Br fcc LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 3.3006330132484436
Warning: Maximum number of iterations has been exceeded.

C11 =  3339.060337 +/-     0.007336 GPa
C12 =  1905.080892 +/-     0.005187 GPa
C44 =  1909.040511 +/-     0.001834 GPa
B   =  2383.074040 +/-     0.004235 GPa