# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Cr' 'bcc' 8 1 51.960 5.5800716432 6.49 1.00 6.00 1.00 2.8809778433 4.10 0.52 1 2.00 6.80 -8.00 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