       0.0
          2.240385      9.648139     -3.777454    285.969463
        1800.00
 calcium fluorid,cr  CaF2      
 need abbrev         Ca(1)F(2) 
 JA98                13.Aug.24 
         -280472.3     -293000.0    16.389       0.0
        -15.601841     18.041196     -9.082574    635.898772
        1800.00
 calcium hydroxi,cr  Ca(OH)2   
 need abbrev         Ca(1)H(2)O(2)
 JA98                13.Aug.24 
         -214727.8     -235680.0    19.930       0.0
         20.651826      5.696233     -5.209667     76.398964
        1000.00
 calcium iodide,cr   CaI2      
 need abbrev         Ca(1)I(2) 
 JA98                13.Aug.24 
         -127413.2     -128300.0    34.724       0.0
         17.027707      4.717482     -0.010540      0.316254
        1500.00
 calcium oxide,cr    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
 calcium sulfide,cr  CaS       
 need abbrev         Ca(1)S(1) 
 JA98                13.Aug.24 
         -111885.5     -113099.9    13.528       0.0
         14.139099      0.378796     -0.007720    -50.271642
        1800.00
 cesium chloride,cr  CsCl      
 need abbrev         Cl(1)Cs(1)
 JA98                13.Aug.24 
          -99034.4     -105840.1    24.183       0.0
         23.357109     -1.080556      1.994697   -220.582082
        1800.00
 copper chloride,cr  CuCl      
 need abbrev         Cl(1)Cu(1)
 JA98                13.Aug.24 
          -28890.1      -33000.0    20.800       0.0
         12.054601      1.547759     -4.668763     75.119003
        1500.00
 ammonium chlori,cr  NH4Cl     
 need abbrev         Cl(1)H(4)N(1)
 JA98                13.Aug.24 
          -48540.2      -75180.0    22.672       0.0
         30.062458     14.779813      7.364623   -373.212279
        1500.00
 ammonium perchl,cr  NH4ClO4   
 need abbrev         Cl(1)H(4)N(1)O(4)
 JA98                13.Aug.24 
          -21177.6      -70690.0    44.020       0.0
         89.000244     23.909436     20.162387  -1521.166257
        1500.00
 iodine chloride,cr  ICl       
 need abbrev         Cl(1)I(1) 
 JA98                13.Aug.24 
           -3357.8       -8466.1    23.405       0.0
         25.799744      1.325437      2.218743   -267.083065
        1000.00
 potassium chlor,cr  KCl       
 need abbrev         Cl(1)K(1) 
 JA98                13.Aug.24 
          -97696.2     -104370.0    19.731       0.0
         -1.760480     11.068673     -1.852605    221.641277
        1500.00
 potassium perch,cr  KClO4     
 need abbrev         Cl(1)K(1)O(4)
 JA98                13.Aug.24 
          -71769.1     -102800.0    36.100       0.0
         52.077494      6.865582     -5.399751   -370.102362
        1500.00
 lithium chlorid,cr  LiCl      
 need abbrev         Cl(1)Li(1)
 JA98                13.Aug.24 
          -91782.7      -97577.9    14.173       0.0
         10.468025      4.932121     -0.361844     -0.862765
        1800.00
 lithium perchlo,cr  LiClO4    
 need abbrev         Cl(1)Li(1)O(4)
 JA98                13.Aug.24 
          -60686.2      -91000.0    30.000       0.0
         42.265983      6.532267     -7.492692   -184.788543
        1500.00
 sodium chloride,cr  NaCl      
 need abbrev         Cl(1)Na(1)
 JA98                13.Aug.24 
          -91783.9      -98260.0    17.236       0.0
          0.791408      9.240295     -1.715954    180.829189
        1500.00
 sodium perchlor,cr  NaClO4    
 need abbrev         Cl(1)Na(1)O(4)
 JA98                13.Aug.24 
          -60764.8      -91479.9    34.000       0.0
         47.138257      6.849451     -5.885239   -275.716572
        1500.00
 cobalt chloride,cr  CoCl2     
 need abbrev         Cl(2)Co(1)
 JA98                13.Aug.24 
          -64447.2      -74700.0    26.115       0.0
         22.171636      0.609026     -0.504744    -52.133876
        1500.00
 copper chloride,cr  CuCl2     
 need abbrev         Cl(2)Cu(1)
 JA98                13.Aug.24 
          -38642.4      -49200.0    25.833       0.0
         20.944059      0.622387     -0.562745    -57.424915
        1500.00
 iron chloride,cr    FeCl2     
 need abbrev         Cl(2)Fe(1)
 JA98                13.Aug.24 
          -72261.5      -81700.0    28.190       0.0
         26.229537     -0.631594      1.021284   -152.830476
        1800.00
 mercury chlorid,cr  HgCl2     
 need abbrev         Cl(2)Hg(1)
 JA98                13.Aug.24 
          -43982.3      -55000.0    34.535       0.0
         20.993139      2.988802      0.568696    -83.790813
        1500.00
 mercury chlorid,cr  Hg2Cl2    
 need abbrev         Cl(2)Hg(2)
 JA98                13.Aug.24 
          -50307.1      -63319.1    46.017       0.0
         33.772191      1.159831      1.525536   -197.780779
        1500.00
 magnesium chlor,cr  MgCl2     
 need abbrev         Cl(2)Mg(1)
 JA98                13.Aug.24 
         -141512.2     -153349.9    21.422       0.0
         16.881358      2.924116     -1.805809     23.195181
        1800.00
 nickel chloride,cr  NiCl2     
 need abbrev         Cl(2)Ni(1)
 JA98                13.Aug.24 
          -61849.7      -72880.0    23.460       0.0
        -65.095027     31.725926    -26.564581   1767.613460
        1800.00
 tungsten chlori,cr  WO2Cl2    
 need abbrev         Cl(2)O(2)W(1)
 JA98                13.Aug.24 
         -167968.7     -186500.0    48.000       0.0
         89.247093    -10.436915     14.251162  -1332.736186
        1000.00
 lead chloride,cr    PbCl2     
 need abbrev         Cl(2)Pb(1)
 JA98                13.Aug.24 
          -75076.7      -85900.1    32.500       0.0
         16.300554      6.934422     -0.047751      1.930172
        1500.00
 strontium chlor,cr  SrCl2     
 need abbrev         Cl(2)Sr(1)
 JA98                13.Aug.24 
         -186416.1     -198099.9    27.440       0.0
         81.908438     -8.973301     25.864276  -1550.440131
        1800.00
 titanium chlori,cr  TiCl2     
 need abbrev         Cl(2)Ti(1)
 JA98                13.Aug.24 
         -111335.8     -123200.0    20.876       0.0
         14.736189      4.770373     -1.467154     37.513897
        1800.00
 tungsten chlori,cr  WCl2      
 need abbrev         Cl(2)W(1) 
 JA98                13.Aug.24 
          -52578.4      -61500.0    31.200       0.0
         17.056222      5.227473      0.006250     -0.373519
        1800.00
 zirconium chlor,cr  ZrCl2     
 need abbrev         Cl(2)Zr(1)
 JA98                13.Aug.24 
          -92175.0     -103000.0    26.300       0.0
         26.025479     -0.187357      1.300126   -173.685634
        1500.00
 iron chloride,cr    FeCl3     
 need abbrev         Cl(3)Fe(1)
 JA98                13.Aug.24 
          -79811.2      -95460.1    34.019       0.0
         62.180001     -8.359922      3.384226   -698.712482
        1500.00
