# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Ni' 'fcc' 12 1 58.690 5.0842175782 2.56 1.50 6.00 1.50 3.5213917703 4.45 0.94 1 3.10 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 '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