# 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 = Ag2PbW # 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 3.976938340e+02 3.976938340e+02 1.30 3.694183301e+02 3.694183301e+02 1.32 3.431954725e+02 3.431954725e+02 1.34 3.188754426e+02 3.188754426e+02 1.36 2.963217572e+02 2.963217572e+02 1.38 2.754061627e+02 2.754061627e+02 1.40 2.560057087e+02 2.560057087e+02 1.42 2.380025961e+02 2.380025961e+02 1.44 2.212856229e+02 2.212856229e+02 1.46 2.057516451e+02 2.057516451e+02 1.48 1.913063263e+02 1.913063263e+02 1.50 1.778641546e+02 1.778641546e+02 1.52 1.653479318e+02 1.653479318e+02 1.54 1.536879294e+02 1.536879294e+02 1.56 1.428209429e+02 1.428209429e+02 1.58 1.326894202e+02 1.326894202e+02 1.60 1.232407381e+02 1.232407381e+02 1.62 1.144266573e+02 1.144266573e+02 1.64 1.062029305e+02 1.062029305e+02 1.66 9.852902247e+01 9.852902247e+01 1.68 9.136782803e+01 9.136782803e+01 1.70 8.468533565e+01 8.468533565e+01 1.72 7.845036261e+01 7.845036261e+01 1.74 7.263427862e+01 7.263427862e+01 1.76 6.720963625e+01 6.720963625e+01 1.78 6.215213003e+01 6.215213003e+01 1.80 5.744306847e+01 5.744306847e+01 1.82 5.306120823e+01 5.306120823e+01 1.84 4.898397368e+01 4.898397368e+01 1.86 4.518988770e+01 4.518988770e+01 1.88 4.165916664e+01 4.165916664e+01 1.90 3.837362783e+01 3.837362783e+01 1.92 3.531652519e+01 3.531652519e+01 1.94 3.247236393e+01 3.247236393e+01 1.96 2.982673490e+01 2.982673490e+01 1.98 2.736618844e+01 2.736618844e+01 2.00 2.507813087e+01 2.507813087e+01 2.02 2.295073142e+01 2.295073142e+01 2.04 2.097283433e+01 2.097283433e+01 2.06 1.913388714e+01 1.913388714e+01 2.08 1.742389444e+01 1.742389444e+01 2.10 1.583340673e+01 1.583340673e+01 2.12 1.435353747e+01 1.435353747e+01 2.14 1.297600069e+01 1.297600069e+01 2.16 1.169315521e+01 1.169315521e+01 2.18 1.049803795e+01 1.049803795e+01 2.20 9.384368518e+00 9.384368518e+00 2.22 8.346522368e+00 8.346522368e+00 2.24 7.379471040e+00 7.379471040e+00 2.26 6.478701259e+00 6.478701259e+00 2.28 5.640121655e+00 5.640121655e+00 2.30 4.859995064e+00 4.859995064e+00 2.32 4.134917242e+00 4.134917242e+00 2.34 3.461520934e+00 3.461520934e+00 2.36 2.836594718e+00 2.836594718e+00 2.38 2.257096135e+00 2.257096135e+00 2.40 1.720137034e+00 1.720137034e+00 2.42 1.222979477e+00 1.222979477e+00 2.44 7.630355961e-01 7.630355961e-01 2.46 3.379026195e-01 3.379026195e-01 2.48 -5.446298793e-02 -5.446298793e-02 2.50 -4.159316327e-01 -4.159316327e-01 2.52 -7.482996739e-01 -7.482996739e-01 2.54 -1.053284317e+00 -1.053284317e+00 2.56 -1.332524547e+00 -1.332524547e+00 2.58 -1.587586358e+00 -1.587586358e+00 2.60 -1.819969314e+00 -1.819969314e+00 2.62 -2.031110578e+00 -2.031110578e+00 2.64 -2.222386492e+00 -2.222386492e+00 2.66 -2.395104653e+00 -2.395104653e+00 2.68 -2.550498457e+00 -2.550498457e+00 2.70 -2.689720038e+00 -2.689720038e+00 2.72 -2.813837509e+00 -2.813837509e+00 2.74 -2.923836551e+00 -2.923836551e+00 2.76 -3.020625150e+00 -3.020625150e+00 2.78 -3.105039415e+00 -3.105039415e+00 2.80 -3.177849766e+00 -3.177849766e+00 2.82 -3.239764891e+00 -3.239764891e+00 2.84 -3.291436546e+00 -3.291436546e+00 