     File        Peak     Code      Constr       Th2        Err     
liti.dat        PVII   @          1.000      12.5779     0.0000     
                PVII   @          1.000      18.0934     0.0000     
                PVII   @          1.000      21.6957     0.0000     
                PVII   @          1.000      22.5217     0.0000     
                PVII   @          1.000      25.3335     0.0000     
                PVII   @          1.000      30.6912     0.0000     
                PVII   @          1.000      31.8883     0.0000     
                PVII   @          1.000      35.9306     0.0000     
                PV     @          1.000      36.2274     0.0000     
                PVII   @          1.000      36.6604     0.0000     
                PVII   @          1.000      38.3578     0.0000     
                PVII   @          1.000      39.3453     0.0000     
                PVII   @          1.000      40.1395     0.0000     
                PVII   @          1.000      40.8470     0.0000     
                PV     @          1.000      42.0050     0.0000     
                PV     @          1.000      43.3004     0.0000     
                PV     @          1.000      44.1482     0.0000     
                PV     @          1.000      44.4257     0.0000     
                PV     @          1.000      45.9084     0.0000     
                PV     @          1.000      47.8251     0.0000     
                PV     @          1.000      48.8387     0.0000     
                PV     @          1.000      51.7006     0.0000     
                PV     @          1.000      52.8736     0.0000     
                PV     @          1.000      55.1830     0.0000     
                PV     @          1.000      57.9617     0.0000     
                PV     @          1.000      58.4225     0.0000     
                PV     @          1.000      59.1796     0.0000     
                PV     @          1.000      61.5985     0.0000     
                PV     @          1.000      62.8818     0.0000     
                PV     @          1.000      63.7264     0.0000     
                PV     @          1.000      65.3221     0.0000     
                PV     @          1.000      65.8589     0.0000     
                PV     @          1.000      67.6597     0.0000     
                PV     @          1.000      68.5103     0.0000     
