# 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 = AgNi2Pd # 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 4.555223540e+06 4.555223540e+06 0.88 4.144021793e+06 4.144021793e+06 0.90 3.769110759e+06 3.769110759e+06 0.92 3.426637301e+06 3.426637301e+06 0.94 3.113216739e+06 3.113216739e+06 0.96 2.825863724e+06 2.825863724e+06 0.98 2.561978938e+06 2.561978938e+06 1.00 2.319245422e+06 2.319245422e+06 1.02 2.095636624e+06 2.095636624e+06 1.04 1.889325566e+06 1.889325566e+06 1.06 1.698698649e+06 1.698698649e+06 1.08 1.522358494e+06 1.522358494e+06 1.10 1.359016818e+06 1.359016818e+06 1.12 1.207524925e+06 1.207524925e+06 1.14 1.066859798e+06 1.066859798e+06 1.16 9.360736746e+05 9.360736746e+05 1.18 8.143504740e+05 8.143504740e+05 1.20 7.009436244e+05 7.009436244e+05 1.22 5.951847306e+05 5.951847306e+05 1.24 4.964592167e+05 4.964592167e+05 1.26 4.042658012e+05 4.042658012e+05 1.28 3.214512783e+05 3.214512783e+05 1.30 2.540043263e+05 2.540043263e+05 1.32 2.010220563e+05 2.010220563e+05 1.34 1.593188889e+05 1.593188889e+05 1.36 1.264365088e+05 1.264365088e+05 1.38 1.004682139e+05 1.004682139e+05 1.40 7.992792264e+04 7.992792264e+04 1.42 6.365547181e+04 6.365547181e+04 1.44 5.074227525e+04 5.074227525e+04 1.46 4.048156328e+04 4.048156328e+04 1.48 3.232013391e+04 3.232013391e+04 1.50 2.582183385e+04 2.582183385e+04 1.52 2.064240523e+04 2.064240523e+04 1.54 1.651078731e+04 1.651078731e+04 1.56 1.321223197e+04 1.321223197e+04 1.58 1.057613284e+04 1.057613284e+04 1.60 8.467791854e+03 8.467791854e+03 1.62 6.780735096e+03 6.780735096e+03 1.64 5.430040137e+03 5.430040137e+03 1.66 4.348185599e+03 4.348185599e+03 1.68 3.481319124e+03 3.481319124e+03 1.70 2.786613726e+03 2.786613726e+03 1.72 2.229848651e+03 2.229848651e+03 1.74 1.783549023e+03 1.783549023e+03 1.76 1.425789076e+03 1.425789076e+03 1.78 1.139063999e+03 1.139063999e+03 1.80 9.093210397e+02 9.093210397e+02 1.82 7.252671582e+02 7.252671582e+02 1.84 5.778820192e+02 5.778820192e+02 1.86 4.599228156e+02 4.599228156e+02 1.88 3.655708204e+02 3.655708204e+02 1.90 2.901284561e+02 2.901284561e+02 1.92 2.298375212e+02 2.298375212e+02 1.94 1.816964704e+02 1.816964704e+02 1.96 1.432873992e+02 1.432873992e+02 1.98 1.126767904e+02 1.126767904e+02 2.00 8.831010378e+01 8.831010378e+01 2.02 6.893413055e+01 6.893413055e+01 2.04 5.354654051e+01 5.354654051e+01 2.06 4.134384195e+01 4.134384195e+01 2.08 3.168103017e+01 3.168103017e+01 2.10 2.403887680e+01 2.403887680e+01 2.12 1.800339303e+01 1.800339303e+01 2.14 1.324431732e+01 1.324431732e+01 2.16 9.497337615e+00 9.497337615e+00 2.18 6.552206826e+00 6.552206826e+00 2.20 4.241222711e+00 4.241222711e+00 2.22 2.430760939e+00 2.430760939e+00 2.24 1.014547138e+00 1.014547138e+00 2.26 -9.182032495e-02 -9.182032495e-02 2.28 -9.550970137e-01 -9.550970137e-01 2.30 -1.627925333e+00 -1.627925333e+00 2.32 -2.151801301e+00 -2.151801301e+00 2.34 -2.559331897e+00 -2.559331897e+00 2.36 -2.876060383e+00 -2.876060383e+00 2.38 -3.121938744e+00 -3.121938744e+00 2.40 -3.312492410e+00 -3.312492410e+00 2.42 -3.459758214e+00 -3.459758214e+00 2.44 -3.573020842e+00 -3.573020842e+00 2.46 -3.659399427e+00 -3.659399427e+00 2.48 -3.724370445e+00 -3.724370445e+00 2.50 -3.772125728e+00 -3.772125728e+00 2.52 -3.805863801e+00 -3.805863801e+00 2.54 -3.828013678e+00 -3.828013678e+00 2.56 -3.840344194e+00 -3.840344194e+00 2.58 -3.844242404e+00 -3.844242404e+00 2.60 -3.840792497e+00 -3.840792497e+00 2.62 -3.830836364e+00 -3.830836364e+00 2.64 -3.815037881e+00 -3.815037881e+00 2.66 -3.793931930e+00 -3.793931930e+00 2.68 -3.767961393e+00 -3.767961393e+00 2.70 -3.737490887e+00 -3.737490887e+00 2.72 -3.702840539e+00 -3.702840539e+00 2.74 -3.664314581e+00 -3.664314581e+00 2.76 -3.622197889e+00 -3.622197889e+00 2.78 -3.576762957e+00 -3.576762957e+00 2.80 -3.528274355e+00 -3.528274355e+00 2.82 -3.476942848e+00 -3.476942848e+00 2.84 -3.422968268e+00 -3.422968268e+00 2.86 -3.366587347e+00 -3.366587347e+00 2.88 -3.308046024e+00 -3.308046024e+00 2.90 -3.247586149e+00 -3.247586149e+00 2.92 -3.185444863e+00 -3.185444863e+00 2.94 -3.121853839e+00 -3.121853839e+00 2.96 -3.057017758e+00 -3.057017758e+00 2.98 -2.991089054e+00 -2.991089054e+00 3.00 -2.924209807e+00 -2.924209807e+00 3.02 -2.856566550e+00 -2.856566550e+00 3.04 -2.788347215e+00 -2.788347215e+00 3.06 -2.719730590e+00 -2.719730590e+00 3.08 -2.650886053e+00 -2.650886053e+00 3.10 -2.581973399e+00 -2.581973399e+00 3.12 -2.513142738e+00 -2.513142738e+00 3.14 -2.444534473e+00 -2.444534473e+00 3.16 -2.376279346e+00 -2.376279346e+00 3.18 -2.308498552e+00 -2.308498552e+00 3.20 -2.241303902e+00 -2.241303902e+00 3.22 -2.174798041e+00 -2.174798041e+00 3.24 -2.109074703e+00 -2.109074703e+00 3.26 -2.044219005e+00 -2.044219005e+00 3.28 -1.980307765e+00 -1.980307765e+00 3.30 -1.917387736e+00 -1.917387736e+00 3.32 -1.855487175e+00 -1.855487175e+00 3.34 -1.794661559e+00 -1.794661559e+00 3.36 -1.734959922e+00 -1.734959922e+00 3.38 -1.676424840e+00 -1.676424840e+00 3.40 -1.619092799e+00 -1.619092799e+00 3.42 -1.562994567e+00 -1.562994567e+00 3.44 -1.508155556e+00 -1.508155556e+00 3.46 -1.454593860e+00 -1.454593860e+00 3.48 -1.402291285e+00 -1.402291285e+00 3.50 -1.351248762e+00 -1.351248762e+00 3.52 -1.301474755e+00 -1.301474755e+00 3.54 -1.252974122e+00 -1.252974122e+00 3.56 -1.205748406e+00 -1.205748406e+00 3.58 -1.159796113e+00 -1.159796113e+00 3.60 -1.115112967e+00 -1.115112967e+00 3.62 -1.071692167e+00 -1.071692167e+00 3.64 -1.029524618e+00 -1.029524618e+00 3.66 -9.885991570e-01 -9.885991570e-01 3.68 -9.489027582e-01 -9.489027582e-01 3.70 -9.104207345e-01 -9.104207345e-01 3.72 -8.731369200e-01 -8.731369200e-01 3.74 -8.370338428e-01 -8.370338428e-01 