# 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 = CuNi2Pt # 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 5.234987009e+06 5.234987009e+06 0.88 4.763700246e+06 4.763700246e+06 0.90 4.334271312e+06 4.334271312e+06 0.92 3.942284908e+06 3.942284908e+06 0.94 3.583812658e+06 3.583812658e+06 0.96 3.255405635e+06 3.255405635e+06 0.98 2.954034189e+06 2.954034189e+06 1.00 2.677045832e+06 2.677045832e+06 1.02 2.422078056e+06 2.422078056e+06 1.04 2.187041143e+06 2.187041143e+06 1.06 1.970074475e+06 1.970074475e+06 1.08 1.769536210e+06 1.769536210e+06 1.10 1.583974173e+06 1.583974173e+06 1.12 1.412061009e+06 1.412061009e+06 1.14 1.252602822e+06 1.252602822e+06 1.16 1.104514924e+06 1.104514924e+06 1.18 9.668455955e+05 9.668455955e+05 1.20 8.387271726e+05 8.387271726e+05 1.22 7.193844012e+05 7.193844012e+05 1.24 6.081032932e+05 6.081032932e+05 1.26 5.047865403e+05 5.047865403e+05 1.28 4.115614701e+05 4.115614701e+05 1.30 3.274154629e+05 3.274154629e+05 1.32 2.569598550e+05 2.569598550e+05 1.34 2.018866966e+05 2.018866966e+05 1.36 1.588026639e+05 1.588026639e+05 1.38 1.250486954e+05 1.250486954e+05 1.40 9.856772702e+04 9.856772702e+04 1.42 7.776459412e+04 7.776459412e+04 1.44 6.139908599e+04 6.139908599e+04 1.46 4.850884324e+04 4.850884324e+04 1.48 3.834463551e+04 3.834463551e+04 1.50 3.032239259e+04 3.032239259e+04 1.52 2.398588573e+04 2.398588573e+04 1.54 1.897785260e+04 1.897785260e+04 1.56 1.501759850e+04 1.501759850e+04 1.58 1.188447892e+04 1.188447892e+04 1.60 9.404669441e+03 9.404669441e+03 1.62 7.441243009e+03 7.441243009e+03 1.64 5.886227338e+03 5.886227338e+03 1.66 4.654514508e+03 4.654514508e+03 1.68 3.678770121e+03 3.678770121e+03 1.70 2.905791490e+03 2.905791490e+03 1.72 2.293586797e+03 2.293586797e+03 1.74 1.808775376e+03 1.808775376e+03 1.76 1.424992222e+03 1.424992222e+03 1.78 1.121333269e+03 1.121333269e+03 1.80 8.812110696e+02 8.812110696e+02 1.82 6.914707674e+02 6.914707674e+02 1.84 5.416613656e+02 5.416613656e+02 1.86 4.234985744e+02 4.234985744e+02 1.88 3.304005870e+02 3.304005870e+02 1.90 2.571232779e+02 2.571232779e+02 1.92 1.995158507e+02 1.995158507e+02 1.94 1.542919196e+02 1.542919196e+02 1.96 1.188397994e+02 1.188397994e+02 1.98 9.109808697e+01 9.109808697e+01 2.00 6.942791878e+01 6.942791878e+01 2.02 5.253331383e+01 5.253331383e+01 2.04 3.939128292e+01 3.939128292e+01 2.06 2.919215458e+01 2.919215458e+01 2.08 2.129603981e+01 2.129603981e+01 2.10 1.519804670e+01 1.519804670e+01 2.12 1.050004654e+01 1.050004654e+01 2.14 6.889627271e+00 6.889627271e+00 2.16 4.122079193e+00 4.122079193e+00 2.18 2.005655682e+00 2.005655682e+00 2.20 3.910459281e-01 3.910459281e-01 2.22 -8.379664226e-01 -8.379664226e-01 2.24 -1.771609524e+00 -1.771609524e+00 2.26 -2.479680568e+00 -2.479680568e+00 2.28 -3.015957808e+00 -3.015957808e+00 2.30 -3.421697457e+00 -3.421697457e+00 2.32 -3.728400033e+00 -3.728400033e+00 2.34 -3.959994110e+00 -3.959994110e+00 2.36 -4.134553611e+00 -4.134553611e+00 2.38 -4.265648655e+00 -4.265648655e+00 2.40 -4.363409105e+00 -4.363409105e+00 2.42 -4.435346461e+00 -4.435346461e+00 2.44 -4.486981498e+00 -4.486981498e+00 2.46 -4.522334676e+00 -4.522334676e+00 2.48 -4.544361468e+00 -4.544361468e+00 2.50 -4.555210258e+00 -4.555210258e+00 2.52 -4.556424585e+00 -4.556424585e+00 2.54 -4.549139778e+00 -4.549139778e+00 2.56 -4.534110409e+00 -4.534110409e+00 2.58 -4.511958517e+00 -4.511958517e+00 2.60 -4.483200589e+00 -4.483200589e+00 2.62 -4.448220262e+00 -4.448220262e+00 2.64 -4.407344592e+00 -4.407344592e+00 2.66 -4.360928276e+00 -4.360928276e+00 2.68 -4.309312572e+00 -4.309312572e+00 2.70 -4.252834993e+00 -4.252834993e+00 2.72 -4.191830552e+00 -4.191830552e+00 2.74 -4.126632276e+00 -4.126632276e+00 2.76 -4.057587806e+00 -4.057587806e+00 2.78 -3.985049031e+00 -3.985049031e+00 2.80 -3.909369824e+00 -3.909369824e+00 2.82 -3.830903771e+00 -3.830903771e+00 2.84 -3.749988154e+00 -3.749988154e+00 2.86 -3.666933105e+00 -3.666933105e+00 2.88 -3.582073343e+00 -3.582073343e+00 2.90 -3.495735524e+00 -3.495735524e+00 2.92 -3.408234718e+00 -3.408234718e+00 2.94 -3.319872881e+00 -3.319872881e+00 2.96 -3.230937601e+00 -3.230937601e+00 2.98 -3.141689135e+00 -3.141689135e+00 3.00 -3.052310514e+00 -3.052310514e+00 3.02 -2.963026729e+00 -2.963026729e+00 3.04 -2.874058292e+00 -2.874058292e+00 3.06 -2.785599271e+00 -2.785599271e+00 3.08 -2.697781323e+00 -2.697781323e+00 3.10 -2.610767211e+00 -2.610767211e+00 3.12 -2.524713029e+00 -2.524713029e+00 3.14 -2.439760075e+00 -2.439760075e+00 3.16 -2.356035380e+00 -2.356035380e+00 3.18 -2.273652303e+00 -2.273652303e+00 3.20 -2.192711154e+00 -2.192711154e+00 3.22 -2.113299864e+00 -2.113299864e+00 3.24 -2.035494657e+00 -2.035494657e+00 3.26 -1.959360747e+00 -1.959360747e+00 3.28 -1.884953027e+00 -1.884953027e+00 3.30 -1.812316760e+00 -1.812316760e+00 3.32 -1.741485279e+00 -1.741485279e+00 3.34 -1.672452393e+00 -1.672452393e+00 3.36 -1.605230029e+00 -1.605230029e+00 3.38 -1.539833193e+00 -1.539833193e+00 3.40 -1.476270476e+00 -1.476270476e+00 3.42 -1.414544608e+00 -1.414544608e+00 3.44 -1.354652988e+00 -1.354652988e+00 3.46 -1.296588188e+00 -1.296588188e+00 3.48 -1.240338428e+00 -1.240338428e+00 3.50 -1.185888022e+00 -1.185888022e+00 3.52 -1.133217799e+00 -1.133217799e+00 3.54 -1.082305496e+00 -1.082305496e+00 3.56 -1.033126128e+00 -1.033126128e+00 3.58 -9.856523248e-01 -9.856523248e-01 3.60 -9.398546500e-01 -9.398546500e-01 3.62 -8.957018952e-01 -8.957018952e-01 3.64 -8.531613493e-01 -8.531613493e-01 3.66 -8.121990475e-01 -8.121990475e-01 3.68 -7.727799997e-01 -7.727799997e-01 3.70 -7.348683993e-01 -7.348683993e-01 3.72 -6.984278140e-01 -6.984278140e-01 3.74 -6.634213589e-01 -6.634213589e-01 3.76 -6.298118538e-01 -6.298118538e-01 3.78 -5.975619650e-01 -5.975619650e-01 3.80 -5.666343337e-01 -5.666343337e-01 3.82 -5.369916905e-01 -5.369916905e-01 3.84 -5.085969578e-01 -5.085969578e-01 3.86 -4.814133416e-01 -4.814133416e-01 3.88 -4.554044119e-01 -4.554044119e-01 3.90 -4.305341737e-01 -4.305341737e-01 3.92 -4.067671299e-01 -4.067671299e-01 3.94 -3.840683346e-01 -3.840683346e-01 3.96 -3.624034403e-01 -3.624034403e-01 3.98 -3.417387374e-01 -3.417387374e-01 4.00 -3.220411873e-01 -3.220411873e-01 4.02 -3.032784506e-01 -3.032784506e-01 4.04 -2.854189096e-01 -2.854189096e-01 4.06 -2.684316858e-01 -2.684316858e-01 4.08 -2.522866537e-01 -2.522866537e-01 4.10 -2.369544504e-01 -2.369544504e-01 4.12 -2.224064821e-01 -2.224064821e-01 4.14 -2.086149270e-01 -2.086149270e-01 4.16 -1.955527357e-01 -1.955527357e-01 4.18 -1.831936291e-01 -1.831936291e-01 4.20 -1.715120946e-01 -1.715120946e-01 4.22 -1.604581943e-01 -1.604581943e-01 4.24 -1.499830319e-01 -1.499830319e-01 4.26 -1.400654595e-01 -1.400654595e-01 4.28 -1.306849959e-01 -1.306849959e-01 4.30 -1.218218120e-01 -1.218218120e-01 4.32 -1.134538413e-01 -1.134538413e-01 4.34 -1.055305531e-01 -1.055305531e-01 4.36 -9.802642261e-02 -9.802642261e-02 4.38 -9.092571094e-02 -9.092571094e-02 4.40 -8.421321429e-02 -8.421321429e-02 4.42 -7.787425167e-02 -7.787425167e-02 4.44 -7.189465118e-02 -7.189465118e-02 4.46 -6.626053092e-02 -6.626053092e-02 4.48 -6.095851711e-02 -6.095851711e-02 4.50 -5.597594763e-02 -5.597594763e-02 4.52 -5.130081816e-02 -5.130081816e-02 4.54 -4.692146913e-02 -4.692146913e-02 4.56 -4.282659223e-02 -4.282659223e-02 4.58 -3.900523802e-02 -3.900523802e-02 4.60 -3.544681960e-02 -3.544681960e-02 4.62 -3.214111408e-02 -3.214111408e-02 4.64 -2.907825720e-02 -2.907825720e-02 4.66 -2.624873997e-02 -2.624873997e-02 4.68 -2.364340344e-02 -2.364340344e-02 4.70 -2.125065275e-02 -2.125065275e-02 4.72 -1.905523942e-02 -1.905523942e-02 4.74 -1.704915051e-02 -1.704915051e-02 4.76 -1.522490209e-02 -1.522490209e-02 4.78 -1.357505193e-02 -1.357505193e-02 4.80 -1.209297410e-02 -1.209297410e-02 4.82 -1.077229068e-02 -1.077229068e-02 4.84 -9.606813172e-03 -9.606813172e-03 4.86 -8.584075704e-03 -8.584075704e-03 4.88 -7.660260371e-03 -7.660260371e-03 4.90 -6.825326676e-03 -6.825326676e-03 4.92 -6.075907939e-03 -6.075907939e-03 4.94 -5.408748568e-03 -5.408748568e-03 4.96 -4.820704804e-03 -4.820704804e-03 4.98 -4.308744621e-03 -4.308744621e-03 5.00 -3.850696387e-03 -3.850696387e-03 5.02 -3.425384745e-03 -3.425384745e-03 5.04 -3.031399275e-03 -3.031399275e-03 5.06 -2.667389127e-03 -2.667389127e-03 5.08 -2.332060640e-03 -2.332060640e-03 5.10 -2.024175160e-03 -2.024175160e-03 5.12 -1.742546897e-03 -1.742546897e-03 5.14 -1.486040832e-03 -1.486040832e-03 5.16 -1.253570675e-03 -1.253570675e-03 5.18 -1.044096888e-03 -1.044096888e-03 5.20 -8.566247524e-04 -8.566247524e-04 5.22 -6.902025161e-04 -6.902025161e-04 5.24 -5.439195880e-04 -5.439195880e-04 5.26 -4.169048037e-04 -4.169048037e-04 5.28 -3.083247514e-04 -3.083247514e-04 5.30 -2.173821603e-04 -2.173821603e-04 5.32 -1.433143513e-04 -1.433143513e-04 5.34 -8.539174771e-05 -8.539174771e-05 5.36 -4.291644521e-05 -4.291644521e-05 5.38 -1.522084008e-05 -1.522084008e-05 5.40 -1.666313345e-06 -1.666313345e-06 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