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 0.011286 0.011334 0.113353 0.141650
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Displaced_BCC.xyz 9 486 0.012178 0.014005 0.240613 0.312191
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Displaced_FCC.xyz 9 432 0.001445 0.001591 0.082688 0.103800
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Elastic_BCC.xyz 100 200 0.004452 0.004783 0.000010 0.000013
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Elastic_FCC.xyz 100 400 0.002865 0.002923 0.000146 0.000207
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GSF_110.xyz 22 528 0.005804 0.006853 0.047276 0.097819
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GSF_112.xyz 22 660 0.010588 0.011555 0.123342 0.191090
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Liquid.xyz 3 300 0.013161 0.015355 0.567536 0.757847
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Surface.xyz 7 236 0.025400 0.037555 0.096121 0.295623
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Volume_A15.xyz 30 240 0.039281 0.048678 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.049766 0.067554 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.030056 0.041738 0.000000 0.000000
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All files 363 4224 0.012917 0.025797 0.122473 0.260052
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**************** End of Error Analysis for the Training Data Set ****************
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