# References: # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar #Ualex 'U' 'fcc' 12 92 238.03 5.1 4.80 6.0 6 6 4.280 5.27 0.98 1 2.50 4 1.0 1 0 'Zr' 'bcc' 8 40 91.2 4.1 2.8 2 7 1 3.535 6.2 0.48 1 3 2 -7 1 0