21 lines
1.8 KiB
Plaintext
21 lines
1.8 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 0.000172 0.000193 0.026607 0.033655
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Displaced_BCC.xyz 9 486 0.000310 0.000393 0.055008 0.069094
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Displaced_FCC.xyz 9 432 0.000129 0.000151 0.017964 0.022705
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Elastic_BCC.xyz 100 200 0.000194 0.000243 0.000363 0.000501
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Elastic_FCC.xyz 100 400 0.000220 0.000270 0.000240 0.000314
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GSF_110.xyz 22 528 0.000140 0.000193 0.006529 0.010663
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GSF_112.xyz 22 660 0.000139 0.000176 0.012133 0.019745
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Liquid.xyz 3 300 0.000782 0.000832 0.152382 0.192213
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Surface.xyz 7 236 0.000517 0.000980 0.006328 0.019669
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Volume_A15.xyz 30 240 0.000039 0.000063 0.000000 0.000000
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Volume_BCC.xyz 21 42 0.000313 0.001270 0.000000 0.000000
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Volume_FCC.xyz 31 124 0.000149 0.000441 0.000000 0.000000
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All files 363 4224 0.000197 0.000425 0.025722 0.058968
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**************** End of Error Analysis for the Training Data Set ****************
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