# 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 = Au2NiW # 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 3.305333436e+02 3.305333436e+02 1.30 3.059989299e+02 3.059989299e+02 1.32 2.832937798e+02 2.832937798e+02 1.34 2.622701777e+02 2.622701777e+02 1.36 2.427969229e+02 2.427969229e+02 1.38 2.247562127e+02 2.247562127e+02 1.40 2.080409639e+02 2.080409639e+02 1.42 1.925522197e+02 1.925522197e+02 1.44 1.781971045e+02 1.781971045e+02 1.46 1.648878784e+02 1.648878784e+02 1.48 1.525421099e+02 1.525421099e+02 1.50 1.410834927e+02 1.410834927e+02 1.52 1.304424499e+02 1.304424499e+02 1.54 1.205558791e+02 1.205558791e+02 1.56 1.113662323e+02 1.113662323e+02 1.58 1.028205630e+02 1.028205630e+02 1.60 9.486988038e+01 9.486988038e+01 1.62 8.746875901e+01 8.746875901e+01 1.64 8.057503136e+01 8.057503136e+01 1.66 7.414950817e+01 7.414950817e+01 1.68 6.815583922e+01 6.815583922e+01 1.70 6.256062305e+01 6.256062305e+01 1.72 5.733371033e+01 5.733371033e+01 1.74 5.244852696e+01 5.244852696e+01 1.76 4.788223331e+01 4.788223331e+01 1.78 4.361582656e+01 4.361582656e+01 1.80 3.963342660e+01 3.963342660e+01 1.82 3.592749114e+01 3.592749114e+01 1.84 3.250613381e+01 3.250613381e+01 1.86 2.935390853e+01 2.935390853e+01 1.88 2.645321016e+01 2.645321016e+01 1.90 2.378645531e+01 2.378645531e+01 1.92 2.133636830e+01 2.133636830e+01 1.94 1.908623959e+01 1.908623959e+01 1.96 1.702010110e+01 1.702010110e+01 1.98 1.512284004e+01 1.512284004e+01 2.00 1.338029531e+01 1.338029531e+01 2.02 1.177934669e+01 1.177934669e+01 2.04 1.030796500e+01 1.030796500e+01 2.06 8.955191683e+00 8.955191683e+00 2.08 7.711053700e+00 7.711053700e+00 2.10 6.566453845e+00 6.566453845e+00 2.12 5.513078415e+00 5.513078415e+00 2.14 4.543340639e+00 4.543340639e+00 2.16 3.650351943e+00 3.650351943e+00 2.18 2.827900300e+00 2.827900300e+00 2.20 2.070418137e+00 2.070418137e+00 2.22 1.372934096e+00 1.372934096e+00 2.24 7.310136898e-01 7.310136898e-01 2.26 1.406973911e-01 1.406973911e-01 2.28 -4.015588294e-01 -4.015588294e-01 2.30 -8.989411457e-01 -8.989411457e-01 2.32 -1.354336606e+00 -1.354336606e+00 2.34 -1.770393000e+00 -1.770393000e+00 2.36 -2.149515066e+00 -2.149515066e+00 2.38 -2.494011223e+00 -2.494011223e+00 2.40 -2.806199812e+00 -2.806199812e+00 2.42 -3.088276666e+00 -3.088276666e+00 2.44 -3.342320641e+00 -3.342320641e+00 2.46 -3.570295868e+00 -3.570295868e+00 2.48 -3.774055677e+00 -3.774055677e+00 2.50 -3.955346816e+00 -3.955346816e+00 2.52 -4.115667203e+00 -4.115667203e+00 2.54 -4.256262371e+00 -4.256262371e+00 2.56 -4.378368507e+00 -4.378368507e+00 2.58 -4.483222822e+00 -4.483222822e+00 2.60 -4.572051564e+00 -4.572051564e+00 2.62 -4.646052501e+00 -4.646052501e+00 2.64 -4.706373686e+00 -4.706373686e+00 2.66 -4.754093656e+00 -4.754093656e+00 2.68 -4.790206159e+00 -4.790206159e+00 2.70 -4.815616801e+00 -4.815616801e+00 2.72 -4.831151088e+00 -4.831151088e+00 2.74 -4.837564094e+00 -4.837564094e+00 2.76 -4.835550647e+00 -4.835550647e+00 2.78 -4.825753092e+00 -4.825753092e+00 2.80 -4.808721750e+00 -4.808721750e+00 2.82 -4.784875712e+00 -4.784875712e+00 2.84 -4.754490056e+00 -4.754490056e+00 2.86 -4.717678491e+00 -4.717678491e+00 2.88 -4.674602067e+00 -4.674602067e+00 2.90 -4.625467650e+00 -4.625467650e+00 2.92 -4.570528750e+00 -4.570528750e+00 2.94 -4.510087643e+00 -4.510087643e+00 2.96 -4.444497223e+00 -4.444497223e+00 2.98 -4.374155928e+00 -4.374155928e+00 3.00 -4.299494688e+00 -4.299494688e+00 3.02 -4.220983140e+00 -4.220983140e+00 3.04 -4.139119587e+00 -4.139119587e+00 3.06 -4.054412892e+00 -4.054412892e+00 3.08 -3.967361727e+00 -3.967361727e+00 3.10 -3.878433722e+00 -3.878433722e+00 3.12 -3.788047365e+00 -3.788047365e+00 3.14 -3.696559178e+00 -3.696559178e+00 3.16 -3.604257599e+00 -3.604257599e+00 3.18 -3.511363797e+00 -3.511363797e+00 3.20 -3.418038423e+00 -3.418038423e+00 3.22 -3.324392634e+00 -3.324392634e+00 3.24 -3.230501612e+00 -3.230501612e+00 3.26 -3.136418975e+00 -3.136418975e+00 3.28 -3.042190937e+00 -3.042190937e+00 3.30 -2.947869415e+00 -2.947869415e+00 3.32 -2.853523573e+00 -2.853523573e+00 3.34 -2.759249350e+00 -2.759249350e+00 3.36 -2.665176586e+00 -2.665176586e+00 3.38 -2.571473299e+00 -2.571473299e+00 3.40 -2.478346710e+00 -2.478346710e+00 3.42 -2.386040723e+00 -2.386040723e+00 3.44 -2.294829824e+00 -2.294829824e+00 3.46 -2.205009694e+00 -2.205009694e+00 3.48 -2.116885212e+00 -2.116885212e+00 3.50 -2.030756912e+00 -2.030756912e+00 3.52 -1.946907160e+00 -1.946907160e+00 3.54 -1.865587402e+00 -1.865587402e+00 3.56 -1.787007672e+00 -1.787007672e+00 3.58 -1.711329233e+00 -1.711329233e+00 3.60 -1.638660785e+00 -1.638660785e+00 3.62 -1.569058245e+00 -1.569058245e+00 3.64 -1.502527694e+00 -1.502527694e+00 3.66 -1.439030835e+00 -1.439030835e+00 3.68 -1.378492192e+00 -1.378492192e+00 3.70 -1.320807253e+00 -1.320807253e+00 3.72 -1.265850860e+00 -1.265850860e+00 3.74 -1.213485282e+00 -1.213485282e+00 3.76 -1.163567526e+00 -1.163567526e+00 3.78 -1.115955571e+00 -1.115955571e+00 3.80 -1.070513300e+00 -1.070513300e+00 3.82 -1.027113989e+00 -1.027113989e+00 3.84 -9.856422713e-01 -9.856422713e-01 3.86 -9.459946132e-01 -9.459946132e-01 3.88 -9.080784518e-01 -9.080784518e-01 3.90 -8.718102804e-01 -8.718102804e-01 3.92 -8.371130905e-01 -8.371130905e-01 3.94 -8.039136457e-01 -8.039136457e-01 3.96 -7.721400351e-01 -7.721400351e-01 3.98 -7.417198664e-01 -7.417198664e-01 4.00 -7.125792805e-01 -7.125792805e-01 4.02 -6.846428008e-01 -6.846428008e-01 4.04 -6.578338877e-01 -6.578338877e-01 4.06 -6.320759851e-01 -6.320759851e-01 4.08 -6.072938306e-01 -6.072938306e-01 4.10 -5.834148285e-01 -5.834148285e-01 4.12 -5.603703581e-01 -5.603703581e-01 4.14 -5.380968997e-01 -5.380968997e-01 4.16 -5.165369845e-01 -5.165369845e-01 4.18 -4.956399202e-01 -4.956399202e-01 4.20 -4.753623009e-01 -4.753623009e-01 4.22 -4.556682915e-01 -4.556682915e-01 4.24 -4.365296722e-01 -4.365296722e-01 4.26 -4.179256304e-01 -4.179256304e-01 4.28 -3.998422913e-01 -3.998422913e-01 4.30 -3.822719995e-01 -3.822719995e-01 4.32 -3.652123894e-01 -3.652123894e-01 4.34 -3.486653047e-01 -3.486653047e-01 4.36 -3.326356469e-01 -3.326356469e-01 4.38 -3.171302293e-01 -3.171302293e-01 4.40 -3.021567002e-01 -3.021567002e-01 4.42 -2.877225656e-01 -2.877225656e-01 4.44 -2.738343119e-01 -2.738343119e-01 4.46 -2.604966083e-01 -2.604966083e-01 4.48 -2.477115660e-01 -2.477115660e-01 4.50 -2.354780457e-01 -2.354780457e-01 4.52 -2.237910390e-01 -2.237910390e-01 4.54 -2.126411712e-01 -2.126411712e-01 4.56 -2.020143937e-01 -2.020143937e-01 4.58 -1.918919273e-01 -1.918919273e-01 4.60 -1.822504880e-01 -1.822504880e-01 4.62 -1.730628037e-01 -1.730628037e-01 4.64 -1.642983812e-01 -1.642983812e-01 4.66 -1.559244499e-01 -1.559244499e-01 4.68 -1.479065855e-01 -1.479065855e-01 4.70 -1.402108608e-01 -1.402108608e-01 4.72 -1.328044859e-01 -1.328044859e-01 4.74 -1.256564173e-01 -1.256564173e-01 4.76 -1.187383057e-01 -1.187383057e-01 4.78 -1.120252884e-01 -1.120252884e-01 4.80 -1.054966247e-01 -1.054966247e-01 4.82 -9.913617811e-02 -9.913617811e-02 4.84 -9.293272783e-02 -9.293272783e-02 4.86 -8.688011863e-02 -8.688011863e-02 4.88 -8.097721922e-02 -8.097721922e-02 4.90 -7.522768000e-02 -7.522768000e-02 4.92 -6.963947783e-02 -6.963947783e-02 4.94 -6.422424774e-02 -6.422424774e-02 4.96 -5.899641806e-02 -5.899641806e-02 4.98 -5.397218590e-02 -5.397218590e-02 5.00 -4.916839084e-02 -4.916839084e-02 5.02 -4.460136111e-02 -4.460136111e-02 5.04 -4.028581611e-02 -4.028581611e-02 5.06 -3.623390707e-02 -3.623390707e-02 5.08 -3.245446517e-02 -3.245446517e-02 5.10 -2.895250496e-02 -2.895250496e-02 5.12 -2.572900069e-02 -2.572900069e-02 5.14 -2.278092902e-02 -2.278092902e-02 5.16 -2.010154493e-02 -2.010154493e-02 5.18 -1.768083738e-02 -1.768083738e-02 5.20 -1.550607692e-02 -1.550607692e-02 5.22 -1.356214679e-02 -1.356214679e-02 5.24 -1.183304057e-02 -1.183304057e-02 5.26 -1.030201278e-02 -1.030201278e-02 5.28 -8.951945550e-03 -8.951945550e-03 5.30 -7.765839996e-03 -7.765839996e-03 5.32 -6.727204065e-03 -6.727204065e-03 5.34 -5.820340603e-03 -5.820340603e-03 5.36 -5.030545384e-03 -5.030545384e-03 5.38 -4.344227970e-03 -4.344227970e-03 5.40 -3.748969498e-03 -3.748969498e-03 5.42 -3.233531154e-03 -3.233531154e-03 5.44 -2.787825935e-03 -2.787825935e-03 5.46 -2.402864552e-03 -2.402864552e-03 5.48 -2.070684452e-03 -2.070684452e-03 5.50 -1.784269119e-03 -1.784269119e-03 5.52 -1.537463114e-03 -1.537463114e-03 5.54 -1.324886873e-03 -1.324886873e-03 5.56 -1.141854109e-03 -1.141854109e-03 5.58 -9.842936691e-04 -9.842936691e-04 5.60 -8.486770065e-04 -8.486770065e-04 5.62 -7.319518357e-04 -7.319518357e-04 5.64 -6.314821619e-04 -6.314821619e-04 5.66 -5.449945851e-04 -5.449945851e-04 5.68 -4.705305975e-04 -4.705305975e-04 5.70 -4.064044793e-04 -4.064044793e-04 5.72 -3.511663335e-04 -3.511663335e-04 5.74 -3.035697790e-04 -3.035697790e-04 5.76 -2.625438184e-04 -2.625438184e-04 5.78 -2.271684185e-04 -2.271684185e-04 5.80 -1.966533688e-04 -1.966533688e-04 5.82 -1.703200165e-04 -1.703200165e-04 5.84 -1.475855168e-04 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