# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Co' 'hcp' 12 1 58.933 5.2356147485 3.50 0.00 0.00 4.00 2.5000000000 4.41 0.90 1 3.00 5.00 -1.00 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