# 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 = CoPd2W # 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 3.295147779e+02 3.295147779e+02 1.30 3.049965004e+02 3.049965004e+02 1.32 2.823006866e+02 2.823006866e+02 1.34 2.612813090e+02 2.612813090e+02 1.36 2.418081805e+02 2.418081805e+02 1.38 2.237635679e+02 2.237635679e+02 1.40 2.070394713e+02 2.070394713e+02 1.42 1.915355137e+02 1.915355137e+02 1.44 1.771579542e+02 1.771579542e+02 1.46 1.638197790e+02 1.638197790e+02 1.48 1.514407573e+02 1.514407573e+02 1.50 1.399468106e+02 1.399468106e+02 1.52 1.292692328e+02 1.292692328e+02 1.54 1.193443541e+02 1.193443541e+02 1.56 1.101134913e+02 1.101134913e+02 1.58 1.015227965e+02 1.015227965e+02 1.60 9.352295720e+01 9.352295720e+01 1.62 8.606894375e+01 8.606894375e+01 1.64 7.911985574e+01 7.911985574e+01 1.66 7.263869403e+01 7.263869403e+01 1.68 6.659191764e+01 6.659191764e+01 1.70 6.094887460e+01 6.094887460e+01 1.72 5.568158812e+01 5.568158812e+01 1.74 5.076460646e+01 5.076460646e+01 1.76 4.617428962e+01 4.617428962e+01 1.78 4.188975348e+01 4.188975348e+01 1.80 3.791246138e+01 3.791246138e+01 1.82 3.424548406e+01 3.424548406e+01 1.84 3.086911807e+01 3.086911807e+01 1.86 2.776427715e+01 2.776427715e+01 1.88 2.491206850e+01 2.491206850e+01 1.90 2.229371109e+01 2.229371109e+01 1.92 1.989080159e+01 1.989080159e+01 1.94 1.768576137e+01 1.768576137e+01 1.96 1.566224129e+01 1.566224129e+01 1.98 1.380532170e+01 1.380532170e+01 2.00 1.210148043e+01 1.210148043e+01 2.02 1.053841513e+01 1.053841513e+01 2.04 9.104832354e+00 9.104832354e+00 2.06 7.790272030e+00 7.790272030e+00 2.08 6.584986535e+00 6.584986535e+00 2.10 5.479872689e+00 5.479872689e+00 2.12 4.466451940e+00 4.466451940e+00 2.14 3.536889717e+00 3.536889717e+00 2.16 2.684035628e+00 2.684035628e+00 2.18 1.901459365e+00 1.901459365e+00 2.20 1.183459197e+00 1.183459197e+00 2.22 5.250308657e-01 5.250308657e-01 2.24 -7.820098660e-02 -7.820098660e-02 2.26 -6.300758443e-01 -6.300758443e-01 2.28 -1.133968605e+00 -1.133968605e+00 2.30 -1.592866793e+00 -1.592866793e+00 2.32 -2.009699453e+00 -2.009699453e+00 2.34 -2.387196125e+00 -2.387196125e+00 2.36 -2.727925686e+00 -2.727925686e+00 2.38 -3.034344432e+00 -3.034344432e+00 2.40 -3.308829255e+00 -3.308829255e+00 2.42 -3.553685899e+00 -3.553685899e+00 2.44 -3.770946034e+00 -3.770946034e+00 2.46 -3.962447817e+00 -3.962447817e+00 2.48 -4.130052780e+00 -4.130052780e+00 2.50 -4.275614832e+00 -4.275614832e+00 2.52 -4.400933773e+00 -4.400933773e+00 2.54 -4.507708024e+00 -4.507708024e+00 2.56 -4.597496835e+00 -4.597496835e+00 2.58 -4.671700354e+00 -4.671700354e+00 2.60 -4.731568342e+00 -4.731568342e+00 2.62 -4.778237136e+00 -4.778237136e+00 2.64 -4.812626997e+00 -4.812626997e+00 2.66 -4.835548994e+00 -4.835548994e+00 2.68 -4.847738648e+00 -4.847738648e+00 2.70 -4.849870910e+00 -4.849870910e+00 2.72 -4.842573652e+00 -4.842573652e+00 2.74 -4.826438832e+00 -4.826438832e+00 2.76 -4.802220833e+00 -4.802220833e+00 2.78 -4.770895241e+00 -4.770895241e+00 2.80 -4.732585354e+00 -4.732585354e+00 2.82 -4.687421032e+00 -4.687421032e+00 2.84 -4.635600221e+00 -4.635600221e+00 2.86 -4.577386689e+00 -4.577386689e+00 2.88 -4.513109765e+00 -4.513109765e+00 2.90 -4.443163772e+00 -4.443163772e+00 2.92 -4.368016910e+00 -4.368016910e+00 2.94 -4.288271250e+00 -4.288271250e+00 2.96 -4.204585475e+00 -4.204585475e+00 2.98 -4.117617057e+00 -4.117617057e+00 3.00 -4.028006217e+00 -4.028006217e+00 3.02 -3.936359873e+00 -3.936359873e+00 3.04 -3.843236856e+00 -3.843236856e+00 3.06 -3.749135101e+00 -3.749135101e+00 3.08 -3.654481457e+00 -3.654481457e+00 3.10 -3.559625109e+00 -3.559625109e+00 3.12 -3.464835630e+00 -3.464835630e+00 3.14 -3.370306242e+00 -3.370306242e+00 3.16 -3.276161926e+00 -3.276161926e+00 3.18 -3.182471210e+00 -3.182471210e+00 3.20 -3.089260070e+00 -3.089260070e+00 3.22 -2.996526454e+00 -2.996526454e+00 3.24 -2.904254363e+00 -2.904254363e+00 3.26 -2.812426827e+00 -2.812426827e+00 3.28 -2.721037454e+00 -2.721037454e+00 3.30 -2.630100362e+00 -2.630100362e+00 3.32 -2.539658323e+00 -2.539658323e+00 3.34 -2.449788874e+00 -2.449788874e+00 3.36 -2.360608095e+00 -2.360608095e+00 3.38 -2.272271698e+00 -2.272271698e+00 3.40 -2.184973148e+00 -2.184973148e+00 3.42 -2.098938710e+00 -2.098938710e+00 3.44 -2.014419521e+00 -2.014419521e+00 3.46 -1.931681162e+00 -1.931681162e+00 3.48 -1.850991463e+00 -1.850991463e+00 3.50 -1.772607587e+00 -1.772607587e+00 3.52 -1.696763527e+00 -1.696763527e+00 3.54 -1.623659161e+00 -1.623659161e+00 3.56 -1.553451792e+00 -1.553451792e+00 3.58 -1.486250785e+00 -1.486250785e+00 3.60 -1.422115522e+00 -1.422115522e+00 3.62 -1.361056506e+00 -1.361056506e+00 3.64 -1.303039134e+00 -1.303039134e+00 3.66 -1.247989456e+00 -1.247989456e+00 3.68 -1.195801169e+00 -1.195801169e+00 3.70 -1.146343114e+00 -1.146343114e+00 3.72 -1.099466646e+00 -1.099466646e+00 3.74 -1.055012437e+00 -1.055012437e+00 3.76 -1.012816378e+00 -1.012816378e+00 3.78 -9.727144434e-01 -9.727144434e-01 3.80 -9.345464846e-01 -9.345464846e-01 3.82 -8.981590213e-01 -8.981590213e-01 3.84 -8.634071594e-01 -8.634071594e-01 3.86 -8.301557998e-01 -8.301557998e-01 3.88 -7.982803158e-01 -7.982803158e-01 3.90 -7.676668647e-01 -7.676668647e-01 3.92 -7.382124829e-01 -7.382124829e-01 3.94 -7.098250782e-01 -7.098250782e-01 3.96 -6.824233944e-01 -6.824233944e-01 3.98 -6.559369850e-01 -6.559369850e-01 4.00 -6.303061827e-01 -6.303061827e-01 4.02 -6.054820150e-01 -6.054820150e-01 4.04 -5.814259810e-01 -5.814259810e-01 4.06 -5.581095917e-01 -5.581095917e-01 4.08 -5.355135797e-01 -5.355135797e-01 4.10 -5.136267189e-01 -5.136267189e-01 4.12 -4.924442573e-01 -4.924442573e-01 4.14 -4.719660241e-01 -4.719660241e-01 4.16 -4.521943682e-01 -4.521943682e-01 4.18 -4.331321028e-01 -4.331321028e-01 4.20 -4.147806553e-01 -4.147806553e-01 4.22 -3.971385736e-01 -3.971385736e-01 4.24 -3.802004670e-01 -3.802004670e-01 4.26 -3.639563775e-01 -3.639563775e-01 4.28 -3.483915074e-01 -3.483915074e-01 4.30 -3.334862015e-01 -3.334862015e-01 4.32 -3.192160917e-01 -3.192160917e-01 4.34 -3.055523513e-01 -3.055523513e-01 4.36 -2.924620519e-01 -2.924620519e-01 4.38 -2.799086419e-01 -2.799086419e-01 4.40 -2.678525748e-01 -2.678525748e-01 4.42 -2.562520916e-01 -2.562520916e-01 