 titanium chlori,cr  TiCl3     
 need abbrev         Cl(3)Ti(1)
 JA98                13.Aug.24 
         -156421.8     -172500.0    33.401       0.0
         23.745131      2.370800     -0.132452    -18.737359
        1500.00
 zirconium chlor,cr  ZrCl3     
 need abbrev         Cl(3)Zr(1)
 JA98                13.Aug.24 
         -154475.9     -170700.0    34.850       0.0
         29.103052      1.167685     -0.004479   -111.210880
        1800.00
 molybdenum chlo,cr  MoCl4     
 need abbrev         Cl(4)Mo(1)
 JA98                13.Aug.24 
          -96119.5     -114000.0    53.500       0.0
         58.997600      0.583348      8.670850   -653.830295
        1500.00
 tungsten chlori,cr  OWCl4     
 need abbrev         Cl(4)O(1)W(1)
 JA98                13.Aug.24 
         -131283.9     -160400.1    41.300       0.0
        114.593593    -18.453605     17.074804  -1611.292867
        1000.00
 titanium chlori,cr  TiCl4     
 need abbrev         Cl(4)Ti(1)
 JA98                13.Aug.24 
               nan      999999.0    49.969       0.0
         43.847861      0.569137     -1.630197   -194.115638
         500.00
 tungsten chlori,cr  WCl4      
 need abbrev         Cl(4)W(1) 
 JA98                13.Aug.24 
          -85912.0     -105900.1    47.400       0.0
         62.152594     -0.575601      9.507482   -718.114037
        1800.00
 zirconium chlor,cr  ZrCl4     
 need abbrev         Cl(4)Zr(1)
 JA98                13.Aug.24 
         -212714.9     -234349.9    43.360       0.0
         29.961335      3.333252     -1.978290     -1.754872
        1000.00
 molybdenum chlo,cr  MoCl5     
 need abbrev         Cl(5)Mo(1)
 JA98                13.Aug.24 
         -101214.9     -126000.0    57.000       0.0
        111.166396    -13.952394     15.898138  -1513.940701
        1000.00
 niobium chlorid,cr  NbCl5     
 need abbrev         Cl(5)Nb(1)
 JA98                13.Aug.24 
         -163513.6     -190599.9    51.160       0.0
         35.349904      0.000000      0.000000      0.000000
         700.00
 tantalum chlori,cr  TaCl5     
 need abbrev         Cl(5)Ta(1)
 JA98                13.Aug.24 
         -178405.4     -205300.0    53.000       0.0
         35.349904      0.000000      0.000000      0.000000
         700.00
 tungsten chlori,cr  WCl5      
 need abbrev         Cl(5)W(1) 
 JA98                13.Aug.24 
          -96035.1     -122599.9    52.000       0.0
        101.313022    -10.249334     13.129783  -1309.144550
        1500.00
 molybdenum chlo,cr  MoCl6     
 need abbrev         Cl(6)Mo(1)
 JA98                13.Aug.24 
          -93459.1     -125000.0    61.000       0.0
        102.635884    -13.045875      3.944282  -1060.870932
        1500.00
 tungsten chlori,cr  WCl6      
 need abbrev         Cl(6)W(1) 
 JA98                13.Aug.24 
         -108877.6     -141900.1    57.000       0.0
        173.415483    -40.146588     23.638418  -2522.861351
        1000.00
 tungsten chlori,cr  WCl6      
 need abbrev         Cl(6)W(1) 
 JA98                13.Aug.24 
         -106899.9     -136920.9    67.066       0.0
         45.000000      0.000000      0.000000      0.000000
        1500.00
 cobalt,cr           Co        
 need abbrev         Co(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.186       0.0
         44.190171     -7.707000     14.421197   -892.470763
        1800.00
 cobalt fluoride,cr  CoF2      
 need abbrev         Co(1)F(2) 
 JA98                13.Aug.24 
         -149751.9     -160500.0    19.605       0.0
         19.804037      0.620626     -3.140719      0.126793
        1800.00
 cobalt fluoride,cr  CoF3      
 need abbrev         Co(1)F(3) 
 JA98                13.Aug.24 
         -171819.6     -188900.1    22.600       0.0
         11.758496      5.472309     -5.640913    258.166276
        1500.00
 cobalt oxide,cr     CoO       
 need abbrev         Co(1)O(1) 
 JA98                13.Aug.24 
          -51144.4      -56820.0    12.666       0.0
          5.053949      4.160216     -0.938013    136.004076
        1800.00
 cobalt sulfate,cr   CoSO4     
 need abbrev         Co(1)O(4)S(1)
 JA98                13.Aug.24 
         -187000.0     -212300.0    28.054       0.0
         55.771888     -1.431296     -0.476364   -521.490484
        1800.00
 cobalt oxide,cr     Co3O4     
 need abbrev         Co(3)O(4) 
 JA98                13.Aug.24 
         -189978.7     -217500.0    27.315       0.0
        -15.637842     40.857781    -13.587798    832.147358
        1500.00
 chromium,cr         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 nitrid,cr  CrN       
 need abbrev         Cr(1)N(1) 
 JA98                13.Aug.24 
          -22177.3      -28000.0     9.013       0.0
         14.807797      0.749836      2.798622    -99.402905
        1800.00
 chromium nitrid,cr  Cr2N      
 need abbrev         Cr(2)N(1) 
 JA98                13.Aug.24 
          -24428.3      -30000.0    15.500       0.0
         10.552405      7.574716     -3.605159    121.761344
        1800.00
 chromium oxide,cr   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           Cs        
 need abbrev         Cs(1)     
 JA98                13.Aug.24 
               0.0           0.0    20.351       0.0
          3.657238      1.523100     -3.621324    132.415094
        1000.00
 cesium fluoride,cr  CsF       
 need abbrev         Cs(1)F(1) 
 JA98                13.Aug.24 
         -125568.1     -132570.0    21.100       0.0
         26.076981     -1.243054      4.325840   -312.598457
        1800.00
 cesium hydroxid,cr  CsOH      
 need abbrev         Cs(1)H(1)O(1)
 JA98                13.Aug.24 
          -88603.3      -99599.9    23.600       0.0
         51.407116    -13.338287      2.447558   -588.257528
        1000.00
 cesium sulfate,,cr  Cs2SO4    
 need abbrev         Cs(2)O(4)S(1)
 JA98                13.Aug.24 
         -312249.5     -337034.4    63.297       0.0
         13.739796     36.524890      9.159488   -153.223653
        1500.00
 cesium sulfate,,cr  Cs2SO4    
 need abbrev         Cs(2)O(4)S(1)
 JA98                13.Aug.24 
         -316241.6     -344800.0    50.640       0.0
          0.502476     46.394920     -3.353917    376.510430
        1200.00
 copper,cr           Cu        
 need abbrev         Cu(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.926       0.0
        -10.209906      7.062024     -4.687730    330.411170
        1800.00
 copper fluoride,cr  CuF       
 need abbrev         Cu(1)F(1) 
 JA98                13.Aug.24 
          -62032.7      -67000.0    15.500       0.0
         22.122995     -1.424087      0.936942   -178.795622
        1800.00
 copper fluoride,cr  CuF2      
 need abbrev         Cu(1)F(2) 
 JA98                13.Aug.24 