2.86 -3.333463829e+00 -3.333463829e+00 2.88 -3.366398691e+00 -3.366398691e+00 2.90 -3.390753126e+00 -3.390753126e+00 2.92 -3.407008246e+00 -3.407008246e+00 2.94 -3.415624879e+00 -3.415624879e+00 2.96 -3.417054808e+00 -3.417054808e+00 2.98 -3.411751315e+00 -3.411751315e+00 3.00 -3.400177434e+00 -3.400177434e+00 3.02 -3.382814620e+00 -3.382814620e+00 3.04 -3.360338247e+00 -3.360338247e+00 3.06 -3.333182795e+00 -3.333182795e+00 3.08 -3.301676638e+00 -3.301676638e+00 3.10 -3.266148258e+00 -3.266148258e+00 3.12 -3.226804380e+00 -3.226804380e+00 3.14 -3.183886262e+00 -3.183886262e+00 3.16 -3.137648634e+00 -3.137648634e+00 3.18 -3.088343005e+00 -3.088343005e+00 3.20 -3.036203218e+00 -3.036203218e+00 3.22 -2.981440080e+00 -2.981440080e+00 3.24 -2.924249038e+00 -2.924249038e+00 3.26 -2.864810394e+00 -2.864810394e+00 3.28 -2.803292402e+00 -2.803292402e+00 3.30 -2.739857325e+00 -2.739857325e+00 3.32 -2.674669322e+00 -2.674669322e+00 3.34 -2.607903013e+00 -2.607903013e+00 3.36 -2.539751573e+00 -2.539751573e+00 3.38 -2.470433286e+00 -2.470433286e+00 3.40 -2.400195444e+00 -2.400195444e+00 3.42 -2.329316086e+00 -2.329316086e+00 3.44 -2.258100126e+00 -2.258100126e+00 3.46 -2.186874186e+00 -2.186874186e+00 3.48 -2.115977250e+00 -2.115977250e+00 3.50 -2.045749377e+00 -2.045749377e+00 3.52 -1.976519393e+00 -1.976519393e+00 3.54 -1.908592847e+00 -1.908592847e+00 3.56 -1.842241459e+00 -1.842241459e+00 3.58 -1.777695055e+00 -1.777695055e+00 3.60 -1.715136587e+00 -1.715136587e+00 3.62 -1.654700409e+00 -1.654700409e+00 3.64 -1.596473565e+00 -1.596473565e+00 3.66 -1.540499526e+00 -1.540499526e+00 3.68 -1.486783615e+00 -1.486783615e+00 3.70 -1.435299335e+00 -1.435299335e+00 3.72 -1.385994874e+00 -1.385994874e+00 3.74 -1.338799241e+00 -1.338799241e+00 3.76 -1.293627664e+00 -1.293627664e+00 3.78 -1.250386137e+00 -1.250386137e+00 3.80 -1.208975092e+00 -1.208975092e+00 3.82 -1.169292350e+00 -1.169292350e+00 3.84 -1.131235457e+00 -1.131235457e+00 3.86 -1.094703573e+00 -1.094703573e+00 3.88 -1.059598979e+00 -1.059598979e+00 3.90 -1.025828256e+00 -1.025828256e+00 3.92 -9.933026548e-01 -9.933026548e-01 3.94 -9.619407390e-01 -9.619407390e-01 3.96 -9.316653961e-01 -9.316653961e-01 3.98 -9.024061804e-01 -9.024061804e-01 4.00 -8.740985429e-01 -8.740985429e-01 4.02 -8.466835385e-01 -8.466835385e-01 4.04 -8.201074610e-01 -8.201074610e-01 4.06 -7.943214619e-01 -7.943214619e-01 4.08 -7.692812039e-01 -7.692812039e-01 4.10 -7.449455060e-01 -7.449455060e-01 4.12 -7.212806644e-01 -7.212806644e-01 4.14 -6.982532738e-01 -6.982532738e-01 4.16 -6.758352077e-01 -6.758352077e-01 4.18 -6.540023668e-01 -6.540023668e-01 4.20 -6.327347709e-01 -6.327347709e-01 4.22 -6.120166258e-01 -6.120166258e-01 4.24 -5.918363030e-01 -5.918363030e-01 4.26 -5.721861716e-01 -5.721861716e-01 4.28 -5.530622319e-01 -5.530622319e-01 4.30 -5.344635180e-01 -5.344635180e-01 4.32 -5.163912706e-01 -5.163912706e-01 4.34 -4.988479202e-01 -4.988479202e-01 4.36 -4.818359545e-01 -4.818359545e-01 4.38 -4.653567754e-01 -4.653567754e-01 4.40 -4.494096596e-01 -4.494096596e-01 4.42 -4.339909261e-01 -4.339909261e-01 