# 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 'Nb' 'bcc' 8 1 92.906 4.8400584775 5.08 1.00 2.50 1.00 3.3024435398 7.47 0.72 1 1.70 2.80 -1.60 1.00 3 'C' 'dia' 4 1 12.011 4.3651999166 4.25 2.80 2.00 5.00 3.5564776582 7.37 1.18 1 3.20 1.44 -4.48 6.00 3