# # Generated by MPC on 20170921T174037 # # # elt lat z ielement atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rozero ibar # 'Al' 'fcc' 12 13 26.981500 4.690000 3.200000 2.600000 6.000000 2.600000 4.050000 3.360000 1.160000 1.000000 3.050000 0.510000 7.750000 0.500000 3 'Si97' 'dia' 4. 14 28.086 4.87 4.4 5.5 5.5 5.5 5.431 4.63 1. 1.0 3.13 4.47 -1.80 2.05 0 'Mg' 'hcp' 12 12 24.305000 5.608000 2.000000 1.300000 1.300000 1.000000 3.190000 1.510000 0.520000 1.000000 5.550000 3.000000 -7.400000 1.000000 3 'Cu' 'fcc' 12 29 63.546000 5.200000 4.250000 2.200000 6.000000 2.200000 3.620000 3.540000 0.960000 1.000000 2.720000 4.2460000 2.50000 1.000000 -5.000000