# 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 = 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 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 3.912639666e+02 3.912639666e+02 1.30 3.642426328e+02 3.642426328e+02 1.32 3.390923626e+02 3.390923626e+02 1.34 3.156691014e+02 3.156691014e+02 1.36 2.938424002e+02 2.938424002e+02 1.38 2.734922837e+02 2.734922837e+02 1.40 2.545086831e+02 2.545086831e+02 1.42 2.367921740e+02 2.367921740e+02 1.44 2.202535902e+02 2.202535902e+02 1.46 2.048120226e+02 2.048120226e+02 1.48 1.903922755e+02 1.903922755e+02 1.50 1.769227294e+02 1.769227294e+02 1.52 1.643340838e+02 1.643340838e+02 1.54 1.525592814e+02 1.525592814e+02 1.56 1.415345400e+02 1.415345400e+02 1.58 1.312008559e+02 1.312008559e+02 1.60 1.215051801e+02 1.215051801e+02 1.62 1.124007570e+02 1.124007570e+02 1.64 1.038465800e+02 1.038465800e+02 1.66 9.580634828e+01 9.580634828e+01 1.68 8.824746712e+01 8.824746712e+01 1.70 8.114034843e+01 8.114034843e+01 1.72 7.445784126e+01 7.445784126e+01 1.74 6.817450433e+01 6.817450433e+01 1.76 6.227870397e+01 6.227870397e+01 1.78 5.677355974e+01 5.677355974e+01 1.80 5.169209360e+01 5.169209360e+01 1.82 4.700659391e+01 4.700659391e+01 1.84 4.268451888e+01 4.268451888e+01 1.86 3.869704780e+01 3.869704780e+01 1.88 3.501877160e+01 3.501877160e+01 1.90 3.162710938e+01 3.162710938e+01 1.92 2.850166920e+01 2.850166920e+01 1.94 2.562368880e+01 2.562368880e+01 1.96 2.297560155e+01 2.297560155e+01 1.98 2.054073911e+01 2.054073911e+01 2.00 1.830318090e+01 1.830318090e+01 2.02 1.624774226e+01 1.624774226e+01 2.04 1.436005834e+01 1.436005834e+01 2.06 1.262669816e+01 1.262669816e+01 2.08 1.103524741e+01 1.103524741e+01 2.10 9.574325352e+00 9.574325352e+00 2.12 8.233536842e+00 8.233536842e+00 2.14 7.003387033e+00 7.003387033e+00 2.16 5.875191892e+00 5.875191892e+00 2.18 4.841004414e+00 4.841004414e+00 2.20 3.893558991e+00 3.893558991e+00 2.22 3.026226492e+00 3.026226492e+00 2.24 2.232971943e+00 2.232971943e+00 2.26 1.508309928e+00 1.508309928e+00 2.28 8.472557804e-01 8.472557804e-01 2.30 2.452723232e-01 2.452723232e-01 2.32 -3.017867467e-01 -3.017867467e-01 2.34 -7.977344316e-01 -7.977344316e-01 2.36 -1.246105249e+00 -1.246105249e+00 2.38 -1.650202893e+00 -1.650202893e+00 2.40 -2.013136856e+00 -2.013136856e+00 2.42 -2.337846342e+00 -2.337846342e+00 2.44 -2.627113293e+00 -2.627113293e+00 2.46 -2.883569820e+00 -2.883569820e+00 2.48 -3.109706707e+00 -3.109706707e+00 2.50 -3.308176828e+00 -3.308176828e+00 2.52 -3.482480593e+00 -3.482480593e+00 2.54 -3.634534833e+00 -3.634534833e+00 2.56 -3.766034977e+00 -3.766034977e+00 2.58 -3.878658074e+00 -3.878658074e+00 2.60 -3.974035580e+00 -3.974035580e+00 2.62 -4.053719261e+00 -4.053719261e+00 2.64 -4.119147354e+00 -4.119147354e+00 2.66 -4.171618045e+00 -4.171618045e+00 2.68 -4.212275314e+00 -4.212275314e+00 2.70 -4.242108832e+00 -4.242108832e+00 2.72 -4.261966186e+00 -4.261966186e+00 2.74 -4.272573243e+00 -4.272573243e+00 2.76 -4.274672913e+00 -4.274672913e+00 2.78 -4.269155446e+00 -4.269155446e+00 2.80 -4.256324818e+00 -4.256324818e+00 2.82 -4.236405312e+00 -4.236405312e+00 