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https://github.com/cp2k/cp2k.git
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34 lines
1.8 KiB
Text
34 lines
1.8 KiB
Text
32
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Lattice="7.23 0.0 0.0 0.0 7.23 0.0 0.0 0.0 7.23" Properties=species:S:1:pos:R:3 pbc="T T T"
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Cu 7.19929385 0.07184150 7.15208419
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Cu 7.14664045 2.10236709 2.01651087
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Cu 1.82143618 0.04226192 1.92285339
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Cu 1.99446521 1.95857840 7.03556683
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Cu 0.04124875 0.03433693 3.81793753
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Cu 0.13296440 1.50725440 5.36672362
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Cu 2.05785380 7.16421454 5.34153878
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Cu 1.87904775 2.29484159 3.46181587
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Cu 7.14343690 3.63361819 0.04539203
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Cu 0.07856581 5.42264104 2.00907147
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Cu 1.70046840 3.49032697 1.45196525
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Cu 1.52838588 5.29338639 0.08402179
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Cu 7.04010983 3.63297407 3.45547313
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Cu 0.04993241 5.06858718 5.39256856
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Cu 1.57620067 3.46938961 5.22644546
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Cu 1.85045246 5.47919762 3.50191702
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Cu 3.66469285 0.20246133 0.01048150
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Cu 3.65200112 1.80572076 1.95822174
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Cu 5.62157919 7.09211077 1.57513403
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Cu 5.42582769 1.92125447 7.13092135
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Cu 3.74438701 7.22849521 3.62250140
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Cu 3.71553234 1.93544475 5.27911967
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Cu 5.41897600 6.88436492 5.32462967
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Cu 5.23975470 1.60760854 3.77619340
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Cu 3.72354623 3.71850028 0.15023152
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Cu 3.53953689 5.32915887 1.66932471
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Cu 5.31356798 3.64843433 1.81519742
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Cu 5.24884208 5.54500604 0.06504144
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Cu 3.76661054 3.88873128 3.46537226
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Cu 3.74258866 5.40276336 5.55936212
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Cu 5.45073160 3.94041922 5.40526077
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Cu 5.72305460 5.42694152 3.73428797
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