# # Generated by MPC on 20170630T161032 # # # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar # 'Al' 'fcc' 12 13 27.000000 4.610000 3.200000 2.600000 6.000000 2.600000 4.050000 3.360000 1.160000 1.000000 3.050000 0.510000 7.750000 1.000000 -5 'Fe' 'bcc' 8 26 55.845000 5.030000 3.670000 1.000000 1.000000 1.000000 2.851000 4.290000 0.570000 1.000000 2.900000 1.000000 -8.700000 1.000000 -5