# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoFeNi2 # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2024-11-27 r L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 -4.478667882e+02 -4.478667882e+02 1.06 -4.225134022e+02 -4.225134022e+02 1.08 -3.990720519e+02 -3.990720519e+02 1.10 -3.771422747e+02 -3.771422747e+02 1.12 -3.564147664e+02 -3.564147664e+02 1.14 -3.367163854e+02 -3.367163854e+02 1.16 -3.178766951e+02 -3.178766951e+02 1.18 -2.997880675e+02 -2.997880675e+02 1.20 -2.824588983e+02 -2.824588983e+02 1.22 -2.660249306e+02 -2.660249306e+02 1.24 -2.507449758e+02 -2.507449758e+02 1.26 -2.367826482e+02 -2.367826482e+02 1.28 -2.241068536e+02 -2.241068536e+02 1.30 -2.124166447e+02 -2.124166447e+02 1.32 -2.015044459e+02 -2.015044459e+02 1.34 -1.912010705e+02 -1.912010705e+02 1.36 -1.813406611e+02 -1.813406611e+02 1.38 -1.717726637e+02 -1.717726637e+02 1.40 -1.623798329e+02 -1.623798329e+02 1.42 -1.531113253e+02 -1.531113253e+02 1.44 -1.439457563e+02 -1.439457563e+02 1.46 -1.348755477e+02 -1.348755477e+02 1.48 -1.258490097e+02 -1.258490097e+02 1.50 -1.168782350e+02 -1.168782350e+02 1.52 -1.079943013e+02 -1.079943013e+02 1.54 -9.923882128e+01 -9.923882128e+01 1.56 -9.066907241e+01 -9.066907241e+01 1.58 -8.239129891e+01 -8.239129891e+01 1.60 -7.448943931e+01 -7.448943931e+01 1.62 -6.700846733e+01 -6.700846733e+01 1.64 -5.995333823e+01 -5.995333823e+01 1.66 -5.331963728e+01 -5.331963728e+01 1.68 -4.710668967e+01 -4.710668967e+01 1.70 -4.126793890e+01 -4.126793890e+01 1.72 -3.575771129e+01 -3.575771129e+01 1.74 -3.055261584e+01 -3.055261584e+01 1.76 -2.563202436e+01 -2.563202436e+01 1.78 -2.099670744e+01 -2.099670744e+01 1.80 -1.664973585e+01 -1.664973585e+01 1.82 -1.271334544e+01 -1.271334544e+01 1.84 -9.337129879e+00 -9.337129879e+00 1.86 -6.656463756e+00 -6.656463756e+00 1.88 -4.744505044e+00 -4.744505044e+00 1.90 -3.431658366e+00 -3.431658366e+00 1.92 -2.570583910e+00 -2.570583910e+00 1.94 -2.046842710e+00 -2.046842710e+00 1.96 -1.771386564e+00 -1.771386564e+00 1.98 -1.673139532e+00 -1.673139532e+00 2.00 -1.695968271e+00 -1.695968171e+00 2.02 -1.798755026e+00 -1.798755026e+00 2.04 -1.956942342e+00 -1.956942342e+00 2.06 -2.146892436e+00 -2.146892436e+00 2.08 -2.352665380e+00 -2.352665380e+00 2.10 -2.564458037e+00 -2.564458037e+00 2.12 -2.779605355e+00 -2.779605355e+00 2.14 -2.984477186e+00 -2.984477186e+00 2.16 -3.184993005e+00 -3.184993005e+00 2.18 -3.370757958e+00 -3.370757958e+00 2.20 -3.537088612e+00 -3.537088612e+00 2.22 -3.682019255e+00 -3.682019255e+00 2.24 -3.806669251e+00 -3.806669251e+00 2.26 -3.912885009e+00 -3.912885009e+00 2.28 -4.003269423e+00 -4.003269423e+00 2.30 -4.080350157e+00 -4.080350157e+00 2.32 -4.146090927e+00 -4.146090927e+00 2.34 -4.192210372e+00 -4.192210372e+00 2.36 -4.233561055e+00 -4.233561055e+00 2.38 -4.266926927e+00 -4.266926927e+00 2.40 -4.284756783e+00 -4.284756783e+00 2.42 -4.299332352e+00 -4.299332352e+00 2.44 -4.306866285e+00 -4.306866285e+00 2.46 -4.307870281e+00 -4.307870281e+00 2.48 -4.302623061e+00 -4.302623061e+00 2.50 -4.291771750e+00 -4.291771750e+00 2.52 -4.275730838e+00 -4.275730838e+00 2.54 -4.254184243e+00 -4.254184243e+00 2.56 -4.226886663e+00 -4.226886663e+00 2.58 -4.193917268e+00 -4.193917268e+00 2.60 -4.154072883e+00 -4.154072883e+00 2.62 -4.109501013e+00 -4.109501013e+00 2.64 -4.059878627e+00 -4.059878627e+00 2.66 -4.005653655e+00 -4.005653655e+00 2.68 -3.947198232e+00 -3.947198232e+00 2.70 -3.884911385e+00 -3.884911385e+00 2.72 -3.819297037e+00 -3.819297037e+00 2.74 -3.750935496e+00 -3.750935496e+00 2.76 -3.680472086e+00 -3.680472086e+00 2.78 -3.608672226e+00 -3.608672226e+00 2.80 -3.536412405e+00 -3.536412405e+00 2.82 -3.464550358e+00 -3.464550358e+00 2.84 -3.393814777e+00 -3.393814777e+00 2.86 -3.324772868e+00 -3.324772868e+00 2.88 -3.257778425e+00 -3.257778425e+00 2.90 -3.193013563e+00 -3.193013563e+00 2.92 -3.130495842e+00 -3.130495842e+00 2.94 -3.069956550e+00 -3.069956550e+00 2.96 -3.010812292e+00 -3.010812292e+00 2.98 -2.950714375e+00 -2.950714375e+00 3.00 -2.885620797e+00 -2.885620798e+00 3.02 -2.812784721e+00 -2.812784721e+00 3.04 -2.731833549e+00 -2.731833549e+00 3.06 -2.639588124e+00 -2.639588124e+00 3.08 -2.534015742e+00 -2.534015742e+00 3.10 -2.413097481e+00 -2.413097481e+00 3.12 -2.274865131e+00 -2.274865131e+00 3.14 -2.112502721e+00 -2.112502721e+00 3.16 -1.932522849e+00 -1.932522849e+00 3.18 -1.731449551e+00 -1.731449551e+00 3.20 -1.512250660e+00 -1.512250660e+00 3.22 -1.282277269e+00 -1.282277269e+00 3.24 -1.049202160e+00 -1.049202160e+00 3.26 -8.204604017e-01 -8.204604017e-01 3.28 -6.028051480e-01 -6.028051480e-01 3.30 -4.016939620e-01 -4.016939620e-01 3.32 -2.207003114e-01 -2.207003114e-01 3.34 -6.120846165e-02 -6.120846165e-02 3.36 7.734906401e-02 7.734906401e-02 3.38 1.969767378e-01 1.969767378e-01 3.40 3.004450769e-01 3.004450769e-01 3.42 3.905442510e-01 3.905442510e-01 3.44 4.696791221e-01 4.696791221e-01 3.46 5.396913186e-01 5.396913186e-01 3.48 6.018735770e-01 6.018735770e-01 3.50 6.570915568e-01 6.570915568e-01 3.52 7.059367627e-01 7.059367627e-01 3.54 7.488630925e-01 7.488630925e-01 3.56 7.862852434e-01 7.862852434e-01 3.58 8.186292384e-01 8.186292384e-01 3.60 8.463431368e-01 8.463431368e-01 3.62 8.698917374e-01 8.698917374e-01 3.64 8.897478431e-01 8.897478431e-01 3.66 9.063702024e-01 9.063702024e-01 3.68 9.180925109e-01 9.180925109e-01 3.70 9.277172934e-01 9.277172934e-01 3.72 9.344573946e-01 9.344573946e-01 3.74 9.384701564e-01 9.384701564e-01 3.76 9.398778164e-01 9.398778164e-01 3.78 9.387674920e-01 9.387674920e-01 3.80 9.351915723e-01 9.351915723e-01 3.82 9.291674516e-01 9.291674516e-01 3.84 9.206768201e-01 9.206768201e-01 3.86 9.096726833e-01 9.096726833e-01 3.88 8.961421861e-01 8.961421861e-01 3.90 8.800967266e-01 8.800967266e-01 3.92 8.615448237e-01 8.615448237e-01 3.94 8.405131887e-01 8.405131887e-01 3.96 8.170710338e-01 8.170710338e-01 3.98 7.913049963e-01 7.913049963e-01 4.00 7.633160507e-01 7.633160507e-01 4.02 7.332205497e-01 7.332205497e-01 4.04 7.011510705e-01 7.011510705e-01 4.06 6.672570895e-01 6.672570895e-01 4.08 6.317055463e-01 6.317055463e-01 4.10 5.946815151e-01 5.946815151e-01 4.12 5.563885921e-01 5.563885921e-01 4.14 5.170518581e-01 5.170518581e-01 4.16 4.769195731e-01 4.769195731e-01 4.18 4.362599318e-01 4.362599318e-01 4.20 3.953548635e-01 3.953548635e-01 4.22 3.544793468e-01 3.544793468e-01 4.24 3.139184865e-01 3.139184865e-01 4.26 2.739735074e-01 2.739735074e-01 4.28 2.349612207e-01 2.349612207e-01 4.30 1.972122336e-01 