# 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 = AuPt2Ti # 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 4.042317560e+02 4.042317560e+02 1.30 3.774005838e+02 3.774005838e+02 1.32 3.523604415e+02 3.523604415e+02 1.34 3.289802839e+02 3.289802839e+02 1.36 3.071382003e+02 3.071382003e+02 1.38 2.867199891e+02 2.867199891e+02 1.40 2.676224993e+02 2.676224993e+02 1.42 2.497564018e+02 2.497564018e+02 1.44 2.330425662e+02 2.330425662e+02 1.46 2.174055151e+02 2.174055151e+02 1.48 2.027709819e+02 2.027709819e+02 1.50 1.890675159e+02 1.890675159e+02 1.52 1.762276642e+02 1.762276642e+02 1.54 1.641873332e+02 1.641873332e+02 1.56 1.528849716e+02 1.528849716e+02 1.58 1.422617869e+02 1.422617869e+02 1.60 1.322628583e+02 1.322628583e+02 1.62 1.228384351e+02 1.228384351e+02 1.64 1.139448327e+02 1.139448327e+02 1.66 1.055447884e+02 1.055447884e+02 1.68 9.760743116e+01 9.760743116e+01 1.70 9.010776531e+01 9.010776531e+01 1.72 8.302519723e+01 8.302519723e+01 1.74 7.634092894e+01 7.634092894e+01 1.76 7.003510928e+01 7.003510928e+01 1.78 6.408526194e+01 6.408526194e+01 1.80 5.846704798e+01 5.846704798e+01 1.82 5.316362828e+01 5.316362828e+01 1.84 4.819632301e+01 4.819632301e+01 1.86 4.361930881e+01 4.361930881e+01 1.88 3.940580924e+01 3.940580924e+01 1.90 3.553083589e+01 3.553083589e+01 1.92 3.197153023e+01 3.197153023e+01 1.94 2.870563830e+01 2.870563830e+01 1.96 2.571094164e+01 2.571094164e+01 1.98 2.296549301e+01 2.296549301e+01 2.00 2.044819331e+01 2.044819331e+01 2.02 1.813931493e+01 1.813931493e+01 2.04 1.602080487e+01 1.602080487e+01 2.06 1.407637395e+01 1.407637395e+01 2.08 1.229143641e+01 1.229143641e+01 2.10 1.065295151e+01 1.065295151e+01 2.12 9.149204556e+00 9.149204556e+00 2.14 7.769575089e+00 7.769575089e+00 2.16 6.504346454e+00 6.504346454e+00 2.18 5.344590128e+00 5.344590128e+00 2.20 4.282117584e+00 4.282117584e+00 2.22 3.309463924e+00 3.309463924e+00 2.24 2.419867290e+00 2.419867290e+00 2.26 1.607224340e+00 1.607224340e+00 2.28 8.660206571e-01 8.660206571e-01 2.30 1.912464065e-01 1.912464065e-01 2.32 -4.216880224e-01 -4.216880224e-01 2.34 -9.770259289e-01 -9.770259289e-01 2.36 -1.478722977e+00 -1.478722977e+00 2.38 -1.930493648e+00 -1.930493648e+00 2.40 -2.335851042e+00 -2.335851042e+00 2.42 -2.698143410e+00 -2.698143410e+00 2.44 -3.020585317e+00 -3.020585317e+00 2.46 -3.306278868e+00 -3.306278868e+00 2.48 -3.558222183e+00 -3.558222183e+00 2.50 -3.779306831e+00 -3.779306831e+00 2.52 -3.972307704e+00 -3.972307704e+00 2.54 -4.139866859e+00 -4.139866859e+00 2.56 -4.284470872e+00 -4.284470872e+00 2.58 -4.408422705e+00 -4.408422705e+00 2.60 -4.513955195e+00 -4.513955195e+00 2.62 -4.605045236e+00 -4.605045236e+00 2.64 -4.683432042e+00 -4.683432042e+00 2.66 -4.749844586e+00 -4.749844586e+00 2.68 -4.804920432e+00 -4.804920432e+00 2.70 -4.849220893e+00 -4.849220893e+00 2.72 -4.883286199e+00 -4.883286199e+00 2.74 -4.907545680e+00 -4.907545680e+00 2.76 -4.922376558e+00 -4.922376558e+00 2.78 -4.928141256e+00 -4.928141256e+00 2.80 -4.925192129e+00 -4.925192129e+00 2.82 -4.913876892e+00 -4.913876892e+00 2.84 -4.894547009e+00 -4.894547009e+00 2.86 -4.867569837e+00 -4.867569837e+00 2.88 -4.833345057e+00 -4.833345057e+00 2.90 -4.792357429e+00 -4.792357429e+00 2.92 -4.745057863e+00 -4.745057863e+00 2.94 -4.691935776e+00 -4.691935776e+00 2.96 -4.633589214e+00 -4.633589214e+00 2.98 -4.570708876e+00 -4.570708876e+00 3.00 -4.504046789e+00 -4.504046789e+00 3.02 -4.434372752e+00 -4.434372752e+00 3.04 -4.362425655e+00 -4.362425655e+00 3.06 -4.288868854e+00 -4.288868854e+00 3.08 -4.214256948e+00 -4.214256948e+00 3.10 -4.139016550e+00 -4.139016550e+00 3.12 -4.063449114e+00 -4.063449114e+00 3.14 -3.987747833e+00 -3.987747833e+00 3.16 -3.912019491e+00 -3.912019491e+00 3.18 -3.836309276e+00 -3.836309276e+00 3.20 -3.760623528e+00 -3.760623528e+00 3.22 -3.684948402e+00 -3.684948402e+00 3.24 -3.609263686e+00 -3.609263686e+00 3.26 -3.533552158e+00 -3.533552158e+00 3.28 -3.457805373e+00 -3.457805373e+00 3.30 -3.382026842e+00 -3.382026842e+00 3.32 -3.306233406e+00 -3.306233406e+00 3.34 -3.230455369e+00 -3.230455369e+00 3.36 -3.154735802e+00 -3.154735802e+00 3.38 -3.079129296e+00 -3.079129296e+00 3.40 -3.003700358e+00 -3.003700358e+00 3.42 -2.928521755e+00 -2.928521755e+00 3.44 -2.853672752e+00 -2.853672752e+00 3.46 -2.779256814e+00 -2.779256814e+00 3.48 -2.705458286e+00 -2.705458286e+00 3.50 -2.632465910e+00 -2.632465910e+00 3.52 -2.560448507e+00 -2.560448507e+00 3.54 -2.489555810e+00 -2.489555810e+00 3.56 -2.419918394e+00 -2.419918394e+00 3.58 -2.351646855e+00 -2.351646855e+00 3.60 -2.284830609e+00 -2.284830609e+00 3.62 -2.219536836e+00 -2.219536836e+00 3.64 -2.155810062e+00 -2.155810062e+00 3.66 -2.093672728e+00 -2.093672728e+00 3.68 -2.033126821e+00 -2.033126821e+00 3.70 -1.974156400e+00 -1.974156400e+00 3.72 -1.916730683e+00 -1.916730683e+00 3.74 -1.860807358e+00 -1.860807358e+00 3.76 -1.806335817e+00 -1.806335817e+00 3.78 -1.753260110e+00 -1.753260110e+00 3.80 -1.701521522e+00 -1.701521522e+00 3.82 -1.651060718e+00 -1.651060718e+00 3.84 -1.601819460e+00 -1.601819460e+00 3.86 -1.553741933e+00 -1.553741933e+00 3.88 -1.506775706e+00 -1.506775706e+00 3.90 -1.460872407e+00 -1.460872407e+00 3.92 -1.415988159e+00 -1.415988159e+00 3.94 -1.372083982e+00 -1.372083982e+00 3.96 -1.329125932e+00 -1.329125932e+00 3.98 -1.287085483e+00 -1.287085483e+00 4.00 -1.245939869e+00 -1.245939869e+00 4.02 -1.205672523e+00 -1.205672523e+00 4.04 -1.166273576e+00 -1.166273576e+00 4.06 -1.127740319e+00 -1.127740319e+00 4.08 -1.090077492e+00 -1.090077492e+00 4.10 -1.053297222e+00 -1.053297222e+00 4.12 -1.017418708e+00 -1.017418708e+00 4.14 -9.824667832e-01 -9.824667832e-01 4.16 -9.484703493e-01 -9.484703493e-01 4.18 -9.154599032e-01 -9.154599032e-01 4.20 -8.834646800e-01 -8.834646800e-01 4.22 -8.525096228e-01 -8.525096228e-01 4.24 -8.226125152e-01 -8.226125152e-01 4.26 -7.937816030e-01 -7.937816030e-01 4.28 -7.660139544e-01 -7.660139544e-01 4.30 -7.392946827e-01 -7.392946827e-01 4.32 -7.135970184e-01 -7.135970184e-01 4.34 -6.888830990e-01 -6.888830990e-01 4.36 -6.651052787e-01 -6.651052787e-01 4.38 -6.422077373e-01 -6.422077373e-01 4.40 -6.201281992e-01 -6.201281992e-01 4.42 -5.987996160e-01 -5.987996160e-01 