# 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 = Ag2CuNi # 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 4.191156477e+06 4.191156477e+06 0.88 3.792428084e+06 3.792428084e+06 0.90 3.428792144e+06 3.428792144e+06 0.92 3.096554995e+06 3.096554995e+06 0.94 2.792430447e+06 2.792430447e+06 0.96 2.513566135e+06 2.513566135e+06 0.98 2.257374125e+06 2.257374125e+06 1.00 2.021622913e+06 2.021622913e+06 1.02 1.804331157e+06 1.804331157e+06 1.04 1.603786938e+06 1.603786938e+06 1.06 1.418455910e+06 1.418455910e+06 1.08 1.246957134e+06 1.246957134e+06 1.10 1.088040302e+06 1.088040302e+06 1.12 9.406044701e+05 9.406044701e+05 1.14 8.036558916e+05 8.036558916e+05 1.16 6.762725780e+05 6.762725780e+05 1.18 5.576583411e+05 5.576583411e+05 1.20 4.482190903e+05 4.482190903e+05 1.22 3.532447185e+05 3.532447185e+05 1.24 2.785326216e+05 2.785326216e+05 1.26 2.200508321e+05 2.200508321e+05 1.28 1.741762293e+05 1.741762293e+05 1.30 1.381075950e+05 1.381075950e+05 1.32 1.096881085e+05 1.096881085e+05 1.34 8.724613080e+04 8.724613080e+04 1.36 6.949358282e+04 6.949358282e+04 1.38 5.542573489e+04 5.542573489e+04 1.40 4.425833381e+04 4.425833381e+04 1.42 3.538097742e+04 3.538097742e+04 1.44 2.831355923e+04 2.831355923e+04 1.46 2.267917666e+04 2.267917666e+04 1.48 1.818099439e+04 1.818099439e+04 1.50 1.458499789e+04 1.458499789e+04 1.52 1.170722082e+04 1.170722082e+04 1.54 9.402371921e+03 9.402371921e+03 1.56 7.554848935e+03 7.554848935e+03 1.58 6.072663798e+03 6.072663798e+03 1.60 4.882903836e+03 4.882903836e+03 1.62 3.927389150e+03 3.927389150e+03 1.64 3.159481825e+03 3.159481825e+03 1.66 2.541853860e+03 2.541853860e+03 1.68 2.044725965e+03 2.044725965e+03 1.70 1.644448870e+03 1.644448870e+03 1.72 1.322150846e+03 1.322150846e+03 1.74 1.062620748e+03 1.062620748e+03 1.76 8.536237596e+02 8.536237596e+02 1.78 6.853420886e+02 6.853420886e+02 1.80 5.498703850e+02 5.498703850e+02 1.82 4.408485869e+02 4.408485869e+02 1.84 3.531464554e+02 3.531464554e+02 1.86 2.826253127e+02 2.826253127e+02 1.88 2.259462160e+02 2.259462160e+02 1.90 1.804056642e+02 1.804056642e+02 1.92 1.438291529e+02 1.438291529e+02 1.94 1.144694071e+02 1.144694071e+02 1.96 9.091101018e+01 9.091101018e+01 1.98 7.202227070e+01 7.202227070e+01 2.00 5.688623661e+01 5.688623661e+01 2.02 4.476100484e+01 4.476100484e+01 2.04 3.505597367e+01 3.505597367e+01 2.06 2.729579123e+01 2.729579123e+01 2.08 2.109659290e+01 2.109659290e+01 2.10 1.614870227e+01 1.614870227e+01 2.12 1.220250488e+01 1.220250488e+01 2.14 9.057141478e+00 9.057141478e+00 2.16 6.551217660e+00 6.551217660e+00 2.18 4.555133159e+00 4.555133159e+00 2.20 2.964776845e+00 2.964776845e+00 2.22 1.696799337e+00 1.696799337e+00 2.24 6.852679688e-01 6.852679688e-01 2.26 -1.224755498e-01 -1.224755498e-01 2.28 -7.683439475e-01 -7.683439475e-01 2.30 -1.285666583e+00 -1.285666583e+00 2.32 -1.700926137e+00 -1.700926137e+00 2.34 -2.035112479e+00 -2.035112479e+00 2.36 -2.304818926e+00 -2.304818926e+00 2.38 -2.523128610e+00 -2.523128610e+00 2.40 -2.700329924e+00 -2.700329924e+00 2.42 -2.844492924e+00 -2.844492924e+00 2.44 -2.961926734e+00 -2.961926734e+00 2.46 -3.057540679e+00 -3.057540679e+00 