# 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 = AgMgPt2 # 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 3.587171706e+02 3.587171706e+02 1.30 3.338078723e+02 3.338078723e+02 1.32 3.106027053e+02 3.106027053e+02 1.34 2.889749825e+02 2.889749825e+02 1.36 2.688109600e+02 2.688109600e+02 1.38 2.500061320e+02 2.500061320e+02 1.40 2.324631932e+02 2.324631932e+02 1.42 2.160919881e+02 2.160919881e+02 1.44 2.008081829e+02 2.008081829e+02 1.46 1.865320584e+02 1.865320584e+02 1.48 1.731899598e+02 1.731899598e+02 1.50 1.607158959e+02 1.607158959e+02 1.52 1.490501451e+02 1.490501451e+02 1.54 1.381360929e+02 1.381360929e+02 1.56 1.279182822e+02 1.279182822e+02 1.58 1.183424416e+02 1.183424416e+02 1.60 1.093564494e+02 1.093564494e+02 1.62 1.009114066e+02 1.009114066e+02 1.64 9.296285386e+01 9.296285386e+01 1.66 8.547214972e+01 8.547214972e+01 1.68 7.840750555e+01 7.840750555e+01 1.70 7.175182478e+01 7.175182478e+01 1.72 6.558329299e+01 6.558329299e+01 1.74 5.990051497e+01 5.990051497e+01 1.76 5.466942084e+01 5.466942084e+01 1.78 4.985537911e+01 4.985537911e+01 1.80 4.542409407e+01 4.542409407e+01 1.82 4.134338156e+01 4.134338156e+01 1.84 3.758461472e+01 3.758461472e+01 1.86 3.412313434e+01 3.412313434e+01 1.88 3.093757166e+01 3.093757166e+01 1.90 2.800850028e+01 2.800850028e+01 1.92 2.531711667e+01 2.531711667e+01 1.94 2.284459581e+01 2.284459581e+01 1.96 2.057233264e+01 2.057233264e+01 1.98 1.848269147e+01 1.848269147e+01 2.00 1.655968518e+01 1.655968518e+01 2.02 1.478923436e+01 1.478923436e+01 2.04 1.315902746e+01 1.315902746e+01 2.06 1.165819250e+01 1.165819250e+01 2.08 1.027696279e+01 1.027696279e+01 2.10 9.006414819e+00 9.006414819e+00 2.12 7.838284236e+00 7.838284236e+00 2.14 6.764854806e+00 6.764854806e+00 2.16 5.778911813e+00 5.778911813e+00 2.18 4.873744473e+00 4.873744473e+00 2.20 4.043171684e+00 4.043171684e+00 2.22 3.281561185e+00 3.281561185e+00 2.24 2.583828509e+00 2.583828509e+00 2.26 1.945413010e+00 1.945413010e+00 2.28 1.362235074e+00 1.362235074e+00 2.30 8.306412697e-01 8.306412697e-01 2.32 3.473379531e-01 3.473379531e-01 2.34 -9.068046548e-02 -9.068046548e-02 2.36 -4.862071745e-01 -4.862071745e-01 2.38 -8.418964052e-01 -8.418964052e-01 2.40 -1.160329411e+00 -1.160329411e+00 2.42 -1.444067230e+00 -1.444067230e+00 2.44 -1.696109354e+00 -1.696109354e+00 2.46 -1.921431144e+00 -1.921431144e+00 2.48 -2.122302664e+00 -2.122302664e+00 2.50 -2.300603478e+00 -2.300603478e+00 2.52 -2.458310492e+00 -2.458310492e+00 2.54 -2.597433615e+00 -2.597433615e+00 2.56 -2.719930114e+00 -2.719930114e+00 2.58 -2.827610862e+00 -2.827610862e+00 2.60 -2.922061011e+00 -2.922061011e+00 2.62 -3.004595329e+00 -3.004595329e+00 2.64 -3.076256508e+00 -3.076256508e+00 2.66 -3.137846081e+00 -3.137846081e+00 2.68 -3.189975459e+00 -3.189975459e+00 2.70 -3.233118687e+00 -3.233118687e+00 2.72 -3.267658198e+00 -3.267658198e+00 2.74 -3.293919483e+00 -3.293919483e+00 2.76 -3.312195016e+00 -3.312195016e+00 2.78 -3.322759880e+00 -3.322759880e+00 2.80 -3.325883234e+00 -3.325883234e+00 2.82 -3.321837107e+00 -3.321837107e+00 2.84 -3.310908090e+00 -3.310908090e+00 