2.84 -4.209656500e+00 -4.209656500e+00 2.86 -4.176379051e+00 -4.176379051e+00 2.88 -4.136922326e+00 -4.136922326e+00 2.90 -4.091692247e+00 -4.091692247e+00 2.92 -4.041157041e+00 -4.041157041e+00 2.94 -3.985855094e+00 -3.985855094e+00 2.96 -3.926402061e+00 -3.926402061e+00 2.98 -3.863447805e+00 -3.863447805e+00 3.00 -3.797647337e+00 -3.797647337e+00 3.02 -3.729633179e+00 -3.729633179e+00 3.04 -3.659988793e+00 -3.659988793e+00 3.06 -3.589227674e+00 -3.589227674e+00 3.08 -3.517780948e+00 -3.517780948e+00 3.10 -3.445994042e+00 -3.445994042e+00 3.12 -3.374131015e+00 -3.374131015e+00 3.14 -3.302384259e+00 -3.302384259e+00 3.16 -3.230887074e+00 -3.230887074e+00 3.18 -3.159727138e+00 -3.159727138e+00 3.20 -3.088959301e+00 -3.088959301e+00 3.22 -3.018616815e+00 -3.018616815e+00 3.24 -2.948720513e+00 -2.948720513e+00 3.26 -2.879292908e+00 -2.879292908e+00 3.28 -2.810408993e+00 -2.810408993e+00 3.30 -2.742157573e+00 -2.742157573e+00 3.32 -2.674615165e+00 -2.674615165e+00 3.34 -2.607850375e+00 -2.607850375e+00 3.36 -2.541926780e+00 -2.541926780e+00 3.38 -2.476904531e+00 -2.476904531e+00 3.40 -2.412840983e+00 -2.412840983e+00 3.42 -2.349790646e+00 -2.349790646e+00 3.44 -2.287804676e+00 -2.287804676e+00 3.46 -2.226930120e+00 -2.226930120e+00 3.48 -2.167209071e+00 -2.167209071e+00 3.50 -2.108677864e+00 -2.108677864e+00 3.52 -2.051366387e+00 -2.051366387e+00 3.54 -1.995297553e+00 -1.995297553e+00 3.56 -1.940486959e+00 -1.940486959e+00 3.58 -1.886942708e+00 -1.886942708e+00 3.60 -1.834665401e+00 -1.834665401e+00 3.62 -1.783648266e+00 -1.783648266e+00 3.64 -1.733877417e+00 -1.733877417e+00 3.66 -1.685332247e+00 -1.685332247e+00 3.68 -1.637985924e+00 -1.637985924e+00 3.70 -1.591806021e+00 -1.591806021e+00 3.72 -1.546755254e+00 -1.546755254e+00 3.74 -1.502792328e+00 -1.502792328e+00 3.76 -1.459872875e+00 -1.459872875e+00 3.78 -1.417950442e+00 -1.417950442e+00 3.80 -1.376977492e+00 -1.376977492e+00 3.82 -1.336906382e+00 -1.336906382e+00 3.84 -1.297690255e+00 -1.297690255e+00 3.86 -1.259283815e+00 -1.259283815e+00 3.88 -1.221643971e+00 -1.221643971e+00 3.90 -1.184730337e+00 -1.184730337e+00 3.92 -1.148505618e+00 -1.148505618e+00 3.94 -1.112935926e+00 -1.112935926e+00 3.96 -1.077991050e+00 -1.077991050e+00 3.98 -1.043644782e+00 -1.043644782e+00 4.00 -1.009875296e+00 -1.009875296e+00 4.02 -9.766656382e-01 -9.766656382e-01 4.04 -9.440042975e-01 -9.440042975e-01 4.06 -9.118858432e-01 -9.118858432e-01 4.08 -8.803115320e-01 -8.803115320e-01 4.10 -8.492897863e-01 -8.492897863e-01 4.12 -8.188364419e-01 -8.188364419e-01 4.14 -7.889745687e-01 -7.889745687e-01 4.16 -7.597338544e-01 -7.597338544e-01 4.18 -7.311494177e-01 -7.311494177e-01 4.20 -7.032600872e-01 -7.032600872e-01 4.22 -6.761062222e-01 -6.761062222e-01 4.24 -6.497272316e-01 -6.497272316e-01 4.26 -6.241589960e-01 -6.241589960e-01 4.28 -5.994314170e-01 -5.994314170e-01 4.30 -5.755663007e-01 -5.755663007e-01 4.32 -5.525757313e-01 -5.525757313e-01 4.34 -5.304610281e-01 -5.304610281e-01 4.36 -5.092123128e-01 -5.092123128e-01 4.38 -4.888086614e-01 -4.888086614e-01 4.40 -4.692187738e-01 -4.692187738e-01 4.42 -4.504020737e-01 -4.504020737e-01 4.44 -4.323101355e-01 -4.323101355e-01 4.46 -4.148883340e-01 -4.148883340e-01 4.48 -3.980776169e-01 -3.980776169e-01 4.50 -3.818163099e-01 -3.818163099e-01 4.52 -3.660418873e-01 -3.660418873e-01 4.54 -3.506926566e-01 -3.506926566e-01 4.56 -3.357093333e-01 -3.357093333e-01 4.58 -3.210364953e-01 -3.210364953e-01 4.60 -3.066239219e-01 -3.066239219e-01 4.62 -2.924278204e-01 -2.924278204e-01 4.64 -2.784119407e-01 -2.784119407e-01 4.66 -2.645485649e-01 -2.645485649e-01 4.68 -2.508193401e-01 -2.508193401e-01 4.70 -2.372159073e-01 -2.372159073e-01 4.72 -2.237402660e-01 -2.237402660e-01 4.74 -2.104048049e-01 -2.104048049e-01 4.76 -1.972319385e-01 -1.972319385e-01 4.78 -1.842533017e-01 -1.842533017e-01 4.80 -1.715084855e-01 -1.715084855e-01 4.82 -1.590433474e-01 -1.590433474e-01 4.84 -1.469079374e-01 -1.469079374e-01 4.86 -1.351541855e-01 -1.351541855e-01 4.88 -1.238334684e-01 -1.238334684e-01 4.90 -1.129942312e-01 -1.129942312e-01 4.92 -1.026798239e-01 -1.026798239e-01 4.94 -9.292669677e-02 -9.292669677e-02 4.96 -8.376305783e-02 -8.376305783e-02 4.98 -7.520804915e-02 -7.520804915e-02 5.00 -6.727144669e-02 -6.727144669e-02 5.02 -5.995384478e-02 -5.995384478e-02 5.04 -5.324724817e-02 -5.324724817e-02 5.06 -4.713597965e-02 -4.713597965e-02 5.08 -4.159780750e-02 -4.159780750e-02 5.10 -3.660518519e-02 -3.660518519e-02 5.12 -3.212653504e-02 -3.212653504e-02 5.14 -2.812748633e-02 -2.812748633e-02 5.16 -2.457201298e-02 -2.457201298e-02 5.18 -2.142344368e-02 -2.142344368e-02 5.20 -1.864498189e-02 -1.864498189e-02 5.22 -1.620178993e-02 -1.620178993e-02 5.24 -1.405996494e-02 -1.405996494e-02 5.26 -1.218727429e-02 -1.218727429e-02 5.28 -1.055373173e-02 -1.055373173e-02 5.30 -9.131740959e-03 -9.131740959e-03 5.32 -7.896142332e-03 -7.896142332e-03 5.34 -6.824185030e-03 -6.824185030e-03 5.36 -5.895443811e-03 -5.895443811e-03 5.38 -5.091696672e-03 -5.091696672e-03 5.40 -4.396776995e-03 -4.396776995e-03 5.42 -3.796411137e-03 -3.796411137e-03 5.44 -3.278050087e-03 -3.278050087e-03 5.46 -2.830701714e-03 -2.830701714e-03 5.48 -2.444768346e-03 -2.444768346e-03 5.50 -2.111892933e-03 -2.111892933e-03 5.52 -1.824815848e-03 -1.824815848e-03 5.54 -1.577243437e-03 -1.577243437e-03 5.56 -1.363728737e-03 -1.363728737e-03 5.58 -1.179564256e-03 -1.179564256e-03 5.60 -1.020686344e-03 -1.020686344e-03 5.62 -8.835904808e-04 -8.835904808e-04 5.64 -7.652566440e-04 -7.652566440e-04 5.66 -6.630838631e-04 -6.630838631e-04 5.68 -5.748330625e-04 -5.748330625e-04 5.70 -4.985773055e-04 -4.985773055e-04 5.72 -4.326586034e-04 -4.326586034e-04 5.74 -3.756505115e-04 -3.756505115e-04 5.76 -3.263257993e-04 -3.263257993e-04 5.78 -2.836285532e-04 -2.836285532e-04 5.80 -2.466501343e-04 -2.466501343e-04 5.82 -2.146084830e-04 -2.146084830e-04 5.84 -1.868303175e-04 -1.868303175e-04 5.86 -1.627358344e-04 -1.627358344e-04 5.88 -1.418255645e-04 -1.418255645e-04 5.90 -1.236690853e-04 -1.236690853e-04 5.92 -1.078953306e-04 -1.078953306e-04 5.94 -9.418427110e-05 -9.418427110e-05 5.96 -8.225977400e-05 -8.225977400e-05 5.98 -7.188347335e-05 -7.188347335e-05 6.00 -6.284950766e-05 -6.284950766e-05