# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Pt' 'fcc' 12 1 195.080 6.4956062544 4.92 2.20 6.00 2.20 3.9173715678 5.77 0.90 1 3.94 -2.20 3.84 1.00 3 'Ti' 'hcp' 12 1 47.880 4.7194566335 2.70 1.00 3.00 1.00 2.9200000000 4.87 0.66 1 6.80 -2.00 -12.00 1.00 3