4.44 -4.190933866e-01 -4.190933866e-01 4.46 -4.047061108e-01 -4.047061108e-01 4.48 -3.908144965e-01 -3.908144965e-01 4.50 -3.774005972e-01 -3.774005972e-01 4.52 -3.644436353e-01 -3.644436353e-01 4.54 -3.519206226e-01 -3.519206226e-01 4.56 -3.398070153e-01 -3.398070153e-01 4.58 -3.280773460e-01 -3.280773460e-01 4.60 -3.167057946e-01 -3.167057946e-01 4.62 -3.056666793e-01 -3.056666793e-01 4.64 -2.949348669e-01 -2.949348669e-01 4.66 -2.844861103e-01 -2.844861103e-01 4.68 -2.742973316e-01 -2.742973316e-01 4.70 -2.643468697e-01 -2.643468697e-01 4.72 -2.546147112e-01 -2.546147112e-01 4.74 -2.450827215e-01 -2.450827215e-01 4.76 -2.357348862e-01 -2.357348862e-01 4.78 -2.265575667e-01 -2.265575667e-01 4.80 -2.175390021e-01 -2.175390021e-01 4.82 -2.086727587e-01 -2.086727587e-01 4.84 -1.999530018e-01 -1.999530018e-01 4.86 -1.913781637e-01 -1.913781637e-01 4.88 -1.829501541e-01 -1.829501541e-01 4.90 -1.746743684e-01 -1.746743684e-01 4.92 -1.665595478e-01 -1.665595478e-01 4.94 -1.586174707e-01 -1.586174707e-01 4.96 -1.508624604e-01 -1.508624604e-01 4.98 -1.433107195e-01 -1.433107195e-01 5.00 -1.359795199e-01 -1.359795199e-01 5.02 -1.288862913e-01 -1.288862913e-01 5.04 -1.220476841e-01 -1.220476841e-01 5.06 -1.154786765e-01 -1.154786765e-01 5.08 -1.091917990e-01 -1.091917990e-01 5.10 -1.031965384e-01 -1.031965384e-01 5.12 -9.749895706e-02 -9.749895706e-02 5.14 -9.210155042e-02 -9.210155042e-02 5.16 -8.700332892e-02 -8.700332892e-02 5.18 -8.220009005e-02 -8.220009005e-02 5.20 -7.768459211e-02 -7.768459211e-02 5.22 -7.344716166e-02 -7.344716166e-02 5.24 -6.947712116e-02 -6.947712116e-02 5.26 -6.576239594e-02 -6.576239594e-02 5.28 -6.228998411e-02 -6.228998411e-02 5.30 -5.904638738e-02 -5.904638738e-02 5.32 -5.601794857e-02 -5.601794857e-02 5.34 -5.319110016e-02 -5.319110016e-02 5.36 -5.055245737e-02 -5.055245737e-02 5.38 -4.808900556e-02 -4.808900556e-02 5.40 -4.578834886e-02 -4.578834886e-02 5.42 -4.363853579e-02 -4.363853579e-02 5.44 -4.162808724e-02 -4.162808724e-02 5.46 -3.974601908e-02 -3.974601908e-02 5.48 -3.798185957e-02 -3.798185957e-02 5.50 -3.632566397e-02 -3.632566397e-02 5.52 -3.476802697e-02 -3.476802697e-02 5.54 -3.330009208e-02 -3.330009208e-02 5.56 -3.191355716e-02 -3.191355716e-02 5.58 -3.060067513e-02 -3.060067513e-02 5.60 -2.935424934e-02 -2.935424934e-02 5.62 -2.816762389e-02 -2.816762389e-02 5.64 -2.703466894e-02 -2.703466894e-02 5.66 -2.594976281e-02 -2.594976281e-02 5.68 -2.490777145e-02 -2.490777145e-02 5.70 -2.390402681e-02 -2.390402681e-02 5.72 -2.293430521e-02 -2.293430521e-02 5.74 -2.199480693e-02 -2.199480693e-02 5.76 -2.108213800e-02 -2.108213800e-02 5.78 -2.019329466e-02 -2.019329466e-02 5.80 -1.932565103e-02 -1.932565103e-02 5.82 -1.847694991e-02 -1.847694991e-02 5.84 -1.764529657e-02 -1.764529657e-02 5.86 -1.682915481e-02 -1.682915481e-02 5.88 -1.602734442e-02 -1.602734442e-02 5.90 -1.523903892e-02 -1.523903892e-02 5.92 -1.446376205e-02 -1.446376205e-02 5.94 -1.370136396e-02 -1.370136396e-02 5.96 -1.295194775e-02 -1.295194775e-02 5.98 -1.221603864e-02 -1.221603864e-02 6.00 -1.149447264e-02 -1.149447264e-02