# 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 'Mn' 'bcc' 8 1 54.940 5.7345791984 4.30 1.00 2.00 6.50 2.9213923621 2.90 0.70 1 4.00 -3.00 -4.00 1.00 3