2.86 -3.293411550e+00 -3.293411550e+00 2.88 -3.269709499e+00 -3.269709499e+00 2.90 -3.240230108e+00 -3.240230108e+00 2.92 -3.205484829e+00 -3.205484829e+00 2.94 -3.166077329e+00 -3.166077329e+00 2.96 -3.122698290e+00 -3.122698290e+00 2.98 -3.076108061e+00 -3.076108061e+00 3.00 -3.027154946e+00 -3.027154946e+00 3.02 -2.976563003e+00 -2.976563003e+00 3.04 -2.924954305e+00 -2.924954305e+00 3.06 -2.872847502e+00 -2.872847502e+00 3.08 -2.820635602e+00 -2.820635602e+00 3.10 -2.768584660e+00 -2.768584660e+00 3.12 -2.716847068e+00 -2.716847068e+00 3.14 -2.665485491e+00 -2.665485491e+00 3.16 -2.614497050e+00 -2.614497050e+00 3.18 -2.563838708e+00 -2.563838708e+00 3.20 -2.513449219e+00 -2.513449219e+00 3.22 -2.463263850e+00 -2.463263850e+00 3.24 -2.413221936e+00 -2.413221936e+00 3.26 -2.363309965e+00 -2.363309965e+00 3.28 -2.313610029e+00 -2.313610029e+00 3.30 -2.264206089e+00 -2.264206089e+00 3.32 -2.215172847e+00 -2.215172847e+00 3.34 -2.166579295e+00 -2.166579295e+00 3.36 -2.118490424e+00 -2.118490424e+00 3.38 -2.070967845e+00 -2.070967845e+00 3.40 -2.024069805e+00 -2.024069805e+00 3.42 -1.977851124e+00 -1.977851124e+00 3.44 -1.932362630e+00 -1.932362630e+00 3.46 -1.887650887e+00 -1.887650887e+00 3.48 -1.843757619e+00 -1.843757619e+00 3.50 -1.800729419e+00 -1.800729419e+00 3.52 -1.758597325e+00 -1.758597325e+00 3.54 -1.717375784e+00 -1.717375784e+00 3.56 -1.677074108e+00 -1.677074108e+00 3.58 -1.637695979e+00 -1.637695979e+00 3.60 -1.599239167e+00 -1.599239167e+00 3.62 -1.561695425e+00 -1.561695425e+00 3.64 -1.525050565e+00 -1.525050565e+00 3.66 -1.489284710e+00 -1.489284710e+00 3.68 -1.454372711e+00 -1.454372711e+00 3.70 -1.420283741e+00 -1.420283741e+00 3.72 -1.386972836e+00 -1.386972836e+00 3.74 -1.354386770e+00 -1.354386770e+00 3.76 -1.322473103e+00 -1.322473103e+00 3.78 -1.291180985e+00 -1.291180985e+00 3.80 -1.260461954e+00 -1.260461954e+00 3.82 -1.230270715e+00 -1.230270715e+00 3.84 -1.200565814e+00 -1.200565814e+00 3.86 -1.171310163e+00 -1.171310163e+00 3.88 -1.142471373e+00 -1.142471373e+00 3.90 -1.114021901e+00 -1.114021901e+00 3.92 -1.085938971e+00 -1.085938971e+00 3.94 -1.058204854e+00 -1.058204854e+00 3.96 -1.030806237e+00 -1.030806237e+00 3.98 -1.003734614e+00 -1.003734614e+00 4.00 -9.769862854e-01 -9.769862854e-01 4.02 -9.505625875e-01 -9.505625875e-01 4.04 -9.244701851e-01 -9.244701851e-01 4.06 -8.987213565e-01 -8.987213565e-01 4.08 -8.733341429e-01 -8.733341429e-01 4.10 -8.483320719e-01 -8.483320719e-01 4.12 -8.237442761e-01 -8.237442761e-01 4.14 -7.996034297e-01 -7.996034297e-01 4.16 -7.759449168e-01 -7.759449168e-01 4.18 -7.528046009e-01 -7.528046009e-01 4.20 -7.302164825e-01 -7.302164825e-01 4.22 -7.082102910e-01 -7.082102910e-01 4.24 -6.868092850e-01 -6.868092850e-01 4.26 -6.660285185e-01 -6.660285185e-01 4.28 -6.458737470e-01 -6.458737470e-01 4.30 -6.263410388e-01 -6.263410388e-01 4.32 -6.074170352e-01 -6.074170352e-01 4.34 -5.890797177e-01 -5.890797177e-01 4.36 -5.712994913e-01 -5.712994913e-01 4.38 -5.540404000e-01 -5.540404000e-01 4.40 -5.372613288e-01 -5.372613288e-01 4.42 -5.209171012e-01 -5.209171012e-01 