# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1 # composition = CuFe2Sb # 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 2026-06-16 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 3.244673288e+02 3.244673288e+02 0.86 3.074069058e+02 3.074069058e+02 0.88 2.912169291e+02 2.912169291e+02 0.90 2.758513779e+02 2.758513779e+02 0.92 2.612662910e+02 2.612662910e+02 0.94 2.474196469e+02 2.474196469e+02 0.96 2.342712637e+02 2.342712637e+02 0.98 2.217827195e+02 2.217827195e+02 1.00 2.099172960e+02 2.099172960e+02 1.02 1.986399425e+02 1.986399425e+02 1.04 1.879172623e+02 1.879172623e+02 1.06 1.777175154e+02 1.777175154e+02 1.08 1.680106375e+02 1.680106375e+02 1.10 1.587682683e+02 1.587682683e+02 1.12 1.499637844e+02 1.499637844e+02 1.14 1.415723309e+02 1.415723309e+02 1.16 1.335708460e+02 1.335708460e+02 1.18 1.259380706e+02 1.259380706e+02 1.20 1.186545404e+02 1.186545404e+02 1.22 1.117025531e+02 1.117025531e+02 1.24 1.050661107e+02 1.050661107e+02 1.26 9.873083338e+01 9.873083338e+01 1.28 9.268384709e+01 9.268384709e+01 1.30 8.691364730e+01 8.691364730e+01 1.32 8.140994283e+01 8.140994283e+01 1.34 7.616348595e+01 7.616348595e+01 1.36 7.116589533e+01 7.116589533e+01 1.38 6.640947874e+01 6.640947874e+01 1.40 6.188706267e+01 6.188706267e+01 1.42 5.759183471e+01 5.759183471e+01 1.44 5.351720405e+01 5.351720405e+01 1.46 4.965668354e+01 4.965668354e+01 1.48 4.600379559e+01 4.600379559e+01 1.50 4.255200243e+01 4.255200243e+01 1.52 3.929466001e+01 3.929466001e+01 1.54 3.622499373e+01 3.622499373e+01 1.56 3.333609321e+01 3.333609321e+01 1.58 3.062092289e+01 3.062092289e+01 1.60 2.807234511e+01 2.807234511e+01 1.62 2.568315205e+01 2.568315205e+01 1.64 2.344610351e+01 2.344610351e+01 1.66 2.135396757e+01 2.135396757e+01 1.68 1.939956172e+01 1.939956172e+01 1.70 1.757579268e+01 1.757579268e+01 1.72 1.587569331e+01 1.587569331e+01 1.74 1.429245569e+01 1.429245569e+01 1.76 1.281945973e+01 1.281945973e+01 1.78 1.145029704e+01 1.145029704e+01 1.80 1.017879006e+01 1.017879006e+01 1.82 8.999006481e+00 8.999006481e+00 1.84 7.905269427e+00 7.905269427e+00 1.86 6.892163707e+00 6.892163707e+00 1.88 5.954538570e+00 5.954538570e+00 1.90 5.087507483e+00 5.087507483e+00 1.92 4.286445347e+00 4.286445347e+00 1.94 3.546983623e+00 3.546983623e+00 1.96 2.865003757e+00 2.865003757e+00 1.98 2.236629292e+00 2.236629292e+00 2.00 1.658216967e+00 1.658216967e+00 2.02 1.126347131e+00 1.126347131e+00 2.04 6.378135978e-01 6.378135978e-01 2.06 1.894511583e-01 1.894511583e-01 2.08 -2.225320523e-01 -2.225320523e-01 2.10 -5.988220381e-01 -5.988220381e-01 2.12 -9.421053282e-01 -9.421053282e-01 2.14 -1.255242363e+00 -1.255242363e+00 2.16 -1.540373828e+00 -1.540373828e+00 2.18 -1.799497101e+00 -1.799497101e+00 2.20 -2.034475155e+00 -2.034475155e+00 2.22 -2.247045057e+00 -2.247045057e+00 2.24 -2.438826037e+00 -2.438826037e+00 2.26 -2.611327136e+00 -2.611327136e+00 2.28 -2.765954429e+00 -2.765954429e+00 2.30 -2.904017829e+00 -2.904017829e+00 2.32 -3.026737486e+00 -3.026737486e+00 2.34 -3.135249802e+00 -3.135249802e+00 2.36 -3.230613058e+00 -3.230613058e+00 2.38 -3.313812690e+00 -3.313812690e+00 2.40 -3.385766224e+00 -3.385766224e+00 2.42 -3.447327882e+00 -3.447327882e+00 2.44 -3.499292890e+00 -3.499292890e+00 2.46 -3.542401491e+00 -3.542401491e+00 2.48 -3.577342694e+00 -3.577342694e+00 2.50 -3.604757763e+00 -3.604757763e+00 2.52 -3.625243476e+00 -3.625243476e+00 2.54 -3.639355158e+00 -3.639355158e+00 2.56 -3.647609503e+00 -3.647609503e+00 2.58 -3.650487209e+00 -3.650487209e+00 2.60 -3.648435428e+00 -3.648435428e+00 2.62 -3.641870051e+00 -3.641870051e+00 2.64 -3.631177831e+00 -3.631177831e+00 2.66 -3.616718368e+00 -3.616718368e+00 2.68 -3.598825949e+00 -3.598825949e+00 2.70 -3.577811268e+00 -3.577811268e+00 2.72 -3.553963028e+00 -3.553963028e+00 2.74 -3.527549431e+00 -3.527549431e+00 2.76 -3.498819566e+00 -3.498819566e+00 2.78 -3.468004707e+00 -3.468004707e+00 2.80 -3.435319516e+00 -3.435319516e+00 2.82 -3.400963170e+00 -3.400963170e+00 2.84 -3.365120410e+00 -3.365120410e+00 2.86 -3.327962517e+00 -3.327962517e+00 2.88 -3.289648224e+00 -3.289648224e+00 2.90 -3.250324568e+00 -3.250324568e+00 2.92 -3.210127680e+00 -3.210127680e+00 2.94 -3.169183529e+00 -3.169183529e+00 2.96 -3.127608608e+00 -3.127608608e+00 2.98 -3.085510580e+00 -3.085510580e+00 3.00 -3.042988879e+00 -3.042988879e+00 3.02 -3.000135271e+00 -3.000135271e+00 3.04 -2.957034378e+00 -2.957034378e+00 3.06 -2.913764166e+00 -2.913764166e+00 3.08 -2.870396401e+00 -2.870396401e+00 3.10 -2.826997077e+00 -2.826997077e+00 3.12 -2.783626810e+00 -2.783626810e+00 3.14 -2.740341213e+00 -2.740341213e+00 3.16 -2.697191244e+00 -2.697191244e+00 3.18 -2.654223523e+00 -2.654223523e+00 3.20 -2.611480642e+00 -2.611480642e+00 3.22 -2.569001443e+00 -2.569001443e+00 3.24 -2.526821283e+00 -2.526821283e+00 3.26 -2.484972282e+00 -2.484972282e+00 3.28 -2.443483548e+00 -2.443483548e+00 3.30 -2.402381397e+00 -2.402381397e+00 3.32 -2.361689553e+00 -2.361689553e+00 3.34 -2.321429329e+00 -2.321429329e+00 3.36 -2.281619811e+00 -2.281619811e+00 3.38 -2.242277791e+00 -2.242277791e+00 3.40 -2.201993069e+00 -2.201993069e+00 3.42 -2.147537926e+00 -2.147537926e+00 3.44 -2.053022672e+00 -2.053022672e+00 3.46 -1.931598469e+00 -1.931598469e+00 3.48 -1.892439980e+00 -1.892439980e+00 3.50 -1.859404429e+00 -1.859404429e+00 3.52 -1.826872714e+00 -1.826872714e+00 3.54 -1.794848191e+00 -1.794848191e+00 3.56 -1.763333424e+00 -1.763333424e+00 3.58 -1.732330249e+00 -1.732330249e+00 3.60 -1.701839835e+00 -1.701839835e+00 3.62 -1.671862736e+00 -1.671862736e+00 3.64 -1.642398941e+00 -1.642398941e+00 3.66 -1.613447920e+00 -1.613447920e+00 3.68 -1.585008667e+00 -1.585008667e+00 3.70 -1.557079741e+00 -1.557079741e+00 3.72 -1.529659297e+00 -1.529659297e+00 3.74 -1.502745125e+00 -1.502745125e+00 3.76 -1.476334674e+00 -1.476334674e+00 3.78 -1.450425083e+00 -1.450425083e+00 3.80 -1.425013206e+00 -1.425013206e+00 3.82 -1.400095629e+00 -1.400095629e+00 3.84 -1.375668695e+00 -1.375668695e+00 3.86 -1.351728519e+00 -1.351728519e+00 3.88 -1.328271004e+00 -1.328271004e+00 3.90 -1.305291850e+00 -1.305291850e+00 3.92 -1.280215666e+00 -1.280215666e+00 3.94 -1.220148028e+00 -1.220148028e+00 3.96 -1.035511384e+00 -1.035511384e+00 3.98 -5.900842708e-01 -5.900842708e-01 4.00 -3.414497157e-22 -3.422664282e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00