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 0.000485 0.000601 0.061564 0.076587
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Displaced_BCC.xyz 9 486 0.002661 0.002932 0.088772 0.113705
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Displaced_FCC.xyz 9 432 0.001164 0.001236 0.042531 0.054431
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Elastic_BCC.xyz 100 200 0.000296 0.000303 0.000007 0.000011
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Elastic_FCC.xyz 100 400 0.000264 0.000323 0.000114 0.000167
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GSF_110.xyz 22 528 0.001471 0.001831 0.022262 0.037345
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GSF_112.xyz 22 660 0.001658 0.002080 0.043744 0.069580
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Liquid.xyz 3 300 0.001533 0.001979 0.208901 0.265429
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Surface.xyz 7 236 0.006933 0.008921 0.035684 0.076213
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Volume_A15.xyz 30 240 0.000826 0.001268 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.000804 0.001663 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.001122 0.001284 0.000000 0.000000
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All files 363 4224 0.000808 0.001667 0.049418 0.094072
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**************** End of Error Analysis for the Training Data Set ****************
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