4.44 -5.049594394e-01 -5.049594394e-01 4.46 -4.893377926e-01 -4.893377926e-01 4.48 -4.740000687e-01 -4.740000687e-01 4.50 -4.588933149e-01 -4.588933149e-01 4.52 -4.439643946e-01 -4.439643946e-01 4.54 -4.291607076e-01 -4.291607076e-01 4.56 -4.144309949e-01 -4.144309949e-01 4.58 -3.997262667e-01 -3.997262667e-01 4.60 -3.850008848e-01 -3.850008848e-01 4.62 -3.702138191e-01 -3.702138191e-01 4.64 -3.553300838e-01 -3.553300838e-01 4.66 -3.403223333e-01 -3.403223333e-01 4.68 -3.251725700e-01 -3.251725700e-01 4.70 -3.098738730e-01 -3.098738730e-01 4.72 -2.944320221e-01 -2.944320221e-01 4.74 -2.788668515e-01 -2.788668515e-01 4.76 -2.632131391e-01 -2.632131391e-01 4.78 -2.475208354e-01 -2.475208354e-01 4.80 -2.318542783e-01 -2.318542783e-01 4.82 -2.162913675e-01 -2.162913675e-01 4.84 -2.009198615e-01 -2.009198615e-01 4.86 -1.858347423e-01 -1.858347423e-01 4.88 -1.711338711e-01 -1.711338711e-01 4.90 -1.569134831e-01 -1.569134831e-01 4.92 -1.432636908e-01 -1.432636908e-01 4.94 -1.302643941e-01 -1.302643941e-01 4.96 -1.179819439e-01 -1.179819439e-01 4.98 -1.064668149e-01 -1.064668149e-01 5.00 -9.575240976e-02 -9.575240976e-02 5.02 -8.585498412e-02 -8.585498412e-02 5.04 -7.677456396e-02 -7.677456396e-02 5.06 -6.849664389e-02 -6.849664389e-02 5.08 -6.099441418e-02 -6.099441418e-02 5.10 -5.423126208e-02 -5.423126208e-02 5.12 -4.816332216e-02 -4.816332216e-02 5.14 -4.274189727e-02 -4.274189727e-02 5.16 -3.791562719e-02 -3.791562719e-02 5.18 -3.363233335e-02 -3.363233335e-02 5.20 -2.984049292e-02 -2.984049292e-02 5.22 -2.649039823e-02 -2.649039823e-02 5.24 -2.353498075e-02 -2.353498075e-02 5.26 -2.093012081e-02 -2.093012081e-02 5.28 -1.863465590e-02 -1.863465590e-02 5.30 -1.661253419e-02 -1.661253419e-02 5.32 -1.483102660e-02 -1.483102660e-02 5.34 -1.326062845e-02 -1.326062845e-02 5.36 -1.187527227e-02 -1.187527227e-02 5.38 -1.065188231e-02 -1.065188231e-02 5.40 -9.570174347e-03 -9.570174347e-03 5.42 -8.612499798e-03 -8.612499798e-03 5.44 -7.763599304e-03 -7.763599304e-03 5.46 -7.010053369e-03 -7.010053369e-03 5.48 -6.340255254e-03 -6.340255254e-03 5.50 -5.744179343e-03 -5.744179343e-03 5.52 -5.213156120e-03 -5.213156120e-03 5.54 -4.739669030e-03 -4.739669030e-03 5.56 -4.317175231e-03 -4.317175231e-03 5.58 -3.939951052e-03 -3.939951052e-03 5.60 -3.602961784e-03 -3.602961784e-03 5.62 -3.301754332e-03 -3.301754332e-03 5.64 -3.032370407e-03 -3.032370407e-03 5.66 -2.791277349e-03 -2.791277349e-03 5.68 -2.575313400e-03 -2.575313400e-03 5.70 -2.381644307e-03 -2.381644307e-03 5.72 -2.207728427e-03 -2.207728427e-03 5.74 -2.051287945e-03 -2.051287945e-03 5.76 -1.910284363e-03 -1.910284363e-03 5.78 -1.782896903e-03 -1.782896903e-03 5.80 -1.667502907e-03 -1.667502907e-03 5.82 -1.562659698e-03 -1.562659698e-03 5.84 -1.467087610e-03 -1.467087610e-03 5.86 -1.379654054e-03 -1.379654054e-03 5.88 -1.299358617e-03 -1.299358617e-03 5.90 -1.225319225e-03 -1.225319225e-03 5.92 -1.156759401e-03 -1.156759401e-03 5.94 -1.092996677e-03 -1.092996677e-03 5.96 -1.033432164e-03 -1.033432164e-03 5.98 -9.775412776e-04 -9.775412776e-04 6.00 -9.248655991e-04 -9.248655991e-04