# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CuFeMo2 # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.171826746e+02 2.171826746e+02 1.30 1.996378887e+02 1.996378887e+02 1.32 1.834998208e+02 1.834998208e+02 1.34 1.686392110e+02 1.686392110e+02 1.36 1.549363740e+02 1.549363740e+02 1.38 1.422827772e+02 1.422827772e+02 1.40 1.305828726e+02 1.305828726e+02 1.42 1.197550094e+02 1.197550094e+02 1.44 1.097304746e+02 1.097304746e+02 1.46 1.004509337e+02 1.004509337e+02 1.48 9.186542842e+01 9.186542842e+01 1.50 8.392795925e+01 8.392795925e+01 1.52 7.659598309e+01 7.659598309e+01 1.54 6.982957027e+01 6.982957027e+01 1.56 6.359087630e+01 6.359087630e+01 1.58 5.784382379e+01 5.784382379e+01 1.60 5.255401585e+01 5.255401585e+01 1.62 4.768878750e+01 4.768878750e+01 1.64 4.321720596e+01 4.321720596e+01 1.66 3.910992570e+01 3.910992570e+01 1.68 3.533894939e+01 3.533894939e+01 1.70 3.187750067e+01 3.187750067e+01 1.72 2.870412013e+01 2.870412013e+01 1.74 2.579564720e+01 2.579564720e+01 1.76 2.312728373e+01 2.312728373e+01 1.78 2.067558257e+01 2.067558257e+01 1.80 1.841902608e+01 1.841902608e+01 1.82 1.633848040e+01 1.633848040e+01 1.84 1.441759538e+01 1.441759538e+01 1.86 1.264290171e+01 1.264290171e+01 1.88 1.100354246e+01 1.100354246e+01 1.90 9.490719532e+00 9.490719532e+00 1.92 8.097024983e+00 8.097024983e+00 1.94 6.815829268e+00 6.815829268e+00 1.96 5.640831943e+00 5.640831943e+00 1.98 4.565795633e+00 4.565795633e+00 2.00 3.584426674e+00 3.584426674e+00 2.02 2.690349511e+00 2.690349511e+00 2.04 1.877133054e+00 1.877133054e+00 2.06 1.138345943e+00 1.138345943e+00 2.08 4.676327651e-01 4.676327651e-01 2.10 -1.411895744e-01 -1.411895744e-01 2.12 -6.940180049e-01 -6.940180049e-01 2.14 -1.196343600e+00 -1.196343600e+00 2.16 -1.653147101e+00 -1.653147101e+00 2.18 -2.068832754e+00 -2.068832754e+00 2.20 -2.447215053e+00 -2.447215053e+00 2.22 -2.791558106e+00 -2.791558106e+00 2.24 -3.104654172e+00 -3.104654172e+00 2.26 -3.388921775e+00 -3.388921775e+00 2.28 -3.646504112e+00 -3.646504112e+00 2.30 -3.879351655e+00 -3.879351655e+00 2.32 -4.089277286e+00 -4.089277286e+00 2.34 -4.277979529e+00 -4.277979529e+00 2.36 -4.447039439e+00 -4.447039439e+00 2.38 -4.597905306e+00 -4.597905306e+00 2.40 -4.731720271e+00 -4.731720271e+00 2.42 -4.849534154e+00 -4.849534154e+00 2.44 -4.952704505e+00 -4.952704505e+00 2.46 -5.042410171e+00 -5.042410171e+00 2.48 -5.119676082e+00 -5.119676082e+00 2.50 -5.185402496e+00 -5.185402496e+00 2.52 -5.240385551e+00 -5.240385551e+00 2.54 -5.285328915e+00 -5.285328915e+00 2.56 -5.320642235e+00 -5.320642235e+00 2.58 -5.346353049e+00 -5.346353049e+00 2.60 -5.362501856e+00 -5.362501856e+00 2.62 -5.369172884e+00 -5.369172884e+00 2.64 -5.366487932e+00 -5.366487932e+00 2.66 -5.354604205e+00 -5.354604205e+00 2.68 -5.333713583e+00 -5.333713583e+00 2.70 -5.304041010e+00 -5.304041010e+00 2.72 -5.265840604e+00 -5.265840604e+00 2.74 -5.219447341e+00 -5.219447341e+00 2.76 -5.165356305e+00 -5.165356305e+00 2.78 -5.103644225e+00 -5.103644225e+00 2.80 -5.034395880e+00 -5.034395880e+00 2.82 -4.957766800e+00 -4.957766800e+00 2.84 -4.873991511e+00 -4.873991511e+00 2.86 -4.783397975e+00 -4.783397975e+00 2.88 -4.686416988e+00 -4.686416988e+00 2.90 -4.583598753e+00 -4.583598753e+00 2.92 -4.475625477e+00 -4.475625477e+00 2.94 -4.363272117e+00 -4.363272117e+00 2.96 -4.247381614e+00 -4.247381614e+00 2.98 -4.128785830e+00 -4.128785830e+00 3.00 -4.008248859e+00 -4.008248859e+00 3.02 -3.886510022e+00 -3.886510022e+00 3.04 -3.764249655e+00 -3.764249655e+00 3.06 -3.642052940e+00 -3.642052940e+00 3.08 -3.520384141e+00 -3.520384141e+00 3.10 -3.399573756e+00 -3.399573756e+00 3.12 -3.279819054e+00 -3.279819054e+00 3.14 -3.161196524e+00 -3.161196524e+00 3.16 -3.043683418e+00 -3.043683418e+00 3.18 -2.927184889e+00 -2.927184889e+00 3.20 -2.811563326e+00 -2.811563326e+00 3.22 -2.696667051e+00 -2.696667051e+00 3.24 -2.582356316e+00 -2.582356316e+00 3.26 -2.468525451e+00 -2.468525451e+00 3.28 -2.355120653e+00 -2.355120653e+00 3.30 -2.242153422e+00 -2.242153422e+00 3.32 -2.129709852e+00 -2.129709852e+00 3.34 -2.017955932e+00 -2.017955932e+00 3.36 -1.907138834e+00 -1.907138834e+00 3.38 -1.797583860e+00 -1.797583860e+00 3.40 -1.689686638e+00 -1.689686638e+00 3.42 -1.583900179e+00 -1.583900179e+00 3.44 -1.480716843e+00 -1.480716843e+00 3.46 -1.380645904e+00 -1.380645904e+00 3.48 -1.284188152e+00 -1.284188152e+00 3.50 -1.191809680e+00 -1.191809680e+00 3.52 -1.103917328e+00 -1.103917328e+00 3.54 -1.020838224e+00 -1.020838224e+00 3.56 -9.428053448e-01 -9.428053448e-01 3.58 -8.699501912e-01 -8.699501912e-01 3.60 -8.023027522e-01 -8.023027522e-01 3.62 -7.397980218e-01 -7.397980218e-01 3.64 -6.822877151e-01 -6.822877151e-01 3.66 -6.295554784e-01 -6.295554784e-01 3.68 -5.813338407e-01 -5.813338407e-01 3.70 -5.373213357e-01 -5.373213357e-01 3.72 -4.971985291e-01 -4.971985291e-01 3.74 -4.606420475e-01 -4.606420475e-01 3.76 -4.273360380e-01 -4.273360380e-01 3.78 -3.969807812e-01 -3.969807812e-01 3.80 -3.692984170e-01 -3.692984170e-01 3.82 -3.440359407e-01 -3.440359407e-01 3.84 -3.209658007e-01 -3.209658007e-01 3.86 -2.998845765e-01 -2.998845765e-01 3.88 -2.806103218e-01 -2.806103218e-01 3.90 -2.629792074e-01 -2.629792074e-01 3.92 -2.468420617e-01 -2.468420617e-01 3.94 -2.320612880e-01 -2.320612880e-01 3.96 -2.185084649e-01 -2.185084649e-01 3.98 -2.060627400e-01 -2.060627400e-01 4.00 -1.946099582e-01 -1.946099582e-01 4.02 -1.840423625e-01 -1.840423625e-01 4.04 -1.742586521e-01 -1.742586521e-01 4.06 -1.651641204e-01 -1.651641204e-01 4.08 -1.566709462e-01 -1.566709462e-01 4.10 -1.486986137e-01 -1.486986137e-01 4.12 -1.411736280e-01 -1.411736280e-01 4.14 -1.340292608e-01 -1.340292608e-01 4.16 -1.272056387e-01 -1.272056387e-01 4.18 -1.206502679e-01 -1.206502679e-01 4.20 -1.143170611e-01 -1.143170611e-01 4.22 -1.081663648e-01 -1.081663648e-01 4.24 -1.021650515e-01 -1.021650515e-01 4.26 -9.628665917e-02 -9.628665917e-02 4.28 -9.051156808e-02 -9.051156808e-02 4.30 -8.482717716e-02 -8.482717716e-02 4.32 -7.922801816e-02 -7.922801816e-02 4.34 -7.371572670e-02 -7.371572670e-02 4.36 -6.829878404e-02 -6.829878404e-02 4.38 -6.299195194e-02 -6.299195194e-02 4.40 -5.781534946e-02 -5.781534946e-02 4.42 -5.279316417e-02 -5.279316417e-02 4.44 -4.795204318e-02 -4.795204318e-02 4.46 -4.331928093e-02 -4.331928093e-02 4.48 -3.892093696e-02 -3.892093696e-02 4.50 -3.478006760e-02 -3.478006760e-02 4.52 -3.091524716e-02 -3.091524716e-02 4.54 -2.733949235e-02 -2.733949235e-02 4.56 -2.405970727e-02 -2.405970727e-02 4.58 -2.107662173e-02 -2.107662173e-02 4.60 -1.838517029e-02 -1.838517029e-02 4.62 -1.597500134e-02 -1.597500134e-02 4.64 -1.383158200e-02 -1.383158200e-02 4.66 -1.193796594e-02 -1.193796594e-02 4.68 -1.027503425e-02 -1.027503425e-02 4.70 -8.822483011e-03 -8.822483011e-03 4.72 -7.559692504e-03 -7.559692504e-03 4.74 -6.466418759e-03 -6.466418759e-03 4.76 -5.523307634e-03 -5.523307634e-03 4.78 -4.712246698e-03 -4.712246698e-03 4.80 -4.016578703e-03 -4.016578703e-03 4.82 -3.421203809e-03 -3.421203809e-03 4.84 -2.912596666e-03 -2.912596666e-03 4.86 -2.478762731e-03 -2.478762731e-03 4.88 -2.109153484e-03 -2.109153484e-03 4.90 -1.794556742e-03 -1.794556742e-03 4.92 -1.526974296e-03 -1.526974296e-03 4.94 -1.299495785e-03 -1.299495785e-03 4.96 -1.106174978e-03 -1.106174978e-03 4.98 -9.419124996e-04 -9.419124996e-04 5.00 -8.023473743e-04 -8.023473743e-04 5.02 -6.837585901e-04 -6.837585901e-04 5.04 -5.829770416e-04 -5.829770416e-04 5.06 -4.973076535e-04 -4.973076535e-04 5.08 -4.244611342e-04 -4.244611342e-04 5.10 -3.624946086e-04 -3.624946086e-04 5.12 -3.097602818e-04 -3.097602818e-04 5.14 -2.648612638e-04 -2.648612638e-04 5.16 -2.266137052e-04 -2.266137052e-04 5.18 -1.940144492e-04 -1.940144492e-04 5.20 -1.662134655e-04 -1.662134655e-04 5.22 -1.424904110e-04 -1.424904110e-04 5.24 -1.222347324e-04 -1.222347324e-04 5.26 -1.049287977e-04 -1.049287977e-04 5.28 -9.013361044e-05 -9.013361044e-05 5.30 -7.747672047e-05 -7.747672047e-05 5.32 -6.664199959e-05 -6.664199959e-05 5.34 -5.736099719e-05 -5.736099719e-05 5.36 -4.940563362e-05 -4.940563362e-05 5.38 -4.258202468e-05 -4.258202468e-05 5.40 -3.672526197e-05 -3.672526197e-05 5.42 -3.169500072e-05 -3.169500072e-05 5.44 -2.737172931e-05 -2.737172931e-05 5.46 -2.365361426e-05 -2.365361426e-05 5.48 -2.045383111e-05 -2.045383111e-05 5.50 -1.769830532e-05 -1.769830532e-05 5.52 -1.532379956e-05 -1.532379956e-05 5.54 -1.327629336e-05 -1.327629336e-05 5.56 -1.150960977e-05 -1.150960977e-05 5.58 -9.984250825e-06 -9.984250825e-06 5.60 -8.666409440e-06 -8.666409440e-06 5.62 -7.527130575e-06 -7.527130575e-06 5.64 -6.541598683e-06 -6.541598683e-06 5.66 -5.688532066e-06 -5.688532066e-06 5.68 -4.949667789e-06 -4.949667789e-06 5.70 -4.309323331e-06 -4.309323331e-06 5.72 -3.754023322e-06 -3.754023322e-06 5.74 -3.272181485e-06 -3.272181485e-06 5.76 -2.853829454e-06 -2.853829454e-06 5.78 -2.490385415e-06 -2.490385415e-06 5.80 -2.174456588e-06 -2.174456588e-06 5.82 -1.899670500e-06 -1.899670500e-06 5.84 -1.660530757e-06 -1.660530757e-06 5.86 -1.452293678e-06 -1.452293678e-06 5.88 -1.270862705e-06 -1.270862705e-06 5.90 -1.112697976e-06 -1.112697976e-06 5.92 -9.747388327e-07 -9.747388327e-07 5.94 -8.543373618e-07 -8.543373618e-07 5.96 -7.492013782e-07 -7.492013782e-07 5.98 -6.573454672e-07 -6.573454672e-07 6.00 -5.770489252e-07 -5.770489252e-07