         -117505.3     -128800.0    18.511       0.0
         35.106687     -2.227462      1.950782   -362.148863
        1800.00
 copper hydroxid,cr  Cu(OH)2   
 need abbrev         Cu(1)H(2)O(2)
 JA98                13.Aug.24 
          -89067.9     -107640.1    25.900       0.0
         55.058359     -5.718274      7.982619   -683.001155
        1500.00
 copper oxide,cr     CuO       
 need abbrev         Cu(1)O(1) 
 JA98                13.Aug.24 
          -30662.5      -37300.0    10.180       0.0
         11.623327      1.772591     -1.815869     -0.210310
        1800.00
 copper sulfate,cr   CuSO4     
 need abbrev         Cu(1)O(4)S(1)
 JA98                13.Aug.24 
         -157930.4     -184030.1    26.112       0.0
         54.857251     -1.467348     -0.436021   -524.250094
        1800.00
 copper oxide,cr     Cu2O      
 need abbrev         Cu(2)O(1) 
 JA98                13.Aug.24 
          -35345.6      -40800.0    22.075       0.0
         -3.559911     10.972471     -7.274959    403.274837
        1800.00
 copper oxide su,cr  CuO.CuSO4 
 need abbrev         Cu(2)O(5)S(1)
 JA98                13.Aug.24 
         -189353.0     -221700.0    37.600       0.0
         56.944440      5.503243     -3.996738   -352.813221
        1500.00
 potassium fluor,cr  KF        
 need abbrev         F(1)K(1)  
 JA98                13.Aug.24 
         -128808.3     -135900.1    15.905       0.0
         20.785992      1.119320      3.695800   -232.894544
        1800.00
 lithium fluorid,cr  LiF       
 need abbrev         F(1)Li(1) 
 JA98                13.Aug.24 
         -140693.1     -147450.0     8.523       0.0
         13.747143      2.929302     -0.205979    -75.446122
        1800.00
 sodium fluoride,cr  NaF       
 need abbrev         F(1)Na(1) 
 JA98                13.Aug.24 
         -130277.5     -137520.1    12.240       0.0
         15.456606      2.752930      1.935873   -123.934591
        1800.00
 iron fluoride,cr    FeF2      
 need abbrev         F(2)Fe(1) 
 JA98                13.Aug.24 
         -158501.0     -168700.0    20.790       0.0
         27.104999     -1.241522      1.059231   -201.154051
        1800.00
 potassium fluor,cr  K(HF2)    
 need abbrev         F(2)H(1)K(1)
 JA98                13.Aug.24 
         -206284.7     -222570.0    24.920       0.0
         16.054011      1.350706    -11.109977    245.817535
        1800.00
 mercury fluorid,cr  HgF2      
 need abbrev         F(2)Hg(1) 
 JA98                13.Aug.24 
          -89420.2     -101000.0    27.800       0.0
         16.400141      5.000013      0.000182     -0.002937
        1800.00
 mercury fluorid,cr  Hg2F2     
 need abbrev         F(2)Hg(2) 
 JA98                13.Aug.24 
         -102162.8     -116000.0    38.400       0.0
         38.334267     -0.299309      2.728234   -298.806014
        1500.00
 magnesium fluor,cr  MgF2      
 need abbrev         F(2)Mg(1) 
 JA98                13.Aug.24 
         -256001.2     -268700.0    13.684       0.0
         22.297676      0.125300     -1.923441    -94.540037
        1800.00
 lead fluoride, ,cr  PbF2      
 need abbrev         F(2)Pb(1) 
 JA98                13.Aug.24 
         -150782.7     -161800.0    27.000       0.0
         11.634529      8.977126     -1.228064     74.997026
        1000.00
 lead fluoride, ,cr  PbF2      
 need abbrev         F(2)Pb(1) 
 JA98                13.Aug.24 
         -150650.1     -161565.5    27.342       0.0
         89.414125    -22.375002     13.092990  -1383.161101
        1500.00
 strontium fluor,cr  SrF2      
 need abbrev         F(2)Sr(1) 
 JA98                13.Aug.24 
         -278332.7     -290900.1    19.628       0.0
         84.836907     -5.889854     34.149520  -1789.594666
        1800.00
 zirconium fluor,cr  ZrF2      
 need abbrev         F(2)Zr(1) 
 JA98                13.Aug.24 
         -218146.3     -230000.0    18.000       0.0
         30.162546     -0.930824      2.801118   -298.032755
        1800.00
 iron fluoride,cr    FeF3      
 need abbrev         F(3)Fe(1) 
 JA98                13.Aug.24 
         -232383.6     -249000.0    23.500       0.0
         -9.341873     10.716913    -13.203323    756.207033
        1800.00
 titanium fluori,cr  TiF3      
 need abbrev         F(3)Ti(1) 
 JA98                13.Aug.24 
         -325493.3     -343099.9    21.000       0.0
         27.119082      4.337071      3.359378   -175.295018
        1800.00
 zirconium fluor,cr  ZrF3      
 need abbrev         F(3)Zr(1) 
 JA98                13.Aug.24 
         -316815.2     -335000.0    21.000       0.0
         37.430591     -2.380335      0.474610   -296.954569
        1500.00
 tungsten fluori,cr  WF4O      
 need abbrev         F(4)O(1)W(1)
 JA98                13.Aug.24 
         -310243.3     -336259.1    42.000       0.0
        125.979808    -23.049728     15.702993  -1810.461547
        1000.00
 titanium fluori,cr  TiF4      
 need abbrev         F(4)Ti(1) 
 JA98                13.Aug.24 
         -372652.2     -394200.0    32.016       0.0
         48.246897     -1.194201     -0.855970   -338.736187
        1500.00
 zirconium fluor,cr  ZrF4      
 need abbrev         F(4)Zr(1) 
 JA98                13.Aug.24 
         -432589.6     -456800.0    25.024       0.0
         29.041609      4.121224     -3.753623    -22.588578
        1400.00
 iron oxide, wus,cr  Fe0.947O  
 need abbrev         Fe(0).(947)O(1)
 JA98                13.Aug.24 
          -58590.6      -63640.1    13.764       0.0
         12.289434      1.798019     -0.459246    -13.876745
        1800.00
 iron sulfide, p,cr  Fe0.877S  
 need abbrev         Fe(0).(877)S(1)
 JA98                13.Aug.24 
          -25540.9      -25200.0    14.531       0.0
        -76.637331     28.969285    -33.361952   2022.111719
        1800.00
 iron, alpha-del,cr  Fe        
 need abbrev         Fe(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.530       0.0
         82.846137    -19.741026     23.933495  -1683.577744
        1800.00
 iron, gamma,cr      Fe        
 need abbrev         Fe(1)     
 JA98                13.Aug.24 
            1275.3        1861.4     8.495       0.0
          5.729989      2.000008     -0.000018      0.000604
        1800.00
 iron hydroxide,cr   Fe(OH)2   
 need abbrev         Fe(1)H(2)O(2)
 JA98                13.Aug.24 
         -117583.4     -137200.0    21.000       0.0
         57.463299     -6.214495      8.101499   -716.413627
        1500.00
 iron hydroxide,cr   Fe(OH)3   
 need abbrev         Fe(1)H(3)O(3)
 JA98                13.Aug.24 
         -168610.7     -199000.0    25.000       0.0
         75.323923     -5.214569      7.353804   -996.290766
        1500.00
 iron iodide,cr      FeI2      
 need abbrev         Fe(1)I(2) 
 JA98                13.Aug.24 
