# 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 'H' 'dim' 1 1 1.008 2.9600000000 2.96 3.00 3.00 2.50 0.7410000000 2.37 2.50 1 0.20 -0.10 0.00 18.00 3