# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Au2PdPt # 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 2022-05-24 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 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 1.105640262e+03 1.105640262e+03 1.00 1.015940081e+03 1.015940081e+03 1.02 9.343286925e+02 9.343286925e+02 1.04 8.599806404e+02 8.599806404e+02 1.06 7.921659454e+02 7.921659454e+02 1.08 7.302382411e+02 7.302382411e+02 1.10 6.736212756e+02 6.736212756e+02 1.12 6.218034826e+02 6.218034826e+02 1.14 5.743286726e+02 5.743286726e+02 1.16 5.307886857e+02 5.307886857e+02 1.18 4.908185625e+02 4.908185625e+02 1.20 4.540913242e+02 4.540913242e+02 1.22 4.203133822e+02 4.203133822e+02 1.24 3.892193915e+02 3.892193915e+02 1.26 3.605717777e+02 3.605717777e+02 1.28 3.341564450e+02 3.341564450e+02 1.30 3.097805254e+02 3.097805254e+02 1.32 2.872684761e+02 2.872684761e+02 1.34 2.664620265e+02 2.664620265e+02 1.36 2.472179281e+02 2.472179281e+02 1.38 2.294063964e+02 2.294063964e+02 1.40 2.129094921e+02 2.129094921e+02 1.42 1.976203384e+02 1.976203384e+02 1.44 1.834410371e+02 1.834410371e+02 1.46 1.702828115e+02 1.702828115e+02 1.48 1.580646387e+02 1.580646387e+02 1.50 1.467128109e+02 1.467128109e+02 1.52 1.361599558e+02 1.361599558e+02 1.54 1.263443964e+02 1.263443964e+02 1.56 1.172099274e+02 1.172099274e+02 1.58 1.087048580e+02 1.087048580e+02 1.60 1.007815150e+02 1.007815150e+02 1.62 9.339659619e+01 9.339659619e+01 1.64 8.651014276e+01 8.651014276e+01 1.66 8.008571992e+01 8.008571992e+01 1.68 7.408976856e+01 7.408976856e+01 1.70 6.849137341e+01 6.849137341e+01 1.72 6.326205835e+01 6.326205835e+01 1.74 5.837555425e+01 5.837555425e+01 1.76 5.380766016e+01 5.380766016e+01 1.78 4.953625765e+01 4.953625765e+01 1.80 4.554045390e+01 4.554045390e+01 1.82 4.180107436e+01 4.180107436e+01 1.84 3.830051712e+01 3.830051712e+01 1.86 3.502246398e+01 3.502246398e+01 1.88 3.195571451e+01 3.195571451e+01 1.90 2.908679946e+01 2.908679946e+01 1.92 2.641465425e+01 2.641465425e+01 1.94 2.392450995e+01 2.392450995e+01 1.96 2.160534285e+01 2.160534285e+01 1.98 1.944675921e+01 1.944675921e+01 2.00 1.743894379e+01 1.743894379e+01 2.02 1.557268989e+01 1.557268989e+01 2.04 1.383932464e+01 1.383932464e+01 2.06 1.223059375e+01 1.223059375e+01 2.08 1.073871098e+01 1.073871098e+01 2.10 9.356552073e+00 9.356552073e+00 2.12 8.077327539e+00 8.077327539e+00 2.14 6.894473425e+00 6.894473425e+00 2.16 5.801865818e+00 5.801865818e+00 2.18 4.793776309e+00 4.793776309e+00 2.20 3.864866008e+00 3.864866008e+00 2.22 3.009945612e+00 3.009945612e+00 2.24 2.224335953e+00 2.224335953e+00 2.26 1.503598141e+00 1.503598141e+00 2.28 8.435673151e-01 8.435673151e-01 2.30 2.403539053e-01 2.403539053e-01 2.32 -3.100397128e-01 -3.100397128e-01 2.34 -8.110449620e-01 -8.110449620e-01 2.36 -1.265989317e+00 -1.265989317e+00 2.38 -1.678002077e+00 -1.678002077e+00 2.40 -2.049829556e+00 -2.049829556e+00 2.42 -2.384216413e+00 -2.384216413e+00 2.44 -2.683836357e+00 -2.683836357e+00 2.46 -2.951275599e+00 -2.951275599e+00 2.48 -3.188833702e+00 -3.188833702e+00 2.50 -3.398668887e+00 -3.398668887e+00 2.52 -3.582805884e+00 -3.582805884e+00 2.54 -3.743143408e+00 -3.743143408e+00 2.56 -3.881409721e+00 -3.881409721e+00 2.58 -3.999135000e+00 -3.999135000e+00 2.60 -4.098073320e+00 -4.098073320e+00 2.62 -4.179687895e+00 -4.179687895e+00 2.64 -4.245348053e+00 -4.245348053e+00 2.66 -4.296495931e+00 -4.296495931e+00 2.68 -4.334150319e+00 -4.334150319e+00 2.70 -4.359237419e+00 -4.359237419e+00 2.72 -4.372939112e+00 -4.372939112e+00 2.74 -4.376302360e+00 -4.376302360e+00 2.76 -4.370232030e+00 -4.370232030e+00 2.78 -4.356189275e+00 -4.356189275e+00 2.80 -4.334826730e+00 -4.334826730e+00 2.82 -4.306407136e+00 -4.306407136e+00 2.84 -4.271609634e+00 -4.271609634e+00 2.86 -4.231067833e+00 -4.231067833e+00 2.88 -4.185371455e+00 -4.185371455e+00 2.90 -4.135118930e+00 -4.135118930e+00 2.92 -4.081315810e+00 -4.081315810e+00 2.94 -4.023841675e+00 -4.023841675e+00 2.96 -3.963135824e+00 -3.963135824e+00 2.98 -3.899168751e+00 -3.899168751e+00 3.00 -3.832501747e+00 -3.832501747e+00 3.02 -3.763805336e+00 -3.763805336e+00 3.04 -3.693382692e+00 -3.693382692e+00 3.06 -3.621566962e+00 -3.621566962e+00 3.08 -3.548217679e+00 -3.548217679e+00 3.10 -3.473072441e+00 -3.473072441e+00 3.12 -3.397258978e+00 -3.397258978e+00 3.14 -3.321065712e+00 -3.321065712e+00 3.16 -3.244675189e+00 -3.244675189e+00 3.18 -3.168263251e+00 -3.168263251e+00 3.20 -3.091988840e+00 -3.091988840e+00 3.22 -3.015996358e+00 -3.015996358e+00 3.24 -2.940404941e+00 -2.940404941e+00 3.26 -2.865943044e+00 -2.865943044e+00 3.28 -2.792287077e+00 -2.792287077e+00 3.30 -2.719321820e+00 -2.719321820e+00 3.32 -2.647134483e+00 -2.647134483e+00 3.34 -2.575803823e+00 -2.575803823e+00 3.36 -2.505400078e+00 -2.505400078e+00 3.38 -2.435984941e+00 -2.435984941e+00 3.40 -2.367636566e+00 -2.367636566e+00 3.42 -2.300704309e+00 -2.300704309e+00 3.44 -2.234885184e+00 -2.234885184e+00 3.46 -2.170215939e+00 -2.170215939e+00 3.48 -2.106726113e+00 -2.106726113e+00 3.50 -2.044441873e+00 -2.044441873e+00 3.52 -1.983382525e+00 -1.983382525e+00 3.54 -1.923564745e+00 -1.923564745e+00 3.56 -1.865002286e+00 -1.865002286e+00 3.58 -1.807701117e+00 -1.807701117e+00 3.60 -1.751665794e+00 -1.751665794e+00 3.62 -1.696908334e+00 -1.696908334e+00 3.64 -1.643403147e+00 -1.643403147e+00 3.66 -1.591086809e+00 -1.591086809e+00 3.68 -1.539938653e+00 -1.539938653e+00 3.70 -1.489987336e+00 -1.489987336e+00 3.72 -1.441233782e+00 -1.441233782e+00 3.74 -1.393641521e+00 -1.393641521e+00 3.76 -1.347185945e+00 -1.347185945e+00 3.78 -1.301874540e+00 -1.301874540e+00 3.80 -1.257726193e+00 -1.257726193e+00 3.82 -1.214751866e+00 -1.214751866e+00 3.84 -1.172945408e+00 -1.172945408e+00 3.86 -1.132301211e+00 -1.132301211e+00 3.88 -1.092781275e+00 -1.092781275e+00 3.90 -1.054360679e+00 -1.054360679e+00 3.92 -1.017024255e+00 -1.017024255e+00 3.94 -9.807683371e-01 -9.807683371e-01 3.96 -9.455887562e-01 -9.455887562e-01 3.98 -9.114113445e-01 -9.114113445e-01 4.00 -8.781276061e-01 -8.781276061e-01 4.02 -8.457296807e-01 -8.457296807e-01 4.04 -8.142936557e-01 -8.142936557e-01 4.06 -7.838857154e-01 -7.838857154e-01 4.08 -7.545515139e-01 -7.545515139e-01 4.10 -7.263196172e-01 -7.263196172e-01 4.12 -6.992144325e-01 -6.992144325e-01 4.14 -6.733553791e-01 -6.733553791e-01 4.16 -6.486695518e-01 -6.486695518e-01 4.18 -6.249095748e-01 -6.249095748e-01 4.20 -6.018335961e-01 -6.018335961e-01 4.22 -5.792626459e-01 -5.792626459e-01 4.24 -5.570684583e-01 -5.570684583e-01 4.26 -5.351632768e-01 -5.351632768e-01 4.28 -5.134913533e-01 -5.134913533e-01 4.30 -4.920218915e-01 -4.920218915e-01 4.32 -4.707432173e-01 -4.707432173e-01 4.34 -4.496579874e-01 -4.496579874e-01 4.36 -4.287789483e-01 -4.287789483e-01 4.38 -4.080702722e-01 -4.080702722e-01 4.40 -3.875417077e-01 -3.875417077e-01 4.42 -3.673245798e-01 -3.673245798e-01 4.44 -3.475398963e-01 -3.475398963e-01 4.46 -3.282802927e-01 -3.282802927e-01 4.48 -3.096148425e-01 -3.096148425e-01 4.50 -2.915931345e-01 -2.915931345e-01 4.52 -2.742487242e-01 -2.742487242e-01 4.54 -2.576020502e-01 -2.576020502e-01 4.56 -2.416627229e-01 -2.416627229e-01 4.58 -2.264176512e-01 -2.264176512e-01 4.60 -2.122691059e-01 -2.122691059e-01 4.62 -1.991686619e-01 -1.991686619e-01 4.64 -1.866898310e-01 -1.866898310e-01 4.66 -1.748291466e-01 -1.748291466e-01 4.68 -1.635670308e-01 -1.635670308e-01 4.70 -1.528823994e-01 -1.528823994e-01 4.72 -1.427532093e-01 -1.427532093e-01 4.74 -1.331568586e-01 -1.331568586e-01 4.76 -1.240705107e-01 -1.240705107e-01 4.78 -1.154713536e-01 -1.154713536e-01 4.80 -1.073269624e-01 -1.073269624e-01 4.82 -9.991657761e-02 -9.991657761e-02 4.84 -9.302268222e-02 -9.302268222e-02 4.86 -8.650197653e-02 -8.650197653e-02 4.88 -8.033581609e-02 -8.033581609e-02 4.90 -7.450622045e-02 -7.450622045e-02 4.92 -6.899589807e-02 -6.899589807e-02 4.94 -6.378826033e-02 -6.378826033e-02 4.96 -5.886742569e-02 -5.886742569e-02 4.98 -5.421821683e-02 -5.421821683e-02 5.00 -4.982615192e-02 -4.982615192e-02 5.02 -4.567743215e-02 -4.567743215e-02 5.04 -4.175892532e-02 -4.175892532e-02 5.06 -3.805814579e-02 -3.805814579e-02 5.08 -3.456323355e-02 -3.456323355e-02 5.10 -3.126293175e-02 -3.126293175e-02 5.12 -2.814656369e-02 -2.814656369e-02 5.14 -2.520400881e-02 -2.520400881e-02 5.16 -2.242567864e-02 -2.242567864e-02 5.18 -1.980249295e-02 -1.980249295e-02 5.20 -1.732585633e-02 -1.732585633e-02 5.22 -1.498763535e-02 -1.498763535e-02 5.24 -1.278013566e-02 -1.278013566e-02 5.26 -1.069605163e-02 -1.069605163e-02 5.28 -8.730372185e-03 -8.730372185e-03 5.30 -6.917148908e-03 -6.917148908e-03 5.32 -6.112085928e-03 -6.112085928e-03 5.34 -5.384349602e-03 -5.384349602e-03 5.36 -4.707085539e-03 -4.707085539e-03 5.38 -4.070509477e-03 -4.070509477e-03 5.40 -3.472246709e-03 -3.472246709e-03 5.42 -2.910056861e-03 -2.910056861e-03 5.44 -2.381826548e-03 -2.381826548e-03 5.46 -1.885562434e-03 -1.885562434e-03 5.48 -1.419384672e-03 -1.419384672e-03 5.50 -9.815206939e-04 -9.815206939e-04 5.52 -5.702992272e-04 -5.702992272e-04 5.54 -1.816660986e-04 -1.816660986e-04 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