****************************************************************************************************
     Results at          0 MD step.
====================================================================================================
     Total energies (eV)
----------------------------------------------------------------------------------------------------
      -279.833939  -279.757700
      -279.837054  -279.760845
      -279.839900  -279.763801
      -279.842564  -279.766702
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      -279.172626  -279.094389
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      -278.973092  -278.905353
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      -278.418481  -278.393605
      -278.449072  -278.421610
      -278.518667  -278.486668
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      -279.007543  -278.921538
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      -278.970845  -278.906319
      -278.731041  -278.680431
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      -278.557194  -278.519851
      -279.069228  -279.013413
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====================================================================================================
     Forces (eV ang.^-1)
----------------------------------------------------------------------------------------------------
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         0.000053     0.000000
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        -0.599015    -0.214482
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        -0.772016    -0.817525
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        -0.206186    -0.183793
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        -0.517661    -0.421197
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        -0.533703    -0.443132
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        -0.659292    -0.504052
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        -0.510964    -0.610991
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        -0.685833    -0.572147
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        -0.327829    -0.481155
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         1.115524     1.254477
         0.422315     0.421358
         0.428276     0.432722
====================================================================================================
     Stress (kbar)
----------------------------------------------------------------------------------------------------
       -58.662124   -60.850026
        -0.001114     0.000000
        -0.953295    -0.240988
       -98.140511   -94.832158
        -0.001967     0.000000
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        -1.068746    -0.262527
       -98.365918   -94.653307
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       -72.908065   -74.016112
       -58.439218   -60.713698
        -0.314856    -0.436764
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       -98.325227   -94.450543
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       -72.931285   -73.969306
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        -0.574069    -0.653883
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       -98.181481   -94.225763
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        -0.798629    -0.871432
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       -98.035991   -93.977327
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       -58.340236   -60.358145
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       -97.804236   -93.695813
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       -58.111431   -60.207062
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        -1.241125    -0.408265
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        -1.251708    -0.443546
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       -95.396218   -90.091756
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       -95.020606   -89.587350
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       -47.201646   -49.926744
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        -2.051331    -2.476487
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       -63.614007   -63.935275
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        -3.453187    -3.602604
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       -55.845659   -57.372850
       -34.584200   -36.722304
        -6.067260    -6.282888
        -4.605146    -4.578750
       -56.323377   -55.978706
         1.183890     0.989525
       -47.299097   -49.247864
       -26.473360   -28.093346
        -5.284164    -5.548479
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       -43.411878   -44.341196
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       -36.874956   -39.339794
       -17.249837   -18.658212
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        -5.190252    -5.091631
       -30.486503   -31.675056
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       -20.383755   -20.961606
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        -9.734219    -9.606589
         4.384360     2.772831
        54.851041    54.512194
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        43.856631    45.554319
        51.572483    52.313346
       -10.928272   -10.747149
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        64.947808    64.397241
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        49.603526    51.847230
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       -10.727124   -10.707672
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        -9.199859    -9.553060
        -9.645796    -8.778947
        81.214429    79.188435
         0.540375     0.332937
        57.585561    59.953213
        60.061733    61.980310
        -7.104829    -7.823664
       -13.019786   -11.789808
        85.434770    83.465605
        -0.922603    -0.894722
        59.053377    61.822789
        58.852199    60.986166
        -5.463222    -6.229709
       -14.101158   -12.978521
        87.796062    85.962351
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        58.913912    61.749101
        53.625381    56.705419
        -4.709950    -5.445010
       -12.452285   -11.927854
        88.529084    86.707074
        -3.244485    -3.196303
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        -7.497851    -7.629604
        -5.153529    -6.371204
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