# 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 = Au2CoNi # 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 2.311336104e+02 2.311336104e+02 1.30 2.134266235e+02 2.134266235e+02 1.32 1.970607329e+02 1.970607329e+02 1.34 1.819288007e+02 1.819288007e+02 1.36 1.679328216e+02 1.679328216e+02 1.38 1.549821375e+02 1.549821375e+02 1.40 1.429930625e+02 1.429930625e+02 1.42 1.318889293e+02 1.318889293e+02 1.44 1.215999521e+02 1.215999521e+02 1.46 1.120628361e+02 1.120628361e+02 1.48 1.032201070e+02 1.032201070e+02 1.50 9.501929417e+01 9.501929417e+01 1.52 8.741218701e+01 8.741218701e+01 1.54 8.035415419e+01 8.035415419e+01 1.56 7.380353182e+01 7.380353182e+01 1.58 6.772126230e+01 6.772126230e+01 1.60 6.207087044e+01 6.207087044e+01 1.62 5.681863881e+01 5.681863881e+01 1.64 5.193373336e+01 5.193373336e+01 1.66 4.738810116e+01 4.738810116e+01 1.68 4.315621140e+01 4.315621140e+01 1.70 3.923182371e+01 3.923182371e+01 1.72 3.560543183e+01 3.560543183e+01 1.74 3.225531036e+01 3.225531036e+01 1.76 2.916118837e+01 2.916118837e+01 1.78 2.630465046e+01 2.630465046e+01 1.80 2.366887932e+01 2.366887932e+01 1.82 2.123827298e+01 2.123827298e+01 1.84 1.899816770e+01 1.899816770e+01 1.86 1.693473961e+01 1.693473961e+01 1.88 1.503502653e+01 1.503502653e+01 1.90 1.328695775e+01 1.328695775e+01 1.92 1.167932620e+01 1.167932620e+01 1.94 1.020170633e+01 1.020170633e+01 1.96 8.844354139e+00 8.844354139e+00 1.98 7.598126025e+00 7.598126025e+00 2.00 6.454440181e+00 6.454440181e+00 2.02 5.405285321e+00 5.405285321e+00 2.04 4.443255657e+00 4.443255657e+00 2.06 3.561574710e+00 3.561574710e+00 2.08 2.754081014e+00 2.754081014e+00 2.10 2.015176138e+00 2.015176138e+00 2.12 1.339754010e+00 1.339754010e+00 2.14 7.231307143e-01 7.231307143e-01 2.16 1.609850397e-01 1.609850397e-01 2.18 -3.506877353e-01 -3.506877353e-01 2.20 -8.156099995e-01 -8.156099995e-01 2.22 -1.237245791e+00 -1.237245791e+00 2.24 -1.618816182e+00 -1.618816182e+00 2.26 -1.963308298e+00 -1.963308298e+00 2.28 -2.273482266e+00 -2.273482266e+00 2.30 -2.551881834e+00 -2.551881834e+00 2.32 -2.800852500e+00 -2.800852500e+00 2.34 -3.022565984e+00 -3.022565984e+00 2.36 -3.219045228e+00 -3.219045228e+00 2.38 -3.392183476e+00 -3.392183476e+00 2.40 -3.543754877e+00 -3.543754877e+00 2.42 -3.675419181e+00 -3.675419181e+00 2.44 -3.788725611e+00 -3.788725611e+00 2.46 -3.885119638e+00 -3.885119638e+00 2.48 -3.965953256e+00 -3.965953256e+00 2.50 -4.032497197e+00 -4.032497197e+00 2.52 -4.085954534e+00 -4.085954534e+00 2.54 -4.127515474e+00 -4.127515474e+00 2.56 -4.158257231e+00 -4.158257231e+00 2.58 -4.179187171e+00 -4.179187171e+00 2.60 -4.191319768e+00 -4.191319768e+00 2.62 -4.195743765e+00 -4.195743765e+00 2.64 -4.193174409e+00 -4.193174409e+00 2.66 -4.184245865e+00 -4.184245865e+00 2.68 -4.169500113e+00 -4.169500113e+00 2.70 -4.149245085e+00 -4.149245085e+00 2.72 -4.123728192e+00 -4.123728192e+00 2.74 -4.093217623e+00 -4.093217623e+00 2.76 -4.057995798e+00 -4.057995798e+00 2.78 -4.018343673e+00 -4.018343673e+00 2.80 -3.974548515e+00 -3.974548515e+00 2.82 -3.926899246e+00 -3.926899246e+00 2.84 -3.875678902e+00 -3.875678902e+00 2.86 -3.821160293e+00 -3.821160293e+00 2.88 -3.763605219e+00 -3.763605219e+00 2.90 -3.703266686e+00 -3.703266686e+00 2.92 -3.640393265e+00 -3.640393265e+00 2.94 -3.575234711e+00 -3.575234711e+00 2.96 -3.508048073e+00 -3.508048073e+00 2.98 -3.439103303e+00 -3.439103303e+00 3.00 -3.368687089e+00 -3.368687089e+00 3.02 -3.297103383e+00 -3.297103383e+00 3.04 -3.224669345e+00 -3.224669345e+00 3.06 -3.151706369e+00 -3.151706369e+00 3.08 -3.078527286e+00 -3.078527286e+00 3.10 -3.005422305e+00 -3.005422305e+00 3.12 -2.932646793e+00 -2.932646793e+00 3.14 -2.860413493e+00 -2.860413493e+00 3.16 -2.788890275e+00 -2.788890275e+00 3.18 -2.718202999e+00 -2.718202999e+00 3.20 -2.648441861e+00 -2.648441861e+00 3.22 -2.579669318e+00 -2.579669318e+00 3.24 -2.511927934e+00 -2.511927934e+00 3.26 -2.445247081e+00 -2.445247081e+00 3.28 -2.379648056e+00 -2.379648056e+00 3.30 -2.315147567e+00 -2.315147567e+00 3.32 -2.251759867e+00 -2.251759867e+00 3.34 -2.189497824e+00 -2.189497824e+00 3.36 -2.128373284e+00 -2.128373284e+00 3.38 -2.068396980e+00 -2.068396980e+00 3.40 -2.009578189e+00 -2.009578189e+00 3.42 -1.951924287e+00 -1.951924287e+00 3.44 -1.895440295e+00 -1.895440295e+00 3.46 -1.840128497e+00 -1.840128497e+00 3.48 -1.785988156e+00 -1.785988156e+00 3.50 -1.733015389e+00 -1.733015389e+00 3.52 -1.681203168e+00 -1.681203168e+00 3.54 -1.630541468e+00 -1.630541468e+00 3.56 -1.581017523e+00 -1.581017523e+00 3.58 -1.532616154e+00 -1.532616154e+00 3.60 -1.485320150e+00 -1.485320150e+00 3.62 -1.439110664e+00 -1.439110664e+00 3.64 -1.393967632e+00 -1.393967632e+00 3.66 -1.349870224e+00 -1.349870224e+00 3.68 -1.306797339e+00 -1.306797339e+00 3.70 -1.264728175e+00 -1.264728175e+00 3.72 -1.223642875e+00 -1.223642875e+00 3.74 -1.183523239e+00 -1.183523239e+00 3.76 -1.144353435e+00 -1.144353435e+00 3.78 -1.106120655e+00 -1.106120655e+00 3.80 -1.068815564e+00 -1.068815564e+00 3.82 -1.032432449e+00 -1.032432449e+00 3.84 -9.969689358e-01 -9.969689358e-01 3.86 -9.624252171e-01 -9.624252171e-01 3.88 -9.288027966e-01 -9.288027966e-01 3.90 -8.961028618e-01 -8.961028618e-01 3.92 -8.643244798e-01 -8.643244798e-01 3.94 -8.334628748e-01 -8.334628748e-01 3.96 -8.035080301e-01 -8.035080301e-01 3.98 -7.744438279e-01 -7.744438279e-01 4.00 -7.462478132e-01 -7.462478132e-01 4.02 -7.188915788e-01 -7.188915788e-01 4.04 -6.923416730e-01 -6.923416730e-01 4.06 -6.665608836e-01 -6.665608836e-01 4.08 -6.415097445e-01 -6.415097445e-01 4.10 -6.171481278e-01 -6.171481278e-01 4.12 -5.934368348e-01 -5.934368348e-01 4.14 -5.703390908e-01 -5.703390908e-01 4.16 -5.478219326e-01 -5.478219326e-01 4.18 -5.258574133e-01 -5.258574133e-01 4.20 -5.044235830e-01 -5.044235830e-01 4.22 -4.835051743e-01 -4.835051743e-01 4.24 -4.630939166e-01 -4.630939166e-01 4.26 -4.431884157e-01 -4.431884157e-01 4.28 -4.237935638e-01 -4.237935638e-01 4.30 -4.049195026e-01 -4.049195026e-01 4.32 -3.865802259e-01 -3.865802259e-01 4.34 -3.687919694e-01 -3.687919694e-01 4.36 -3.515715659e-01 -3.515715659e-01 4.38 -3.349349421e-01 -3.349349421e-01 4.40 -3.188958818e-01 -3.188958818e-01 4.42 -3.034651112e-01 -3.034651112e-01 4.44 -2.886496860e-01 -2.886496860e-01 4.46 -2.744526067e-01 -2.744526067e-01 4.48 -2.608725697e-01 -2.608725697e-01 4.50 -2.479037815e-01 -2.479037815e-01 4.52 -2.355358054e-01 -2.355358054e-01 4.54 -2.237534571e-01 -2.237534571e-01 4.56 -2.125368015e-01 -2.125368015e-01 4.58 -2.018613098e-01 -2.018613098e-01 4.60 -1.916982271e-01 -1.916982271e-01 4.62 -1.820151658e-01 -1.820151658e-01 4.64 -1.727769076e-01 -1.727769076e-01 4.66 -1.639463679e-01 -1.639463679e-01 4.68 -1.554856588e-01 -1.554856588e-01 4.70 -1.473571874e-01 -1.473571874e-01 4.72 -1.395247325e-01 -1.395247325e-01 4.74 -1.319544580e-01 -1.319544580e-01 4.76 -1.246158353e-01 -1.246158353e-01 4.78 -1.174824555e-01 -1.174824555e-01 4.80 -1.105327163e-01 -1.105327163e-01 4.82 -1.037503733e-01 -1.037503733e-01 4.84 -9.712491442e-02 -9.712491442e-02 4.86 -9.065175041e-02 -9.065175041e-02 4.88 -8.433216879e-02 -8.433216879e-02 4.90 -7.817302448e-02 -7.817302448e-02 4.92 -7.218614313e-02 -7.218614313e-02 4.94 -6.638743641e-02 -6.638743641e-02 4.96 -6.079575592e-02 -6.079575592e-02 4.98 -5.543131066e-02 -5.543131066e-02 5.00 -5.031467540e-02 -5.031467540e-02 5.02 -4.546533606e-02 -4.546533606e-02 5.04 -4.090013174e-02 -4.090013174e-02 5.06 -3.663218553e-02 -3.663218553e-02 5.08 -3.267014975e-02 -3.267014975e-02 5.10 -2.901780574e-02 -2.901780574e-02 5.12 -2.567401443e-02 -2.567401443e-02 5.14 -2.263298130e-02 -2.263298130e-02 5.16 -1.988477111e-02 -1.988477111e-02 5.18 -1.741599165e-02 -1.741599165e-02 5.20 -1.521054241e-02 -1.521054241e-02 5.22 -1.325013795e-02 -1.325013795e-02 5.24 -1.151580805e-02 -1.151580805e-02 5.26 -9.988172406e-03 -9.988172406e-03 5.28 -8.647856475e-03 -8.647856475e-03 5.30 -7.475978528e-03 -7.475978528e-03 5.32 -6.454514203e-03 -6.454514203e-03 5.34 -5.566549696e-03 -5.566549696e-03 5.36 -4.796439133e-03 -4.796439133e-03 5.38 -4.129883406e-03 -4.129883406e-03 5.40 -3.553947553e-03 -3.553947553e-03 5.42 -3.057032306e-03 -3.057032306e-03 5.44 -2.628813340e-03 -2.628813340e-03 5.46 -2.260159407e-03 -2.260159407e-03 5.48 -1.943038214e-03 -1.943038214e-03 5.50 -1.670416847e-03 -1.670416847e-03 5.52 -1.436161709e-03 -1.436161709e-03 5.54 -1.234941448e-03 -1.234941448e-03 5.56 -1.062135191e-03 -1.062135191e-03 5.58 -9.137474573e-04 -9.137474573e-04 5.60 -7.863304574e-04 -7.863304574e-04 5.62 -6.769139976e-04 -6.769139976e-04 5.64 -5.829428556e-04 -5.829428556e-04 5.66 -5.022212789e-04 -5.022212789e-04 5.68 -4.328641211e-04 -4.328641211e-04 5.70 -3.732540531e-04 -3.732540531e-04 5.72 -3.220042676e-04 -3.220042676e-04 5.74 -2.779260908e-04 -2.779260908e-04 5.76 -2.400009471e-04 -2.400009471e-04 5.78 -2.073561525e-04 -2.073561525e-04 5.80 -1.792440618e-04 -1.792440618e-04 5.82 -1.550241355e-04 -1.550241355e-04 5.84 -1.341475409e-04 -1.341475409e-04 5.86 -1.161439450e-04 -1.161439450e-04 5.88 -1.006101978e-04 -1.006101978e-04 5.90 -8.720064330e-05 -8.720064330e-05 5.92 -7.561882822e-05 -7.561882822e-05 5.94 -6.561041052e-05 -6.561041052e-05 5.96 -5.695709519e-05 -5.695709519e-05 5.98 -4.947144996e-05 -4.947144996e-05 6.00 -4.299247338e-05 -4.299247338e-05