# 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 = Ni2PbW # 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 2.773256195e+02 2.773256195e+02 1.30 2.567479757e+02 2.567479757e+02 1.32 2.376974850e+02 2.376974850e+02 1.34 2.200637478e+02 2.200637478e+02 1.36 2.037459294e+02 2.037459294e+02 1.38 1.886480769e+02 1.886480769e+02 1.40 1.746767222e+02 1.746767222e+02 1.42 1.617415085e+02 1.617415085e+02 1.44 1.497572243e+02 1.497572243e+02 1.46 1.386453773e+02 1.386453773e+02 1.48 1.283347428e+02 1.283347428e+02 1.50 1.187611948e+02 1.187611948e+02 1.52 1.098671841e+02 1.098671841e+02 1.54 1.016009686e+02 1.016009686e+02 1.56 9.391567308e+01 9.391567308e+01 1.58 8.676840700e+01 8.676840700e+01 1.60 8.011970260e+01 8.011970260e+01 1.62 7.393338224e+01 7.393338224e+01 1.64 6.817660829e+01 6.817660829e+01 1.66 6.281979145e+01 6.281979145e+01 1.68 5.783618652e+01 5.783618652e+01 1.70 5.320130137e+01 5.320130137e+01 1.72 4.889270787e+01 4.889270787e+01 1.74 4.488898903e+01 4.488898903e+01 1.76 4.116919935e+01 4.116919935e+01 1.78 3.771800782e+01 3.771800782e+01 1.80 3.451944756e+01 3.451944756e+01 1.82 3.155431063e+01 3.155431063e+01 1.84 2.880471880e+01 2.880471880e+01 1.86 2.625430039e+01 2.625430039e+01 1.88 2.388826323e+01 2.388826323e+01 1.90 2.169331226e+01 2.169331226e+01 1.92 1.965745643e+01 1.965745643e+01 1.94 1.776977787e+01 1.776977787e+01 1.96 1.602021814e+01 1.602021814e+01 1.98 1.439942186e+01 1.439942186e+01 2.00 1.289862232e+01 1.289862232e+01 2.02 1.150955361e+01 1.150955361e+01 2.04 1.022437789e+01 1.022437789e+01 2.06 9.035633837e+00 9.035633837e+00 2.08 7.936212282e+00 7.936212282e+00 2.10 6.919364221e+00 6.919364221e+00 2.12 5.978732388e+00 5.978732388e+00 2.14 5.108394046e+00 5.108394046e+00 2.16 4.302902455e+00 4.302902455e+00 2.18 3.557310313e+00 3.557310313e+00 2.20 2.867162425e+00 2.867162425e+00 2.22 2.228462496e+00 2.228462496e+00 2.24 1.637619728e+00 1.637619728e+00 2.26 1.091388864e+00 1.091388864e+00 2.28 5.868442938e-01 5.868442938e-01 2.30 1.213207192e-01 1.213207192e-01 2.32 -3.078893496e-01 -3.078893496e-01 2.34 -7.033470014e-01 -7.033470014e-01 2.36 -1.067480345e+00 -1.067480345e+00 2.38 -1.402584591e+00 -1.402584591e+00 2.40 -1.710802852e+00 -1.710802852e+00 2.42 -1.994065661e+00 -1.994065661e+00 2.44 -2.253867649e+00 -2.253867649e+00 2.46 -2.491509037e+00 -2.491509037e+00 2.48 -2.708232314e+00 -2.708232314e+00 2.50 -2.905212856e+00 -2.905212856e+00 2.52 -3.083557972e+00 -3.083557972e+00 2.54 -3.244310530e+00 -3.244310530e+00 2.56 -3.388454465e+00 -3.388454465e+00 2.58 -3.516921049e+00 -3.516921049e+00 2.60 -3.630595801e+00 -3.630595801e+00 2.62 -3.730325843e+00 -3.730325843e+00 2.64 -3.816930738e+00 -3.816930738e+00 2.66 -3.891209319e+00 -3.891209319e+00 2.68 -3.953948317e+00 -3.953948317e+00 2.70 -4.005927577e+00 -4.005927577e+00 2.72 -4.047924474e+00 -4.047924474e+00 2.74 -4.080706802e+00 -4.080706802e+00 2.76 -4.105018934e+00 -4.105018934e+00 2.78 -4.121563584e+00 -4.121563584e+00 2.80 -4.130984484e+00 -4.130984484e+00 2.82 -4.133842016e+00 -4.133842016e+00 2.84 -4.130461766e+00 -4.130461766e+00 