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
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   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
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   0.63509702  0.34689551  0.88665807
Direct configuration=     3
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   0.63511009  0.34691117  0.88666748
Direct configuration=     4
   0.04008934  0.08627220  0.99519976
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   0.92275341  0.38985685  0.40943396
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   0.70239596  0.41318152  0.84428284
   0.63507569  0.34691026  0.88660900
Direct configuration=     5
   0.04002850  0.08625427  0.99521381
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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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   0.63499648  0.34687362  0.88653242
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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