# 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 = Ni2PbTa # 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 2.625406233e+02 2.625406233e+02 1.30 2.436873747e+02 2.436873747e+02 1.32 2.261961015e+02 2.261961015e+02 1.34 2.099556065e+02 2.099556065e+02 1.36 1.948672370e+02 1.948672370e+02 1.38 1.808425010e+02 1.808425010e+02 1.40 1.678016479e+02 1.678016479e+02 1.42 1.556731618e+02 1.556731618e+02 1.44 1.443930974e+02 1.443930974e+02 1.46 1.339038190e+02 1.339038190e+02 1.48 1.241524388e+02 1.241524388e+02 1.50 1.150892443e+02 1.150892443e+02 1.52 1.066663142e+02 1.066663142e+02 1.54 9.883671750e+01 9.883671750e+01 1.56 9.155463643e+01 9.155463643e+01 1.58 8.477628097e+01 8.477628097e+01 1.60 7.846100066e+01 7.846100066e+01 1.62 7.257210111e+01 7.257210111e+01 1.64 6.707708055e+01 6.707708055e+01 1.66 6.194728829e+01 6.194728829e+01 1.68 5.715718086e+01 5.715718086e+01 1.70 5.268350985e+01 5.268350985e+01 1.72 4.850549432e+01 4.850549432e+01 1.74 4.460713358e+01 4.460713358e+01 1.76 4.096975645e+01 4.096975645e+01 1.78 3.757799394e+01 3.757799394e+01 1.80 3.442082205e+01 3.442082205e+01 1.82 3.148339877e+01 3.148339877e+01 1.84 2.875211125e+01 2.875211125e+01 1.86 2.621448974e+01 2.621448974e+01 1.88 2.385892234e+01 2.385892234e+01 1.90 2.167436117e+01 2.167436117e+01 1.92 1.965005478e+01 1.965005478e+01 1.94 1.777536778e+01 1.777536778e+01 1.96 1.603971605e+01 1.603971605e+01 1.98 1.443264321e+01 1.443264321e+01 2.00 1.294400154e+01 1.294400154e+01 2.02 1.156418547e+01 1.156418547e+01 2.04 1.028435116e+01 1.028435116e+01 2.06 9.096569826e+00 9.096569826e+00 2.08 7.993882464e+00 7.993882464e+00 2.10 6.970254609e+00 6.970254609e+00 2.12 6.020456551e+00 6.020456551e+00 2.14 5.139902517e+00 5.139902517e+00 2.16 4.324488353e+00 4.324488353e+00 2.18 3.570449659e+00 3.570449659e+00 2.20 2.874248362e+00 2.874248362e+00 2.22 2.232495031e+00 2.232495031e+00 2.24 1.641900847e+00 1.641900847e+00 2.26 1.099254032e+00 1.099254032e+00 2.28 6.014064555e-01 6.014064555e-01 2.30 1.452673088e-01 1.452673088e-01 2.32 -2.722136262e-01 -2.722136262e-01 2.34 -6.540455753e-01 -6.540455753e-01 2.36 -1.003174299e+00 -1.003174299e+00 2.38 -1.322305991e+00 -1.322305991e+00 2.40 -1.614286934e+00 -1.614286934e+00 2.42 -1.881783169e+00 -1.881783169e+00 2.44 -2.127106569e+00 -2.127106569e+00 2.46 -2.352209799e+00 -2.352209799e+00 2.48 -2.558716660e+00 -2.558716660e+00 2.50 -2.747829824e+00 -2.747829824e+00 2.52 -2.920340058e+00 -2.920340058e+00 2.54 -3.077001347e+00 -3.077001347e+00 2.56 -3.218563083e+00 -3.218563083e+00 2.58 -3.345765679e+00 -3.345765679e+00 2.60 -3.459340198e+00 -3.459340198e+00 2.62 -3.560009749e+00 -3.560009749e+00 2.64 -3.648494684e+00 -3.648494684e+00 2.66 -3.725513076e+00 -3.725513076e+00 2.68 -3.791787547e+00 -3.791787547e+00 2.70 -3.848042043e+00 -3.848042043e+00 2.72 -3.895001913e+00 -3.895001913e+00 2.74 -3.933387981e+00 -3.933387981e+00 2.76 -3.963902826e+00 -3.963902826e+00 2.78 -3.987214042e+00 -3.987214042e+00 2.80 -4.003939065e+00 -4.003939065e+00 2.82 -4.014633817e+00 -4.014633817e+00 2.84 -4.019788382e+00 -4.019788382e+00 2.86 -4.019737698e+00 -4.019737698e+00 2.88 -4.014650810e+00 -4.014650810e+00 2.90 -4.004694650e+00 -4.004694650e+00 2.92 -3.990048535e+00 -3.990048535e+00 2.94 -3.970904031e+00 -3.970904031e+00 2.96 -3.947463771e+00 -3.947463771e+00 2.98 -3.919939332e+00 -3.919939332e+00 3.00 -3.888548437e+00 -3.888548437e+00 3.02 -3.853511847e+00 -3.853511847e+00 3.04 -3.815049235e+00 -3.815049235e+00 3.06 -3.773380256e+00 -3.773380256e+00 3.08 -3.728715636e+00 -3.728715636e+00 3.10 -3.681259940e+00 -3.681259940e+00 3.12 -3.631208921e+00 -3.631208921e+00 3.14 -3.578751699e+00 -3.578751699e+00 3.16 -3.524068236e+00 -3.524068236e+00 3.18 -3.467354225e+00 -3.467354225e+00 3.20 -3.408813363e+00 -3.408813363e+00 3.22 -3.348529297e+00 -3.348529297e+00 3.24 -3.286592593e+00 -3.286592593e+00 3.26 -3.223113282e+00 -3.223113282e+00 3.28 -3.158222692e+00 -3.158222692e+00 3.30 -3.092059848e+00 -3.092059848e+00 3.32 -3.024751795e+00 -3.024751795e+00 3.34 -2.956450281e+00 -2.956450281e+00 3.36 -2.887332201e+00 -2.887332201e+00 3.38 -2.817590171e+00 -2.817590171e+00 3.40 -2.747420801e+00 -2.747420801e+00 3.42 -2.677013268e+00 -2.677013268e+00 3.44 -2.606537006e+00 -2.606537006e+00 3.46 -2.536133804e+00 -2.536133804e+00 3.48 -2.465912242e+00 -2.465912242e+00 3.50 -2.395946057e+00 -2.395946057e+00 3.52 -2.326276036e+00 -2.326276036e+00 3.54 -2.256914827e+00 -2.256914827e+00 3.56 -2.187853869e+00 -2.187853869e+00 3.58 -2.119071568e+00 -2.119071568e+00 3.60 -2.050541943e+00 -2.050541943e+00 3.62 -1.982243070e+00 -1.982243070e+00 3.64 -1.914164864e+00 -1.914164864e+00 3.66 -1.846315828e+00 -1.846315828e+00 3.68 -1.778728551e+00 -1.778728551e+00 3.70 -1.711463761e+00 -1.711463761e+00 3.72 -1.644612799e+00 -1.644612799e+00 3.74 -1.578298379e+00 -1.578298379e+00 3.76 -1.512673540e+00 -1.512673540e+00 3.78 -1.447918698e+00 -1.447918698e+00 3.80 -1.384236830e+00 -1.384236830e+00 3.82 -1.321846833e+00 -1.321846833e+00 3.84 -1.260975304e+00 -1.260975304e+00 3.86 -1.201847082e+00 -1.201847082e+00 3.88 -1.144675125e+00 -1.144675125e+00 3.90 -1.089650460e+00 -1.089650460e+00 3.92 -1.036932575e+00 -1.036932575e+00 3.94 -9.866441353e-01 -9.866441353e-01 3.96 -9.388629417e-01 -9.388629417e-01 3.98 -8.936222851e-01 -8.936222851e-01 4.00 -8.509113696e-01 -8.509113696e-01 4.02 -8.106789191e-01 -8.106789191e-01 4.04 -7.728387291e-01 -7.728387291e-01 4.06 -7.372763927e-01 -7.372763927e-01 4.08 -7.038564383e-01 -7.038564383e-01 4.10 -6.724281658e-01 -6.724281658e-01 4.12 -6.428363894e-01 -6.428363894e-01 4.14 -6.149196718e-01 -6.149196718e-01 4.16 -5.885196077e-01 -5.885196077e-01 4.18 -5.634828676e-01 -5.634828676e-01 4.20 -5.396637359e-01 -5.396637359e-01 4.22 -5.169260011e-01 -5.169260011e-01 4.24 -4.951443767e-01 -4.951443767e-01 4.26 -4.742056165e-01 -4.742056165e-01 4.28 -4.540094533e-01 -4.540094533e-01 4.30 -4.344694424e-01 -4.344694424e-01 4.32 -4.155137413e-01 -4.155137413e-01 4.34 -3.970857936e-01 -3.970857936e-01 4.36 -3.791448316e-01 -3.791448316e-01 4.38 -3.616660644e-01 -3.616660644e-01 4.40 -3.446403880e-01 -3.446403880e-01 4.42 -3.280734554e-01 -3.280734554e-01 