# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Zr' 'hcp' 12 1 91.220 4.4501908328 2.45 1.00 3.00 2.00 3.2000000000 6.36 0.68 1 6.30 -3.30 -10.00 1.00 3 'H' 'dim' 1 1 51.008 2.9600000000 1.26 1.20 1.20 2.00 0.7100000000 2.37 3.20 1 1.20 0.50 -0.50 16.00 3