21 lines
1.9 KiB
Plaintext
21 lines
1.9 KiB
Plaintext
**************** Begin of Error Analysis for the Training Data Set ****************
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File | # configs | # atoms | MAE energy | RMSE energy | MAE force | RMSE force
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Displaced_A15.xyz 9 576 0.015324 0.015365 0.140594 0.184797
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Displaced_BCC.xyz 9 486 0.009486 0.011643 0.249983 0.320375
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Displaced_FCC.xyz 9 432 0.000686 0.000880 0.091420 0.113585
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Elastic_BCC.xyz 100 200 0.003796 0.004379 0.000015 0.000020
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Elastic_FCC.xyz 100 400 0.003332 0.003372 0.000122 0.000178
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GSF_110.xyz 22 528 0.007027 0.007797 0.057637 0.115638
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GSF_112.xyz 22 660 0.010396 0.011347 0.125237 0.198553
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Liquid.xyz 3 300 0.017584 0.023822 0.504354 0.660300
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Surface.xyz 7 236 0.025511 0.034302 0.107190 0.285034
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Volume_A15.xyz 30 240 0.038624 0.048355 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.044423 0.061685 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.030062 0.041271 0.000000 0.000000
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All files 363 4224 0.012618 0.024806 0.125879 0.247229
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**************** End of Error Analysis for the Training Data Set ****************
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