28 lines
2.4 KiB
Plaintext
28 lines
2.4 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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Bulk.xyz 1 8 0.001678 0.001678 0.000000 0.000000
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EOS.xyz 268 2080 0.001463 0.001817 0.001107 0.015463
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Shear.xyz 346 2768 0.000415 0.000640 0.008336 0.012865
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Strain.xyz 163 1304 0.001129 0.001374 0.000021 0.000036
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aIn.xyz 54 11664 0.000737 0.000796 0.007969 0.016112
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aP.xyz 21 4536 0.001396 0.001407 0.019599 0.054174
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aa.xyz 20 4320 0.001991 0.001991 0.016735 0.027955
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iIn.xyz 41 8897 0.001548 0.001687 0.013910 0.025462
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iP.xyz 100 21700 0.001090 0.001203 0.009692 0.018549
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s_aIn.xyz 121 7744 0.000856 0.000889 0.011041 0.017399
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s_aP.xyz 72 4608 0.002255 0.003587 0.032425 0.045878
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s_aa.xyz 18 1152 0.001198 0.001200 0.037169 0.047713
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s_iIn.xyz 144 9360 0.002014 0.002255 0.035374 0.050726
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s_iP.xyz 337 21905 0.001655 0.002178 0.025130 0.038368
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s_vIn.xyz 17 1071 0.007984 0.007992 0.023190 0.039575
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s_vP.xyz 77 4851 0.000245 0.000281 0.018303 0.025819
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s_vv.xyz 65 4030 0.001759 0.001986 0.039037 0.052667
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vP.xyz 10 2150 0.000640 0.000640 0.005452 0.009834
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vv.xyz 19 4066 0.001336 0.001403 0.020930 0.034386
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All files 1894 118214 0.001288 0.001855 0.018109 0.032649
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**************** End of Error Analysis for the Training Data Set ****************
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