# elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar '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 '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 'Zn' 'hcp' 12 1 65.390 7.3891842977 3.50 3.00 0.00 2.00 2.7700000000 1.09 0.70 1 3.00 6.00 -10.00 1.00 3