          -26702.9      -25000.0    40.000       0.0
        121.109247    -15.215924     44.461121  -2519.321191
        1500.00
 iron oxide,cr       FeO       
 need abbrev         Fe(1)O(1) 
 JA98                13.Aug.24 
          -60093.0      -65020.1    14.520       0.0
         16.091312      0.919693      0.789976    -91.744806
        1800.00
 iron sulfate,cr     FeSO4     
 need abbrev         Fe(1)O(4)S(1)
 JA98                13.Aug.24 
         -197150.8     -222000.0    28.909       0.0
         55.268053     -1.467564     -0.435751   -524.267632
        1800.00
 iron sulfide, t,cr  FeS       
 need abbrev         Fe(1)S(1) 
 JA98                13.Aug.24 
          -24367.4      -24300.0    14.417       0.0
       -124.230006     41.293828    -55.156661   3221.283053
        1800.00
 iron sulfide, m,cr  FeS2      
 need abbrev         Fe(1)S(2) 
 JA98                13.Aug.24 
          -37322.9      -40000.0    12.874       0.0
          9.100935      6.310426     -4.299033    151.380260
        1400.00
 iron sulfide, p,cr  FeS2      
 need abbrev         Fe(1)S(2) 
 JA98                13.Aug.24 
          -38255.3      -41000.0    12.647       0.0
          9.024818      6.337170     -4.225780    150.070389
        1400.00
 iron oxide, hem,cr  Fe2O3     
 need abbrev         Fe(2)O(3) 
 JA98                13.Aug.24 
         -177706.3     -197300.0    20.889       0.0
         61.452418     -9.056215     -4.950201   -496.569372
        1800.00
 iron sulfate,cr     Fe2(SO4)3 
 need abbrev         Fe(2)O(12)S(3)
 JA98                13.Aug.24 
         -540805.2     -617349.9    73.500       0.0
        145.448079     -3.858352     -1.153719  -1379.463427
        1800.00
 iron oxide, mag,cr  Fe3O4     
 need abbrev         Fe(3)O(4) 
 JA98                13.Aug.24 
         -243173.5     -267900.1    34.719       0.0
        114.390867    -24.028646     -7.072066  -1123.748336
        1800.00
 gallium,cr          Ga        
 need abbrev         Ga(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.761       0.0
        -12.812078     11.817032     -3.641027    338.584879
         500.00
 potassium hydri,cr  KH        
 need abbrev         H(1)K(1)  
 JA98                13.Aug.24 
          -12669.7      -13819.3    12.000       0.0
         24.407598     -1.257479      1.318067   -283.998794
        1500.00
 potassium hydro,cr  KOH       
 need abbrev         H(1)K(1)O(1)
 JA98                13.Aug.24 
          -90559.0     -101510.0    18.859       0.0
          8.600294      2.254276     -8.962975    280.012968
        1500.00
 lithium hydride,cr  LiH       
 need abbrev         H(1)Li(1) 
 JA98                13.Aug.24 
          -16359.2      -21659.9     4.789       0.0
          3.715555     12.621169     -0.696560     -0.251430
        1500.00
 lithium hydroxi,cr  LiOH      
 need abbrev         H(1)Li(1)O(1)
 JA98                13.Aug.24 
         -104913.5     -115900.1    10.234       0.0
         12.117627      7.975551     -2.454870      1.987543
        1500.00
 sodium hydride,cr   NaH       
 need abbrev         H(1)Na(1) 
 JA98                13.Aug.24 
           -8018.9      -13490.0     9.564       0.0
         26.635055     -1.787690      2.229666   -343.703756
        1500.00
 sodium hydroxid,cr  NaOH      
 need abbrev         H(1)Na(1)O(1)
 JA98                13.Aug.24 
          -90760.3     -101800.0    15.403       0.0
         38.651529     -6.213232     -2.084903   -354.266952
        1500.00
 magnesium hydri,cr  MgH2      
 need abbrev         H(2)Mg(1) 
 JA98                13.Aug.24 
           -8775.3      -18200.0     7.431       0.0
         35.855495     -3.114516      4.045710   -535.808456
        1800.00
 magnesium hydro,cr  Mg(OH)2   
 need abbrev         H(2)Mg(1)O(2)
 JA98                13.Aug.24 
         -199247.6     -221000.0    15.115       0.0
         29.252526      1.730183     -5.120911    -95.945301
        1000.00
 strontium hydro,cr  Sr(OH)2   
 need abbrev         H(2)O(2)Sr(1)
 JA98                13.Aug.24 
         -210587.5     -231570.0    23.200       0.0
          8.075953     31.918514     -0.093416      7.132451
        1000.00
 tungstic acid,cr    O2W(OH)2  
 need abbrev         H(2)O(4)W(1)
 JA98                13.Aug.24 
         -239939.1     -270500.0    34.600       0.0
        119.249246    -18.682721     16.873528  -1825.740358
        1000.00
 titanium hydrid,cr  TiH2      
 need abbrev         H(2)Ti(1) 
 JA98                13.Aug.24 
          -25113.0      -34500.0     7.101       0.0
         40.670361     -4.244532      4.907504   -651.820489
        1800.00
 phosphoric acid,cr  H3PO4     
 need abbrev         H(3)O(4)P(1)
 JA98                13.Aug.24 
         -268717.5     -306973.0    26.421       0.0
          3.806512     72.383318      0.016138     -1.004100
        1000.00
 ammonium iodide,cr  NH4I      
 need abbrev         H(4)I(1)N(1)
 JA98                13.Aug.24 
          -26760.5      -48300.0    27.000       0.0
         71.228631     -2.178584     17.994764  -1226.401164
        1800.00
 hafnium, alpha,cr   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
 hafnium, beta,cr    Hf        
 need abbrev         Hf(1)     
 JA98                13.Aug.24 
            3215.8        4466.1    14.604       0.0
          3.583495      2.206869     -0.000036      0.003421
        1800.00
 mercury iodide,cr   HgI2      
 need abbrev         Hg(1)I(2) 
 JA98                13.Aug.24 
          -24427.3      -25200.0    43.338       0.0
         13.871540      1.513556     -4.606536    163.020268
        1500.00
 mercury oxide,cr    HgO       
 need abbrev         Hg(1)O(1) 
 JA98                13.Aug.24 
          -13979.4      -21699.1    16.795       0.0
         24.381642     -2.100846      1.665404   -260.685753
        1000.00
 mercury iodide,cr   Hg2I2     
 need abbrev         Hg(2)I(2) 
 JA98                13.Aug.24 
          -26544.7      -28462.0    57.670       0.0
         31.879946      0.715204     -0.421755   -109.433338
        1500.00
 potassium iodid,cr  KI        
 need abbrev         I(1)K(1)  
 JA98                13.Aug.24 
          -77204.6      -78370.0    25.427       0.0
         36.140938     -2.685107      9.129701   -567.697648
        1800.00
 lithium iodide,cr   LiI       
 need abbrev         I(1)Li(1) 
 JA98                13.Aug.24 
          -64451.5      -64550.0    20.500       0.0
         40.941563     -4.223882      8.957313   -650.769383
        1800.00
 sodium iodide,cr    NaI       
 need abbrev         I(1)Na(1) 
 JA98                13.Aug.24 
          -68014.3      -68800.0    23.542       0.0
         12.267144      2.454250     -0.122721     -6.499161
