# 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 = CuFeSb2 # 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 3.431436035e+02 3.431436035e+02 0.86 3.280185235e+02 3.280185235e+02 0.88 3.135598840e+02 3.135598840e+02 0.90 2.997368370e+02 2.997368370e+02 0.92 2.865200894e+02 2.865200894e+02 0.94 2.738818178e+02 2.738818178e+02 0.96 2.617955870e+02 2.617955870e+02 0.98 2.502362748e+02 2.502362748e+02 1.00 2.391799992e+02 2.391799992e+02 1.02 2.286040518e+02 2.286040518e+02 1.04 2.184868340e+02 2.184868340e+02 1.06 2.088077965e+02 2.088077965e+02 1.08 1.995473832e+02 1.995473832e+02 1.10 1.906869757e+02 1.906869757e+02 1.12 1.822088357e+02 1.822088357e+02 1.14 1.740960347e+02 1.740960347e+02 1.16 1.663323461e+02 1.663323461e+02 1.18 1.589020594e+02 1.589020594e+02 1.20 1.517896515e+02 1.517896515e+02 1.22 1.449792519e+02 1.449792519e+02 1.24 1.384538613e+02 1.384538613e+02 1.26 1.321943606e+02 1.321943606e+02 1.28 1.261784539e+02 1.261784539e+02 1.30 1.203798093e+02 1.203798093e+02 1.32 1.147677325e+02 1.147677325e+02 1.34 1.093077036e+02 1.093077036e+02 1.36 1.039629911e+02 1.039629911e+02 1.38 9.869734322e+01 9.869734322e+01 1.40 9.347849053e+01 9.347849053e+01 1.42 8.828192676e+01 8.828192676e+01 1.44 8.309425833e+01 8.309425833e+01 1.46 7.791539549e+01 7.791539549e+01 1.48 7.275903646e+01 7.275903646e+01 1.50 6.765124619e+01 6.765124619e+01 1.52 6.262735696e+01 6.262735696e+01 1.54 5.772778408e+01 5.772778408e+01 1.56 5.299354156e+01 5.299354156e+01 1.58 4.846221315e+01 4.846221315e+01 1.60 4.416492302e+01 4.416492302e+01 1.62 4.012455275e+01 4.012455275e+01 1.64 3.635517057e+01 3.635517057e+01 1.66 3.286244261e+01 3.286244261e+01 1.68 2.964470788e+01 2.964470788e+01 1.70 2.669439966e+01 2.669439966e+01 1.72 2.399955441e+01 2.399955441e+01 1.74 2.154522832e+01 2.154522832e+01 1.76 1.931471863e+01 1.931471863e+01 1.78 1.729054779e+01 1.729054779e+01 1.80 1.545521024e+01 1.545521024e+01 1.82 1.379170578e+01 1.379170578e+01 1.84 1.228389475e+01 1.228389475e+01 1.86 1.091671237e+01 1.091671237e+01 1.88 9.676277147e+00 9.676277147e+00 1.90 8.549922827e+00 8.549922827e+00 1.92 7.526178076e+00 7.526178076e+00 1.94 6.594712155e+00 6.594712155e+00 1.96 5.746260395e+00 5.746260395e+00 1.98 4.972539296e+00 4.972539296e+00 2.00 4.266158069e+00 4.266158069e+00 2.02 3.620531159e+00 3.620531159e+00 2.04 3.029794621e+00 3.029794621e+00 2.06 2.488728016e+00 2.488728016e+00 2.08 1.992682678e+00 1.992682678e+00 2.10 1.537516630e+00 1.537516630e+00 2.12 1.119536076e+00 1.119536076e+00 2.14 7.354431736e-01 7.354431736e-01 2.16 3.822896357e-01 3.822896357e-01 2.18 5.743569666e-02 5.743569666e-02 2.20 -2.414860897e-01 -2.414860897e-01 2.22 -5.166027112e-01 -5.166027112e-01 2.24 -7.698286999e-01 -7.698286999e-01 2.26 -1.002890716e+00 -1.002890716e+00 2.28 -1.217349118e+00 -1.217349118e+00 2.30 -1.414616884e+00 -1.414616884e+00 2.32 -1.595976210e+00 -1.595976210e+00 2.34 -1.762593064e+00 -1.762593064e+00 2.36 -1.915529975e+00 -1.915529975e+00 2.38 -2.055757248e+00 -2.055757248e+00 2.40 -2.184162988e+00 -2.184162988e+00 2.42 -2.301568757e+00 -2.301568757e+00 2.44 -2.408740014e+00 -2.408740014e+00 2.46 -2.506318391e+00 -2.506318391e+00 2.48 -2.594949433e+00 -2.594949433e+00 2.50 -2.675233178e+00 -2.675233178e+00 2.52 -2.747713488e+00 -2.747713488e+00 2.54 -2.812894829e+00 -2.812894829e+00 2.56 -2.871245914e+00 -2.871245914e+00 2.58 -2.923202939e+00 -2.923202939e+00 2.60 -2.969172464e+00 -2.969172464e+00 2.62 -3.009533975e+00 -3.009533975e+00 2.64 -3.044642177e+00 -3.044642177e+00 2.66 -3.074829040e+00 -3.074829040e+00 2.68 -3.100405637e+00 -3.100405637e+00 2.70 -3.121663788e+00 -3.121663788e+00 2.72 -3.138877546e+00 -3.138877546e+00 2.74 -3.152304531e+00 -3.152304531e+00 2.76 -3.162187134e+00 -3.162187134e+00 2.78 -3.168753615e+00 -3.168753615e+00 2.80 -3.172219089e+00 -3.172219089e+00 2.82 -3.172786429e+00 -3.172786429e+00 2.84 -3.170647083e+00 -3.170647083e+00 2.86 -3.165981828e+00 -3.165981828e+00 2.88 -3.158961454e+00 -3.158961454e+00 2.90 -3.149747389e+00 -3.149747389e+00 2.92 -3.138492279e+00 -3.138492279e+00 2.94 -3.125340524e+00 -3.125340524e+00 2.96 -3.110428759e+00 -3.110428759e+00 2.98 -3.093886316e+00 -3.093886316e+00 3.00 -3.075835643e+00 -3.075835643e+00 3.02 -3.056392689e+00 -3.056392689e+00 3.04 -3.035667270e+00 -3.035667270e+00 3.06 -3.013763408e+00 -3.013763408e+00 3.08 -2.990779641e+00 -2.990779641e+00 3.10 -2.966809321e+00 -2.966809321e+00 3.12 -2.941940886e+00 -2.941940886e+00 3.14 -2.916258118e+00 -2.916258118e+00 3.16 -2.889840386e+00 -2.889840386e+00 3.18 -2.862762868e+00 -2.862762868e+00 3.20 -2.835096767e+00 -2.835096767e+00 3.22 -2.806909508e+00 -2.806909508e+00 3.24 -2.778264929e+00 -2.778264929e+00 3.26 -2.749223452e+00 -2.749223452e+00 3.28 -2.719842256e+00 -2.719842256e+00 3.30 -2.690175427e+00 -2.690175427e+00 3.32 -2.660274107e+00 -2.660274107e+00 3.34 -2.630186636e+00 -2.630186636e+00 3.36 -2.599958677e+00 -2.599958677e+00 3.38 -2.569633267e+00 -2.569633267e+00 3.40 -2.538719765e+00 -2.538719765e+00 3.42 -2.501126078e+00 -2.501126078e+00 3.44 -2.435625974e+00 -2.435625974e+00 3.46 -2.333180945e+00 -2.333180945e+00 3.48 -2.297573562e+00 -2.297573562e+00 3.50 -2.267526052e+00 -2.267526052e+00 3.52 -2.237825150e+00 -2.237825150e+00 3.54 -2.208478931e+00 -2.208478931e+00 3.56 -2.179494099e+00 -2.179494099e+00 3.58 -2.150876009e+00 -2.150876009e+00 3.60 -2.122628680e+00 -2.122628680e+00 3.62 -2.094754814e+00 -2.094754814e+00 3.64 -2.067255802e+00 -2.067255802e+00 3.66 -2.040131743e+00 -2.040131743e+00 3.68 -2.013381451e+00 -2.013381451e+00 3.70 -1.987002469e+00 -1.987002469e+00 3.72 -1.960991088e+00 -1.960991088e+00 3.74 -1.935342365e+00 -1.935342365e+00 3.76 -1.910050154e+00 -1.910050154e+00 3.78 -1.885107142e+00 -1.885107142e+00 3.80 -1.860504907e+00 -1.860504907e+00 3.82 -1.836233977e+00 -1.836233977e+00 3.84 -1.812283915e+00 -1.812283915e+00 3.86 -1.788643428e+00 -1.788643428e+00 3.88 -1.765300487e+00 -1.765300487e+00 3.90 -1.742242473e+00 -1.742242473e+00 3.92 -1.716622577e+00 -1.716622577e+00 3.94 -1.651490398e+00 -1.651490398e+00 3.96 -1.437699831e+00 -1.437699831e+00 3.98 -8.655746957e-01 -8.655746957e-01 4.00 -4.097846816e-22 -4.097109461e-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