# 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 = AgPdPt2 # 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 6.653531257e+06 6.653531257e+06 0.88 6.091826599e+06 6.091826599e+06 0.90 5.579909933e+06 5.579909933e+06 0.92 5.112484937e+06 5.112484937e+06 0.94 4.684901302e+06 4.684901302e+06 0.96 4.293077472e+06 4.293077472e+06 0.98 3.933424594e+06 3.933424594e+06 1.00 3.602793847e+06 3.602793847e+06 1.02 3.298398439e+06 3.298398439e+06 1.04 3.017740046e+06 3.017740046e+06 1.06 2.758592031e+06 2.758592031e+06 1.08 2.519009117e+06 2.519009117e+06 1.10 2.297214229e+06 2.297214229e+06 1.12 2.091639589e+06 2.091639589e+06 1.14 1.900887966e+06 1.900887966e+06 1.16 1.723672291e+06 1.723672291e+06 1.18 1.558858023e+06 1.558858023e+06 1.20 1.405438557e+06 1.405438557e+06 1.22 1.262495998e+06 1.262495998e+06 1.24 1.129179259e+06 1.129179259e+06 1.26 1.004730136e+06 1.004730136e+06 1.28 8.884600863e+05 8.884600863e+05 1.30 7.797386751e+05 7.797386751e+05 1.32 6.779821507e+05 6.779821507e+05 1.34 5.826551353e+05 5.826551353e+05 1.36 4.932931270e+05 4.932931270e+05 1.38 4.101148471e+05 4.101148471e+05 1.40 3.374906520e+05 3.374906520e+05 1.42 2.745616164e+05 2.745616164e+05 1.44 2.201264600e+05 2.201264600e+05 1.46 1.756858853e+05 1.756858853e+05 1.48 1.403539605e+05 1.403539605e+05 1.50 1.122290394e+05 1.122290394e+05 1.52 8.981462982e+04 8.981462982e+04 1.54 7.193270521e+04 7.193270521e+04 1.56 5.765162599e+04 5.765162599e+04 1.58 4.623245852e+04 4.623245852e+04 1.60 3.709239571e+04 3.709239571e+04 1.62 2.977049956e+04 2.977049956e+04 1.64 2.390156860e+04 2.390156860e+04 1.66 1.919459330e+04 1.919459330e+04 1.68 1.541729745e+04 1.541729745e+04 1.70 1.238476913e+04 1.238476913e+04 1.72 9.949347740e+03 9.949347740e+03 1.74 7.992874414e+03 7.992874414e+03 1.76 6.420699824e+03 6.420699824e+03 1.78 5.157131667e+03 5.157131667e+03 1.80 4.141462521e+03 4.141462521e+03 1.82 3.324898304e+03 3.324898304e+03 1.84 2.668348265e+03 2.668348265e+03 1.86 2.140519386e+03 2.140519386e+03 1.88 1.716250089e+03 1.716250089e+03 1.90 1.375283829e+03 1.375283829e+03 1.92 1.101323935e+03 1.101323935e+03 1.94 8.812652200e+02 8.812652200e+02 1.96 7.045757047e+02 7.045757047e+02 1.98 5.627770516e+02 5.627770516e+02 2.00 4.490384979e+02 4.490384979e+02 2.02 3.578407893e+02 3.578407893e+02 2.04 2.847593728e+02 2.847593728e+02 2.06 2.262372028e+02 2.262372028e+02 2.08 1.794084997e+02 1.794084997e+02 2.10 1.419548095e+02 1.419548095e+02 2.12 1.120187698e+02 1.120187698e+02 2.14 8.811283025e+01 8.811283025e+01 2.16 6.903857319e+01 6.903857319e+01 2.18 5.383163634e+01 5.383163634e+01 2.20 4.172014548e+01 4.172014548e+01 2.22 3.208387830e+01 3.208387830e+01 2.24 2.442472714e+01 2.442472714e+01 2.26 1.834267532e+01 1.834267532e+01 2.28 1.351714488e+01 1.351714488e+01 2.30 9.691722608e+00 9.691722608e+00 