# 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 'Al' 'fcc' 12 1 26.982 4.6855976824 3.20 2.60 6.00 2.60 4.0446507884 3.36 1.16 1 3.05 0.51 7.75 1.00 3 'Co' 'hcp' 12 1 58.933 5.2356147485 3.50 0.00 0.00 4.00 2.5000000000 4.41 0.90 1 3.50 5.00 -1.00 1.00 3 'Cu' 'fcc' 12 1 63.546 5.1548300830 3.83 2.20 6.00 2.20 3.6133156519 3.54 0.94 1 2.72 3.04 1.95 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 'Mo' 'bcc' 8 1 89.960 5.8381780760 5.95 9.00 3.00 1.00 3.1465589671 6.81 0.61 1 2.00 7.75 -7.00 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 'Ti' 'hcp' 12 1 47.880 4.7194566335 2.70 1.00 3.00 1.00 2.9200000000 4.87 0.66 1 6.80 -2.00 -12.00 1.00 3