#elt lat z iel atwt # alpha b0 b1 b2 b3 alat esub asub # t0 t1 t2 t3 rhozero ibar 'Si' 'dia' 4 1 28.0860 4.9036222512 3.550 2.500 0.000 7.500 5.4270925304 4.630 0.580 1.00 1.800 5.250 -2.610 1.880 3 'C' 'dia' 4 1 12.0110 4.3651999166 4.250 2.800 2.000 5.000 3.5564776582 7.370 1.180 1.00 3.200 1.440 -0.980 5.000 3