# 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 = AgPb2Ti # 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 3.776066215e+02 3.776066215e+02 1.30 3.524739579e+02 3.524739579e+02 1.32 3.291077568e+02 3.291077568e+02 1.34 3.073698141e+02 3.073698141e+02 1.36 2.871323107e+02 2.871323107e+02 1.38 2.682774926e+02 2.682774926e+02 1.40 2.506983020e+02 2.506983020e+02 1.42 2.342985919e+02 2.342985919e+02 1.44 2.189920571e+02 2.189920571e+02 1.46 2.047003675e+02 2.047003675e+02 1.48 1.913515235e+02 1.913515235e+02 1.50 1.788788551e+02 1.788788551e+02 1.52 1.672204337e+02 1.672204337e+02 1.54 1.563187350e+02 1.563187350e+02 1.56 1.461203408e+02 1.461203408e+02 1.58 1.365756693e+02 1.365756693e+02 1.60 1.276387437e+02 1.276387437e+02 1.62 1.192671349e+02 1.192671349e+02 1.64 1.114219399e+02 1.114219399e+02 1.66 1.040676990e+02 1.040676990e+02 1.68 9.717212474e+01 9.717212474e+01 1.70 9.070563764e+01 9.070563764e+01 1.72 8.464080373e+01 8.464080373e+01 1.74 7.895190100e+01 7.895190100e+01 1.76 7.361617249e+01 7.361617249e+01 1.78 6.862214312e+01 6.862214312e+01 1.80 6.394880450e+01 6.394880450e+01 1.82 5.957413701e+01 5.957413701e+01 1.84 5.547784892e+01 5.547784892e+01 1.86 5.164135416e+01 5.164135416e+01 1.88 4.804765677e+01 4.804765677e+01 1.90 4.468116989e+01 4.468116989e+01 1.92 4.152751568e+01 4.152751568e+01 1.94 3.857337060e+01 3.857337060e+01 1.96 3.580631460e+01 3.580631460e+01 1.98 3.321470847e+01 3.321470847e+01 2.00 3.078758744e+01 3.078758744e+01 2.02 2.851458511e+01 2.851458511e+01 2.04 2.638588961e+01 2.638588961e+01 2.06 2.439223822e+01 2.439223822e+01 2.08 2.252494686e+01 2.252494686e+01 2.10 2.077593977e+01 2.077593977e+01 2.12 1.913776639e+01 1.913776639e+01 2.14 1.760356920e+01 1.760356920e+01 2.16 1.616702134e+01 1.616702134e+01 2.18 1.482225192e+01 1.482225192e+01 2.20 1.356377223e+01 1.356377223e+01 2.22 1.238642291e+01 1.238642291e+01 2.24 1.128533821e+01 1.128533821e+01 2.26 1.025592718e+01 1.025592718e+01 2.28 9.293867375e+00 9.293867375e+00 2.30 8.395094141e+00 8.395094141e+00 2.32 7.555782309e+00 7.555782309e+00 2.34 6.772328191e+00 6.772328191e+00 2.36 6.041315372e+00 6.041315372e+00 2.38 5.359493045e+00 5.359493045e+00 2.40 4.723763010e+00 4.723763010e+00 2.42 4.131178029e+00 4.131178029e+00 2.44 3.578946774e+00 3.578946774e+00 2.46 3.064443520e+00 3.064443520e+00 2.48 2.585216067e+00 2.585216067e+00 2.50 2.138989466e+00 2.138989466e+00 2.52 1.723663992e+00 1.723663992e+00 2.54 1.337307646e+00 1.337307646e+00 2.56 9.781441603e-01 9.781441603e-01 2.58 6.445374462e-01 6.445374462e-01 2.60 3.349735941e-01 3.349735941e-01 2.62 4.803058753e-02 4.803058753e-02 2.64 -2.176576771e-01 -2.176576771e-01 2.66 -4.633016175e-01 -4.633016175e-01 2.68 -6.900522795e-01 -6.900522795e-01 2.70 -8.990143751e-01 -8.990143751e-01 2.72 -1.091246770e+00 -1.091246770e+00 2.74 -1.267761573e+00 -1.267761573e+00 2.76 -1.429522868e+00 -1.429522868e+00 2.78 -1.577445576e+00 -1.577445576e+00 2.80 -1.712381142e+00 -1.712381142e+00 2.82 -1.835066203e+00 -1.835066203e+00 2.84 -1.946187636e+00 -1.946187636e+00 2.86 -2.046405796e+00 -2.046405796e+00 2.88 -2.136353957e+00 -2.136353957e+00 2.90 -2.216638280e+00 -2.216638280e+00 2.92 -2.287838157e+00 -2.287838157e+00 2.94 -2.350507092e+00 -2.350507092e+00 2.96 -2.405174476e+00 -2.405174476e+00 2.98 -2.452348429e+00 -2.452348429e+00 3.00 -2.492528546e+00 -2.492528546e+00 3.02 -2.526277037e+00 -2.526277037e+00 3.04 -2.554004558e+00 -2.554004558e+00 3.06 -2.576085046e+00 -2.576085046e+00 3.08 -2.592892404e+00 -2.592892404e+00 3.10 -2.604797573e+00 -2.604797573e+00 3.12 -2.612161646e+00 -2.612161646e+00 3.14 -2.615336585e+00 -2.615336585e+00 3.16 -2.614655390e+00 -2.614655390e+00 3.18 -2.610436515e+00 -2.610436515e+00 3.20 -2.602985502e+00 -2.602985502e+00 3.22 -2.592589359e+00 -2.592589359e+00 3.24 -2.579512067e+00 -2.579512067e+00 3.26 -2.563993322e+00 -2.563993322e+00 3.28 -2.546252498e+00 -2.546252498e+00 3.30 -2.526540031e+00 -2.526540031e+00 3.32 -2.504994903e+00 -2.504994903e+00 3.34 -2.481715797e+00 -2.481715797e+00 3.36 -2.456798489e+00 -2.456798489e+00 3.38 -2.430337490e+00 -2.430337490e+00 3.40 -2.402427415e+00 -2.402427415e+00 3.42 -2.373165396e+00 -2.373165396e+00 3.44 -2.342650524e+00 -2.342650524e+00 3.46 -2.310985309e+00 -2.310985309e+00 3.48 -2.278267477e+00 -2.278267477e+00 3.50 -2.244588806e+00 -2.244588806e+00 3.52 -2.210047458e+00 -2.210047458e+00 3.54 -2.174746778e+00 -2.174746778e+00 3.56 -2.138792746e+00 -2.138792746e+00 3.58 -2.102290948e+00 -2.102290948e+00 3.60 -2.065343473e+00 -2.065343473e+00 3.62 -2.028046256e+00 -2.028046256e+00 3.64 -1.990487358e+00 -1.990487358e+00 3.66 -1.952746408e+00 -1.952746408e+00 3.68 -1.914895127e+00 -1.914895127e+00 3.70 -1.876998573e+00 -1.876998573e+00 3.72 -1.839116616e+00 -1.839116616e+00 3.74 -1.801305197e+00 -1.801305197e+00 3.76 -1.763617104e+00 -1.763617104e+00 3.78 -1.726102194e+00 -1.726102194e+00 3.80 -1.688807185e+00 -1.688807185e+00 3.82 -1.651775234e+00 -1.651775234e+00 3.84 -1.615045522e+00 -1.615045522e+00 3.86 -1.578653023e+00 -1.578653023e+00 3.88 -1.542628507e+00 -1.542628507e+00 3.90 -1.506998790e+00 -1.506998790e+00 3.92 -1.471786455e+00 -1.471786455e+00 3.94 -1.437013117e+00 -1.437013117e+00 3.96 -1.402695443e+00 -1.402695443e+00 3.98 -1.368848598e+00 -1.368848598e+00 4.00 -1.335485686e+00 -1.335485686e+00 4.02 -1.302617907e+00 -1.302617907e+00 4.04 -1.270254653e+00 -1.270254653e+00 4.06 -1.238403570e+00 -1.238403570e+00 4.08 -1.207070618e+00 -1.207070618e+00 4.10 -1.176257991e+00 -1.176257991e+00 4.12 -1.145973326e+00 -1.145973326e+00 4.14 -1.116215637e+00 -1.116215637e+00 4.16 -1.086985583e+00 -1.086985583e+00 4.18 -1.058283122e+00 -1.058283122e+00 4.20 -1.030107849e+00 -1.030107849e+00 4.22 -1.002459325e+00 -1.002459325e+00 4.24 -9.753373802e-01 -9.753373802e-01 4.26 -9.487423348e-01 -9.487423348e-01 4.28 -9.226751182e-01 -9.226751182e-01 4.30 -8.971372534e-01 -8.971372534e-01 4.32 -8.721307010e-01 -8.721307010e-01 4.34 -8.476575719e-01 -8.476575719e-01 4.36 -8.237197420e-01 -8.237197420e-01 4.38 -8.003184160e-01 -8.003184160e-01 4.40 -7.774536968e-01 -7.774536968e-01 4.42 -7.551242155e-01 -7.551242155e-01 4.44 -7.333268630e-01 -7.333268630e-01 4.46 -7.120566481e-01 -7.120566481e-01 4.48 -6.913066820e-01 -6.913066820e-01 4.50 -6.710682750e-01 -6.710682750e-01 4.52 -6.513311170e-01 -6.513311170e-01 4.54 -6.320835087e-01 -6.320835087e-01 4.56 -6.133126133e-01 -6.133126133e-01 4.58 -5.950047040e-01 -5.950047040e-01 4.60 -5.771453931e-01 -5.771453931e-01 4.62 -5.597198342e-01 -5.597198342e-01 4.64 -5.427128990e-01 -5.427128990e-01 4.66 -5.261093339e-01 -5.261093339e-01 4.68 -5.098939061e-01 -5.098939061e-01 4.70 -4.940515476e-01 -4.940515476e-01 4.72 -4.785675083e-01 -4.785675083e-01 4.74 -4.634275269e-01 -4.634275269e-01 4.76 -4.486180228e-01 -4.486180228e-01 4.78 -4.341263152e-01 -4.341263152e-01 4.80 -4.199393831e-01 -4.199393831e-01 4.82 -4.060502856e-01 -4.060502856e-01 4.84 -3.924487982e-01 -3.924487982e-01 4.86 -3.791283734e-01 -3.791283734e-01 4.88 -3.660845982e-01 -3.660845982e-01 4.90 -3.533153488e-01 -3.533153488e-01 4.92 -3.408208535e-01 -3.408208535e-01 4.94 -3.286036383e-01 -3.286036383e-01 4.96 -3.166683330e-01 -3.166683330e-01 4.98 -3.050213330e-01 -3.050213330e-01 5.00 -2.936703211e-01 -2.936703211e-01 5.02 -2.826236782e-01 -2.826236782e-01 5.04 -2.718898271e-01 -2.718898271e-01 5.06 -2.614765652e-01 -2.614765652e-01 5.08 -2.513904515e-01 -2.513904515e-01 5.10 -2.416363047e-01 -2.416363047e-01 5.12 -2.322168566e-01 -2.322168566e-01 5.14 -2.231325845e-01 -2.231325845e-01 5.16 -2.143817180e-01 -2.143817180e-01 5.18 -2.059603979e-01 -2.059603979e-01 5.20 -1.978629437e-01 -1.978629437e-01 5.22 -1.900821794e-01 -1.900821794e-01 5.24 -1.826097704e-01 -1.826097704e-01 5.26 -1.754365283e-01 -1.754365283e-01 5.28 -1.685526566e-01 -1.685526566e-01 5.30 -1.619479253e-01 -1.619479253e-01 5.32 -1.556117730e-01 -1.556117730e-01 5.34 -1.495333518e-01 -1.495333518e-01 5.36 -1.437015311e-01 -1.437015311e-01 5.38 -1.381048841e-01 -1.381048841e-01 5.40 -1.327316760e-01 -1.327316760e-01 5.42 -1.275698708e-01 -1.275698708e-01 5.44 -1.226071676e-01 -1.226071676e-01 5.46 -1.178310673e-01 -1.178310673e-01 5.48 -1.132289757e-01 -1.132289757e-01 5.50 -1.087883353e-01 -1.087883353e-01 5.52 -1.044967780e-01 -1.044967780e-01 5.54 -1.003422936e-01 -1.003422936e-01 5.56 -9.631340445e-02 -9.631340445e-02 5.58 -9.239934087e-02 -9.239934087e-02 5.60 -8.859020986e-02 -8.859020986e-02 5.62 -8.487714864e-02 -8.487714864e-02 5.64 -8.125246071e-02 -8.125246071e-02 5.66 -7.770972515e-02 -7.770972515e-02 5.68 -7.424387247e-02 -7.424387247e-02 5.70 -7.085121983e-02 -7.085121983e-02 5.72 -6.752945924e-02 -6.752945924e-02 5.74 -6.427759413e-02 -6.427759413e-02 5.76 -6.109582300e-02 -6.109582300e-02 5.78 -5.798526956e-02 -5.798526956e-02 5.80 -5.494742832e-02 -5.494742832e-02 5.82 -5.198508726e-02 -5.198508726e-02 5.84 -4.910145318e-02 -4.910145318e-02 5.86 -4.629977345e-02 -4.629977345e-02 5.88 -4.358312074e-02 -4.358312074e-02 5.90 -4.095422181e-02 -4.095422181e-02 5.92 -3.841534125e-02 -3.841534125e-02 5.94 -3.596822363e-02 -3.596822363e-02 5.96 -3.361409084e-02 -3.361409084e-02 5.98 -3.135368343e-02 -3.135368343e-02 6.00 -2.918733370e-02 -2.918733370e-02