# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = AuCuPt2 # 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 2026-08-31 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 6.443073410e+06 6.443073410e+06 0.88 5.892488298e+06 5.892488298e+06 0.90 5.390780677e+06 5.390780677e+06 0.92 4.932779014e+06 4.932779014e+06 0.94 4.513907476e+06 4.513907476e+06 0.96 4.130162995e+06 4.130162995e+06 0.98 3.777985081e+06 3.777985081e+06 1.00 3.454289664e+06 3.454289664e+06 1.02 3.156321333e+06 3.156321333e+06 1.04 2.881649907e+06 2.881649907e+06 1.06 2.628098386e+06 2.628098386e+06 1.08 2.393735234e+06 2.393735234e+06 1.10 2.176832656e+06 2.176832656e+06 1.12 1.975857661e+06 1.975857661e+06 1.14 1.789429291e+06 1.789429291e+06 1.16 1.616284932e+06 1.616284932e+06 1.18 1.455304168e+06 1.455304168e+06 1.20 1.305493274e+06 1.305493274e+06 1.22 1.165942271e+06 1.165942271e+06 1.24 1.035817219e+06 1.035817219e+06 1.26 9.143759757e+05 9.143759757e+05 1.28 8.009423777e+05 8.009423777e+05 1.30 6.949009962e+05 6.949009962e+05 1.32 5.956902708e+05 5.956902708e+05 1.34 5.027849511e+05 5.027849511e+05 1.36 4.164677722e+05 4.164677722e+05 1.38 3.412283481e+05 3.412283481e+05 1.40 2.760094751e+05 2.760094751e+05 1.42 2.201583109e+05 2.201583109e+05 1.44 1.749799571e+05 1.749799571e+05 1.46 1.392065158e+05 1.392065158e+05 1.48 1.108421563e+05 1.108421563e+05 1.50 8.832475007e+04 8.832475007e+04 1.52 7.042993719e+04 7.042993719e+04 1.54 5.619544321e+04 5.619544321e+04 1.56 4.486213250e+04 4.486213250e+04 1.58 3.583101620e+04 3.583101620e+04 1.60 2.862860850e+04 2.862860850e+04 1.62 2.288031065e+04 2.288031065e+04 1.64 1.829004448e+04 1.829004448e+04 1.66 1.462254702e+04 1.462254702e+04 1.68 1.169075592e+04 1.169075592e+04 1.70 9.346256086e+03 9.346256086e+03 1.72 7.471040301e+03 7.471040301e+03 1.74 5.970952846e+03 5.970952846e+03 1.76 4.770830655e+03 4.770830655e+03 1.78 3.810609939e+03 3.810609939e+03 1.80 3.042318643e+03 3.042318643e+03 1.82 2.427646920e+03 2.427646920e+03 1.84 1.935929484e+03 1.935929484e+03 1.86 1.542701365e+03 1.542701365e+03 1.88 1.228360620e+03 1.228360620e+03 1.90 9.771839429e+02 9.771839429e+02 1.92 7.765804990e+02 7.765804990e+02 1.94 6.164488013e+02 6.164488013e+02 1.96 4.886868316e+02 4.886868316e+02 1.98 3.868305851e+02 3.868305851e+02 2.00 3.056908212e+02 3.056908212e+02 2.02 2.411040731e+02 2.411040731e+02 2.04 1.897458923e+02 1.897458923e+02 2.06 1.489517372e+02 1.489517372e+02 2.08 1.165857709e+02 1.165857709e+02 2.10 9.093696615e+01 9.093696615e+01 2.12 7.063433502e+01 7.063433502e+01 2.14 5.458295193e+01 5.458295193e+01 2.16 4.190790059e+01 4.190790059e+01 2.18 3.190866844e+01 3.190866844e+01 2.20 2.402888975e+01 2.402888975e+01 2.22 1.782608197e+01 1.782608197e+01 2.24 1.294871362e+01 1.294871362e+01 2.26 9.117024483e+00 9.117024483e+00 2.28 6.109062318e+00 6.109062318e+00 2.30 3.748998406e+00 3.748998406e+00 2.32 1.897717887e+00 1.897717887e+00 2.34 4.453911997e-01 4.453911997e-01 2.36 -6.944967876e-01 -6.944967876e-01 2.38 -1.589918110e+00 -1.589918110e+00 2.40 -2.294133919e+00 -2.294133919e+00 2.42 -2.848778746e+00 -2.848778746e+00 2.44 -3.286308074e+00 -3.286308074e+00 2.46 -3.631959875e+00 -3.631959875e+00 2.48 -3.905285287e+00 -3.905285287e+00 2.50 -4.121394116e+00 -4.121394116e+00 2.52 -4.291945016e+00 -4.291945016e+00 2.54 -4.425892761e+00 -4.425892761e+00 2.56 -4.530120492e+00 -4.530120492e+00 2.58 -4.609918969e+00 -4.609918969e+00 2.60 -4.669359264e+00 -4.669359264e+00 2.62 -4.711549916e+00 -4.711549916e+00 2.64 -4.738885739e+00 -4.738885739e+00 2.66 -4.753268635e+00 -4.753268635e+00 2.68 -4.756205867e+00 -4.756205867e+00 2.70 -4.748912186e+00 -4.748912186e+00 2.72 -4.732380404e+00 -4.732380404e+00 2.74 -4.707435504e+00 -4.707435504e+00 2.76 -4.674804016e+00 -4.674804016e+00 2.78 -4.635131392e+00 -4.635131392e+00 2.80 -4.589004235e+00 -4.589004235e+00 2.82 -4.536966025e+00 -4.536966025e+00 2.84 -4.479499627e+00 -4.479499627e+00 2.86 -4.417041082e+00 -4.417041082e+00 2.88 -4.350053882e+00 -4.350053882e+00 2.90 -4.278987140e+00 -4.278987140e+00 2.92 -4.204274820e+00 -4.204274820e+00 2.94 -4.126336322e+00 -4.126336322e+00 2.96 -4.045536377e+00 -4.045536377e+00 2.98 -3.962220318e+00 -3.962220318e+00 3.00 -3.876758170e+00 -3.876758170e+00 3.02 -3.789504241e+00 -3.789504241e+00 3.04 -3.700796509e+00 -3.700796509e+00 3.06 -3.610948781e+00 -3.610948781e+00 3.08 -3.520223541e+00 -3.520223541e+00 3.10 -3.428898886e+00 -3.428898886e+00 3.12 -3.337241440e+00 -3.337241440e+00 3.14 -3.245500176e+00 -3.245500176e+00 3.16 -3.153906543e+00 -3.153906543e+00 3.18 -3.062674703e+00 -3.062674703e+00 3.20 -2.972001871e+00 -2.972001871e+00 3.22 -2.882068739e+00 -2.882068739e+00 3.24 -2.793039986e+00 -2.793039986e+00 3.26 -2.705064842e+00 -2.705064842e+00 3.28 -2.618277715e+00 -2.618277715e+00 3.30 -2.532798842e+00 -2.532798842e+00 3.32 -2.448730130e+00 -2.448730130e+00 3.34 -2.366109189e+00 -2.366109189e+00 3.36 -2.285002766e+00 -2.285002766e+00 3.38 -2.205482841e+00 -2.205482841e+00 3.40 -2.127610971e+00 -2.127610971e+00 3.42 -2.051438970e+00 -2.051438970e+00 3.44 -1.977009577e+00 -1.977009577e+00 3.46 -1.904348657e+00 -1.904348657e+00 3.48 -1.833450318e+00 -1.833450318e+00 3.50 -1.764331261e+00 -1.764331261e+00 3.52 -1.697004966e+00 -1.697004966e+00 3.54 -1.631478980e+00 -1.631478980e+00 3.56 -1.567755426e+00 -1.567755426e+00 3.58 -1.505831495e+00 -1.505831495e+00 3.60 -1.445699911e+00 -1.445699911e+00 3.62 -1.387349364e+00 -1.387349364e+00 3.64 -1.330764924e+00 -1.330764924e+00 3.66 -1.275928426e+00 -1.275928426e+00 3.68 -1.222818828e+00 -1.222818828e+00 3.70 -1.171412548e+00 -1.171412548e+00 3.72 -1.121683778e+00 -1.121683778e+00 3.74 -1.073604772e+00 -1.073604772e+00 3.76 -1.027146114e+00 -1.027146114e+00 3.78 -9.822769671e-01 -9.822769671e-01 3.80 -9.389653009e-01 -9.389653009e-01 3.82 -8.971781006e-01 -8.971781006e-01 3.84 -8.568815590e-01 -8.568815590e-01 3.86 -8.180412522e-01 -8.180412522e-01 3.88 -7.806222990e-01 -7.806222990e-01 3.90 -7.445895065e-01 -7.445895065e-01 3.92 -7.099075011e-01 -7.099075011e-01 3.94 -6.765408478e-01 -6.765408478e-01 3.96 -6.444541566e-01 -6.444541566e-01 3.98 -6.136121788e-01 -6.136121788e-01 4.00 -5.839798925e-01 -5.839798925e-01 4.02 -5.555225787e-01 -5.555225787e-01 4.04 -5.282058885e-01 -5.282058885e-01 