2.86 -4.121012798e+00 -4.121012798e+00 2.88 -4.105657300e+00 -4.105657300e+00 2.90 -4.084557799e+00 -4.084557799e+00 2.92 -4.057882996e+00 -4.057882996e+00 2.94 -4.025814863e+00 -4.025814863e+00 2.96 -3.988555633e+00 -3.988555633e+00 2.98 -3.946333505e+00 -3.946333505e+00 3.00 -3.899406031e+00 -3.899406031e+00 3.02 -3.848060412e+00 -3.848060412e+00 3.04 -3.792617210e+00 -3.792617210e+00 3.06 -3.733480607e+00 -3.733480607e+00 3.08 -3.670882776e+00 -3.670882776e+00 3.10 -3.605062512e+00 -3.605062512e+00 3.12 -3.536303165e+00 -3.536303165e+00 3.14 -3.464911323e+00 -3.464911323e+00 3.16 -3.391171858e+00 -3.391171858e+00 3.18 -3.315343197e+00 -3.315343197e+00 3.20 -3.237679707e+00 -3.237679707e+00 3.22 -3.158422523e+00 -3.158422523e+00 3.24 -3.077793754e+00 -3.077793754e+00 3.26 -2.995995552e+00 -2.995995552e+00 3.28 -2.913213205e+00 -2.913213205e+00 3.30 -2.829621221e+00 -2.829621221e+00 3.32 -2.745391277e+00 -2.745391277e+00 3.34 -2.660700814e+00 -2.660700814e+00 3.36 -2.575741019e+00 -2.575741019e+00 3.38 -2.490723075e+00 -2.490723075e+00 3.40 -2.405881543e+00 -2.405881543e+00 3.42 -2.321475566e+00 -2.321475566e+00 3.44 -2.237784230e+00 -2.237784230e+00 3.46 -2.155101001e+00 -2.155101001e+00 3.48 -2.073724120e+00 -2.073724120e+00 3.50 -1.993945475e+00 -1.993945475e+00 3.52 -1.916038863e+00 -1.916038863e+00 3.54 -1.840248929e+00 -1.840248929e+00 3.56 -1.766781929e+00 -1.766781929e+00 3.58 -1.695799210e+00 -1.695799210e+00 3.60 -1.627413886e+00 -1.627413886e+00 3.62 -1.561690792e+00 -1.561690792e+00 3.64 -1.498649397e+00 -1.498649397e+00 3.66 -1.438269095e+00 -1.438269095e+00 3.68 -1.380496135e+00 -1.380496135e+00 3.70 -1.325251394e+00 -1.325251394e+00 3.72 -1.272438311e+00 -1.272438311e+00 3.74 -1.221950385e+00 -1.221950385e+00 3.76 -1.173677819e+00 -1.173677819e+00 3.78 -1.127513031e+00 -1.127513031e+00 3.80 -1.083354844e+00 -1.083354844e+00 3.82 -1.041111245e+00 -1.041111245e+00 3.84 -1.000700642e+00 -1.000700642e+00 3.86 -9.620516351e-01 -9.620516351e-01 3.88 -9.251014322e-01 -9.251014322e-01 3.90 -8.897931786e-01 -8.897931786e-01 3.92 -8.560721608e-01 -8.560721608e-01 3.94 -8.238845368e-01 -8.238845368e-01 3.96 -7.931711180e-01 -7.931711180e-01 3.98 -7.638677090e-01 -7.638677090e-01 4.00 -7.359036092e-01 -7.359036092e-01 4.02 -7.092018350e-01 -7.092018350e-01 4.04 -6.836802237e-01 -6.836802237e-01 4.06 -6.592530972e-01 -6.592530972e-01 4.08 -6.358331453e-01 -6.358331453e-01 4.10 -6.133321562e-01 -6.133321562e-01 4.12 -5.916671738e-01 -5.916671738e-01 4.14 -5.707545565e-01 -5.707545565e-01 4.16 -5.505159747e-01 -5.505159747e-01 4.18 -5.308777546e-01 -5.308777546e-01 4.20 -5.117713978e-01 -5.117713978e-01 4.22 -4.931340370e-01 -4.931340370e-01 4.24 -4.749089203e-01 -4.749089203e-01 4.26 -4.570459937e-01 -4.570459937e-01 4.28 -4.395026226e-01 -4.395026226e-01 4.30 -4.222444571e-01 -4.222444571e-01 4.32 -4.052463995e-01 -4.052463995e-01 4.34 -3.884935913e-01 -3.884935913e-01 4.36 -3.719822861e-01 -3.719822861e-01 4.38 -3.557204399e-01 -3.557204399e-01 4.40 -3.397278300e-01 -3.397278300e-01 4.42 -3.240355216e-01 -3.240355216e-01 