# https://www.sciencedirect.com/science/article/pii/S0927025620306959
#  elt        lat     z       ielement     atwt
#  alpha      b0      b1      b2           b3    alat    esub    asub
#  t0         t1              t2           t3            rozero  ibar
'Cu'        'fcc'   12.     29           63.546
5.16        3.95   3.15    3.85          2.45  3.615    3.54    0.60
1.0         5.70            2.3        4.60          1.0   3
'C'      'dia'   4     6      12.0111
4.3828     3.0    3.2    3.0      2.8 3.567   7.37    1.0
1.0       1.60            0.4         -5.4         1.0     3