# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Pd' 'fcc' 12 1 106.420 6.4264647750 5.15 2.20 6.00 2.20 3.8890872965 3.91 0.94 1 4.50 1.47 4.85 1.00 3 'Fe' 'bcc' 8 1 55.847 5.1571615396 4.15 1.00 1.00 1.00 2.8636573352 4.29 0.56 1 2.60 1.80 -7.20 1.00 3