structure PBE+vdW_T_S PBE LDA PBE+MBD SCAN Ih 0.1098931645 -0.7848949064 -0.7265761975 -0.7899257004 -0.5426034242 IX 0.006706446916 -0.7159807182 -0.5606190432 -0.7593981917 -0.3449079525 II 0.1028569422 -0.6410942909 -0.3733586372 -0.6432822973 -0.1984288283 XIII 0.03463538025 -0.6560124074 -0.3409410031 -0.9137941243 -0.1679596761 XIV 0.03170652658 -0.6303843901 -0.2938695049 -0.783415705 -0.08952965333 XV 0.0874483966 -0.5885550395 -0.1958288253 -0.603154557 -0.024975779 VIII 0.276891751 -0.5302760038 0.08028417325 -0.5231626737 0.2882628212