# 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 'Ni' 'fcc' 12 1 58.690 5.0842175782 2.56 1.50 6.00 1.50 3.5213917703 4.45 0.94 1 3.60 1.80 4.36 1.00 3