1.972122336e-01 4.32 1.610679184e-01 1.610679184e-01 4.34 1.268768707e-01 1.268768707e-01 4.36 9.499076822e-02 9.499076822e-02 4.38 6.575853789e-02 6.575853789e-02 4.40 3.951955939e-02 3.951955939e-02 4.42 1.659418064e-02 1.659418064e-02 4.44 -2.725841853e-03 -2.725841853e-03 4.46 -1.819064789e-02 -1.819064789e-02 4.48 -2.960568896e-02 -2.960568896e-02 4.50 -3.684774843e-02 -3.684774843e-02 4.52 -3.989887839e-02 -3.989887839e-02 4.54 -3.901188158e-02 -3.901188158e-02 4.56 -3.464629448e-02 -3.464629448e-02 4.58 -2.737725963e-02 -2.737725963e-02 4.60 -1.788297106e-02 -1.788297106e-02 4.62 -6.923921736e-03 -6.923921736e-03 4.64 4.691889670e-03 4.691889670e-03 4.66 1.615566520e-02 1.615566520e-02 4.68 2.671388944e-02 2.671388944e-02 4.70 3.572636154e-02 3.572636154e-02 4.72 4.271840730e-02 4.271840730e-02 4.74 4.741433354e-02 4.741433354e-02 4.76 4.975053994e-02 4.975053994e-02 4.78 4.986458767e-02 4.986458767e-02 4.80 4.805498188e-02 4.805498188e-02 4.82 4.471933232e-02 4.471933232e-02 4.84 4.030923957e-02 4.030923957e-02 4.86 3.527612887e-02 3.527612887e-02 4.88 3.003086380e-02 3.003086380e-02 4.90 2.491158069e-02 2.491158069e-02 4.92 2.016901958e-02 2.016901958e-02 4.94 1.596118191e-02 1.596118191e-02 4.96 1.235897046e-02 1.235897046e-02 4.98 9.355174793e-03 9.355174793e-03 5.00 6.887974847e-03 6.887974847e-03 5.02 4.850259568e-03 4.850259568e-03 5.04 3.110231384e-03 3.110231384e-03 5.06 1.525953676e-03 1.525953676e-03 5.08 -4.491830900e-05 -4.491830900e-05 5.10 -1.746029503e-03 -1.746029503e-03 5.12 -3.722773312e-03 -3.722773312e-03 5.14 -6.120236311e-03 -6.120236311e-03 5.16 -9.085273129e-03 -9.085273129e-03 5.18 -1.276464088e-02 -1.276464088e-02 5.20 -2.459769388e-03 -2.459769388e-03 5.22 -2.300992355e-03 -2.300992355e-03 5.24 -2.004669711e-03 -2.004669711e-03 5.26 -1.588280054e-03 -1.588280054e-03 5.28 -1.073268723e-03 -1.073268723e-03 5.30 -4.850551570e-04 -4.850551570e-04 5.32 1.467494740e-04 1.467494740e-04 5.34 7.900362086e-04 7.900362086e-04 5.36 1.412114626e-03 1.412114626e-03 5.38 1.980389499e-03 1.980389499e-03 5.40 2.465824249e-03 2.465824249e-03 5.42 2.844963826e-03 2.844963826e-03 5.44 3.101185362e-03 3.101185362e-03 5.46 3.227885950e-03 3.227885950e-03 5.48 3.228133167e-03 3.228133167e-03 5.50 3.114696071e-03 3.114696071e-03 5.52 2.909339269e-03 2.909339269e-03 5.54 2.636064258e-03 2.636064258e-03 5.56 2.315353264e-03 2.315353264e-03 5.58 1.967259083e-03 1.967259083e-03 5.60 1.612680370e-03 1.612680370e-03 5.62 1.270176629e-03 1.270176629e-03 5.64 9.556973794e-04 9.556973794e-04 5.66 6.811277847e-04 6.811277847e-04 5.68 4.539366764e-04 4.539366764e-04 5.70 2.772750053e-04 2.772750053e-04 5.72 1.500575913e-04 1.500575913e-04 5.74 6.769258821e-05 6.769258821e-05 5.76 2.229825718e-05 2.229825718e-05 5.78 3.624927298e-06 3.624927298e-06 5.80 5.334066780e-09 5.334066780e-09 5.82 -1.119227041e-06 -1.119227041e-06 5.84 -1.273739283e-05 -1.273739283e-05 5.86 -4.782218340e-05 -4.782218340e-05 5.88 -1.191878614e-04 -1.191878614e-04 5.90 -2.398013589e-04 -2.398013589e-04 5.92 -4.226504953e-04 -4.226504953e-04 5.94 -6.805395599e-04 -6.805395599e-04 5.96 -1.026273276e-03 -1.026273276e-03 5.98 -1.472819619e-03 -1.472819619e-03 6.00 -9.800912830e-04 -9.730454344e-04