        1800.00
 iodine,cr           I2        
 need abbrev         I(2)      
 JA98                13.Aug.24 
               0.0           0.0    27.759       0.0
         44.653481     18.808604     12.558340   -887.337101
         700.00
 magnesium iodid,cr  MgI2      
 need abbrev         I(2)Mg(1) 
 JA98                13.Aug.24 
          -86338.4      -87700.0    31.000       0.0
         21.347277      2.001423     -0.275588    -64.654864
        1500.00
 molybdenum iodi,cr  MoI2      
 need abbrev         I(2)Mo(1) 
 JA98                13.Aug.24 
          -25190.2      -24840.1    35.770       0.0
         18.869808      2.983029     -0.003436      0.204342
        1500.00
 lead iodide,cr      PbI2      
 need abbrev         I(2)Pb(1) 
 JA98                13.Aug.24 
          -41485.9      -41919.9    41.787       0.0
        -31.280124     31.822189     -7.352654    839.302078
        1000.00
 strontium iodid,cr  SrI2      
 need abbrev         I(2)Sr(1) 
 JA98                13.Aug.24 
         -133294.0     -134200.0    38.031       0.0
         16.658160      6.568581     -0.008932      0.464646
        1500.00
 titanium iodide,cr  TiI2      
 need abbrev         I(2)Ti(1) 
 JA98                13.Aug.24 
          -61867.6      -63599.9    29.300       0.0
         20.090363      1.739903      0.000190     -0.006871
        1800.00
 zirconium iodid,cr  ZrI2      
 need abbrev         I(2)Zr(1) 
 JA98                13.Aug.24 
          -61657.5      -62000.0    35.900       0.0
         22.686104      1.678658      0.239128    -16.076451
        1500.00
 molybdenum iodi,cr  MoI3      
 need abbrev         I(3)Mo(1) 
 JA98                13.Aug.24 
          -29270.8      -29800.0    46.700       0.0
         24.831677      3.976970     -0.002767      0.182868
        1000.00
 titanium iodide,cr  TiI3      
 need abbrev         I(3)Ti(1) 
 JA98                13.Aug.24 
          -76108.7      -77000.0    46.000       0.0
         27.390422      1.739868      0.000224     -0.009199
        1500.00
 zirconium iodid,cr  ZrI3      
 need abbrev         I(3)Zr(1) 
 JA98                13.Aug.24 
          -94394.6      -95000.0    48.897       0.0
         25.300402      0.175893     -0.936292      9.088107
        1800.00
 molybdenum iodi,cr  MoI4      
 need abbrev         I(4)Mo(1) 
 JA98                13.Aug.24 
          -29768.6      -29400.1    63.590       0.0
         32.789914      0.000000      0.000000      0.000000
         600.00
 tetraiodosilane,cr  SiI4      
 need abbrev         I(4)Si(1) 
 JA98                13.Aug.24 
          -45802.3      -45300.0    61.700       0.0
         18.570465     21.466235     -0.169916     17.984663
         500.00
 titanium iodide,cr  TiI4      
 need abbrev         I(4)Ti(1) 
 JA98                13.Aug.24 
          -88596.3      -89800.0    58.831       0.0
          0.188091      9.041078    -21.493913    888.022902
        1500.00
 zirconium iodid,cr  ZrI4      
 need abbrev         I(4)Zr(1) 
 JA98                13.Aug.24 
         -116024.4     -116800.0    62.206       0.0
         30.518847      2.675664     -1.130633      8.628805
        1000.00
 potassium,cr        K         
 need abbrev         K(1)      
 JA98                13.Aug.24 
               0.0           0.0    15.457       0.0
       1407.152734   -809.448585    203.549479 -23961.888037
         400.00
 potassium super,cr  KO2       
 need abbrev         K(1)O(2)  
 JA98                13.Aug.24 
          -57502.2      -68000.0    29.278       0.0
         29.597123     -1.420555     -0.613327   -171.998901
        1500.00
 potassium oxide,cr  K2O       
 need abbrev         K(2)O(1)  
 JA98                13.Aug.24 
          -76982.3      -86800.0    22.500       0.0
         11.537043     11.109911     -3.100278    150.187674
        1800.00
 potassium perox,cr  K2O2      
 need abbrev         K(2)O(2)  
 JA98                13.Aug.24 
         -102714.6     -118500.0    27.000       0.0
         24.185591     13.510231      0.507118    -83.717225
        1800.00
 potassium silic,cr  K2SiO3    
 need abbrev         K(2)O(3)Si(1)
 JA98                13.Aug.24 
         -347928.5     -370000.0    34.930       0.0
         61.581504     -0.391920      0.590671   -584.803455
        1800.00
 potassium sulfa,cr  K2SO4     
 need abbrev         K(2)O(4)S(1)
 JA98                13.Aug.24 
         -315390.8     -343620.0    41.956       0.0
         12.679729     34.673815     -4.018490    222.865490
        1200.00
 potassium sulfa,cr  K2SO4     
 need abbrev         K(2)O(4)S(1)
 JA98                13.Aug.24 
         -313365.4     -340402.2    45.956       0.0
         27.393120     19.399367      0.015600     -1.255287
        1500.00
 potassium sulfi,cr  K2S       
 need abbrev         K(2)S(1)  
 JA98                13.Aug.24 
          -86698.1      -90000.0    27.500       0.0
        208.804220    -40.005449     73.737008  -4504.528380
        1800.00
 lithium,cr          Li        
 need abbrev         Li(1)     
 JA98                13.Aug.24 
               0.0           0.0     6.951       0.0
         11.562618     -2.174752     -1.142130    -65.527432
        1000.00
 lithium oxide,cr    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 peroxid,cr  Li2O2     
 need abbrev         Li(2)O(2) 
 JA98                13.Aug.24 
         -136461.3     -151200.0    13.500       0.0
         19.203122     11.091593     -2.722067    -44.185678
        1800.00
 lithium silicat,cr  Li2SiO3   
 need abbrev         Li(2)O(3)Si(1)
 JA98                13.Aug.24 
         -372547.6     -394240.0    19.191       0.0
         37.190411      4.575235     -4.829947   -156.246366
        1800.00
 lithium titaniu,cr  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  Li2SO4    
 need abbrev         Li(2)O(4)S(1)
 JA98                13.Aug.24 
         -315753.1     -343300.0    27.234       0.0
          9.907253     35.601601     -7.218533    271.257805
        1200.00
 lithium sulfate,cr  Li2SO4    
 need abbrev         Li(2)O(4)S(1)
 JA98                13.Aug.24 
         -313115.0     -340672.3    27.199       0.0
         38.402035      1.585178    -30.010681    447.639368
        1800.00
 lithium silicat,cr  Li2Si2O5  
 need abbrev         Li(2)O(5)Si(2)
 JA98                13.Aug.24 
         -577640.5     -612070.0    30.000       0.0
         72.059725      1.944382     -7.585474   -535.608891
        1800.00
 lithium nitride,cr  Li3N      
 need abbrev         Li(3)N(1) 
 JA98                13.Aug.24 
          -30745.7      -39330.1    14.960       0.0
         27.036462     14.934883      1.919828   -269.990108
        1300.00
 magnesium,cr        Mg        
