# 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-As # implementation = 2026--Park-J-H--Fe-Cu-As--LAMMPS--ipr1 # composition = As2CuFe # 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 2.404465459e+02 2.404465459e+02 0.86 2.249005681e+02 2.249005681e+02 0.88 2.102595395e+02 2.102595395e+02 0.90 1.964740118e+02 1.964740118e+02 0.92 1.834971314e+02 1.834971314e+02 0.94 1.712845070e+02 1.712845070e+02 0.96 1.597940835e+02 1.597940835e+02 0.98 1.489860223e+02 1.489860223e+02 1.00 1.388225877e+02 1.388225877e+02 1.02 1.292680387e+02 1.292680387e+02 1.04 1.202885264e+02 1.202885264e+02 1.06 1.118519967e+02 1.118519967e+02 1.08 1.039280979e+02 1.039280979e+02 1.10 9.648809163e+01 9.648809163e+01 1.12 8.950476685e+01 8.950476685e+01 1.14 8.295234865e+01 8.295234865e+01 1.16 7.680638780e+01 7.680638780e+01 1.18 7.104360272e+01 7.104360272e+01 1.20 6.564163992e+01 6.564163992e+01 1.22 6.057873753e+01 6.057873753e+01 1.24 5.583333740e+01 5.583333740e+01 1.26 5.138378586e+01 5.138378586e+01 1.28 4.720834438e+01 4.720834438e+01 1.30 4.328572924e+01 4.328572924e+01 1.32 3.959626883e+01 3.959626883e+01 1.34 3.612352843e+01 3.612352843e+01 1.36 3.285599420e+01 3.285599420e+01 1.38 2.978824884e+01 2.978824884e+01 1.40 2.692110108e+01 2.692110108e+01 1.42 2.426037201e+01 2.426037201e+01 1.44 2.181442992e+01 2.181442992e+01 1.46 1.959097287e+01 1.959097287e+01 1.48 1.759382735e+01 1.759382735e+01 1.50 1.582054960e+01 1.582054960e+01 1.52 1.426136915e+01 1.426136915e+01 1.54 1.289960369e+01 1.289960369e+01 1.56 1.171326883e+01 1.171326883e+01 1.58 1.067735218e+01 1.067735218e+01 1.60 9.766176374e+00 9.766176374e+00 1.62 8.955402790e+00 8.955402790e+00 1.64 8.223433703e+00 8.223433703e+00 1.66 7.552168428e+00 7.552168428e+00 1.68 6.927204637e+00 6.927204637e+00 1.70 6.337639595e+00 6.337639595e+00 1.72 5.775632189e+00 5.775632189e+00 1.74 5.235859705e+00 5.235859705e+00 1.76 4.714964396e+00 4.714964396e+00 1.78 4.211047535e+00 4.211047535e+00 1.80 3.723239228e+00 3.723239228e+00 1.82 3.251352027e+00 3.251352027e+00 1.84 2.795614338e+00 2.795614338e+00 1.86 2.356473476e+00 2.356473476e+00 1.88 1.934456071e+00 1.934456071e+00 1.90 1.530073663e+00 1.530073663e+00 1.92 1.143762673e+00 1.143762673e+00 1.94 7.758496776e-01 7.758496776e-01 1.96 4.265347704e-01 4.265347704e-01 1.98 9.588739196e-02 9.588739196e-02 2.00 -2.161495808e-01 -2.161495808e-01 2.02 -5.097505743e-01 -5.097505743e-01 2.04 -7.851951180e-01 -7.851951180e-01 2.06 -1.042854252e+00 -1.042854252e+00 2.08 -1.283176611e+00 -1.283176611e+00 2.10 -1.506674872e+00 -1.506674872e+00 2.12 -1.713913001e+00 -1.713913001e+00 2.14 -1.905494555e+00 -1.905494555e+00 2.16 -2.082052151e+00 -2.082052151e+00 2.18 -2.244238140e+00 -2.244238140e+00 2.20 -2.392716452e+00 -2.392716452e+00 2.22 -2.528155576e+00 -2.528155576e+00 2.24 -2.651222564e+00 -2.651222564e+00 2.26 -2.762577991e+00 -2.762577991e+00 2.28 -2.862871768e+00 -2.862871768e+00 2.30 -2.952739709e+00 -2.952739709e+00 2.32 -3.032800776e+00 -3.032800776e+00 2.34 -3.103654906e+00 -3.103654906e+00 2.36 -3.165881350e+00 -3.165881350e+00 2.38 -3.220037455e+00 -3.220037455e+00 2.40 -3.266657926e+00 -3.266657926e+00 2.42 -3.306259028e+00 -3.306259028e+00 2.44 -3.339339601e+00 -3.339339601e+00 2.46 -3.366332232e+00 -3.366332232e+00 2.48 -3.387685223e+00 -3.387685223e+00 2.50 -3.403824752e+00 -3.403824752e+00 2.52 -3.415146026e+00 -3.415146026e+00 2.54 -3.422022197e+00 -3.422022197e+00 2.56 -3.424804995e+00 -3.424804995e+00 2.58 -3.423825423e+00 -3.423825423e+00 2.60 -3.419394492e+00 -3.419394492e+00 2.62 -3.411803998e+00 -3.411803998e+00 2.64 -3.401327307e+00 -3.401327307e+00 2.66 -3.388220164e+00 -3.388220164e+00 2.68 -3.372721495e+00 -3.372721495e+00 2.70 -3.355054210e+00 -3.355054210e+00 2.72 -3.335425996e+00 -3.335425996e+00 2.74 -3.314030096e+00 -3.314030096e+00 2.76 -3.291046069e+00 -3.291046069e+00 2.78 -3.266640534e+00 -3.266640534e+00 2.80 -3.240967888e+00 -3.240967888e+00 2.82 -3.214170996e+00 -3.214170996e+00 2.84 -3.186381869e+00 -3.186381869e+00 2.86 -3.157722301e+00 -3.157722301e+00 2.88 -3.128304485e+00 -3.128304485e+00 2.90 -3.098231609e+00 -3.098231609e+00 2.92 -3.067598411e+00 -3.067598411e+00 2.94 -3.036491721e+00 -3.036491721e+00 2.96 -3.004990970e+00 -3.004990970e+00 2.98 -2.973168674e+00 -2.973168674e+00 3.00 -2.941090892e+00 -2.941090892e+00 3.02 -2.908817664e+00 -2.908817664e+00 3.04 -2.876403423e+00 -2.876403423e+00 3.06 -2.843897380e+00 -2.843897380e+00 3.08 -2.811343893e+00 -2.811343893e+00 3.10 -2.778782813e+00 -2.778782813e+00 3.12 -2.746249810e+00 -2.746249810e+00 3.14 -2.713776674e+00 -2.713776674e+00 3.16 -2.681391610e+00 -2.681391610e+00 3.18 -2.649119501e+00 -2.649119501e+00 3.20 -2.616982165e+00 -2.616982165e+00 3.22 -2.584998589e+00 -2.584998589e+00 3.24 -2.553185150e+00 -2.553185150e+00 3.26 -2.521555825e+00 -2.521555825e+00 3.28 -2.490122381e+00 -2.490122381e+00 3.30 -2.458894557e+00 -2.458894557e+00 3.32 -2.427880231e+00 -2.427880231e+00 3.34 -2.397085575e+00 -2.397085575e+00 3.36 -2.366515203e+00 -2.366515203e+00 3.38 -2.336172260e+00 -2.336172260e+00 3.40 -2.305742461e+00 -2.305742461e+00 3.42 -2.271353015e+00 -2.271353015e+00 3.44 -2.216396629e+00 -2.216396629e+00 3.46 -2.122193442e+00 -2.122193442e+00 3.48 -2.085212947e+00 -2.085212947e+00 3.50 -2.053713936e+00 -2.053713936e+00 3.52 -2.022434271e+00 -2.022434271e+00 3.54 -1.991366989e+00 -1.991366989e+00 3.56 -1.960504687e+00 -1.960504687e+00 3.58 -1.929839597e+00 -1.929839597e+00 3.60 -1.899363669e+00 -1.899363669e+00 3.62 -1.869068651e+00 -1.869068651e+00 3.64 -1.838946173e+00 -1.838946173e+00 3.66 -1.808987831e+00 -1.808987831e+00 3.68 -1.779185278e+00 -1.779185278e+00 3.70 -1.749530315e+00 -1.749530315e+00 3.72 -1.720014990e+00 -1.720014990e+00 3.74 -1.690631701e+00 -1.690631701e+00 3.76 -1.661373307e+00 -1.661373307e+00 3.78 -1.632233241e+00 -1.632233241e+00 3.80 -1.603205638e+00 -1.603205638e+00 3.82 -1.574285461e+00 -1.574285461e+00 3.84 -1.545468645e+00 -1.545468645e+00 3.86 -1.516752237e+00 -1.516752237e+00 3.88 -1.488134554e+00 -1.488134554e+00 3.90 -1.459615336e+00 -1.459615336e+00 3.92 -1.428150878e+00 -1.428150878e+00 3.94 -1.354822883e+00 -1.354822883e+00 3.96 -1.135835344e+00 -1.135835344e+00 3.98 -6.287958758e-01 -6.287958758e-01 4.00 -4.991311835e-22 -4.992871101e-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 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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