4.44 -5.781517267e-01 -5.781517267e-01 4.46 -5.581124546e-01 -5.581124546e-01 4.48 -5.386091365e-01 -5.386091365e-01 4.50 -5.195696070e-01 -5.195696070e-01 4.52 -5.009231740e-01 -5.009231740e-01 4.54 -4.826015321e-01 -4.826015321e-01 4.56 -4.645396651e-01 -4.645396651e-01 4.58 -4.466767876e-01 -4.466767876e-01 4.60 -4.289573709e-01 -4.289573709e-01 4.62 -4.113322844e-01 -4.113322844e-01 4.64 -3.937600672e-01 -3.937600672e-01 4.66 -3.762083129e-01 -3.762083129e-01 4.68 -3.586551232e-01 -3.586551232e-01 4.70 -3.410905415e-01 -3.410905415e-01 4.72 -3.235178452e-01 -3.235178452e-01 4.74 -3.059545388e-01 -3.059545388e-01 4.76 -2.884328737e-01 -2.884328737e-01 4.78 -2.709997213e-01 -2.709997213e-01 4.80 -2.537156142e-01 -2.537156142e-01 4.82 -2.366531320e-01 -2.366531320e-01 4.84 -2.198939781e-01 -2.198939781e-01 4.86 -2.035257665e-01 -2.035257665e-01 4.88 -1.876380356e-01 -1.876380356e-01 4.90 -1.723180803e-01 -1.723180803e-01 4.92 -1.576468981e-01 -1.576468981e-01 4.94 -1.436955904e-01 -1.436955904e-01 4.96 -1.305224990e-01 -1.305224990e-01 4.98 -1.181712664e-01 -1.181712664e-01 5.00 -1.066698907e-01 -1.066698907e-01 5.02 -9.603073399e-02 -9.603073399e-02 5.04 -8.625135495e-02 -8.625135495e-02 5.06 -7.731598025e-02 -7.731598025e-02 5.08 -6.919740688e-02 -6.919740688e-02 5.10 -6.185913649e-02 -6.185913649e-02 5.12 -5.525756982e-02 -5.525756982e-02 5.14 -4.934412593e-02 -4.934412593e-02 5.16 -4.406718952e-02 -4.406718952e-02 5.18 -3.937382399e-02 -3.937382399e-02 5.20 -3.521121519e-02 -3.521121519e-02 5.22 -3.152784029e-02 -3.152784029e-02 5.24 -2.827436380e-02 -2.827436380e-02 5.26 -2.540422093e-02 -2.540422093e-02 5.28 -2.287395798e-02 -2.287395798e-02 5.30 -2.064389239e-02 -2.064389239e-02 5.32 -1.867787082e-02 -1.867787082e-02 5.34 -1.694349435e-02 -1.694349435e-02 5.36 -1.541163836e-02 -1.541163836e-02 5.38 -1.405631547e-02 -1.405631547e-02 5.40 -1.285448584e-02 -1.285448584e-02 5.42 -1.178583050e-02 -1.178583050e-02 5.44 -1.083250868e-02 -1.083250868e-02 5.46 -9.978913501e-03 -9.978913501e-03 5.48 -9.211436460e-03 -9.211436460e-03 5.50 -8.518246732e-03 -8.518246732e-03 5.52 -7.889089307e-03 -7.889089307e-03 5.54 -7.315102784e-03 -7.315102784e-03 5.56 -6.788658623e-03 -6.788658623e-03 5.58 -6.303223655e-03 -6.303223655e-03 5.60 -5.853235408e-03 -5.853235408e-03 5.62 -5.433995950e-03 -5.433995950e-03 5.64 -5.041579601e-03 -5.041579601e-03 5.66 -4.672751603e-03 -4.672751603e-03 5.68 -4.324894832e-03 -4.324894832e-03 5.70 -3.995941750e-03 -3.995941750e-03 5.72 -3.684309023e-03 -3.684309023e-03 5.74 -3.388832778e-03 -3.388832778e-03 5.76 -3.108703689e-03 -3.108703689e-03 5.78 -2.843807600e-03 -2.843807600e-03 5.80 -2.594022925e-03 -2.594022925e-03 5.82 -2.358969622e-03 -2.358969622e-03 5.84 -2.138389728e-03 -2.138389728e-03 5.86 -1.932093292e-03 -1.932093292e-03 5.88 -1.739910238e-03 -1.739910238e-03 5.90 -1.561649894e-03 -1.561649894e-03 5.92 -1.397069560e-03 -1.397069560e-03 5.94 -1.245852875e-03 -1.245852875e-03 5.96 -1.107598059e-03 -1.107598059e-03 5.98 -9.818153075e-04 -9.818153075e-04 6.00 -8.679320323e-04 -8.679320323e-04