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 0.000554 0.000680 0.066393 0.083014
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Displaced_BCC.xyz 9 486 0.004724 0.005103 0.108253 0.139461
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Displaced_FCC.xyz 9 432 0.001704 0.001900 0.077531 0.097471
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Elastic_BCC.xyz 100 200 0.000444 0.000446 0.000001 0.000002
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Elastic_FCC.xyz 100 400 0.000273 0.000327 0.000110 0.000163
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GSF_110.xyz 22 528 0.001852 0.002260 0.027303 0.044765
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GSF_112.xyz 22 660 0.001839 0.002404 0.051415 0.080350
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Liquid.xyz 3 300 0.000674 0.000758 0.217921 0.276109
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Surface.xyz 7 236 0.009115 0.011661 0.047949 0.105123
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Volume_A15.xyz 30 240 0.001407 0.001693 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.001497 0.002077 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.000870 0.001139 0.000000 0.000000
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All files 363 4224 0.001053 0.002171 0.059051 0.106960
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**************** End of Error Analysis for the Training Data Set ****************
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