# 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-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = Bi2CuFe # 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 7.055773442e+02 7.055773442e+02 0.86 6.682568904e+02 6.682568904e+02 0.88 6.328702608e+02 6.328702608e+02 0.90 5.993183267e+02 5.993183267e+02 0.92 5.675070275e+02 5.675070275e+02 0.94 5.373471104e+02 5.373471104e+02 0.96 5.087538833e+02 5.087538833e+02 0.98 4.816469812e+02 4.816469812e+02 1.00 4.559501435e+02 4.559501435e+02 1.02 4.315910041e+02 4.315910041e+02 1.04 4.085008914e+02 4.085008914e+02 1.06 3.866146387e+02 3.866146387e+02 1.08 3.658704052e+02 3.658704052e+02 1.10 3.462095055e+02 3.462095055e+02 1.12 3.275762476e+02 3.275762476e+02 1.14 3.099177803e+02 3.099177803e+02 1.16 2.931839461e+02 2.931839461e+02 1.18 2.773271381e+02 2.773271381e+02 1.20 2.623021518e+02 2.623021518e+02 1.22 2.480660093e+02 2.480660093e+02 1.24 2.345777190e+02 2.345777190e+02 1.26 2.217979121e+02 2.217979121e+02 1.28 2.096882956e+02 2.096882956e+02 1.30 1.982108917e+02 1.982108917e+02 1.32 1.873271100e+02 1.873271100e+02 1.34 1.769968064e+02 1.769968064e+02 1.36 1.671775956e+02 1.671775956e+02 1.38 1.578247309e+02 1.578247309e+02 1.40 1.488918330e+02 1.488918330e+02 1.42 1.403325990e+02 1.403325990e+02 1.44 1.321033874e+02 1.321033874e+02 1.46 1.241663085e+02 1.241663085e+02 1.48 1.164922221e+02 1.164922221e+02 1.50 1.090629573e+02 1.090629573e+02 1.52 1.018721658e+02 1.018721658e+02 1.54 9.492451893e+01 9.492451893e+01 1.56 8.823336012e+01 8.823336012e+01 1.58 8.181730312e+01 8.181730312e+01 1.60 7.569647999e+01 7.569647999e+01 1.62 6.988913861e+01 6.988913861e+01 1.64 6.440909407e+01 6.440909407e+01 1.66 5.926425617e+01 5.926425617e+01 1.68 5.445619012e+01 5.445619012e+01 1.70 4.998049158e+01 4.998049158e+01 1.72 4.582768657e+01 4.582768657e+01 1.74 4.198437986e+01 4.198437986e+01 1.76 3.843443742e+01 3.843443742e+01 1.78 3.516006281e+01 3.516006281e+01 1.80 3.214269584e+01 3.214269584e+01 1.82 2.936371124e+01 2.936371124e+01 1.84 2.680492716e+01 2.680492716e+01 1.86 2.444894973e+01 2.444894973e+01 1.88 2.227938584e+01 2.227938584e+01 1.90 2.028095538e+01 2.028095538e+01 1.92 1.843953095e+01 1.843953095e+01 1.94 1.674212721e+01 1.674212721e+01 1.96 1.517685763e+01 1.517685763e+01 1.98 1.373287152e+01 1.373287152e+01 2.00 1.240028058e+01 1.240028058e+01 2.02 1.117008155e+01 1.117008155e+01 2.04 1.003407898e+01 1.003407898e+01 2.06 8.984811046e+00 8.984811046e+00 2.08 8.015479816e+00 8.015479816e+00 2.10 7.119886804e+00 7.119886804e+00 2.12 6.292374126e+00 6.292374126e+00 2.14 5.527771197e+00 5.527771197e+00 2.16 4.821346733e+00 4.821346733e+00 2.18 4.168765700e+00 4.168765700e+00 2.20 3.566050824e+00 3.566050824e+00 2.22 3.009548193e+00 3.009548193e+00 2.24 2.495896596e+00 2.495896596e+00 2.26 2.022000140e+00 2.022000140e+00 2.28 1.585003830e+00 1.585003830e+00 2.30 1.182271751e+00 1.182271751e+00 2.32 8.113675645e-01 8.113675645e-01 2.34 4.700370434e-01 4.700370434e-01 2.36 1.561924156e-01 1.561924156e-01 2.38 -1.321016947e-01 -1.321016947e-01 2.40 -3.966409196e-01 -3.966409196e-01 2.42 -6.390925445e-01 -6.390925445e-01 2.44 -8.610058056e-01 -8.610058056e-01 2.46 -1.063821198e+00 -1.063821198e+00 2.48 -1.248878921e+00 -1.248878921e+00 2.50 -1.417426538e+00 -1.417426538e+00 2.52 -1.570625955e+00 -1.570625955e+00 2.54 -1.709559770e+00 -1.709559770e+00 2.56 -1.835237085e+00 -1.835237085e+00 2.58 -1.948598810e+00 -1.948598810e+00 2.60 -2.050522532e+00 -2.050522532e+00 2.62 -2.141826976e+00 -2.141826976e+00 2.64 -2.223276118e+00 -2.223276118e+00 2.66 -2.295582959e+00 -2.295582959e+00 2.68 -2.359413017e+00 -2.359413017e+00 2.70 -2.415387540e+00 -2.415387540e+00 2.72 -2.464086492e+00 -2.464086492e+00 2.74 -2.506051302e+00 -2.506051302e+00 2.76 -2.541787422e+00 -2.541787422e+00 2.78 -2.571766703e+00 -2.571766703e+00 2.80 -2.596429591e+00 -2.596429591e+00 2.82 -2.616187182e+00 -2.616187182e+00 2.84 -2.631423127e+00 -2.631423127e+00 2.86 -2.642495413e+00 -2.642495413e+00 2.88 -2.649738016e+00 -2.649738016e+00 2.90 -2.653462449e+00 -2.653462449e+00 2.92 -2.653959207e+00 -2.653959207e+00 2.94 -2.651499117e+00 -2.651499117e+00 2.96 -2.646334599e+00 -2.646334599e+00 2.98 -2.638700845e+00 -2.638700845e+00 3.00 -2.628816923e+00 -2.628816923e+00 3.02 -2.616886814e+00 -2.616886814e+00 3.04 -2.603100377e+00 -2.603100377e+00 3.06 -2.587634259e+00 -2.587634259e+00 3.08 -2.570652740e+00 -2.570652740e+00 3.10 -2.552308537e+00 -2.552308537e+00 3.12 -2.532743546e+00 -2.532743546e+00 3.14 -2.512089541e+00 -2.512089541e+00 3.16 -2.490468835e+00 -2.490468835e+00 3.18 -2.467994895e+00 -2.467994895e+00 3.20 -2.444772915e+00 -2.444772915e+00 3.22 -2.420900362e+00 -2.420900362e+00 3.24 -2.396467485e+00 -2.396467485e+00 3.26 -2.371557785e+00 -2.371557785e+00 3.28 -2.346248465e+00 -2.346248465e+00 3.30 -2.320610850e+00 -2.320610850e+00 3.32 -2.294710776e+00 -2.294710776e+00 3.34 -2.268608957e+00 -2.268608957e+00 3.36 -2.242361331e+00 -2.242361331e+00 3.38 -2.216019388e+00 -2.216019388e+00 3.40 -2.189640955e+00 -2.189640955e+00 3.42 -2.161993651e+00 -2.161993651e+00 3.44 -2.115676028e+00 -2.115676028e+00 3.46 -2.026694639e+00 -2.026694639e+00 3.48 -1.998743488e+00 -1.998743488e+00 3.50 -1.976194492e+00 -1.976194492e+00 3.52 -1.953947795e+00 -1.953947795e+00 3.54 -1.932004305e+00 -1.932004305e+00 3.56 -1.910363029e+00 -1.910363029e+00 3.58 -1.889021174e+00 -1.889021174e+00 3.60 -1.867974260e+00 -1.867974260e+00 3.62 -1.847216227e+00 -1.847216227e+00 3.64 -1.826739573e+00 -1.826739573e+00 3.66 -1.806535484e+00 -1.806535484e+00 3.68 -1.786593999e+00 -1.786593999e+00 3.70 -1.766904182e+00 -1.766904182e+00 3.72 -1.747454315e+00 -1.747454315e+00 3.74 -1.728232101e+00 -1.728232101e+00 3.76 -1.709224895e+00 -1.709224895e+00 3.78 -1.690419922e+00 -1.690419922e+00 3.80 -1.671804515e+00 -1.671804515e+00 3.82 -1.653366340e+00 -1.653366340e+00 3.84 -1.635093612e+00 -1.635093612e+00 3.86 -1.616975292e+00 -1.616975292e+00 3.88 -1.599001253e+00 -1.599001253e+00 3.90 -1.581162422e+00 -1.581162422e+00 3.92 -1.561176635e+00 -1.561176635e+00 3.94 -1.508826546e+00 -1.508826546e+00 3.96 -1.329511841e+00 -1.329511841e+00 3.98 -8.197271227e-01 -8.197271227e-01 4.00 -4.617046059e-22 -4.616942392e-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 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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