# # Generated by MPC on 20170801T113310 # # # 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 'Ni' 'fcc' 12 28 58.690000 5.080000 2.560000 1.500000 6.000000 1.500000 3.521392 4.450000 0.990000 1.000000 3.100000 1.800000 2.200000 1.000000 -5