MT from job 1405 (LKD) GPU test-2       
           1
    16.680000    0.000000    0.000000
     0.000000   16.680000    0.000000
     0.000000    0.000000   16.763400
   Si   O    C    H 
    69   102    45   208
Direct configuration=     1
   0.00983469  0.04950797  0.95011505
   0.22994814  0.07684807  0.47498302
   0.06540712  0.24417101  0.11598380
   0.25872124  0.32493554  0.29985996
   0.05110464  0.08598161  0.51502668
   0.17494529  0.07636469  0.89572539
   0.00766374  0.18880091  0.66281930
   0.17400250  0.20341077  0.75691298
   0.05755058  0.37249606  0.98170017
   0.26977658  0.43837387  0.44965033
   0.08385447  0.65010199  0.14167762
   0.26212395  0.59695887  0.15629720
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   0.13429009  0.75760544  0.48693796
   0.25584724  0.77039124  0.90470386
   0.04020684  0.96541507  0.64847061
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   0.34456963  0.06379392  0.96054844
   0.64383391  0.01021221  0.37217288
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Direct configuration=     6
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Direct configuration=     8
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Direct configuration=     9
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Direct configuration=    18
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Direct configuration=    25
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Direct configuration=    26
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   0.79162051  0.01092015  0.74807362
Direct configuration=    27
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   0.25431059  0.64444655  0.76953469
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Direct configuration=    32
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Direct configuration=    35
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Direct configuration=    36
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Direct configuration=    42
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Direct configuration=    43
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Direct configuration=    44
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Direct configuration=    45
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Direct configuration=    51
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