MT from job 1251 (LKU-53) GPU (test-2)  
           1
    17.150000    0.000000    0.042875
     0.000000   17.150000    0.000000
     0.042875    0.000000   17.150000
   Si   C    O    H 
    69    59    88   164
Direct configuration=     1
   0.03992205  0.08624106  0.99523277
   0.26306095  0.08594196  0.38439244
   0.98391862  0.27535490  0.04009863
   0.31116068  0.24034395  0.29476515
   0.09912335  0.10568773  0.52508764
   0.28108884  0.10478023  0.78470767
   0.09558281  0.27207899  0.61877333
   0.26975611  0.26914841  0.69927613
   0.01771466  0.45967612  0.99160118
   0.25343630  0.41569476  0.35860554
   0.06787181  0.59664997  0.13007265
   0.24540887  0.55322327  0.21931975
   0.08628582  0.37567007  0.46280218
   0.28897336  0.39868235  0.84116914
   0.29645554  0.58182970  0.80816810
   0.08064152  0.77267143  0.00295705
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   0.08604611  0.85093745  0.46523561
   0.25847600  0.75942313  0.86225318
   0.09384814  0.94366350  0.62537096
   0.27100768  0.92509498  0.72160588
   0.40280662  0.12265113  0.91516530
   0.58209106  0.09300866  0.38142599
   0.41167081  0.30508480  0.17173988
   0.56827653  0.23661530  0.24960733
   0.42394875  0.08479851  0.49169771
   0.57614816  0.11880692  0.85246610
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   0.73641501  0.79142984  0.98134324
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   0.23297059  0.67392051  0.79053664
   0.37621677  0.59042701  0.72568626
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Direct configuration=     2
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   0.63514913  0.34692443  0.88673705
Direct configuration=     3
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   0.70259818  0.41320377  0.84413252
   0.63512788  0.34692034  0.88669532
Direct configuration=     4
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   0.63515647  0.34692216  0.88676590
Direct configuration=     5
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   0.26318147  0.08587211  0.38442082
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Direct configuration=     6
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Direct configuration=     7
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Direct configuration=     8
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Direct configuration=     9
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Direct configuration=    10
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Direct configuration=    11
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Direct configuration=    12
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Direct configuration=    13
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Direct configuration=    14
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Direct configuration=    15
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Direct configuration=    16
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Direct configuration=    17
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