# 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 = NiPd2Ta # 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 2.986924226e+02 2.986924226e+02 1.30 2.768486594e+02 2.768486594e+02 1.32 2.566208617e+02 2.566208617e+02 1.34 2.378843725e+02 2.378843725e+02 1.36 2.205216959e+02 2.205216959e+02 1.38 2.044220751e+02 2.044220751e+02 1.40 1.894822486e+02 1.894822486e+02 1.42 1.756071578e+02 1.756071578e+02 1.44 1.627103131e+02 1.627103131e+02 1.46 1.507139456e+02 1.507139456e+02 1.48 1.395487550e+02 1.395487550e+02 1.50 1.291530759e+02 1.291530759e+02 1.52 1.194715463e+02 1.194715463e+02 1.54 1.104535376e+02 1.104535376e+02 1.56 1.020517408e+02 1.020517408e+02 1.58 9.422129565e+01 9.422129565e+01 1.60 8.691963577e+01 8.691963577e+01 1.62 8.010690493e+01 8.010690493e+01 1.64 7.374653108e+01 7.374653108e+01 1.66 6.780551242e+01 6.780551242e+01 1.68 6.225424056e+01 6.225424056e+01 1.70 5.706597705e+01 5.706597705e+01 1.72 5.221680803e+01 5.221680803e+01 1.74 4.768819696e+01 4.768819696e+01 1.76 4.345910452e+01 4.345910452e+01 1.78 3.950897285e+01 3.950897285e+01 1.80 3.583747135e+01 3.583747135e+01 1.82 3.244002557e+01 3.244002557e+01 1.84 2.929715834e+01 2.929715834e+01 1.86 2.639076037e+01 2.639076037e+01 1.88 2.370391063e+01 2.370391063e+01 1.90 2.122079418e+01 2.122079418e+01 1.92 1.892674097e+01 1.892674097e+01 1.94 1.680832967e+01 1.680832967e+01 1.96 1.485343439e+01 1.485343439e+01 1.98 1.305111805e+01 1.305111805e+01 2.00 1.139137720e+01 1.139137720e+01 2.02 9.864833963e+00 9.864833963e+00 2.04 8.462490884e+00 8.462490884e+00 2.06 7.175616013e+00 7.175616013e+00 2.08 5.995755379e+00 5.995755379e+00 2.10 4.914822420e+00 4.914822420e+00 2.12 3.925204933e+00 3.925204933e+00 2.14 3.019846923e+00 3.019846923e+00 2.16 2.192286140e+00 2.192286140e+00 2.18 1.436646537e+00 1.436646537e+00 2.20 7.475956074e-01 7.475956074e-01 2.22 1.202805049e-01 1.202805049e-01 2.24 -4.497440904e-01 -4.497440904e-01 2.26 -9.665871941e-01 -9.665871941e-01 2.28 -1.434087179e+00 -1.434087179e+00 2.30 -1.855869924e+00 -1.855869924e+00 2.32 -2.235396838e+00 -2.235396838e+00 2.34 -2.575997328e+00 -2.575997328e+00 2.36 -2.880873569e+00 -2.880873569e+00 2.38 -3.152954122e+00 -3.152954122e+00 2.40 -3.395277176e+00 -3.395277176e+00 2.42 -3.610770808e+00 -3.610770808e+00 2.44 -3.802093420e+00 -3.802093420e+00 2.46 -3.971635156e+00 -3.971635156e+00 2.48 -4.121532289e+00 -4.121532289e+00 2.50 -4.253532013e+00 -4.253532013e+00 2.52 -4.368910525e+00 -4.368910525e+00 2.54 -4.468857840e+00 -4.468857840e+00 2.56 -4.554490283e+00 -4.554490283e+00 2.58 -4.626823212e+00 -4.626823212e+00 2.60 -4.686764492e+00 -4.686764492e+00 2.62 -4.735125355e+00 -4.735125355e+00 2.64 -4.772641143e+00 -4.772641143e+00 2.66 -4.799992114e+00 -4.799992114e+00 2.68 -4.817825877e+00 -4.817825877e+00 2.70 -4.826770799e+00 -4.826770799e+00 2.72 -4.827442360e+00 -4.827442360e+00 2.74 -4.820443553e+00 -4.820443553e+00 2.76 -4.806360952e+00 -4.806360952e+00 2.78 -4.785909696e+00 -4.785909696e+00 2.80 -4.760072549e+00 -4.760072549e+00 2.82 -4.728990593e+00 -4.728990593e+00 2.84 -4.692772267e+00 -4.692772267e+00 2.86 -4.651579767e+00 -4.651579767e+00 2.88 -4.605624092e+00 -4.605624092e+00 2.90 -4.555159968e+00 -4.555159968e+00 2.92 -4.500478138e+00 -4.500478138e+00 2.94 -4.441894041e+00 -4.441894041e+00 2.96 -4.379761746e+00 -4.379761746e+00 2.98 -4.314485679e+00 -4.314485679e+00 3.00 -4.246436079e+00 -4.246436079e+00 3.02 -4.175931835e+00 -4.175931835e+00 3.04 -4.103239558e+00 -4.103239558e+00 3.06 -4.028578309e+00 -4.028578309e+00 3.08 -3.952128332e+00 -3.952128332e+00 3.10 -3.874041779e+00 -3.874041779e+00 3.12 -3.794453669e+00 -3.794453669e+00 3.14 -3.713491947e+00 -3.713491947e+00 3.16 -3.631286068e+00 -3.631286068e+00 3.18 -3.547973997e+00 -3.547973997e+00 3.20 -3.463707637e+00 -3.463707637e+00 3.22 -3.378656699e+00 -3.378656699e+00 3.24 -3.293010889e+00 -3.293010889e+00 3.26 -3.206980152e+00 -3.206980152e+00 3.28 -3.120792665e+00 -3.120792665e+00 3.30 -3.034690387e+00 -3.034690387e+00 3.32 -2.948922203e+00 -2.948922203e+00 3.34 -2.863735101e+00 -2.863735101e+00 3.36 -2.779364180e+00 -2.779364180e+00 3.38 -2.696022546e+00 -2.696022546e+00 3.40 -2.613892278e+00 -2.613892278e+00 3.42 -2.533117464e+00 -2.533117464e+00 3.44 -2.453800016e+00 -2.453800016e+00 3.46 -2.375998532e+00 -2.375998532e+00 3.48 -2.299730068e+00 -2.299730068e+00 3.50 -2.224974352e+00 -2.224974352e+00 3.52 -2.151679814e+00 -2.151679814e+00 3.54 -2.079770723e+00 -2.079770723e+00 3.56 -2.009154854e+00 -2.009154854e+00 3.58 -1.939731172e+00 -1.939731172e+00 3.60 -1.871397229e+00 -1.871397229e+00 3.62 -1.804056065e+00 -1.804056065e+00 3.64 -1.737622503e+00 -1.737622503e+00 3.66 -1.672028768e+00 -1.672028768e+00 3.68 -1.607229369e+00 -1.607229369e+00 3.70 -1.543205106e+00 -1.543205106e+00 3.72 -1.479966041e+00 -1.479966041e+00 3.74 -1.417553186e+00 -1.417553186e+00 3.76 -1.356038648e+00 -1.356038648e+00 3.78 -1.295523975e+00 -1.295523975e+00 3.80 -1.236136549e+00 -1.236136549e+00 3.82 -1.178024004e+00 -1.178024004e+00 3.84 -1.121346872e+00 -1.121346872e+00 3.86 -1.066269887e+00 -1.066269887e+00 3.88 -1.012952615e+00 -1.012952615e+00 3.90 -9.615402594e-01 -9.615402594e-01 3.92 -9.121555156e-01 -9.121555156e-01 3.94 -8.648923180e-01 -8.648923180e-01 3.96 -8.198120433e-01 -8.198120433e-01 3.98 -7.769424340e-01 -7.769424340e-01 4.00 -7.362791074e-01 -7.362791074e-01 4.02 -6.977891862e-01 -6.977891862e-01 4.04 -6.614163488e-01 -6.614163488e-01 4.06 -6.270865061e-01 -6.270865061e-01 4.08 -5.947133544e-01 -5.947133544e-01 4.10 -5.642032112e-01 -5.642032112e-01 4.12 -5.354587694e-01 -5.354587694e-01 4.14 -5.083816313e-01 -5.083816313e-01 4.16 -4.828737352e-01 -4.828737352e-01 4.18 -4.588379162e-01 -4.588379162e-01 4.20 -4.361779543e-01 -4.361779543e-01 4.22 -4.147984541e-01 -4.147984541e-01 4.24 -3.946048429e-01 -3.946048429e-01 4.26 -3.755036652e-01 -3.755036652e-01 4.28 -3.574032362e-01 -3.574032362e-01 4.30 -3.402146121e-01 -3.402146121e-01 4.32 -3.238527663e-01 -3.238527663e-01 4.34 -3.082378238e-01 -3.082378238e-01 4.36 -2.932962036e-01 -2.932962036e-01 4.38 -2.789615376e-01 -2.789615376e-01 4.40 -2.651752638e-01 -2.651752638e-01 4.42 -2.518868327e-01 -2.518868327e-01 