4.44 -3.086845473e-01 -3.086845473e-01 4.46 -2.937237527e-01 -2.937237527e-01 4.48 -2.792068758e-01 -2.792068758e-01 4.50 -2.651890623e-01 -2.651890623e-01 4.52 -2.517231300e-01 -2.517231300e-01 4.54 -2.388559637e-01 -2.388559637e-01 4.56 -2.266254259e-01 -2.266254259e-01 4.58 -2.150580963e-01 -2.150580963e-01 4.60 -2.041680254e-01 -2.041680254e-01 4.62 -1.939565451e-01 -1.939565451e-01 4.64 -1.844130388e-01 -1.844130388e-01 4.66 -1.755164471e-01 -1.755164471e-01 4.68 -1.672372391e-01 -1.672372391e-01 4.70 -1.595396028e-01 -1.595396028e-01 4.72 -1.523835880e-01 -1.523835880e-01 4.74 -1.457263760e-01 -1.457263760e-01 4.76 -1.395257376e-01 -1.395257376e-01 4.78 -1.337405229e-01 -1.337405229e-01 4.80 -1.283303103e-01 -1.283303103e-01 4.82 -1.232595149e-01 -1.232595149e-01 4.84 -1.184926833e-01 -1.184926833e-01 4.86 -1.139983313e-01 -1.139983313e-01 4.88 -1.097480384e-01 -1.097480384e-01 4.90 -1.057163654e-01 -1.057163654e-01 4.92 -1.018806918e-01 -1.018806918e-01 4.94 -9.822100937e-02 -9.822100937e-02 4.96 -9.471969772e-02 -9.471969772e-02 4.98 -9.136129954e-02 -9.136129954e-02 5.00 -8.813230863e-02 -8.813230863e-02 5.02 -8.502097722e-02 -8.502097722e-02 5.04 -8.201714615e-02 -8.201714615e-02 5.06 -7.911209855e-02 -7.911209855e-02 5.08 -7.629843523e-02 -7.629843523e-02 5.10 -7.356996851e-02 -7.356996851e-02 5.12 -7.092163014e-02 -7.092163014e-02 5.14 -6.834938748e-02 -6.834938748e-02 5.16 -6.585016242e-02 -6.585016242e-02 5.18 -6.342174700e-02 -6.342174700e-02 5.20 -6.106271067e-02 -6.106271067e-02 5.22 -5.877229542e-02 -5.877229542e-02 5.24 -5.655029662e-02 -5.655029662e-02 5.26 -5.439692302e-02 -5.439692302e-02 5.28 -5.231258010e-02 -5.231258010e-02 5.30 -5.029789616e-02 -5.029789616e-02 5.32 -4.835350748e-02 -4.835350748e-02 5.34 -4.647988226e-02 -4.647988226e-02 5.36 -4.467719966e-02 -4.467719966e-02 5.38 -4.294525397e-02 -4.294525397e-02 5.40 -4.128338862e-02 -4.128338862e-02 5.42 -3.969046229e-02 -3.969046229e-02 5.44 -3.816484619e-02 -3.816484619e-02 5.46 -3.670444930e-02 -3.670444930e-02 5.48 -3.530676609e-02 -3.530676609e-02 5.50 -3.396894047e-02 -3.396894047e-02 5.52 -3.268783930e-02 -3.268783930e-02 5.54 -3.146012929e-02 -3.146012929e-02 5.56 -3.028235221e-02 -3.028235221e-02 5.58 -2.915099452e-02 -2.915099452e-02 5.60 -2.806254897e-02 -2.806254897e-02 5.62 -2.701356704e-02 -2.701356704e-02 5.64 -2.600070164e-02 -2.600070164e-02 5.66 -2.502074138e-02 -2.502074138e-02 5.68 -2.407063700e-02 -2.407063700e-02 5.70 -2.314752161e-02 -2.314752161e-02 5.72 -2.224872618e-02 -2.224872618e-02 5.74 -2.137179185e-02 -2.137179185e-02 5.76 -2.051448023e-02 -2.051448023e-02 5.78 -1.967478281e-02 -1.967478281e-02 5.80 -1.885093028e-02 -1.885093028e-02 5.82 -1.804140202e-02 -1.804140202e-02 5.84 -1.724493609e-02 -1.724493609e-02 5.86 -1.646053914e-02 -1.646053914e-02 5.88 -1.568749591e-02 -1.568749591e-02 5.90 -1.492537725e-02 -1.492537725e-02 5.92 -1.417404546e-02 -1.417404546e-02 5.94 -1.343364172e-02 -1.343364172e-02 5.96 -1.270453193e-02 -1.270453193e-02 5.98 -1.198744405e-02 -1.198744405e-02 6.00 -1.128337954e-02 -1.128337954e-02