4.44 -2.450641392e-01 -2.450641392e-01 4.46 -2.342453783e-01 -2.342453783e-01 4.48 -2.237532271e-01 -2.237532271e-01 4.50 -2.135468910e-01 -2.135468910e-01 4.52 -2.035883409e-01 -2.035883409e-01 4.54 -1.938432200e-01 -1.938432200e-01 4.56 -1.842816706e-01 -1.842816706e-01 4.58 -1.748790764e-01 -1.748790764e-01 4.60 -1.656167110e-01 -1.656167110e-01 4.62 -1.564822741e-01 -1.564822741e-01 4.64 -1.474702775e-01 -1.474702775e-01 4.66 -1.385822400e-01 -1.385822400e-01 4.68 -1.298266330e-01 -1.298266330e-01 4.70 -1.212185279e-01 -1.212185279e-01 4.72 -1.127789094e-01 -1.127789094e-01 4.74 -1.045336489e-01 -1.045336489e-01 4.76 -9.651216926e-02 -9.651216926e-02 4.78 -8.874587349e-02 -8.874587349e-02 4.80 -8.126645323e-02 -8.126645323e-02 4.82 -7.410420483e-02 -7.410420483e-02 4.84 -6.728649179e-02 -6.728649179e-02 4.86 -6.083648039e-02 -6.083648039e-02 4.88 -5.477222412e-02 -5.477222412e-02 4.90 -4.910613237e-02 -4.910613237e-02 4.92 -4.384480767e-02 -4.384480767e-02 4.94 -3.898919770e-02 -3.898919770e-02 4.96 -3.453490796e-02 -3.453490796e-02 4.98 -3.047283828e-02 -3.047283828e-02 5.00 -2.678993300e-02 -2.678993300e-02 5.02 -2.346971291e-02 -2.346971291e-02 5.04 -2.049270475e-02 -2.049270475e-02 5.06 -1.783749746e-02 -1.783749746e-02 5.08 -1.548160563e-02 -1.548160563e-02 5.10 -1.340155858e-02 -1.340155858e-02 5.12 -1.157351436e-02 -1.157351436e-02 5.14 -9.973802400e-03 -9.973802400e-03 5.16 -8.579384241e-03 -8.579384241e-03 5.18 -7.368226608e-03 -7.368226608e-03 5.20 -6.319584846e-03 -6.319584846e-03 5.22 -5.414199200e-03 -5.414199200e-03 5.24 -4.634410830e-03 -4.634410830e-03 5.26 -3.964207928e-03 -3.964207928e-03 5.28 -3.389214340e-03 -3.389214340e-03 5.30 -2.896633742e-03 -2.896633742e-03 5.32 -2.475161833e-03 -2.475161833e-03 5.34 -2.114877695e-03 -2.114877695e-03 5.36 -1.807123620e-03 -1.807123620e-03 5.38 -1.544380770e-03 -1.544380770e-03 5.40 -1.320146197e-03 -1.320146197e-03 5.42 -1.128815081e-03 -1.128815081e-03 5.44 -9.655707072e-04 -9.655707072e-04 5.46 -8.262836007e-04 -8.262836007e-04 5.48 -7.074204447e-04 -7.074204447e-04 5.50 -6.059628279e-04 -6.059628279e-04 5.52 -5.193354651e-04 -5.193354651e-04 5.54 -4.453432934e-04 -4.453432934e-04 5.56 -3.821167074e-04 -3.821167074e-04 5.58 -3.280641352e-04 -3.280641352e-04 5.60 -2.818311521e-04 -2.818311521e-04 5.62 -2.422653574e-04 -2.422653574e-04 5.64 -2.083862906e-04 -2.083862906e-04 5.66 -1.793597249e-04 -1.793597249e-04 5.68 -1.544757419e-04 -1.544757419e-04 5.70 -1.331300617e-04 -1.331300617e-04 5.72 -1.148081619e-04 -1.148081619e-04 5.74 -9.907178142e-05 -9.907178142e-05 5.76 -8.554745923e-05 -8.554745923e-05 5.78 -7.391680468e-05 -7.391680468e-05 5.80 -6.390824076e-05 -6.390824076e-05 5.82 -5.528999798e-05 -5.528999798e-05 5.84 -4.786416962e-05 -4.786416962e-05 5.86 -4.146166693e-05 -4.146166693e-05 5.88 -3.593793744e-05 -3.593793744e-05 5.90 -3.116932977e-05 -3.116932977e-05 5.92 -2.705000657e-05 -2.705000657e-05 5.94 -2.348932166e-05 -2.348932166e-05 5.96 -2.040959087e-05 -2.040959087e-05 5.98 -1.774419641e-05 -1.774419641e-05 6.00 -1.543597420e-05 -1.543597420e-05