case,energy_eV,max_force_eV_A si-electronic,-43.39978821,0.014805439507404027 cu-pdos,-14.91383678,0.0 nio-hubbard-U0,-23.47299701,2.786499416831089e-05 nio-hubbard-U2,-22.23143696,9.031547431088429e-05 nio-hubbard-U4,-21.26722733,1.1376260369734862e-05 nio-hubbard-U6,-20.53583752,1.012907695695911e-05 graphene-bilayer-pbe-3.0,-36.77024203,0.24419267384829157 graphene-bilayer-pbe-3.4,-36.87488584,0.06597840249018613 graphene-bilayer-pbe-3.8,-36.90188154,0.01572222616013712 graphene-bilayer-pbe-4.4,-36.90817255,0.0007752032616030457 graphene-bilayer-d3bj-3.0,-37.28572953,0.19445755639599996 graphene-bilayer-d3bj-3.4,-37.34927332,0.025197601062422588 graphene-bilayer-d3bj-3.8,-37.34194549,0.023123822216445964 graphene-bilayer-d3bj-4.4,-37.31323369,0.021581729184812784 water-ionization-L16-q0-centered,-14.2329785,0.02272671155383022 water-ionization-L16-q1-centered,-1.49773446,2.0960174138650087 water-ionization-L20-q0-centered,-14.23298204,0.021036260271704667 water-ionization-L20-q1-centered,-1.49773327,2.0960959987077277 fluorine-energy-correction-L14-q0,-0.43885824,0.0 fluorine-energy-correction-L14-q-1,-4.36568465,0.0 fluorine-energy-correction-L18-q0,-0.43885201,0.0 fluorine-energy-correction-L18-q-1,-4.36679863,0.0 cu-ads-clean-dipole-centered,-55.80269898,0.00920263 hydrogen-reference,-6.77322023,0.0007735 cu-h-fcc-dipole-centered,-59.3731984,0.01597258442830089 cu-h-hcp-dipole,-59.36598026,0.011973468520645972 cu-h-ontop-dipole,-58.79897094,0.011590621640636881 cu-h-fcc-fd-0--1,-59.37290983,0.039304314975277206 cu-h-fcc-fd-0-+1,-59.37290983,0.039301705000139624 cu-h-fcc-fd-1--1,-59.37291499,0.038261706250805126 cu-h-fcc-fd-1-+1,-59.37290465,0.040313735710684265 cu-h-fcc-fd-2--1,-59.37244567,0.069046040005849 cu-h-fcc-fd-2-+1,-59.373045090000005,0.050086870000420274 h2-vibrations,-6.7694473,0.4940737700003174