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