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 0.000389 0.000389 0.000000 0.000000
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EOS.xyz 268 2080 0.000423 0.000810 0.000553 0.007988
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Shear.xyz 346 2768 0.000150 0.000264 0.002567 0.004527
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Strain.xyz 163 1304 0.000770 0.000979 0.000020 0.000031
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aIn.xyz 54 11664 0.000246 0.000309 0.005992 0.011748
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aP.xyz 21 4536 0.000664 0.000669 0.010923 0.029263
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aa.xyz 20 4320 0.000836 0.000836 0.010665 0.016490
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iIn.xyz 41 8897 0.000679 0.000706 0.009217 0.015986
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iP.xyz 100 21700 0.000571 0.000636 0.006515 0.010972
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s_aIn.xyz 121 7744 0.000268 0.000297 0.007737 0.013057
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s_aP.xyz 72 4608 0.000450 0.000557 0.023867 0.034977
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s_aa.xyz 18 1152 0.000208 0.000211 0.018859 0.026432
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s_iIn.xyz 144 9360 0.000530 0.000656 0.021601 0.029989
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s_iP.xyz 337 21905 0.000353 0.000457 0.016457 0.023761
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s_vIn.xyz 17 1071 0.001193 0.001209 0.015590 0.025467
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s_vP.xyz 77 4851 0.000216 0.000246 0.012823 0.019041
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s_vv.xyz 65 4030 0.000798 0.001021 0.025625 0.034398
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vP.xyz 10 2150 0.000123 0.000123 0.003821 0.006631
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vv.xyz 19 4066 0.000459 0.000487 0.014390 0.020840
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All files 1894 118214 0.000413 0.000614 0.011846 0.020437
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**************** End of Error Analysis for the Training Data Set ****************
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