# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar 'Li' 'bcc' 8 1 6.940 3.0982595559 1.65 1.00 4.00 1.00 3.4871956259 1.65 0.95 1 2.30 5.00 0.50 1.00 3 '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 'Mg' 'hcp' 12 1 24.320 5.5663414489 2.30 1.00 3.00 1.00 3.2000000000 1.55 0.52 1 9.00 -2.00 -9.50 1.00 3 'Y' 'hcp' 12 1 88.906 4.3749285293 2.00 1.00 1.00 3.50 3.6070000000 4.37 0.90 1 8.00 8.00 -8.50 1.00 3 'Ca' 'fcc' 12 1 40.078 4.9263301937 4.00 2.20 2.00 2.20 5.5804867171 1.84 0.40 1 1.70 -7.70 6.00 1.00 3 'Sn' 'fcc' 12 1 118.710 6.2000000000 6.20 6.00 6.00 6.00 4.8648946546 3.08 1.00 1 4.50 6.50 -0.183 1.60 3