4.44 -2.390535088e-01 -2.390535088e-01 4.46 -2.266397948e-01 -2.266397948e-01 4.48 -2.146165545e-01 -2.146165545e-01 4.50 -2.029599546e-01 -2.029599546e-01 4.52 -1.916503555e-01 -1.916503555e-01 4.54 -1.806713309e-01 -1.806713309e-01 4.56 -1.700089400e-01 -1.700089400e-01 4.58 -1.596513460e-01 -1.596513460e-01 4.60 -1.495888022e-01 -1.495888022e-01 4.62 -1.398139553e-01 -1.398139553e-01 4.64 -1.303223968e-01 -1.303223968e-01 4.66 -1.211132278e-01 -1.211132278e-01 4.68 -1.121895707e-01 -1.121895707e-01 4.70 -1.035593416e-01 -1.035593416e-01 4.72 -9.523477874e-02 -9.523477874e-02 4.74 -8.723193886e-02 -8.723193886e-02 4.76 -7.956978421e-02 -7.956978421e-02 4.78 -7.226888204e-02 -7.226888204e-02 4.80 -6.534984109e-02 -6.534984109e-02 4.82 -5.883165226e-02 -5.883165226e-02 4.84 -5.273010668e-02 -5.273010668e-02 4.86 -4.705646454e-02 -4.705646454e-02 4.88 -4.181649470e-02 -4.181649470e-02 4.90 -3.700995416e-02 -3.700995416e-02 4.92 -3.263053433e-02 -3.263053433e-02 4.94 -2.866621688e-02 -2.866621688e-02 4.96 -2.509996460e-02 -2.509996460e-02 4.98 -2.191062629e-02 -2.191062629e-02 5.00 -1.907396184e-02 -1.907396184e-02 5.02 -1.656368737e-02 -1.656368737e-02 5.04 -1.435217007e-02 -1.435217007e-02 5.06 -1.241176522e-02 -1.241176522e-02 5.08 -1.071577956e-02 -1.071577956e-02 5.10 -9.238438901e-03 -9.238438901e-03 5.12 -7.955353313e-03 -7.955353313e-03 5.14 -6.843825403e-03 -6.843825403e-03 5.16 -5.883024682e-03 -5.883024682e-03 5.18 -5.054055747e-03 -5.054055747e-03 5.20 -4.339946188e-03 -4.339946188e-03 5.22 -3.725577076e-03 -3.725577076e-03 5.24 -3.197575010e-03 -3.197575010e-03 5.26 -2.744180947e-03 -2.744180947e-03 5.28 -2.355107430e-03 -2.355107430e-03 5.30 -2.021392816e-03 -2.021392816e-03 5.32 -1.735258521e-03 -1.735258521e-03 5.34 -1.489973295e-03 -1.489973295e-03 5.36 -1.279726995e-03 -1.279726995e-03 5.38 -1.099515139e-03 -1.099515139e-03 5.40 -9.450347221e-04 -9.450347221e-04 5.42 -8.125911822e-04 -8.125911822e-04 5.44 -6.990160326e-04 -6.990160326e-04 5.46 -6.015944481e-04 -6.015944481e-04 5.48 -5.180019660e-04 -5.180019660e-04 5.50 -4.462494185e-04 -4.462494185e-04 5.52 -3.846352126e-04 -3.846352126e-04 5.54 -3.317041117e-04 -3.317041117e-04 5.56 -2.862117282e-04 -2.862117282e-04 5.58 -2.470940034e-04 -2.470940034e-04 5.60 -2.134410214e-04 -2.134410214e-04 5.62 -1.844745751e-04 -1.844745751e-04 5.64 -1.595289687e-04 -1.595289687e-04 5.66 -1.380346055e-04 -1.380346055e-04 5.68 -1.195039669e-04 -1.195039669e-04 5.70 -1.035196408e-04 -1.035196408e-04 5.72 -8.972410343e-05 -8.972410343e-05 5.74 -7.781100116e-05 -7.781100116e-05 5.76 -6.751771131e-05 -6.751771131e-05 5.78 -5.861899613e-05 -5.861899613e-05 5.80 -5.092158836e-05 -5.092158836e-05 5.82 -4.425957118e-05 -4.425957118e-05 5.84 -3.849043526e-05 -3.849043526e-05 5.86 -3.349171287e-05 -3.349171287e-05 5.88 -2.915810376e-05 -2.915810376e-05 5.90 -2.539902016e-05 -2.539902016e-05 5.92 -2.213648896e-05 -2.213648896e-05 5.94 -1.930335850e-05 -1.930335850e-05 5.96 -1.684176494e-05 -1.684176494e-05 5.98 -1.470182021e-05 -1.470182021e-05 6.00 -1.284048891e-05 -1.284048891e-05