# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Hale-L-M-Wong-B-M-Zimmerman-J-A-Zhou-X-W--Pd-Ag-H-Hybrid # implementation = 2013--Hale-L-M--Pd-Ag-H-Hybrid--LAMMPS--ipr1 # composition = AgHPd2 # 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 2022-05-24 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 3.739796241e+03 3.739796241e+03 1.06 3.478612313e+03 3.478612313e+03 1.08 3.237444955e+03 3.237444955e+03 1.10 3.011826693e+03 3.011826693e+03 1.12 2.800710365e+03 2.800710365e+03 1.14 2.602849140e+03 2.602849140e+03 1.16 2.413606755e+03 2.413606755e+03 1.18 2.232182428e+03 2.232182428e+03 1.20 2.060558352e+03 2.060558352e+03 1.22 1.899235986e+03 1.899235986e+03 1.24 1.746291808e+03 1.746291808e+03 1.26 1.599941447e+03 1.599941447e+03 1.28 1.462223999e+03 1.462223999e+03 1.30 1.334172305e+03 1.334172305e+03 1.32 1.214410641e+03 1.214410641e+03 1.34 1.101856962e+03 1.101856962e+03 1.36 9.953930684e+02 9.953930684e+02 1.38 8.952207519e+02 8.952207519e+02 1.40 8.017529060e+02 8.017529060e+02 1.42 7.142667900e+02 7.142667900e+02 1.44 6.320118389e+02 6.320118389e+02 1.46 5.548560911e+02 5.548560911e+02 1.48 4.821999731e+02 4.821999731e+02 1.50 4.126940448e+02 4.126940448e+02 1.52 3.463718097e+02 3.463718097e+02 1.54 2.843009398e+02 2.843009398e+02 1.56 2.265432483e+02 2.265432483e+02 1.58 1.724887315e+02 1.724887315e+02 1.60 1.212257131e+02 1.212257131e+02 1.62 7.268795652e+01 7.268795652e+01 1.64 3.539613001e+01 3.539613001e+01 1.66 2.505819083e+01 2.505819083e+01 1.68 2.190003098e+01 2.190003098e+01 1.70 2.001704154e+01 2.001704154e+01 1.72 1.835809229e+01 1.835809229e+01 1.74 1.682019173e+01 1.682019173e+01 1.76 1.539633036e+01 1.539633036e+01 1.78 1.407857983e+01 1.407857983e+01 1.80 1.285520285e+01 1.285520285e+01 1.82 1.172058519e+01 1.172058519e+01 1.84 1.067150211e+01 1.067150211e+01 1.86 9.697615844e+00 9.697615844e+00 1.88 8.787895489e+00 8.787895489e+00 1.90 7.925899499e+00 7.925899499e+00 1.92 7.108796916e+00 7.108796916e+00 1.94 6.337535581e+00 6.337535581e+00 1.96 5.611966946e+00 5.611966946e+00 1.98 4.927822888e+00 4.927822888e+00 2.00 4.282977283e+00 4.282977283e+00 2.02 3.674864646e+00 3.674864646e+00 2.04 3.099134601e+00 3.099134601e+00 2.06 2.556406732e+00 2.556406732e+00 2.08 2.043850074e+00 2.043850074e+00 2.10 1.567286674e+00 1.567286674e+00 2.12 1.121741405e+00 1.121741405e+00 2.14 7.057476669e-01 7.057476669e-01 2.16 3.200383662e-01 3.200383662e-01 2.18 -3.801057453e-02 -3.801057453e-02 2.20 -3.695489214e-01 -3.695489214e-01 2.22 -6.757059891e-01 -6.757059891e-01 2.24 -9.574943644e-01 -9.574943644e-01 2.26 -1.215890354e+00 -1.215890354e+00 2.28 -1.451936970e+00 -1.451936970e+00 2.30 -1.667054261e+00 -1.667054261e+00 2.32 -1.863372959e+00 -1.863372959e+00 2.34 -2.039169171e+00 -2.039169171e+00 2.36 -2.193904088e+00 -2.193904088e+00 2.38 -2.329458094e+00 -2.329458094e+00 2.40 -2.447964782e+00 -2.447964782e+00 2.42 -2.551503339e+00 -2.551503339e+00 2.44 -2.641805157e+00 -2.641805157e+00 2.46 -2.719949860e+00 -2.719949860e+00 2.48 -2.787141014e+00 -2.787141014e+00 2.50 -2.843044080e+00 -2.843044080e+00 2.52 -2.888249614e+00 -2.888249614e+00 2.54 -2.923820259e+00 -2.923820259e+00 2.56 -2.950602516e+00 -2.950602516e+00 2.58 -2.969252906e+00 -2.969252906e+00 2.60 -2.980208482e+00 -2.980208482e+00 2.62 -2.983793699e+00 -2.983793699e+00 2.64 -2.980767399e+00 -2.980767399e+00 2.66 -2.972327137e+00 -2.972327137e+00 2.68 -2.959358576e+00 -2.959358576e+00 2.70 -2.939282728e+00 -2.939282728e+00 2.72 -2.912992055e+00 -2.912992055e+00 2.74 -2.881309479e+00 -2.881309479e+00 2.76 -2.845765593e+00 -2.845765593e+00 2.78 -2.808956280e+00 -2.808956280e+00 2.80 -2.772872385e+00 -2.772872385e+00 2.82 -2.731002621e+00 -2.731002621e+00 2.84 -2.685210513e+00 -2.685210513e+00 2.86 -2.635918125e+00 -2.635918125e+00 2.88 -2.583560023e+00 -2.583560023e+00 2.90 -2.528592158e+00 -2.528592158e+00 2.92 -2.471483149e+00 -2.471483149e+00 2.94 -2.412697898e+00 -2.412697898e+00 2.96 -2.352679212e+00 -2.352679212e+00 2.98 -2.291832320e+00 -2.291832320e+00 3.00 -2.230515374e+00 -2.230515374e+00 3.02 -2.169035884e+00 -2.169035884e+00 3.04 -2.107651055e+00 -2.107651055e+00 3.06 -2.046570417e+00 -2.046570417e+00 3.08 -1.985960863e+00 -1.985960863e+00 3.10 -1.925912801e+00 -1.925912801e+00 3.12 -1.866126589e+00 -1.866126589e+00 3.14 -1.806724366e+00 -1.806724366e+00 3.16 -1.748029526e+00 -1.748029526e+00 3.18 -1.690455674e+00 -1.690455674e+00 3.20 -1.634522501e+00 -1.634522501e+00 3.22 -1.580871406e+00 -1.580871406e+00 3.24 -1.530274201e+00 -1.530274201e+00 3.26 -1.483627080e+00 -1.483627080e+00 3.28 -1.441293587e+00 -1.441293587e+00 3.30 -1.399048611e+00 -1.399048611e+00 3.32 -1.357779142e+00 -1.357779142e+00 3.34 -1.317513043e+00 -1.317513043e+00 3.36 -1.278284674e+00 -1.278284674e+00 3.38 -1.240125393e+00 -1.240125393e+00 3.40 -1.203062143e+00 -1.203062143e+00 3.42 -1.167115238e+00 -1.167115238e+00 3.44 -1.132295891e+00 -1.132295891e+00 3.46 -1.098604263e+00 -1.098604263e+00 3.48 -1.066028784e+00 -1.066028784e+00 3.50 -1.034547034e+00 -1.034547034e+00 3.52 -1.004127933e+00 -1.004127933e+00 3.54 -9.747345660e-01 -9.747345660e-01 3.56 -9.463269269e-01 -9.463269269e-01 3.58 -9.188640672e-01 -9.188640672e-01 3.60 -8.923054923e-01 -8.923054923e-01 3.62 -8.666118832e-01 -8.666118832e-01 3.64 -8.417453547e-01 -8.417453547e-01 3.66 -8.176694672e-01 -8.176694672e-01 3.68 -7.943491563e-01 -7.943491563e-01 3.70 -7.717504373e-01 -7.717504373e-01 3.72 -7.498396812e-01 -7.498396812e-01 3.74 -7.285836519e-01 -7.285836519e-01 3.76 -7.079498955e-01 -7.079498955e-01 3.78 -6.879071076e-01 -6.879071076e-01 3.80 -6.684254622e-01 -6.684254622e-01 3.82 -6.494768909e-01 -6.494768909e-01 3.84 -6.310353025e-01 -6.310353025e-01 3.86 -6.130767375e-01 -6.130767375e-01 3.88 -5.955794521e-01 -5.955794521e-01 3.90 -5.785239278e-01 -5.785239278e-01 3.92 -5.618928059e-01 -5.618928059e-01 3.94 -5.456707425e-01 -5.456707425e-01 3.96 -5.298442140e-01 -5.298442140e-01 3.98 -5.144012634e-01 -5.144012634e-01 4.00 -4.993311841e-01 -4.993311841e-01 4.02 -4.846240517e-01 -4.846240517e-01 4.04 -4.700963598e-01 -4.700963598e-01 4.06 -4.551874523e-01 -4.551874523e-01 4.08 -4.399702958e-01 -4.399702958e-01 4.10 -4.245970784e-01 -4.245970784e-01 4.12 -4.092349287e-01 -4.092349287e-01 4.14 -3.940544997e-01 -3.940544997e-01 4.16 -3.792191054e-01 -3.792191054e-01 4.18 -3.648751809e-01 -3.648751809e-01 4.20 -3.511443338e-01 -3.511443338e-01 4.22 -3.381175453e-01 -3.381175453e-01 4.24 -3.258514976e-01 -3.258514976e-01 4.26 -3.143672971e-01 -3.143672971e-01 4.28 -3.036511869e-01 -3.036511869e-01 4.30 -2.935462140e-01 -2.935462140e-01 4.32 -2.836393143e-01 -2.836393143e-01 4.34 -2.738896433e-01 -2.738896433e-01 4.36 -2.642885874e-01 -2.642885874e-01 4.38 -2.548118914e-01 -2.548118914e-01 4.40 -2.452358170e-01 -2.452358170e-01 4.42 -2.355153785e-01 -2.355153785e-01 4.44 -2.256921864e-01 -2.256921864e-01 4.46 -2.158203652e-01 -2.158203652e-01 4.48 -2.059637683e-01 -2.059637683e-01 4.50 -1.961936866e-01 -1.961936866e-01 4.52 -1.865878112e-01 -1.865878112e-01 4.54 -1.772313732e-01 -1.772313732e-01 4.56 -1.682217323e-01 -1.682217323e-01 4.58 -1.596777890e-01 -1.596777890e-01 4.60 -1.517559634e-01 -1.517559634e-01 4.62 -1.446745422e-01 -1.446745422e-01 4.64 -1.383533167e-01 -1.383533167e-01 4.66 -1.317581574e-01 -1.317581574e-01 4.68 -1.251918181e-01 -1.251918181e-01 4.70 -1.186662508e-01 -1.186662508e-01 4.72 -1.122026858e-01 -1.122026858e-01 4.74 -1.058233309e-01 -1.058233309e-01 4.76 -9.955065868e-02 -9.955065868e-02 4.78 -9.340664131e-02 -9.340664131e-02 4.80 -8.741191969e-02 -8.741191969e-02 4.82 -8.158525958e-02 -8.158525958e-02 4.84 -7.594297028e-02 -7.594297028e-02 4.86 -7.049821154e-02 -7.049821154e-02 4.88 -6.526077976e-02 -6.526077976e-02 4.90 -6.023734872e-02 -6.023734872e-02 4.92 -5.543021617e-02 -5.543021617e-02 4.94 -5.083778871e-02 -5.083778871e-02 4.96 -4.645086648e-02 -4.645086648e-02 4.98 -4.223746236e-02 -4.223746236e-02 5.00 -3.818807647e-02 -3.818807647e-02 5.02 -3.429737506e-02 -3.429737506e-02 5.04 -3.055851953e-02 -3.055851953e-02 5.06 -2.697431077e-02 -2.697431077e-02 5.08 -2.359795345e-02 -2.359795345e-02 5.10 -2.042519254e-02 -2.042519254e-02 5.12 -1.743967875e-02 -1.743967875e-02 5.14 -1.462707537e-02 -1.462707537e-02 5.16 -1.197690894e-02 -1.197690894e-02 5.18 -9.484856317e-03 -9.484856317e-03 5.20 -7.155385707e-03 -7.155385707e-03 5.22 -5.006758011e-03 -5.006758011e-03 5.24 -3.070636266e-03 -3.070636266e-03 5.26 -1.392819466e-03 -1.392819466e-03 5.28 -3.982665254e-05 -3.982665254e-05 5.30 8.988123775e-04 8.988123775e-04 5.32 1.309081128e-03 1.309081128e-03 5.34 1.051313207e-03 1.051313207e-03 5.36 5.986191923e-04 5.986191923e-04 5.38 5.438654708e-04 5.438654708e-04 5.40 4.933227219e-04 4.933227219e-04 5.42 4.446420188e-04 4.446420188e-04 5.44 3.979566879e-04 3.979566879e-04 5.46 3.534211250e-04 3.534211250e-04 5.48 3.112049441e-04 3.112049441e-04 5.50 2.714846428e-04 2.714846428e-04 5.52 2.344330280e-04 2.344330280e-04 5.54 2.002070321e-04 2.002070321e-04 5.56 1.689349234e-04 1.689349234e-04 5.58 1.407042269e-04 1.407042269e-04 5.60 1.155517524e-04 1.155517524e-04 5.62 9.345701740e-05 9.345701740e-05 5.64 7.433998290e-05 7.433998290e-05 5.66 5.806340782e-05 5.806340782e-05 5.68 4.443952210e-05 4.443952210e-05 5.70 3.324015003e-05 3.324015003e-05 5.72 2.420898878e-05 2.420898878e-05 5.74 1.707464029e-05 1.707464029e-05 5.76 1.156308596e-05 1.156308596e-05 5.78 7.408572876e-06 7.408572876e-06 5.80 4.362272871e-06 4.362272871e-06 5.82 2.198446371e-06 2.198446371e-06 5.84 7.181889921e-07 7.181889921e-07 5.86 -2.489408000e-07 -2.489408000e-07 5.88 -8.450008881e-07 -8.450008881e-07 5.90 -1.184972793e-06 -1.184972793e-06 5.92 -1.358862694e-06 -1.358862694e-06 5.94 -1.434234765e-06 -1.434234765e-06 5.96 -1.458873772e-06 -1.458873772e-06 5.98 -1.463571912e-06 -1.463571912e-06 6.00 -1.463525000e-06 -1.463525000e-06