index,role,LDA_eV,PBE_target_eV,frozen_corrected_eV,selfconsistent_corrected_eV,LDA_abs_error_eV,frozen_abs_error_eV,SCF_abs_error_eV,SCF_NN_correction_eV,LDA_force_RMSE_eV_A,SCF_force_RMSE_eV_A
0,training,-463.3672337503004,-466.0469345958039,-466.04721095921184,-466.0473141158054,2.6797008455035325,0.0002763634079201438,0.0003795200015019873,-2.6801895968715517,0.17384148968230953,0.003110317136171076
1,training,-463.3365364281832,-466.0201653487538,-466.0200005670898,-466.0201045930656,2.683628920570584,0.00016478166395472726,6.0755688195968105e-05,-2.6836782657746396,0.18192248290264534,0.016829363889468107
2,training,-463.359656332515,-466.0358474685483,-466.036103752291,-466.0362104022799,2.67619113603331,0.0002562837427149134,0.00036293373159423936,-2.6766605291765337,0.1675256261679098,0.016058901540565607
3,training,-463.3797324809717,-466.0430633619712,-466.04262765408686,-466.0427393945941,2.6633308809994674,0.0004357078843213458,0.00032396737708495493,-2.6631184557751526,0.15020586312724163,0.01751280183175129
4,training,-463.3325295400193,-465.9967986389163,-465.99705171600505,-465.9971585976802,2.664269098896966,0.0002530770887574363,0.0003599587639087076,-2.6647420237268094,0.15035836291991975,0.02510745849112478
5,training,-463.2899492761536,-465.9806423417008,-465.98045730946245,-465.9805619754936,2.6906930655471797,0.00018503223833477023,8.036620721441068e-05,-2.6907171601007747,0.18601687030116332,0.01982597109692408
6,heldout,-463.384259640375,-466.053434699937,-466.0532427902282,-466.0533522341861,2.669175059562008,0.00019190970880345048,8.246575089287944e-05,-2.6692018470076126,0.16023647844071062,0.01489880005133453
7,heldout,-463.339986859537,-466.0171127206827,-466.01669544338114,-466.0168028509709,2.6771258611456688,0.0004172773015511666,0.0003098697117707161,-2.676923205952757,0.17010032045423218,0.024102472806732465