# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2023--Daw-M-S-Chandross-M--Cu-Ag-Au-Ni-Pd-Pt # implementation = 2023--Daw-M-S--Cu-Ag-Au-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNiPt2 # 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 2026-08-31 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 6.363996093e+06 6.363996093e+06 0.88 5.811873988e+06 5.811873988e+06 0.90 5.308841586e+06 5.308841586e+06 0.92 4.849709261e+06 4.849709261e+06 0.94 4.429877184e+06 4.429877184e+06 0.96 4.045306018e+06 4.045306018e+06 0.98 3.692438410e+06 3.692438410e+06 1.00 3.368174679e+06 3.368174679e+06 1.02 3.069745547e+06 3.069745547e+06 1.04 2.794703749e+06 2.794703749e+06 1.06 2.540858854e+06 2.540858854e+06 1.08 2.306273948e+06 2.306273948e+06 1.10 2.089232395e+06 2.089232395e+06 1.12 1.888181254e+06 1.888181254e+06 1.14 1.701728107e+06 1.701728107e+06 1.16 1.528607511e+06 1.528607511e+06 1.18 1.367697743e+06 1.367697743e+06 1.20 1.217992504e+06 1.217992504e+06 1.22 1.078581345e+06 1.078581345e+06 1.24 9.486244383e+05 9.486244383e+05 1.26 8.273754417e+05 8.273754417e+05 1.28 7.141564160e+05 7.141564160e+05 1.30 6.083542778e+05 6.083542778e+05 1.32 5.094050782e+05 5.094050782e+05 1.34 4.197655402e+05 4.197655402e+05 1.36 3.423655214e+05 3.423655214e+05 1.38 2.749188220e+05 2.749188220e+05 1.40 2.175837809e+05 2.175837809e+05 1.42 1.721045170e+05 1.721045170e+05 1.44 1.362611029e+05 1.362611029e+05 1.46 1.079718265e+05 1.079718265e+05 1.48 8.561709949e+04 8.561709949e+04 1.50 6.793316270e+04 6.793316270e+04 1.52 5.393083783e+04 5.393083783e+04 1.54 4.283458383e+04 4.283458383e+04 1.56 3.403451364e+04 3.403451364e+04 1.58 2.705070300e+04 2.705070300e+04 1.60 2.150443163e+04 2.150443163e+04 1.62 1.709696469e+04 1.709696469e+04 1.64 1.359299574e+04 1.359299574e+04 1.66 1.080642890e+04 1.080642890e+04 1.68 8.589731700e+03 8.589731700e+03 1.70 6.826014184e+03 6.826014184e+03 1.72 5.422638019e+03 5.422638019e+03 1.74 4.305892601e+03 4.305892601e+03 1.76 3.417302235e+03 3.417302235e+03 1.78 2.710335281e+03 2.710335281e+03 1.80 2.147975840e+03 2.147975840e+03 1.82 1.700778514e+03 1.700778514e+03 1.84 1.345274781e+03 1.345274781e+03 1.86 1.062831359e+03 1.062831359e+03 1.88 8.385861521e+02 8.385861521e+02 1.90 6.606689323e+02 6.606689323e+02 1.92 5.196217578e+02 5.196217578e+02 1.94 4.078989265e+02 4.078989265e+02 1.96 3.194723266e+02 3.194723266e+02 1.98 2.495692213e+02 2.495692213e+02 2.00 1.943812586e+02 1.943812586e+02 2.02 1.508729840e+02 1.508729840e+02 2.04 1.166268727e+02 1.166268727e+02 2.06 8.971647098e+01 8.971647098e+01 2.08 6.860796406e+01 6.860796406e+01 2.10 5.208130248e+01 5.208130248e+01 2.12 3.916605307e+01 3.916605307e+01 2.14 2.909319582e+01 2.909319582e+01 2.16 2.125362971e+01 2.125362971e+01 2.18 1.516395240e+01 1.516395240e+01 2.20 1.044425699e+01 1.044425699e+01 2.22 6.794992381e+00 6.794992381e+00 2.24 3.980075312e+00 3.980075312e+00 2.26 1.813865800e+00 1.813865800e+00 2.28 1.507501151e-01 1.507501151e-01 2.30 -1.123182464e+00 -1.123182464e+00 2.32 -2.096782479e+00 -2.096782479e+00 2.34 -2.839135243e+00 -2.839135243e+00 2.36 -3.403773256e+00 -3.403773256e+00 2.38 -3.832022361e+00 -3.832022361e+00 2.40 -4.155667131e+00 -4.155667131e+00 2.42 -4.399053485e+00 -4.399053485e+00 2.44 -4.580746128e+00 -4.580746128e+00 2.46 -4.714831092e+00 -4.714831092e+00 2.48 -4.811958886e+00 -4.811958886e+00 2.50 -4.880144689e+00 -4.880144689e+00 2.52 -4.925378120e+00 -4.925378120e+00 2.54 -4.952146806e+00 -4.952146806e+00 2.56 -4.963767468e+00 -4.963767468e+00 2.58 -4.962734923e+00 -4.962734923e+00 2.60 -4.950929283e+00 -4.950929283e+00 2.62 -4.929727223e+00 -4.929727223e+00 2.64 -4.900161040e+00 -4.900161040e+00 2.66 -4.863077774e+00 -4.863077774e+00 2.68 -4.819161109e+00 -4.819161109e+00 2.70 -4.768983322e+00 -4.768983322e+00 2.72 -4.713033262e+00 -4.713033262e+00 2.74 -4.651737170e+00 -4.651737170e+00 2.76 -4.585512677e+00 -4.585512677e+00 2.78 -4.514760949e+00 -4.514760949e+00 2.80 -4.439873048e+00 -4.439873048e+00 2.82 -4.361234017e+00 -4.361234017e+00 2.84 -4.279202485e+00 -4.279202485e+00 2.86 -4.194097721e+00 -4.194097721e+00 2.88 -4.106287126e+00 -4.106287126e+00 2.90 -4.016134183e+00 -4.016134183e+00 2.92 -3.923994147e+00 -3.923994147e+00 2.94 -3.830212438e+00 -3.830212438e+00 2.96 -3.735123054e+00 -3.735123054e+00 2.98 -3.639042061e+00 -3.639042061e+00 3.00 -3.542245395e+00 -3.542245395e+00 3.02 -3.445017889e+00 -3.445017889e+00 3.04 -3.347633282e+00 -3.347633282e+00 3.06 -3.250340478e+00 -3.250340478e+00 3.08 -3.153333317e+00 -3.153333317e+00 3.10 -3.056826068e+00 -3.056826068e+00 3.12 -2.961023025e+00 -2.961023025e+00 3.14 -2.866111730e+00 -2.866111730e+00 3.16 -2.772263280e+00 -2.772263280e+00 3.18 -2.679632748e+00 -2.679632748e+00 3.20 -2.588359682e+00 -2.588359682e+00 3.22 -2.498568693e+00 -2.498568693e+00 3.24 -2.410370092e+00 -2.410370092e+00 3.26 -2.323860576e+00 -2.323860576e+00 3.28 -2.239123942e+00 -2.239123942e+00 3.30 -2.156231821e+00 -2.156231821e+00 3.32 -2.075238825e+00 -2.075238825e+00 3.34 -1.996129894e+00 -1.996129894e+00 3.36 -1.918928235e+00 -1.918928235e+00 3.38 -1.843666910e+00 -1.843666910e+00 3.40 -1.770370582e+00 -1.770370582e+00 3.42 -1.699056174e+00 -1.699056174e+00 3.44 -1.629733498e+00 -1.629733498e+00 3.46 -1.562405872e+00 -1.562405872e+00 3.48 -1.497070700e+00 -1.497070700e+00 3.50 -1.433720025e+00 -1.433720025e+00 3.52 -1.372341057e+00 -1.372341057e+00 3.54 -1.312916669e+00 -1.312916669e+00 3.56 -1.255425866e+00 -1.255425866e+00 3.58 -1.199844219e+00 -1.199844219e+00 3.60 -1.146144278e+00 -1.146144278e+00 3.62 -1.094295948e+00 -1.094295948e+00 3.64 -1.044266848e+00 -1.044266848e+00 3.66 -9.960226372e-01 -9.960226372e-01 3.68 -9.495273125e-01 -9.495273125e-01 3.70 -9.047434924e-01 -9.047434924e-01 3.72 -8.616326684e-01 -8.616326684e-01 3.74 -8.201554398e-01 -8.201554398e-01 3.76 -7.802717259e-01 -7.802717259e-01 3.78 -7.419409591e-01 -7.419409591e-01 3.80 -7.051222606e-01 -7.051222606e-01 3.82 -6.697745983e-01 -6.697745983e-01 3.84 -6.358569291e-01 -6.358569291e-01 3.86 -6.033283261e-01 -6.033283261e-01 3.88 -5.721480929e-01 -5.721480929e-01 3.90 -5.422758644e-01 -5.422758644e-01 3.92 -5.136716957e-01 -5.136716957e-01 3.94 -4.862961408e-01 -4.862961408e-01 3.96 -4.601103213e-01 -4.601103213e-01 3.98 -4.350759848e-01 -4.350759848e-01 4.00 -4.111555565e-01 -4.111555565e-01 4.02 -3.883121818e-01 -3.883121818e-01 4.04 -3.665097626e-01 -3.665097626e-01 4.06 -3.457129872e-01 -3.457129872e-01 4.08 -3.258873536e-01 -3.258873536e-01 4.10 -3.069991891e-01 -3.069991891e-01 4.12 -2.890156633e-01 -2.890156633e-01 4.14 -2.719047984e-01 -2.719047984e-01 4.16 -2.556354748e-01 -2.556354748e-01 4.18 -2.401774337e-01 -2.401774337e-01 4.20 -2.255012763e-01 -2.255012763e-01 4.22 -2.115687199e-01 -2.115687199e-01 4.24 -1.983424464e-01 -1.983424464e-01 4.26 -1.857964252e-01 -1.857964252e-01 4.28 -1.739054337e-01 -1.739054337e-01 4.30 -1.626450442e-01 -1.626450442e-01 4.32 -1.519891782e-01 -1.519891782e-01 4.34 -1.418878823e-01 -1.418878823e-01 4.36 -1.323125217e-01 -1.323125217e-01 4.38 -1.232429759e-01 -1.232429759e-01 4.40 -1.146598181e-01 -1.146598181e-01 4.42 -1.065442982e-01 -1.065442982e-01 4.44 -9.887832572e-02 -9.887832572e-02 4.46 -9.164445356e-02 -9.164445356e-02 4.48 -8.482585613e-02 -8.482585613e-02 4.50 -7.840631392e-02 -7.840631392e-02 4.52 -7.237019711e-02 -7.237019711e-02 4.54 -6.670244788e-02 -6.670244788e-02 4.56 -6.138855452e-02 -6.138855452e-02 4.58 -5.641397147e-02 -5.641397147e-02 4.60 -5.176530984e-02 -5.176530984e-02 4.62 -4.743004445e-02 -4.743004445e-02 4.64 -4.339597465e-02 -4.339597465e-02 4.66 -3.965125113e-02 -3.965125113e-02 4.68 -3.618439455e-02 -3.618439455e-02 4.70 -3.297604602e-02 -3.297604602e-02 4.72 -2.999537600e-02 -2.999537600e-02 4.74 -2.723249524e-02 -2.723249524e-02 4.76 -2.467886805e-02 -2.467886805e-02 4.78 -2.232627225e-02 -2.232627225e-02 4.80 -2.016679330e-02 -2.016679330e-02 4.82 -1.819281728e-02 -1.819281728e-02 4.84 -1.639702314e-02 -1.639702314e-02 4.86 -1.476850228e-02 -1.476850228e-02 4.88 -1.327756075e-02 -1.327756075e-02 4.90 -1.191492702e-02 -1.191492702e-02 4.92 -1.067573532e-02 -1.067573532e-02 4.94 -9.555273556e-03 -9.555273556e-03 4.96 -8.548983709e-03 -8.548983709e-03 4.98 -7.652462166e-03 -7.652462166e-03 5.00 -6.839237890e-03 -6.839237890e-03 5.02 -6.084013738e-03 -6.084013738e-03 5.04 -5.384331061e-03 -5.384331061e-03 5.06 -4.737825180e-03 -4.737825180e-03 5.08 -4.142223693e-03 -4.142223693e-03 5.10 -3.595344602e-03 -3.595344602e-03 5.12 -3.095094145e-03 -3.095094145e-03 5.14 -2.639464422e-03 -2.639464422e-03 5.16 -2.226530849e-03 -2.226530849e-03 5.18 -1.854449507e-03 -1.854449507e-03 5.20 -1.521454413e-03 -1.521454413e-03 5.22 -1.225854763e-03 -1.225854763e-03 5.24 -9.660321531e-04 -9.660321531e-04 5.26 -7.404378190e-04 -7.404378190e-04 5.28 -5.475899055e-04 -5.475899055e-04 5.30 -3.860707779e-04 -3.860707779e-04 5.32 -2.545243909e-04 -2.545243909e-04 5.34 -1.516537228e-04 -1.516537228e-04 5.36 -7.621828027e-05 -7.621828027e-05 5.38 -2.703168049e-05 -2.703168049e-05 5.40 -2.959312954e-06 -2.959312954e-06 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00