 need abbrev         Mg(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.809       0.0
         -9.193988      8.315631     -3.856076    292.488911
        1800.00
 magnesium oxide,cr  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  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  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  MgSO4     
 need abbrev         Mg(1)O(4)S(1)
 JA98                13.Aug.24 
         -274237.1     -301574.1    21.844       0.0
         53.964528      2.058394      4.764782   -636.538463
        1800.00
 magnesium tungs,cr  MgWO4     
 need abbrev         Mg(1)O(4)W(1)
 JA98                13.Aug.24 
         -335617.6     -362300.0    24.184       0.0
         18.760311     12.306849     -7.764157    214.011221
        1800.00
 magnesium titan,cr  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 sulfi,cr  MgS       
 need abbrev         Mg(1)S(1) 
 JA98                13.Aug.24 
          -81604.4      -82630.0    12.030       0.0
         11.500975      0.939904     -0.903454      2.104026
        1800.00
 magnesium silic,cr  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  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  Mg2Si     
 need abbrev         Mg(2)Si(1)
 JA98                13.Aug.24 
          -18416.6      -18599.9    19.500       0.0
         18.313150      3.323735     -1.841232    -17.466422
        1800.00
 magnesium nitri,cr  Mg3N2     
 need abbrev         Mg(3)N(2) 
 JA98                13.Aug.24 
          -95822.9     -110200.0    21.000       0.0
         52.975116     -5.564031      6.981097   -590.168948
        1800.00
 magnesium phosp,cr  Mg3P2O8   
 need abbrev         Mg(3)O(8)P(2)
 JA98                13.Aug.24 
         -837203.4     -895099.9    45.000       0.0
        195.924214    -17.732125     36.378079  -3114.215818
        1800.00
 manganese,cr        Mn        
 need abbrev         Mn(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.651       0.0
          2.315650      4.243697     -1.722355     79.481546
        1800.00
 molybdenum,cr       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  MoO2      
 need abbrev         Mo(1)O(2) 
 JA98                13.Aug.24 
         -127153.7     -140500.0    11.104       0.0
          6.798208      7.838688     -4.894322    167.716224
        1800.00
 molybdenum oxid,cr  MoO2.750  
 need abbrev         Mo(1)O(2).(750)
 JA98                13.Aug.24 
         -152158.9     -169314.5    16.715       0.0
          3.278507     13.073834     -5.486945    272.131243
        1500.00
 molybdenum oxid,cr  MoO2.875  
 need abbrev         Mo(1)O(2).(875)
 JA98                13.Aug.24 
         -155990.0     -173787.8    17.650       0.0
          2.390914     14.044840     -5.684956    296.123276
        1500.00
 molybdenum oxid,cr  MoO2.889  
 need abbrev         Mo(1)O(2).(889)
 JA98                13.Aug.24 
         -156419.9     -174274.6    17.754       0.0
          2.291745     14.152944     -5.707051    298.802037
        1500.00
 molybdenum oxid,cr  MoO3      
 need abbrev         Mo(1)O(3) 
 JA98                13.Aug.24 
         -159674.7     -178099.9    18.585       0.0
          1.567908     14.997201     -5.860275    318.662698
        1500.00
 molybdenum sulf,cr  MoS2      
 need abbrev         Mo(1)S(2) 
 JA98                13.Aug.24 
          -63851.8      -66000.0    14.955       0.0
         17.152188      1.776088     -2.199235     -0.338920
        1800.00
 molybdenum sulf,cr  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
 vanadium nitrid,cr  VN0.465   
 need abbrev         N(0).(465)V(1)
 JA98                13.Aug.24 
          -28273.7      -31599.9     6.384       0.0
          7.487663      2.766462     -1.253222     -0.015967
        1800.00
 titanium nitrid,cr  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
 vanadium nitrid,cr  VN        
 need abbrev         N(1)V(1)  
 JA98                13.Aug.24 
          -45666.3      -51900.1     8.906       0.0
         10.753098      2.334116     -2.004663     -1.817300
        1800.00
 zirconium nitri,cr  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   N2O4      
 need abbrev         N(2)O(4)  
 JA98                13.Aug.24 
               nan      999999.0    35.920       0.0
        492.240105   -250.327824     57.896500  -7831.488048
         500.00
 silicon nitride,cr  Si3N4     
 need abbrev         N(4)Si(3) 
 JA98                13.Aug.24 
         -154718.7     -178000.0    27.000       0.0
         70.540218     -1.457845     11.527171  -1021.939310
        1800.00
 phosphorus nitr,cr  P3N5      
 need abbrev         N(5)P(3)  
 JA98                13.Aug.24 
          -46721.3      -76518.9    44.000       0.0
        113.676391    -11.442376     -3.788374  -1215.977154
        1500.00
 sodium,cr           Na        
 need abbrev         Na(1)     
 JA98                13.Aug.24 
               0.0           0.0    12.298       0.0
          1.479476      1.780998     -4.228727    162.997282
        1000.00
 sodium superoxi,cr  NaO2      
 need abbrev         Na(1)O(2) 
 JA98                13.Aug.24 
          -52273.4      -62300.0    27.700       0.0
         15.399501      9.471784      0.384422    -24.340547
        1800.00
 sodium oxide,cr     Na2O      
 need abbrev         Na(2)O(1) 
 JA98                13.Aug.24 
          -90604.7      -99900.1    17.935       0.0
         30.695744     -0.005392      0.492728   -254.890670
        1800.00
 sodium peroxide,cr  Na2O2     
 need abbrev         Na(2)O(2) 
 JA98                13.Aug.24 
         -107463.4     -122659.9    22.658       0.0
         39.403192     -3.431483     -1.413437   -268.662956
        1800.00
 sodium silicate,cr  Na2SiO3   
 need abbrev         Na(2)O(3)Si(1)
 JA98                13.Aug.24 
         -350700.3     -373190.0    27.210       0.0
         46.163243      5.028103     -1.376468   -334.421875
        1800.00
 sodium sulfate,,cr  Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -302434.8     -329659.2    39.009       0.0
         -7.623507     34.989184     -6.631837    724.955168
        1500.00
 sodium sulfate,,cr  Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -302598.9     -330042.8    38.272       0.0
         30.664147     15.792757      0.288978     42.717457
        1500.00
 sodium sulfate,,cr  Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -303171.8     -330988.0    37.024       0.0
         13.210438     63.899867      5.379497   -127.998510
        1000.00
 sodium sulfate,,cr  Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -303479.7     -331634.6    35.888       0.0
         34.189660     22.269997     -1.137204   -154.086239
        1000.00
 sodium sulfate,,cr  Na2SO4    
