# 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 = MoPb2W # 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 4.938656509e+02 4.938656509e+02 1.30 4.609539398e+02 4.609539398e+02 1.32 4.303346299e+02 4.303346299e+02 1.34 4.018237157e+02 4.018237157e+02 1.36 3.752615644e+02 3.752615644e+02 1.38 3.505086754e+02 3.505086754e+02 1.40 3.274401650e+02 3.274401650e+02 1.42 3.059401558e+02 3.059401558e+02 1.44 2.858978355e+02 2.858978355e+02 1.46 2.672061659e+02 2.672061659e+02 1.48 2.497627864e+02 2.497627864e+02 1.50 2.334718223e+02 2.334718223e+02 1.52 2.182453666e+02 2.182453666e+02 1.54 2.040040510e+02 2.040040510e+02 1.56 1.906765508e+02 1.906765508e+02 1.58 1.781984269e+02 1.781984269e+02 1.60 1.665107131e+02 1.665107131e+02 1.62 1.555586920e+02 1.555586920e+02 1.64 1.452910199e+02 1.452910199e+02 1.66 1.356593593e+02 1.356593593e+02 1.68 1.266184424e+02 1.266184424e+02 1.70 1.181264515e+02 1.181264515e+02 1.72 1.101455893e+02 1.101455893e+02 1.74 1.026426459e+02 1.026426459e+02 1.76 9.558931238e+01 9.558931238e+01 1.78 8.896195608e+01 8.896195608e+01 1.80 8.274080771e+01 8.274080771e+01 1.82 7.690890497e+01 7.690890497e+01 1.84 7.145057589e+01 7.145057589e+01 1.86 6.635014522e+01 6.635014522e+01 1.88 6.159631620e+01 6.159631620e+01 1.90 5.717674314e+01 5.717674314e+01 1.92 5.306844660e+01 5.306844660e+01 1.94 4.924860436e+01 4.924860436e+01 1.96 4.569522185e+01 4.569522185e+01 1.98 4.238757938e+01 4.238757938e+01 2.00 3.930644342e+01 3.930644342e+01 2.02 3.643409640e+01 3.643409640e+01 2.04 3.375425194e+01 3.375425194e+01 2.06 3.125192774e+01 3.125192774e+01 2.08 2.891332986e+01 2.891332986e+01 2.10 2.672576071e+01 2.672576071e+01 2.12 2.467757999e+01 2.467757999e+01 2.14 2.275818272e+01 2.275818272e+01 2.16 2.095799080e+01 2.095799080e+01 2.18 1.926843194e+01 1.926843194e+01 2.20 1.768188163e+01 1.768188163e+01 2.22 1.619157716e+01 1.619157716e+01 2.24 1.479150396e+01 1.479150396e+01 2.26 1.347627314e+01 1.347627314e+01 2.28 1.224100787e+01 1.224100787e+01 2.30 1.108123759e+01 1.108123759e+01 2.32 9.992810664e+00 9.992810664e+00 2.34 8.971838183e+00 8.971838183e+00 2.36 8.014635654e+00 8.014635654e+00 2.38 7.117689303e+00 7.117689303e+00 2.40 6.277633958e+00 6.277633958e+00 2.42 5.491246493e+00 5.491246493e+00 2.44 4.755460160e+00 4.755460160e+00 2.46 4.067433852e+00 4.067433852e+00 2.48 3.424388785e+00 3.424388785e+00 2.50 2.823723140e+00 2.823723140e+00 2.52 2.263046082e+00 2.263046082e+00 2.54 1.740169247e+00 1.740169247e+00 2.56 1.253090249e+00 1.253090249e+00 2.58 7.999711837e-01 7.999711837e-01 2.60 3.791146614e-01 3.791146614e-01 2.62 -1.101211259e-02 -1.101211259e-02 2.64 -3.715616343e-01 -3.715616343e-01 