3.76 -8.020928865e-01 -8.020928865e-01 3.78 -7.682944398e-01 -7.682944398e-01 3.80 -7.356180359e-01 -7.356180359e-01 3.82 -7.040424815e-01 -7.040424815e-01 3.84 -6.735459759e-01 -6.735459759e-01 3.86 -6.441062217e-01 -6.441062217e-01 3.88 -6.157005254e-01 -6.157005254e-01 3.90 -5.883058908e-01 -5.883058908e-01 3.92 -5.618991039e-01 -5.618991039e-01 3.94 -5.364568113e-01 -5.364568113e-01 3.96 -5.119555904e-01 -5.119555904e-01 3.98 -4.883720144e-01 -4.883720144e-01 4.00 -4.656827100e-01 -4.656827100e-01 4.02 -4.438644109e-01 -4.438644109e-01 4.04 -4.228940043e-01 -4.228940043e-01 4.06 -4.027485739e-01 -4.027485739e-01 4.08 -3.834054376e-01 -3.834054376e-01 4.10 -3.648421808e-01 -3.648421808e-01 4.12 -3.470366863e-01 -3.470366863e-01 4.14 -3.299671604e-01 -3.299671604e-01 4.16 -3.136121552e-01 -3.136121552e-01 4.18 -2.979505881e-01 -2.979505881e-01 4.20 -2.829617593e-01 -2.829617593e-01 4.22 -2.686010379e-01 -2.686010379e-01 4.24 -2.548243626e-01 -2.548243626e-01 4.26 -2.416141275e-01 -2.416141275e-01 4.28 -2.289531064e-01 -2.289531064e-01 4.30 -2.168244536e-01 -2.168244536e-01 4.32 -2.052117080e-01 -2.052117080e-01 4.34 -1.940987948e-01 -1.940987948e-01 4.36 -1.834700262e-01 -1.834700262e-01 4.38 -1.733101029e-01 -1.733101029e-01 4.40 -1.636041101e-01 -1.636041101e-01 4.42 -1.543375165e-01 -1.543375165e-01 4.44 -1.454961729e-01 -1.454961729e-01 4.46 -1.370663087e-01 -1.370663087e-01 4.48 -1.290344499e-01 -1.290344499e-01 4.50 -1.213873358e-01 -1.213873358e-01 4.52 -1.141124983e-01 -1.141124983e-01 4.54 -1.071977870e-01 -1.071977870e-01 4.56 -1.006312206e-01 -1.006312206e-01 4.58 -9.440122991e-02 -9.440122991e-02 4.60 -8.849664250e-02 -8.849664250e-02 4.62 -8.290656422e-02 -8.290656422e-02 4.64 -7.762039154e-02 -7.762039154e-02 4.66 -7.261889377e-02 -7.261889377e-02 4.68 -6.787986660e-02 -6.787986660e-02 4.70 -6.339441166e-02 -6.339441166e-02 4.72 -5.915399293e-02 -5.915399293e-02 4.74 -5.515033475e-02 -5.515033475e-02 4.76 -5.137541811e-02 -5.137541811e-02 4.78 -4.782147623e-02 -4.782147623e-02 4.80 -4.448098947e-02 -4.448098947e-02 4.82 -4.134667971e-02 -4.134667971e-02 4.84 -3.841150444e-02 -3.841150444e-02 4.86 -3.566395679e-02 -3.566395679e-02 4.88 -3.306987239e-02 -3.306987239e-02 4.90 -3.061604053e-02 -3.061604053e-02 4.92 -2.829004754e-02 -2.829004754e-02 4.94 -2.608747843e-02 -2.608747843e-02 4.96 -2.400432776e-02 -2.400432776e-02 4.98 -2.203670971e-02 -2.203670971e-02 5.00 -2.018085529e-02 -2.018085529e-02 5.02 -1.843310944e-02 -1.843310944e-02 5.04 -1.678992817e-02 -1.678992817e-02 5.06 -1.524786816e-02 -1.524786816e-02 5.08 -1.380324714e-02 -1.380324714e-02 5.10 -1.245283554e-02 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-9.751388405e-06 -9.751388405e-06 5.64 2.514131763e-11 2.514131763e-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