# 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 = NiPdPt2 # 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 3.099397058e+02 3.099397058e+02 1.30 2.884045558e+02 2.884045558e+02 1.32 2.683064669e+02 2.683064669e+02 1.34 2.495465203e+02 2.495465203e+02 1.36 2.320308760e+02 2.320308760e+02 1.38 2.156696776e+02 2.156696776e+02 1.40 2.003805589e+02 2.003805589e+02 1.42 1.860914781e+02 1.860914781e+02 1.44 1.727373693e+02 1.727373693e+02 1.46 1.602547247e+02 1.602547247e+02 1.48 1.485809287e+02 1.485809287e+02 1.50 1.376571150e+02 1.376571150e+02 1.52 1.274291247e+02 1.274291247e+02 1.54 1.178456113e+02 1.178456113e+02 1.56 1.088565133e+02 1.088565133e+02 1.58 1.004137087e+02 1.004137087e+02 1.60 9.247259527e+01 9.247259527e+01 1.62 8.499291218e+01 8.499291218e+01 1.64 7.793862192e+01 7.793862192e+01 1.66 7.127772585e+01 7.127772585e+01 1.68 6.498263238e+01 6.498263238e+01 1.70 5.903074384e+01 5.903074384e+01 1.72 5.340584838e+01 5.340584838e+01 1.74 4.817261755e+01 4.817261755e+01 1.76 4.337642310e+01 4.337642310e+01 1.78 3.898363006e+01 3.898363006e+01 1.80 3.496081727e+01 3.496081727e+01 1.82 3.127618693e+01 3.127618693e+01 1.84 2.790102069e+01 2.790102069e+01 1.86 2.481043160e+01 2.481043160e+01 1.88 2.198311961e+01 2.198311961e+01 1.90 1.940025851e+01 1.940025851e+01 1.92 1.704407298e+01 1.704407298e+01 1.94 1.489684468e+01 1.489684468e+01 1.96 1.294076313e+01 1.294076313e+01 1.98 1.115845353e+01 1.115845353e+01 2.00 9.533678273e+00 9.533678273e+00 2.02 8.051805927e+00 8.051805927e+00 2.04 6.699932898e+00 6.699932898e+00 2.06 5.466750712e+00 5.466750712e+00 2.08 4.342298430e+00 4.342298430e+00 2.10 3.317698241e+00 3.317698241e+00 2.12 2.384925600e+00 2.384925600e+00 2.14 1.536639864e+00 1.536639864e+00 2.16 7.660850421e-01 7.660850421e-01 2.18 6.705056620e-02 6.705056620e-02 2.20 -5.661347724e-01 -5.661347724e-01 2.22 -1.138604851e+00 -1.138604851e+00 2.24 -1.654972355e+00 -1.654972355e+00 2.26 -2.119363981e+00 -2.119363981e+00 2.28 -2.535472687e+00 -2.535472687e+00 2.30 -2.906623582e+00 -2.906623582e+00 2.32 -3.235849246e+00 -3.235849246e+00 2.34 -3.525967273e+00 -3.525967273e+00 2.36 -3.779649969e+00 -3.779649969e+00 2.38 -3.999477401e+00 -3.999477401e+00 2.40 -4.187971327e+00 -4.187971327e+00 2.42 -4.347614311e+00 -4.347614311e+00 2.44 -4.480860428e+00 -4.480860428e+00 2.46 -4.590418684e+00 -4.590418684e+00 2.48 -4.681197674e+00 -4.681197674e+00 2.50 -4.755392102e+00 -4.755392102e+00 2.52 -4.814495866e+00 -4.814495866e+00 2.54 -4.860067281e+00 -4.860067281e+00 2.56 -4.893647622e+00 -4.893647622e+00 2.58 -4.916669021e+00 -4.916669021e+00 2.60 -4.930374253e+00 -4.930374253e+00 2.62 -4.935770305e+00 -4.935770305e+00 2.64 -4.933623269e+00 -4.933623269e+00 2.66 -4.924491391e+00 -4.924491391e+00 2.68 -4.908780159e+00 -4.908780159e+00 2.70 -4.886797449e+00 -4.886797449e+00 2.72 -4.858798648e+00 -4.858798648e+00 2.74 -4.825039343e+00 -4.825039343e+00 2.76 -4.785988459e+00 -4.785988459e+00 2.78 -4.741827276e+00 -4.741827276e+00 2.80 -4.692634036e+00 -4.692634036e+00 2.82 -4.638451353e+00 -4.638451353e+00 2.84 -4.579362356e+00 -4.579362356e+00 2.86 -4.515509612e+00 -4.515509612e+00 2.88 -4.447109651e+00 -4.447109651e+00 2.90 -4.374470487e+00 -4.374470487e+00 2.92 -4.298005961e+00 -4.298005961e+00 2.94 -4.218246336e+00 -4.218246336e+00 2.96 -4.135842507e+00 -4.135842507e+00 2.98 -4.051513316e+00 -4.051513316e+00 3.00 -3.965993471e+00 -3.965993471e+00 3.02 -3.879980893e+00 -3.879980893e+00 3.04 -3.794087312e+00 -3.794087311e+00 3.06 -3.708802606e+00 -3.708802606e+00 3.08 -3.624478939e+00 -3.624478939e+00 3.10 -3.541334899e+00 -3.541334899e+00 3.12 -3.459474741e+00 -3.459474741e+00 3.14 -3.378915648e+00 -3.378915648e+00 3.16 -3.299616204e+00 -3.299616204e+00 3.18 -3.221501504e+00 -3.221501504e+00 3.20 -3.144482618e+00 -3.144482618e+00 3.22 -3.068470165e+00 -3.068470165e+00 3.24 -2.993382852e+00 -2.993382852e+00 3.26 -2.919152259e+00 -2.919152259e+00 3.28 -2.845742673e+00 -2.845742673e+00 3.30 -2.773220884e+00 -2.773220884e+00 3.32 -2.701674356e+00 -2.701674356e+00 3.34 -2.631178997e+00 -2.631178997e+00 3.36 -2.561802216e+00 -2.561802216e+00 3.38 -2.493604517e+00 -2.493604517e+00 3.40 -2.426639990e+00 -2.426639990e+00 3.42 -2.360956108e+00 -2.360956108e+00 3.44 -2.296593096e+00 -2.296593096e+00 3.46 -2.233583215e+00 -2.233583215e+00 3.48 -2.171950143e+00 -2.171950143e+00 3.50 -2.111708632e+00 -2.111708632e+00 3.52 -2.052864488e+00 -2.052864488e+00 3.54 -1.995414880e+00 -1.995414880e+00 3.56 -1.939348924e+00 -1.939348924e+00 3.58 -1.884648427e+00 -1.884648427e+00 3.60 -1.831288720e+00 -1.831288720e+00 3.62 -1.779239481e+00 -1.779239481e+00 3.64 -1.728465535e+00 -1.728465535e+00 3.66 -1.678927616e+00 -1.678927616e+00 3.68 -1.630583153e+00 -1.630583153e+00 3.70 -1.583387135e+00 -1.583387135e+00 3.72 -1.537293115e+00 -1.537293115e+00 3.74 -1.492254389e+00 -1.492254389e+00 3.76 -1.448225311e+00 -1.448225311e+00 3.78 -1.405162675e+00 -1.405162675e+00 3.80 -1.363027021e+00 -1.363027021e+00 3.82 -1.321783689e+00 -1.321783689e+00 3.84 -1.281403460e+00 -1.281403460e+00 3.86 -1.241862675e+00 -1.241862675e+00 3.88 -1.203142788e+00 -1.203142788e+00 3.90 -1.165229479e+00 -1.165229479e+00 3.92 -1.128111510e+00 -1.128111510e+00 3.94 -1.091779627e+00 -1.091779627e+00 3.96 -1.056225754e+00 -1.056225754e+00 3.98 -1.021442739e+00 -1.021442739e+00 4.00 -9.874246958e-01 -9.874246958e-01 4.02 -9.541679105e-01 -9.541679105e-01 4.04 -9.216720905e-01 -9.216720905e-01 4.06 -8.899416783e-01 -8.899416783e-01 4.08 -8.589868906e-01 -8.589868906e-01 4.10 -8.288241662e-01 -8.288241662e-01 4.12 -7.994758268e-01 -7.994758268e-01 4.14 -7.709687440e-01 -7.709687440e-01 4.16 -7.433321783e-01 -7.433321783e-01 4.18 -7.165948860e-01 -7.165948860e-01 4.20 -6.907818657e-01 -6.907818657e-01 4.22 -6.659111487e-01 -6.659111487e-01 4.24 -6.419910566e-01 -6.419910566e-01 4.26 -6.190182745e-01 -6.190182745e-01 4.28 -5.969769546e-01 -5.969769546e-01 4.30 -5.758388914e-01 -5.758388914e-01 4.32 -5.555646452e-01 -5.555646452e-01 4.34 -5.361053695e-01 -5.361053695e-01 4.36 -5.174050336e-01 -5.174050336e-01 4.38 -4.994027367e-01 -4.994027367e-01 4.40 -4.820348578e-01 -4.820348578e-01 4.42 -4.652368697e-01 -4.652368697e-01 4.44 -4.489447322e-01 -4.489447322e-01 4.46 -4.330958617e-01 -4.330958617e-01 4.48 -4.176297377e-01 -4.176297377e-01 4.50 -4.024882489e-01 -4.024882489e-01 4.52 -3.876159037e-01 -3.876159037e-01 4.54 -3.729600277e-01 -3.729600277e-01 4.56 -3.584710593e-01 -3.584710593e-01 4.58 -3.441030253e-01 -3.441030253e-01 4.60 -3.298142461e-01 -3.298142461e-01 4.62 -3.155682837e-01 -3.155682837e-01 4.64 -3.013351093e-01 -3.013351093e-01 4.66 -2.870924343e-01 -2.870924343e-01 4.68 -2.728271150e-01 -2.728271150e-01 4.70 -2.585365156e-01 -2.585365156e-01 4.72 -2.442296871e-01 -2.442296871e-01 4.74 -2.299282060e-01 -2.299282060e-01 4.76 -2.156665116e-01 -2.156665116e-01 4.78 -2.014915969e-01 -2.014915969e-01 4.80 -1.874619430e-01 -1.874619430e-01 4.82 -1.736456553e-01 -1.736456553e-01 4.84 -1.601178215e-01 -1.601178215e-01 4.86 -1.469572522e-01 -1.469572522e-01 4.88 -1.342428131e-01 -1.342428131e-01 4.90 -1.220496043e-01 -1.220496043e-01 4.92 -1.104453591e-01 -1.104453591e-01 4.94 -9.948737662e-02 -9.948737662e-02 4.96 -8.922130999e-02 -8.922130999e-02 4.98 -7.967720108e-02 -7.967720108e-02 5.00 -7.086986726e-02 -7.086986726e-02 5.02 -6.280032629e-02 -6.280032629e-02 5.04 -5.545686331e-02 -5.545686331e-02 5.06 -4.881669127e-02 -4.881669127e-02 5.08 -4.284797685e-02 -4.284797685e-02 5.10 -3.751201542e-02 -3.751201542e-02 5.12 -3.276537278e-02 -3.276537278e-02 5.14 -2.856184893e-02 -2.856184893e-02 5.16 -2.485419745e-02 -2.485419745e-02 5.18 -2.159553778e-02 -2.159553778e-02 5.20 -1.874045496e-02 -1.874045496e-02 5.22 -1.624579279e-02 -1.624579279e-02 5.24 -1.407119611e-02 -1.407119611e-02 5.26 -1.217934994e-02 -1.217934994e-02 5.28 -1.053602426e-02 -1.053602426e-02 5.30 -9.110763899e-03 -9.110763899e-03 5.32 -7.876220240e-03 -7.876220240e-03 5.34 -6.807973912e-03 -6.807973912e-03 5.36 -5.884370782e-03 -5.884370782e-03 5.38 -5.086317402e-03 -5.086317402e-03 5.40 -4.397056816e-03 -4.397056816e-03 5.42 -3.801939443e-03 -3.801939443e-03 5.44 -3.288198937e-03 -3.288198937e-03 5.46 -2.844739417e-03 -2.844739417e-03 5.48 -2.461937775e-03 -2.461937775e-03 5.50 -2.131462976e-03 -2.131462976e-03 5.52 -1.846112928e-03 -1.846112928e-03 5.54 -1.599668670e-03 -1.599668670e-03 5.56 -1.386765035e-03 -1.386765035e-03 5.58 -1.202776671e-03 -1.202776671e-03 5.60 -1.043718103e-03 -1.043718103e-03 5.62 -9.061564678e-04 -9.061564678e-04 5.64 -7.871355881e-04 -7.871355881e-04 5.66 -6.841100872e-04 -6.841100872e-04 5.68 -5.948883533e-04 -5.948883533e-04 5.70 -5.175832555e-04 -5.175832555e-04 5.72 -4.505696243e-04 -4.505696243e-04 5.74 -3.924476112e-04 -3.924476112e-04 5.76 -3.420111460e-04 -3.420111460e-04 5.78 -2.982208025e-04 -2.982208025e-04 5.80 -2.601804708e-04 -2.601804708e-04 5.82 -2.271173086e-04 -2.271173086e-04 5.84 -1.983645175e-04 -1.983645175e-04 5.86 -1.733465464e-04 -1.733465464e-04 5.88 -1.515663824e-04 -1.515663824e-04 5.90 -1.325946338e-04 -1.325946338e-04 5.92 -1.160601513e-04 -1.160601513e-04 5.94 -1.016419692e-04 -1.016419692e-04 5.96 -8.906238052e-05 -8.906238052e-05 5.98 -7.808098289e-05 -7.808098289e-05 6.00 -6.848955957e-05 -6.848955957e-05