2.66 -7.037797216e-01 -7.037797216e-01 2.68 -1.008953119e+00 -1.008953119e+00 2.70 -1.288350455e+00 -1.288350455e+00 2.72 -1.543228807e+00 -1.543228807e+00 2.74 -1.774836202e+00 -1.774836202e+00 2.76 -1.984410858e+00 -1.984410858e+00 2.78 -2.173175703e+00 -2.173175703e+00 2.80 -2.342204806e+00 -2.342204806e+00 2.82 -2.492389073e+00 -2.492389073e+00 2.84 -2.624624730e+00 -2.624624730e+00 2.86 -2.739827865e+00 -2.739827865e+00 2.88 -2.838937639e+00 -2.838937639e+00 2.90 -2.922921698e+00 -2.922921698e+00 2.92 -2.992781478e+00 -2.992781478e+00 2.94 -3.049554758e+00 -3.049554758e+00 2.96 -3.094313051e+00 -3.094313051e+00 2.98 -3.128152181e+00 -3.128152181e+00 3.00 -3.152175710e+00 -3.152175710e+00 3.02 -3.167472396e+00 -3.167472396e+00 3.04 -3.175089978e+00 -3.175089978e+00 3.06 -3.176010757e+00 -3.176010757e+00 3.08 -3.171127380e+00 -3.171127380e+00 3.10 -3.161228612e+00 -3.161228612e+00 3.12 -3.146989084e+00 -3.146989084e+00 3.14 -3.128976075e+00 -3.128976075e+00 3.16 -3.107642216e+00 -3.107642216e+00 3.18 -3.083341992e+00 -3.083341992e+00 3.20 -3.056338517e+00 -3.056338517e+00 3.22 -3.026812545e+00 -3.026812545e+00 3.24 -2.994871361e+00 -2.994871361e+00 3.26 -2.960558385e+00 -2.960558385e+00 3.28 -2.923864508e+00 -2.923864508e+00 3.30 -2.884741879e+00 -2.884741879e+00 3.32 -2.843120107e+00 -2.843120107e+00 3.34 -2.798949220e+00 -2.798949220e+00 3.36 -2.752291999e+00 -2.752291999e+00 3.38 -2.702872895e+00 -2.702872895e+00 3.40 -2.650445857e+00 -2.650445857e+00 3.42 -2.594897292e+00 -2.594897292e+00 3.44 -2.536233118e+00 -2.536233118e+00 3.46 -2.474477273e+00 -2.474477273e+00 3.48 -2.409782316e+00 -2.409782316e+00 3.50 -2.342473007e+00 -2.342473007e+00 3.52 -2.273016241e+00 -2.273016241e+00 3.54 -2.201981894e+00 -2.201981894e+00 3.56 -2.129999014e+00 -2.129999014e+00 3.58 -2.057712298e+00 -2.057712298e+00 3.60 -1.985743288e+00 -1.985743288e+00 3.62 -1.914659523e+00 -1.914659523e+00 3.64 -1.844953316e+00 -1.844953316e+00 3.66 -1.777030225e+00 -1.777030225e+00 3.68 -1.711206067e+00 -1.711206067e+00 3.70 -1.647710526e+00 -1.647710526e+00 3.72 -1.586695143e+00 -1.586695143e+00 3.74 -1.528243641e+00 -1.528243641e+00 3.76 -1.472382954e+00 -1.472382954e+00 3.78 -1.419093883e+00 -1.419093883e+00 3.80 -1.368320819e+00 -1.368320819e+00 3.82 -1.319980339e+00 -1.319980339e+00 3.84 -1.273968716e+00 -1.273968716e+00 3.86 -1.230168433e+00 -1.230168433e+00 3.88 -1.188453810e+00 -1.188453810e+00 3.90 -1.148695766e+00 -1.148695766e+00 3.92 -1.110764830e+00 -1.110764830e+00 3.94 -1.074538021e+00 -1.074538021e+00 3.96 -1.039895133e+00 -1.039895133e+00 3.98 -1.006724459e+00 -1.006724459e+00 4.00 -9.749225617e-01 -9.749225617e-01 4.02 -9.443946207e-01 -9.443946207e-01 4.04 -9.150543783e-01 -9.150543783e-01 4.06 -8.868238007e-01 -8.868238007e-01 4.08 -8.596325502e-01 -8.596325502e-01 4.10 -8.334146013e-01 -8.334146013e-01 4.12 -8.081190703e-01 -8.081190703e-01 4.14 -7.836914329e-01 -7.836914329e-01 4.16 -7.600855900e-01 -7.600855900e-01 4.18 -7.372598971e-01 -7.372598971e-01 4.20 -7.151766162e-01 -7.151766162e-01 4.22 -6.938014254e-01 -6.938014254e-01 4.24 -6.731029850e-01 -6.731029850e-01 4.26 -6.530525573e-01 -6.530525573e-01 4.28 -6.336236750e-01 -6.336236750e-01 4.30 -6.147918540e-01 -6.147918540e-01 4.32 -5.965343460e-01 -5.965343460e-01 4.34 -5.788299240e-01 -5.788299240e-01 4.36 -5.616586989e-01 -5.616586989e-01 4.38 -5.450019610e-01 -5.450019610e-01 4.40 -5.288420442e-01 -5.288420442e-01 4.42 -5.131622084e-01 -5.131622084e-01 4.44 -4.979465389e-01 -4.979465389e-01 4.46 -4.831798591e-01 -4.831798591e-01 4.48 -4.688476546e-01 -4.688476546e-01 4.50 -4.549360078e-01 -4.549360078e-01 4.52 -4.414315406e-01 -4.414315406e-01 4.54 -4.283213639e-01 -4.283213639e-01 4.56 -4.155930334e-01 -4.155930334e-01 4.58 -4.032345104e-01 -4.032345104e-01 4.60 -3.912341266e-01 -3.912341266e-01 4.62 -3.795805531e-01 -3.795805531e-01 4.64 -3.682627717e-01 -3.682627717e-01 4.66 -3.572700498e-01 -3.572700498e-01 4.68 -3.465919172e-01 -3.465919172e-01 4.70 -3.362181457e-01 -3.362181457e-01 4.72 -3.261387300e-01 -3.261387300e-01 4.74 -3.163438721e-01 -3.163438721e-01 4.76 -3.068239665e-01 -3.068239665e-01 4.78 -2.975695894e-01 -2.975695894e-01 4.80 -2.885699330e-01 -2.885699330e-01 4.82 -2.798192747e-01 -2.798192747e-01 4.84 -2.713068508e-01 -2.713068508e-01 4.86 -2.630239186e-01 -2.630239186e-01 4.88 -2.549619101e-01 -2.549619101e-01 4.90 -2.471124462e-01 -2.471124462e-01 4.92 -2.394673579e-01 -2.394673579e-01 4.94 -2.320187152e-01 -2.320187152e-01 4.96 -2.247588635e-01 -2.247588635e-01 4.98 -2.176804700e-01 -2.176804700e-01 5.00 -2.107765776e-01 -2.107765776e-01 5.02 -2.040406687e-01 -2.040406687e-01 5.04 -1.974667348e-01 -1.974667348e-01 5.06 -1.910493529e-01 -1.910493529e-01 5.08 -1.847837605e-01 -1.847837605e-01 5.10 -1.786659291e-01 -1.786659291e-01 5.12 -1.726926277e-01 -1.726926277e-01 5.14 -1.668614703e-01 -1.668614703e-01 5.16 -1.611709382e-01 -1.611709382e-01 5.18 -1.556203714e-01 -1.556203714e-01 5.20 -1.502099201e-01 -1.502099201e-01 5.22 -1.449404541e-01 -1.449404541e-01 5.24 -1.398134272e-01 -1.398134272e-01 5.26 -1.348306090e-01 -1.348306090e-01 5.28 -1.299935184e-01 -1.299935184e-01 5.30 -1.253043113e-01 -1.253043113e-01 5.32 -1.207649658e-01 -1.207649658e-01 5.34 -1.163769109e-01 -1.163769109e-01 5.36 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