B.hR111 models (Table IV)

VASP setup:
PTYPE=paw_GGA
ENCUT=318.6eV=23.42Ry
KMESH=3x3x3

Note regarding figures: Atom types identify special boron atoms: H=B13; Fe=B15; Mn=B16.
FilenameFiguresCoordinatesEnergy
B13bcdefB16bd figure coords -6.67705
B13bcdefB16bf figure coords -6.67633
B13bcdefB16be figure coords -6.67199
B13abcdefB16a figure coords -6.66495
B13abcdefB16bd figure coords -6.66470
B13bcdefB16a figure coords -6.66419
B13bcdefB16b figure coords -6.66410
B13bcdefB16f figure coords -6.66374
B13bcdefB16bc figure coords -6.66369
B13bcdefB16ab figure coords -6.66339
B13abcdef figure coords -6.65136
B13bcdef figure coords -6.64982
B13abcdefB16abcdef figure coords -6.53974