# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Be' 'hcp' 12 4 9.0122 3.8500 0.54826 0.30416 0.33524 0.00001 2.2833 3.430 1.00 1.00 4.556 21.956 -10.234 1.00 3 'O' 'dim' 1 8 15.999 5.60 2.24826 1.00416 1.33524 1.0001 1.21 2.558 1.36 1. 4.01 0.01 -0.0001 3.77 3