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 0.000676 0.000864 0.085152 0.106723
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Displaced_BCC.xyz 9 486 0.004173 0.004452 0.125322 0.159417
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Displaced_FCC.xyz 9 432 0.002184 0.002287 0.067459 0.085235
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Elastic_BCC.xyz 100 200 0.000328 0.000428 0.000022 0.000031
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Elastic_FCC.xyz 100 400 0.000428 0.000545 0.000148 0.000209
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GSF_110.xyz 22 528 0.002796 0.003597 0.027455 0.046689
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GSF_112.xyz 22 660 0.004320 0.004996 0.047264 0.074519
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Liquid.xyz 3 300 0.002654 0.003017 0.249771 0.315210
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Surface.xyz 7 236 0.004945 0.005886 0.044779 0.100990
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Volume_A15.xyz 30 240 0.004419 0.005334 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.004208 0.005697 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.004424 0.005236 0.000000 0.000000
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All files 363 4224 0.001918 0.003222 0.064003 0.118266
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**************** End of Error Analysis for the Training Data Set ****************
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