# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar '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 '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