2.32 6.661315902e+00 6.661315902e+00 2.34 4.262118555e+00 4.262118555e+00 2.36 2.363500977e+00 2.363500977e+00 2.38 8.614812638e-01 8.614812638e-01 2.40 -3.265571599e-01 -3.265571599e-01 2.42 -1.266160563e+00 -1.266160563e+00 2.44 -2.009233371e+00 -2.009233371e+00 2.46 -2.596821048e+00 -2.596821048e+00 2.48 -3.061287786e+00 -3.061287786e+00 2.50 -3.428072975e+00 -3.428072975e+00 2.52 -3.717173743e+00 -3.717173743e+00 2.54 -3.944282256e+00 -3.944282256e+00 2.56 -4.121694111e+00 -4.121694111e+00 2.58 -4.259032736e+00 -4.259032736e+00 2.60 -4.363825762e+00 -4.363825762e+00 2.62 -4.441962471e+00 -4.441962471e+00 2.64 -4.498055872e+00 -4.498055872e+00 2.66 -4.535728423e+00 -4.535728423e+00 2.68 -4.557836724e+00 -4.557836724e+00 2.70 -4.566638500e+00 -4.566638500e+00 2.72 -4.563930756e+00 -4.563930756e+00 2.74 -4.551164619e+00 -4.551164619e+00 2.76 -4.529542210e+00 -4.529542210e+00 2.78 -4.500066824e+00 -4.500066824e+00 2.80 -4.463590158e+00 -4.463590158e+00 2.82 -4.420804675e+00 -4.420804675e+00 2.84 -4.372287796e+00 -4.372287796e+00 2.86 -4.318553947e+00 -4.318553947e+00 2.88 -4.260120854e+00 -4.260120854e+00 2.90 -4.197467806e+00 -4.197467806e+00 2.92 -4.131041160e+00 -4.131041160e+00 2.94 -4.061259993e+00 -4.061259993e+00 2.96 -3.988498898e+00 -3.988498898e+00 2.98 -3.913074759e+00 -3.913074759e+00 3.00 -3.835335333e+00 -3.835335333e+00 3.02 -3.755613860e+00 -3.755613860e+00 3.04 -3.674227006e+00 -3.674227006e+00 3.06 -3.591475310e+00 -3.591475310e+00 3.08 -3.507643443e+00 -3.507643443e+00 3.10 -3.423000368e+00 -3.423000368e+00 3.12 -3.337799459e+00 -3.337799459e+00 3.14 -3.252278617e+00 -3.252278617e+00 3.16 -3.166660414e+00 -3.166660414e+00 3.18 -3.081152282e+00 -3.081152282e+00 3.20 -2.995946754e+00 -2.995946754e+00 3.22 -2.911221761e+00 -2.911221761e+00 3.24 -2.827140987e+00 -2.827140987e+00 3.26 -2.743854275e+00 -2.743854275e+00 3.28 -2.661498078e+00 -2.661498078e+00 3.30 -2.580176382e+00 -2.580176382e+00 3.32 -2.499966197e+00 -2.499966197e+00 3.34 -2.420915009e+00 -2.420915009e+00 3.36 -2.343097403e+00 -2.343097403e+00 3.38 -2.266592762e+00 -2.266592762e+00 3.40 -2.191470694e+00 -2.191470694e+00 3.42 -2.117791590e+00 -2.117791590e+00 3.44 -2.045607174e+00 -2.045607174e+00 3.46 -1.974959038e+00 -1.974959038e+00 3.48 -1.905853482e+00 -1.905853482e+00 3.50 -1.838309725e+00 -1.838309725e+00 3.52 -1.772350464e+00 -1.772350464e+00 3.54 -1.707992471e+00 -1.707992471e+00 3.56 -1.645247060e+00 -1.645247060e+00 3.58 -1.584120529e+00 -1.584120529e+00 3.60 -1.524614589e+00 -1.524614589e+00 3.62 -1.466726764e+00 -1.466726764e+00 3.64 -1.410450777e+00 -1.410450777e+00 3.66 -1.355776914e+00 -1.355776914e+00 3.68 -1.302692357e+00 -1.302692357e+00 3.70 -1.251181514e+00 -1.251181514e+00 3.72 -1.201226312e+00 -1.201226312e+00 3.74 -1.152806482e+00 -1.152806482e+00 3.76 -1.105899819e+00 -1.105899819e+00 3.78 -1.060482425e+00 -1.060482425e+00 3.80 -1.016528933e+00 -1.016528933e+00 3.82 -9.740127222e-01 -9.740127222e-01 3.84 -9.329061030e-01 -9.329061030e-01 3.86 -8.931805004e-01 -8.931805004e-01 3.88 -8.548066151e-01 -8.548066151e-01 3.90 -8.177545733e-01 -8.177545733e-01 3.92 -7.819940638e-01 -7.819940638e-01 3.94 -7.474944627e-01 -7.474944627e-01 3.96 -7.142249470e-01 -7.142249470e-01 3.98 -6.821545970e-01 -6.821545970e-01 4.00 -6.512524898e-01 -6.512524898e-01 4.02 -6.214877825e-01 -6.214877825e-01 4.04 -5.928297879e-01 -5.928297879e-01 4.06 -5.652480409e-01 -5.652480409e-01 4.08 -5.387123588e-01 -5.387123588e-01 4.10 -5.131928943e-01 -5.131928943e-01 4.12 -4.886601814e-01 -4.886601814e-01 4.14 -4.650851769e-01 -4.650851769e-01 4.16 -4.424392953e-01 -4.424392953e-01 4.18 -4.206944396e-01 -4.206944396e-01 4.20 -3.998230270e-01 -3.998230270e-01 4.22 -3.797980109e-01 -3.797980109e-01 4.24 -3.605928988e-01 -3.605928988e-01 4.26 -3.421817671e-01 -3.421817671e-01 4.28 -3.245392723e-01 -3.245392723e-01 4.30 -3.076406602e-01 -3.076406602e-01 4.32 -2.914617714e-01 -2.914617714e-01 4.34 -2.759790452e-01 -2.759790452e-01 4.36 -2.611695215e-01 -2.611695215e-01 4.38 -2.470108405e-01 -2.470108405e-01 4.40 -2.334812409e-01 -2.334812409e-01 4.42 -2.205595562e-01 -2.205595562e-01 4.44 -2.082252107e-01 -2.082252107e-01 4.46 -1.964582127e-01 -1.964582127e-01 4.48 -1.852391486e-01 -1.852391486e-01 4.50 -1.745491743e-01 -1.745491743e-01 4.52 -1.643700072e-01 -1.643700072e-01 4.54 -1.546839167e-01 -1.546839167e-01 4.56 -1.454737143e-01 -1.454737143e-01 4.58 -1.367227434e-01 -1.367227434e-01 4.60 -1.284148688e-01 -1.284148688e-01 4.62 -1.205344652e-01 -1.205344652e-01 4.64 -1.130664063e-01 -1.130664063e-01 4.66 -1.059872057e-01 -1.059872057e-01 4.68 -9.927057354e-02 -9.927057354e-02 4.70 -9.289542629e-02 -9.289542629e-02 4.72 -8.682948038e-02 -8.682948038e-02 4.74 -8.106105328e-02 -8.106105328e-02 4.76 -7.557982385e-02 -7.557982385e-02 4.78 -7.037580528e-02 -7.037580528e-02 4.80 -6.543933618e-02 -6.543933618e-02 4.82 -6.076107171e-02 -6.076107171e-02 4.84 -5.633197477e-02 -5.633197477e-02 4.86 -5.214330739e-02 -5.214330739e-02 4.88 -4.818649216e-02 -4.818649216e-02 4.90 -4.444967023e-02 -4.444967023e-02 4.92 -4.091733879e-02 -4.091733879e-02 4.94 -3.758208018e-02 -3.758208018e-02 4.96 -3.443698453e-02 -3.443698453e-02 4.98 -3.147536049e-02 -3.147536049e-02 5.00 -2.869073185e-02 -2.869073185e-02 5.02 -2.607683374e-02 -2.607683374e-02 5.04 -2.362760833e-02 -2.362760833e-02 5.06 -2.133719213e-02 -2.133719213e-02 5.08 -1.919955205e-02 -1.919955205e-02 5.10 -1.720922048e-02 -1.720922048e-02 5.12 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-1.125346616e-05 5.64 2.901379962e-11 2.901379962e-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