2.48 -3.135164633e+00 -3.135164633e+00 2.50 -3.197787945e+00 -3.197787945e+00 2.52 -3.247720463e+00 -3.247720463e+00 2.54 -3.286783076e+00 -3.286783076e+00 2.56 -3.316369850e+00 -3.316369850e+00 2.58 -3.337603165e+00 -3.337603165e+00 2.60 -3.351389982e+00 -3.351389982e+00 2.62 -3.358422027e+00 -3.358422027e+00 2.64 -3.359254026e+00 -3.359254026e+00 2.66 -3.354394532e+00 -3.354394532e+00 2.68 -3.344281682e+00 -3.344281682e+00 2.70 -3.329301815e+00 -3.329301815e+00 2.72 -3.309803486e+00 -3.309803486e+00 2.74 -3.286107823e+00 -3.286107823e+00 2.76 -3.258516038e+00 -3.258516038e+00 2.78 -3.227314739e+00 -3.227314739e+00 2.80 -3.192779560e+00 -3.192779560e+00 2.82 -3.155177526e+00 -3.155177526e+00 2.84 -3.114745201e+00 -3.114745201e+00 2.86 -3.071711908e+00 -3.071711908e+00 2.88 -3.026323622e+00 -3.026323622e+00 2.90 -2.978820033e+00 -2.978820033e+00 2.92 -2.929434298e+00 -2.929434298e+00 2.94 -2.878392666e+00 -2.878392666e+00 2.96 -2.825872438e+00 -2.825872438e+00 2.98 -2.771968893e+00 -2.771968893e+00 3.00 -2.716843478e+00 -2.716843478e+00 3.02 -2.660681266e+00 -2.660681266e+00 3.04 -2.603664220e+00 -2.603664220e+00 3.06 -2.545957307e+00 -2.545957307e+00 3.08 -2.487678248e+00 -2.487678248e+00 3.10 -2.428975092e+00 -2.428975092e+00 3.12 -2.369994366e+00 -2.369994366e+00 3.14 -2.310873948e+00 -2.310873948e+00 3.16 -2.251743139e+00 -2.251743139e+00 3.18 -2.192722774e+00 -2.192722774e+00 3.20 -2.133925376e+00 -2.133925376e+00 3.22 -2.075455340e+00 -2.075455340e+00 3.24 -2.017409142e+00 -2.017409142e+00 3.26 -1.959875584e+00 -1.959875584e+00 3.28 -1.902936048e+00 -1.902936048e+00 3.30 -1.846664773e+00 -1.846664773e+00 3.32 -1.791129145e+00 -1.791129145e+00 3.34 -1.736389995e+00 -1.736389995e+00 3.36 -1.682501901e+00 -1.682501901e+00 3.38 -1.629513501e+00 -1.629513501e+00 3.40 -1.577467797e+00 -1.577467797e+00 3.42 -1.526402469e+00 -1.526402469e+00 3.44 -1.476350174e+00 -1.476350174e+00 3.46 -1.427334393e+00 -1.427334393e+00 3.48 -1.379313245e+00 -1.379313245e+00 3.50 -1.332285739e+00 -1.332285739e+00 3.52 -1.286269174e+00 -1.286269174e+00 3.54 -1.241277390e+00 -1.241277390e+00 3.56 -1.197321008e+00 -1.197321008e+00 3.58 -1.154407663e+00 -1.154407663e+00 3.60 -1.112542227e+00 -1.112542227e+00 3.62 -1.071727018e+00 -1.071727018e+00 3.64 -1.031962010e+00 -1.031962010e+00 3.66 -9.932450176e-01 -9.932450176e-01 3.68 -9.555718849e-01 -9.555718849e-01 3.70 -9.189366562e-01 -9.189366562e-01 3.72 -8.833317408e-01 -8.833317408e-01 3.74 -8.487480670e-01 -8.487480670e-01 3.76 -8.151752279e-01 -8.151752279e-01 3.78 -7.826016180e-01 -7.826016180e-01 3.80 -7.510145615e-01 -7.510145615e-01 3.82 -7.204004322e-01 -7.204004322e-01 3.84 -6.907447658e-01 -6.907447658e-01 3.86 -6.620323644e-01 -6.620323644e-01 3.88 -6.342473938e-01 -6.342473938e-01 3.90 -6.073734743e-01 -6.073734743e-01 3.92 -5.813937646e-01 -5.813937646e-01 3.94 -5.562910394e-01 -5.562910394e-01 3.96 -5.320477614e-01 -5.320477614e-01 3.98 -5.086461475e-01 -5.086461475e-01 4.00 -4.860682299e-01 -4.860682299e-01 4.02 -4.642959118e-01 -4.642959118e-01 4.04 -4.433110194e-01 -4.433110194e-01 4.06 -4.230953479e-01 -4.230953479e-01 4.08 -4.036307050e-01 -4.036307050e-01 4.10 -3.848989495e-01 -3.848989495e-01 4.12 -3.668820267e-01 -3.668820267e-01 4.14 -3.495620001e-01 -3.495620001e-01 4.16 -3.329210800e-01 -3.329210800e-01 4.18 -3.169416497e-01 -3.169416497e-01 4.20 -3.016062881e-01 -3.016062881e-01 4.22 -2.868883277e-01 -2.868883277e-01 4.24 -2.727614138e-01 -2.727614138e-01 4.26 -2.592095753e-01 -2.592095753e-01 4.28 -2.462170832e-01 -2.462170832e-01 4.30 -2.337684618e-01 -2.337684618e-01 4.32 -2.218461328e-01 -2.218461328e-01 4.34 -2.104088053e-01 -2.104088053e-01 4.36 -1.994353998e-01 -1.994353998e-01 4.38 -1.889126804e-01 -1.889126804e-01 4.40 -1.788276804e-01 -1.788276804e-01 4.42 -1.691677049e-01 -1.691677049e-01 4.44 -1.599203334e-01 -1.599203334e-01 4.46 -1.510734208e-01 -1.510734208e-01 4.48 -1.426150978e-01 -1.426150978e-01 4.50 -1.345337716e-01 -1.345337716e-01 4.52 -1.268181260e-01 -1.268181260e-01 4.54 -1.194571154e-01 -1.194571154e-01 4.56 -1.124399665e-01 -1.124399665e-01 4.58 -1.057561765e-01 -1.057561765e-01 4.60 -9.939551111e-02 -9.939551111e-02 4.62 -9.334776639e-02 -9.334776639e-02 4.64 -8.760286207e-02 -8.760286207e-02 4.66 -8.215176562e-02 -8.215176562e-02 4.68 -7.698557145e-02 -7.698557145e-02 4.70 -7.209549207e-02 -7.209549207e-02 4.72 -6.747289077e-02 -6.747289077e-02 4.74 -6.310930692e-02 -6.310930692e-02 4.76 -5.899647487e-02 -5.899647487e-02 4.78 -5.512633759e-02 -5.512633759e-02 4.80 -5.149105594e-02 -5.149105594e-02 4.82 -4.808301416e-02 -4.808301416e-02 4.84 -4.489482245e-02 -4.489482245e-02 4.86 -4.191670425e-02 -4.191670425e-02 4.88 -3.912637239e-02 -3.912637239e-02 4.90 -3.650626180e-02 -3.650626180e-02 4.92 -3.403133547e-02 -3.403133547e-02 4.94 -3.169643012e-02 -3.169643012e-02 4.96 -2.949723168e-02 -2.949723168e-02 4.98 -2.742955022e-02 -2.742955022e-02 5.00 -2.547434614e-02 -2.547434614e-02 5.02 -2.361338461e-02 -2.361338461e-02 5.04 -2.184383164e-02 -2.184383164e-02 5.06 -2.016293091e-02 -2.016293091e-02 5.08 -1.856800195e-02 -1.856800195e-02 5.10 -1.705643852e-02 -1.705643852e-02 5.12 -1.562570698e-02 -1.562570698e-02 5.14 -1.427334466e-02 -1.427334466e-02 5.16 -1.299687784e-02 -1.299687784e-02 5.18 -1.179370642e-02 -1.179370642e-02 5.20 -1.066170435e-02 -1.066170435e-02 5.22 -9.598814476e-03 -9.598814476e-03 5.24 -8.603004065e-03 -8.603004065e-03 5.26 -7.672270606e-03 -7.672270606e-03 5.28 -6.804646494e-03 -6.804646494e-03 5.30 -5.998202824e-03 -5.998202824e-03 5.32 -5.251052386e-03 -5.251052386e-03 5.34 -4.561351961e-03 -4.561351961e-03 5.36 -3.927304028e-03 -3.927304028e-03 5.38 -3.347157944e-03 -3.347157944e-03 5.40 -2.819210695e-03 -2.819210695e-03 5.42 -2.341807258e-03 -2.341807258e-03 5.44 -1.913340653e-03 -1.913340653e-03 5.46 -1.532251711e-03 -1.532251711e-03 5.48 -1.197028631e-03 -1.197028631e-03 5.50 -9.062063325e-04 -9.062063325e-04 5.52 -6.583656658e-04 -6.583656658e-04 5.54 -4.521324891e-04 -4.521324891e-04 5.56 -2.861766475e-04 -2.861766475e-04 5.58 -1.592108742e-04 -1.592108742e-04 5.60 -6.998963170e-05 -6.998963170e-05 5.62 -1.730791059e-05 -1.730791059e-05 5.64 4.462403997e-11 4.462403998e-11 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