4.06 -5.019959027e-01 -5.019959027e-01 4.08 -4.768591834e-01 -4.768591834e-01 4.10 -4.527628191e-01 -4.527628191e-01 4.12 -4.296744635e-01 -4.296744635e-01 4.14 -4.075623681e-01 -4.075623681e-01 4.16 -3.863954102e-01 -3.863954102e-01 4.18 -3.661431158e-01 -3.661431158e-01 4.20 -3.467756782e-01 -3.467756782e-01 4.22 -3.282639723e-01 -3.282639723e-01 4.24 -3.105795661e-01 -3.105795661e-01 4.26 -2.936947280e-01 -2.936947280e-01 4.28 -2.775824320e-01 -2.775824320e-01 4.30 -2.622163598e-01 -2.622163598e-01 4.32 -2.475687680e-01 -2.475687680e-01 4.34 -2.335910226e-01 -2.335910226e-01 4.36 -2.202532168e-01 -2.202532168e-01 4.38 -2.075329529e-01 -2.075329529e-01 4.40 -1.954084951e-01 -1.954084951e-01 4.42 -1.838587610e-01 -1.838587610e-01 4.44 -1.728633112e-01 -1.728633112e-01 4.46 -1.624023390e-01 -1.624023390e-01 4.48 -1.524566589e-01 -1.524566589e-01 4.50 -1.430076945e-01 -1.430076945e-01 4.52 -1.340374662e-01 -1.340374662e-01 4.54 -1.255285782e-01 -1.255285782e-01 4.56 -1.174642054e-01 -1.174642054e-01 4.58 -1.098280796e-01 -1.098280796e-01 4.60 -1.026044764e-01 -1.026044764e-01 4.62 -9.577820106e-02 -9.577820106e-02 4.64 -8.933457471e-02 -8.933457471e-02 4.66 -8.325942073e-02 -8.325942073e-02 4.68 -7.753905079e-02 -7.753905079e-02 4.70 -7.215207007e-02 -7.215207007e-02 4.72 -6.706576706e-02 -6.706576706e-02 4.74 -6.226820073e-02 -6.226820073e-02 4.76 -5.774882791e-02 -5.774882791e-02 4.78 -5.349746836e-02 -5.349746836e-02 4.80 -4.950429496e-02 -4.950429496e-02 4.82 -4.575982087e-02 -4.575982087e-02 4.84 -4.225489009e-02 -4.225489009e-02 4.86 -3.898066781e-02 -3.898066781e-02 4.88 -3.592815116e-02 -3.592815116e-02 4.90 -3.308012620e-02 -3.308012620e-02 4.92 -3.042511224e-02 -3.042511224e-02 4.94 -2.795608043e-02 -2.795608043e-02 4.96 -2.566622153e-02 -2.566622153e-02 4.98 -2.354872082e-02 -2.354872082e-02 5.00 -2.157500098e-02 -2.157500098e-02 5.02 -1.971783072e-02 -1.971783072e-02 5.04 -1.797281629e-02 -1.797281629e-02 5.06 -1.633570542e-02 -1.633570542e-02 5.08 -1.480238676e-02 -1.480238676e-02 5.10 -1.336888889e-02 -1.336888889e-02 5.12 -1.203137858e-02 -1.203137858e-02 5.14 -1.078615861e-02 -1.078615861e-02 5.16 -9.629665103e-03 -9.629665103e-03 5.18 -8.558464588e-03 -8.558464588e-03 5.20 -7.569250786e-03 -7.569250786e-03 5.22 -6.658841205e-03 -6.658841205e-03 5.24 -5.824173596e-03 -5.824173596e-03 5.26 -5.062302321e-03 -5.062302321e-03 5.28 -4.370394665e-03 -4.370394665e-03 5.30 -3.745727127e-03 -3.745727127e-03 5.32 -3.185681712e-03 -3.185681712e-03 5.34 -2.687742249e-03 -2.687742249e-03 5.36 -2.249490759e-03 -2.249490759e-03 5.38 -1.868603871e-03 -1.868603871e-03 5.40 -1.542849319e-03 -1.542849319e-03 5.42 -1.267370109e-03 -1.267370109e-03 5.44 -1.024185468e-03 -1.024185468e-03 5.46 -8.094867153e-04 -8.094867153e-04 5.48 -6.222555034e-04 -6.222555034e-04 5.50 -4.615099408e-04 -4.615099408e-04 5.52 -3.263033488e-04 -3.263033488e-04 5.54 -2.157230458e-04 -2.157230458e-04 5.56 -1.288891604e-04 -1.288891604e-04 5.58 -6.495347561e-05 -6.495347561e-05 5.60 -2.309830397e-05 -2.309830397e-05 5.62 -2.535395639e-06 -2.535395639e-06 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