 need abbrev         Na(2)O(4)S(1)
 JA98                13.Aug.24 
         -303501.2     -331696.0    35.754       0.0
         34.191174     22.270422     -1.135333   -154.150042
        1000.00
 sodium tungsten,cr  Na2WO4    
 need abbrev         Na(2)O(4)W(1)
 JA98                13.Aug.24 
         -341727.1     -369200.0    38.320       0.0
         23.373850     25.543841     -4.241398    124.071498
        1500.00
 sodium silicate,cr  Na2Si2O5  
 need abbrev         Na(2)O(5)Si(2)
 JA98                13.Aug.24 
         -555488.3     -590359.9    39.210       0.0
        155.833018    -14.005063     30.683413  -2555.878328
        1800.00
 sodium sulfide,cr   Na2S      
 need abbrev         Na(2)S(1) 
 JA98                13.Aug.24 
          -84740.0      -87500.0    23.000       0.0
        172.987893    -28.550934     67.189919  -3776.764693
        1800.00
 sodium sulfide,,cr  Na2S2     
 need abbrev         Na(2)S(2) 
 JA98                13.Aug.24 
          -93731.6      -94900.1    36.000       0.0
         19.605084     13.318085      0.001887     -0.108718
        1000.00
 niobium,cr          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    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    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    Nb2O5     
 need abbrev         Nb(2)O(5) 
 JA98                13.Aug.24 
         -422040.4     -454000.0    32.815       0.0
         62.363463     -3.142450      1.911913   -553.046211
        1800.00
 nickel,cr           Ni        
 need abbrev         Ni(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.139       0.0
         -5.065485      4.070436     -7.164912    307.514025
        1800.00
 nickel sulfide,cr   NiS       
 need abbrev         Ni(1)S(1) 
 JA98                13.Aug.24 
          -20363.3      -21000.0    12.665       0.0
         -1.412644      9.230688     -3.488028    239.325936
        1700.00
 nickel sulfide,cr   NiS2      
 need abbrev         Ni(1)S(2) 
 JA98                13.Aug.24 
          -29831.0      -31400.1    17.200       0.0
         15.400922      4.960061      0.000231     -0.000945
        1800.00
 nickel sulfide,cr   Ni3S2     
 need abbrev         Ni(3)S(2) 
 JA98                13.Aug.24 
          -50286.6      -51700.0    32.000       0.0
        144.088863    -21.665685     38.159036  -2623.212784
        1600.00
 nickel sulfide,cr   Ni3S4     
 need abbrev         Ni(3)S(4) 
 JA98                13.Aug.24 
          -69734.0      -71968.2    44.570       0.0
         29.166379     34.331116      0.004415     -0.290831
        1100.00
 lead oxide, red,cr  PbO       
 need abbrev         O(1)Pb(1) 
 JA98                13.Aug.24 
          -45239.7      -52440.0    15.850       0.0
          9.928426      3.222674     -2.498802     49.164342
        1400.00
 lead oxide, yel,cr  PbO       
 need abbrev         O(1)Pb(1) 
 JA98                13.Aug.24 
          -45087.7      -52118.1    16.420       0.0
         10.819093      3.068081     -0.685120     -0.404400
        1500.00
 strontium oxide,cr  SrO       
 need abbrev         O(1)Sr(1) 
 JA98                13.Aug.24 
         -134178.3     -141500.0    13.270       0.0
         13.114981      1.348908     -0.762574    -31.214587
        1800.00
 titanium oxide,,cr  TiO       
 need abbrev         O(1)Ti(1) 
 JA98                13.Aug.24 
         -122676.4     -129700.0     8.310       0.0
         10.266778      4.159058     -1.487973     -4.932217
        1800.00
 titanium oxide,,cr  TiO       
 need abbrev         O(1)Ti(1) 
 JA98                13.Aug.24 
         -121912.0     -128700.0     9.101       0.0
         10.275937      4.156753     -1.484350     -5.147572
        1800.00
 vanadium oxide,cr   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
 lead oxide,cr       PbO2      
 need abbrev         O(2)Pb(1) 
 JA98                13.Aug.24 
          -51481.1      -65599.9    17.160       0.0
         29.056074     -2.569215      0.178217   -239.507725
        1200.00
 silicon oxide, ,cr  SiO2      
 need abbrev         O(2)Si(1) 
 JA98                13.Aug.24 
         -204023.9     -216417.1    11.963       0.0
         17.394263      0.307579     -9.896672     -0.000286
        1800.00
 silicon oxide, ,cr  SiO2      
 need abbrev         O(2)Si(1) 
 JA98                13.Aug.24 
         -204232.6     -217099.9    10.372       0.0
         32.964053     -3.938783      1.480708   -392.152055
        1000.00
 silicon oxide, ,cr  SiO2      
 need abbrev         O(2)Si(1) 
 JA98                13.Aug.24 
         -204694.8     -217700.0     9.910       0.0
         19.040380      0.353424     -4.521121    -61.280051
        1800.00
 titanium oxide,,cr  TiO2      
 need abbrev         O(2)Ti(1) 
 JA98                13.Aug.24 
         -211105.6     -224359.9    11.928       0.0
         21.641953     -0.560049     -2.814206    -88.244638
        1800.00
 titanium oxide,,cr  TiO2      
 need abbrev         O(2)Ti(1) 
 JA98                13.Aug.24 
         -212573.1     -225800.0    12.020       0.0
         20.951407     -0.083032     -2.458611    -86.363941
        1800.00
 tungsten oxide,cr   WO2       
 need abbrev         O(2)W(1)  
 JA98                13.Aug.24 
         -127594.6     -140940.0    12.076       0.0
          5.106770      6.299772     -7.173171    247.182643
        1800.00
 tungsten oxide,cr   WO2.72    
 need abbrev         O(2).(72)W(1)
 JA98                13.Aug.24 
         -169367.1     -186700.0    16.354       0.0
         23.217916      2.117451     -3.000300    -72.529015
        1800.00
 tungsten oxide,cr   WO2.90    
 need abbrev         O(2).(90)W(1)
 JA98                13.Aug.24 
         -177703.9     -196000.0    17.536       0.0
         25.841655      1.565243     -2.725976   -107.505572
        1800.00
 tungsten oxide,cr   WO2.96    
 need abbrev         O(2).(96)W(1)
 JA98                13.Aug.24 
         -180933.8     -199560.0    17.900       0.0
         27.010147      1.351552     -2.504123   -126.546453
        1800.00
 zirconium oxide,cr  ZrO2      
 need abbrev         O(2)Zr(1) 
 JA98                13.Aug.24 
         -248500.0     -262300.0    12.036       0.0
         33.787818     -4.058726      2.046897   -369.392571
        1800.00
 lead silicate,cr    PbSiO3    
 need abbrev         O(3)Pb(1)Si(1)
 JA98                13.Aug.24 
         -253607.6     -273659.9    26.273       0.0
         46.164868     -2.353840     -0.862609   -397.562922
        1800.00
 titanium oxide,cr   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   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   WO3       
 need abbrev         O(3)W(1)  
 JA98                13.Aug.24 
