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libmultiscale/test/coupling/LAMMPS_AKANTU/test_qc_static/aniso_aluminum.dat
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aniso_aluminum.dat
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material anisotropic [
name = anisotropic_mendelev_aluminum
rho = 1.63037479644789564689 #gramm/mol/Å^3
C11 = 0.704900709218 # eV/Å^3
C12 = 0.338498502279 # eV/Å^3
C13 = 0.354821115208 # eV/Å^3
C14 = -0.0230836605725 # eV/Å^3
C15 = -2.79403897311e-12 # eV/Å^3
C16 = 1.1599374516e-12 # eV/Å^3
C22 = 0.721223322135 # eV/Å^3
C23 = 0.338498502281 # eV/Å^3
C24 = -1.96666053374e-12 # eV/Å^3
C25 = 1.30679781754e-12 # eV/Å^3
C26 = 2.06979318692e-12 # eV/Å^3
C33 = 0.704900709216 # eV/Å^3
C34 = 0.0230836605742 # eV/Å^3
C35 = -1.33369523923e-12 # eV/Å^3
C36 = -1.23504179396e-12 # eV/Å^3
C44 = 0.158717184079 # eV/Å^3
C45 = 5.91831974447e-14 # eV/Å^3
C46 = -5.23535141127e-13 # eV/Å^3
C55 = 0.175039797006 # eV/Å^3
C56 = -0.023083660572 # eV/Å^3
C66 = 0.158717184076 # eV/Å^3
]
#material anisotropic [
# name = aniso_lj_al
# rho = 1.6465129043044597 #gramm/mol/Å^3
# C11 = 93.352228259771720786* 0.0062415096 # eV/Å^3
# C22 = 93.352228243536899299* 0.0062415096 # eV/Å^3
# C33 = 93.35216388218751149* 0.0062415096 # eV/Å^3
# C12 = 52.035263893502012422* 0.0062415096 # eV/Å^3
# C13 = 52.035236178252461059* 0.0062415096 # eV/Å^3
# C23 = 52.035236173638494961* 0.0062415096 # eV/Å^3
# C44 = 52.035254301925945697* 0.0062415096 # eV/Å^3
# C55 = 52.035254301958524081* 0.0062415096 # eV/Å^3
# C66 = 52.035253658408969102* 0.0062415096 # eV/Å^3
# C14 = -1.084035262798769108e-10* 0.0062415096 # eV/Å^3
# C15 = -1.7745599145920530354e-11* 0.0062415096 # eV/Å^3
# C16 = 2.5112144453089686125e-10* 0.0062415096 # eV/Å^3
# C24 = -1.7039521043914108994e-11* 0.0062415096 # eV/Å^3
# C25 = 1.1767641489812594095e-10* 0.0062415096 # eV/Å^3
# C26 = -2.3704747637204618279e-10* 0.0062415096 # eV/Å^3
# C34 = -2.3229325758079170286e-10* 0.0062415096 # eV/Å^3
# C35 = 3.1678487923582864588e-11* 0.0062415096 # eV/Å^3
# C36 = 2.1073490800205590089e-10* 0.0062415096 # eV/Å^3
# C45 = -6.4580818924908065068e-11* 0.0062415096 # eV/Å^3
# C46 = 1.666298097625179236e-11* 0.0062415096 # eV/Å^3
# C56 = 1.8870590602766501897e-10* 0.0062415096 # eV/Å^3
#]
#material elastic [
# name = nimporte
# rho = 1.6465129043044597 #gramm/mol/Å^3
# E = 0.42442264461332484984 # eV/Å^3
# nu = 0.3068034044
#]
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