4.44 -3.119839870e-01 -3.119839870e-01 4.46 -2.964012786e-01 -2.964012786e-01 4.48 -2.813619815e-01 -2.813619815e-01 4.50 -2.669063517e-01 -2.669063517e-01 4.52 -2.530742811e-01 -2.530742811e-01 4.54 -2.399014853e-01 -2.399014853e-01 4.56 -2.274162276e-01 -2.274162276e-01 4.58 -2.156368875e-01 -2.156368875e-01 4.60 -2.045705547e-01 -2.045705547e-01 4.62 -1.942126899e-01 -1.942126899e-01 4.64 -1.845477542e-01 -1.845477542e-01 4.66 -1.755505824e-01 -1.755505824e-01 4.68 -1.671882343e-01 -1.671882343e-01 4.70 -1.594220748e-01 -1.594220748e-01 4.72 -1.522098216e-01 -1.522098216e-01 4.74 -1.455067295e-01 -1.455067295e-01 4.76 -1.392689675e-01 -1.392689675e-01 4.78 -1.334540655e-01 -1.334540655e-01 4.80 -1.280205032e-01 -1.280205032e-01 4.82 -1.229317791e-01 -1.229317791e-01 4.84 -1.181516709e-01 -1.181516709e-01 4.86 -1.136480475e-01 -1.136480475e-01 4.88 -1.093919416e-01 -1.093919416e-01 4.90 -1.053574504e-01 -1.053574504e-01 4.92 -1.015215582e-01 -1.015215582e-01 4.94 -9.786391860e-02 -9.786391860e-02 4.96 -9.436662026e-02 -9.436662026e-02 4.98 -9.101395499e-02 -9.101395499e-02 5.00 -8.779219864e-02 -8.779219864e-02 5.02 -8.468941259e-02 -8.468941259e-02 5.04 -8.169526889e-02 -8.169526889e-02 5.06 -7.880089916e-02 -7.880089916e-02 5.08 -7.599876663e-02 -7.599876663e-02 5.10 -7.328255686e-02 -7.328255686e-02 5.12 -7.064708188e-02 -7.064708188e-02 5.14 -6.808819389e-02 -6.808819389e-02 5.16 -6.560270220e-02 -6.560270220e-02 5.18 -6.318828751e-02 -6.318828751e-02 5.20 -6.084340849e-02 -6.084340849e-02 5.22 -5.856719679e-02 -5.856719679e-02 5.24 -5.635933852e-02 -5.635933852e-02 5.26 -5.421993501e-02 -5.421993501e-02 5.28 -5.214928378e-02 -5.214928378e-02 5.30 -5.014791589e-02 -5.014791589e-02 5.32 -4.821638016e-02 -4.821638016e-02 5.34 -4.635506721e-02 -4.635506721e-02 5.36 -4.456409039e-02 -4.456409039e-02 5.38 -4.284319126e-02 -4.284319126e-02 5.40 -4.119167449e-02 -4.119167449e-02 5.42 -3.960837420e-02 -3.960837420e-02 5.44 -3.809165082e-02 -3.809165082e-02 5.46 -3.663941540e-02 -3.663941540e-02 5.48 -3.524917595e-02 -3.524917595e-02 5.50 -3.391809972e-02 -3.391809972e-02 5.52 -3.264308477e-02 -3.264308477e-02 5.54 -3.142083506e-02 -3.142083506e-02 5.56 -3.024793373e-02 -3.024793373e-02 5.58 -2.912091110e-02 -2.912091110e-02 5.60 -2.803630482e-02 -2.803630482e-02 5.62 -2.699071103e-02 -2.699071103e-02 5.64 -2.598082615e-02 -2.598082615e-02 5.66 -2.500348037e-02 -2.500348037e-02 5.68 -2.405566358e-02 -2.405566358e-02 5.70 -2.313454530e-02 -2.313454530e-02 5.72 -2.223748998e-02 -2.223748998e-02 5.74 -2.136206922e-02 -2.136206922e-02 5.76 -2.050607216e-02 -2.050607216e-02 5.78 -1.966751502e-02 -1.966751502e-02 5.80 -1.884465048e-02 -1.884465048e-02 5.82 -1.803597750e-02 -1.803597750e-02 5.84 -1.724025137e-02 -1.724025137e-02 5.86 -1.645649392e-02 -1.645649392e-02 5.88 -1.568400321e-02 -1.568400321e-02 5.90 -1.492236172e-02 -1.492236172e-02 5.92 -1.417144189e-02 -1.417144189e-02 5.94 -1.343139375e-02 -1.343139375e-02 5.96 -1.270259086e-02 -1.270259086e-02 5.98 -1.198576779e-02 -1.198576779e-02 6.00 -1.128193176e-02 -1.128193176e-02