         -182614.0     -201460.1    18.143       0.0
         19.614214      2.993086     -5.736838     57.232676
        1800.00
 lead silicate,cr    Pb2SiO4   
 need abbrev         O(4)Pb(2)Si(1)
 JA98                13.Aug.24 
         -302821.9     -329320.0    44.654       0.0
         64.273599     -2.376556     -0.384538   -526.652795
        1800.00
 lead oxide,cr       Pb3O4     
 need abbrev         O(4)Pb(3) 
 JA98                13.Aug.24 
         -143787.3     -171770.1    50.660       0.0
         31.254370     11.564139    -10.856769    250.275192
        1500.00
 zinc sulfate,cr     ZnSO4     
 need abbrev         O(4)S(1)Zn(1)
 JA98                13.Aug.24 
         -207642.7     -234260.0    26.420       0.0
         34.423702     -0.094463    -11.517325     35.348545
        1800.00
 zirconium silic,cr  ZrSiO4    
 need abbrev         O(4)Si(1)Zr(1)
 JA98                13.Aug.24 
         -456375.5     -483735.9    20.083       0.0
         58.711651     -5.030634      0.210014   -585.184800
        1800.00
 vanadium oxide,cr   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   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  Ti3O5     
 need abbrev         O(5)Ti(3) 
 JA98                13.Aug.24 
         -553846.3     -587750.0    30.920       0.0
         43.753496      5.086882    -14.013934    129.881611
        1500.00
 titanium oxide,,cr  Ti3O5     
 need abbrev         O(5)Ti(3) 
 JA98                13.Aug.24 
         -552762.7     -584653.2    37.671       0.0
         37.999796     12.000041     -0.000112      0.005606
        1800.00
 vanadium oxide,cr   V2O5      
 need abbrev         O(5)V(2)  
 JA98                13.Aug.24 
         -339232.3     -370599.9    31.202       0.0
         36.286369      6.523794     -9.658054     65.948316
        1500.00
 titanium oxide,cr   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 oxid,cr  (P2O5)2   
 need abbrev         O(10)P(4) 
 JA98                13.Aug.24 
         -650892.7     -719392.0    54.680       0.0
        231.490573     -9.420508     37.894095  -3806.934294
        1500.00
 phosphorus, whi,cr  P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
               0.0           0.0     9.818       0.0
          7.006955     -0.507121     -0.871784     -3.209467
        1000.00
 phosphorus, red,cr  P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
           -1698.9       -2973.0     5.544       0.0
          1.233055      4.392353     -1.031018     63.903126
        1000.00
 phosphorus, red,cr  P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
           -2874.3       -4173.0     5.462       0.0
         29.934036     -6.323809      6.616350   -523.840355
        1000.00
 phosphorus, bla,cr  P         
 need abbrev         P(1)      
 JA98                13.Aug.24 
           -1753.8       -3071.5     5.398       0.0
          1.289413      4.397022     -1.035411     64.173409
        1000.00
 phosphorus sulf,cr  P4S3      
 need abbrev         P(4)S(3)  
 JA98                13.Aug.24 
          -49441.7      -53691.9    48.000       0.0
         35.000000      0.000000      0.000000      0.000000
        1800.00
 lead,cr             Pb        
 need abbrev         Pb(1)     
 JA98                13.Aug.24 
               0.0           0.0    15.484       0.0
          5.279198      2.437292     -0.016491      7.436601
        1500.00
 lead sulfide,cr     PbS       
 need abbrev         Pb(1)S(1) 
 JA98                13.Aug.24 
          -23108.3      -23500.0    21.832       0.0
         11.838650      2.035304      0.179570    -14.307864
        1800.00
 rubidium,cr         Rb        
 need abbrev         Rb(1)     
 JA98                13.Aug.24 
               0.0           0.0    18.350       0.0
          0.348004     22.306466     -0.110052      9.404487
         600.00
 sulfur, orthorh,cr  S         
 need abbrev         S(1)      
 JA98                13.Aug.24 
               0.0           0.0     7.662       0.0
          3.076953      5.263502     -0.278170     18.870646
         800.00
 sulfur, monocli,cr  S         
 need abbrev         S(1)      
 JA98                13.Aug.24 
              16.7          86.0     7.894       0.0
          2.828769      5.241992     -0.416470     28.145085
         800.00
 strontium sulfi,cr  SrS       
 need abbrev         S(1)Sr(1) 
 JA98                13.Aug.24 
         -110621.9     -112000.0    16.350       0.0
         14.517787      0.682583      0.145782    -56.268655
        1800.00
 silicon sulfide,cr  SiS2      
 need abbrev         S(2)Si(1) 
 JA98                13.Aug.24 
          -50814.8      -51000.0    19.200       0.0
         17.264619      2.780923     -0.287478     12.790673
        1800.00
 silicon,cr          Si        
 need abbrev         Si(1)     
 JA98                13.Aug.24 
               0.0           0.0     4.498       0.0
          5.415905      0.937417     -0.854254      0.754359
        1800.00
 strontium, alph,cr  Sr        
 need abbrev         Sr(1)     
 JA98                13.Aug.24 
               0.0           0.0    13.311       0.0
          4.433069      3.028295     -0.232919     22.913437
        1500.00
 strontium, beta,cr  Sr        
 need abbrev         Sr(1)     
 JA98                13.Aug.24 
             184.0         289.4    13.665       0.0
          6.299474      1.000126     -0.000228      0.012788
        1500.00
 tantalum,cr         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, alpha,cr  Ti        
 need abbrev         Ti(1)     
 JA98                13.Aug.24 
               0.0           0.0     7.352       0.0
        -34.760618     17.066725    -11.644726    839.429684
        1700.00
 titanium, beta,cr   Ti        
 need abbrev         Ti(1)     
 JA98                13.Aug.24 
            1115.0        1639.6     9.111       0.0
          0.976489      2.947366     -1.328742     92.247886
        1800.00
 vanadium,cr         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         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             Zn        
 need abbrev         Zn(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.971       0.0
          2.520684      4.249435     -0.302992     45.285897
        1000.00
 zirconium, alph,cr  Zr        
 need abbrev         Zr(1)     
 JA98                13.Aug.24 
               0.0           0.0     9.290       0.0
          3.684588      2.915093     -0.096852     27.554375
        1700.00
 zirconium, beta,cr  Zr        
 need abbrev         Zr(1)     
 JA98                13.Aug.24 
             841.5        1149.6    10.323       0.0
          3.444676      1.497453     -1.331043     61.686169
        1800.00
