water, 500 bar,fl   H2O       
 need abbrev         H(2)O(1)  
 JA98                13.Aug.24 
          -56464.9      -68120.0    16.658       0.0
        -20.821178      1.087104    -33.061268   1275.710414
        1800.00
 water, 5000 bar,fl  H2O       
 need abbrev         H(2)O(1)  
 JA98                13.Aug.24 
          -54685.5      -66537.8    15.996       0.0
         17.218197     -2.263289     -2.961522     30.936677
        1800.00