# 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 = CoNi2Pd # 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 1.579546563e+02 1.579546563e+02 1.30 1.451990321e+02 1.451990321e+02 1.32 1.334359166e+02 1.334359166e+02 1.34 1.225847294e+02 1.225847294e+02 1.36 1.125718355e+02 1.125718355e+02 1.38 1.033289930e+02 1.033289930e+02 1.40 9.479291047e+01 9.479291047e+01 1.42 8.690576532e+01 8.690576532e+01 1.44 7.961561773e+01 7.961561773e+01 1.46 7.287599025e+01 7.287599025e+01 1.48 6.664489749e+01 6.664489749e+01 1.50 6.088395799e+01 6.088395799e+01 1.52 5.555771582e+01 5.555771582e+01 1.54 5.063303747e+01 5.063303747e+01 1.56 4.607864713e+01 4.607864713e+01 1.58 4.186493713e+01 4.186493713e+01 1.60 3.796411484e+01 3.796411484e+01 1.62 3.435212855e+01 3.435212855e+01 1.64 3.102178475e+01 3.102178475e+01 1.66 2.795517581e+01 2.795517581e+01 1.68 2.513218527e+01 2.513218527e+01 1.70 2.253459718e+01 2.253459718e+01 1.72 2.014551708e+01 2.014551708e+01 1.74 1.794900378e+01 1.794900378e+01 1.76 1.593000539e+01 1.593000539e+01 1.78 1.407452693e+01 1.407452693e+01 1.80 1.236980647e+01 1.236980647e+01 1.82 1.080432076e+01 1.080432076e+01 1.84 9.367620387e+00 9.367620387e+00 1.86 8.050107593e+00 8.050107593e+00 1.88 6.842853958e+00 6.842853958e+00 1.90 5.737489625e+00 5.737489625e+00 1.92 4.726151557e+00 4.726151557e+00 1.94 3.801467810e+00 3.801467810e+00 1.96 2.956562910e+00 2.956562910e+00 1.98 2.185076740e+00 2.185076740e+00 2.00 1.481184849e+00 1.481184849e+00 2.02 8.395996544e-01 8.395996544e-01 2.04 2.555373424e-01 2.555373424e-01 2.06 -2.753440882e-01 -2.753440882e-01 2.08 -7.570135114e-01 -7.570135114e-01 2.10 -1.193122168e+00 -1.193122168e+00 2.12 -1.587040393e+00 -1.587040393e+00 2.14 -1.941881660e+00 -1.941881660e+00 2.16 -2.260522839e+00 -2.260522839e+00 2.18 -2.545626463e+00 -2.545626463e+00 2.20 -2.799666458e+00 -2.799666458e+00 2.22 -3.024955156e+00 -3.024955156e+00 2.24 -3.223667620e+00 -3.223667620e+00 2.26 -3.397860889e+00 -3.397860889e+00 2.28 -3.549490151e+00 -3.549490151e+00 2.30 -3.680426032e+00 -3.680426032e+00 2.32 -3.792472512e+00 -3.792472512e+00 2.34 -3.887376648e+00 -3.887376648e+00 2.36 -3.966818912e+00 -3.966818912e+00 2.38 -4.032382318e+00 -4.032382318e+00 2.40 -4.085532723e+00 -4.085532723e+00 2.42 -4.127587676e+00 -4.127587676e+00 2.44 -4.159603466e+00 -4.159603466e+00 2.46 -4.182509586e+00 -4.182509586e+00 2.48 -4.197145832e+00 -4.197145832e+00 2.50 -4.204441234e+00 -4.204441234e+00 2.52 -4.205374688e+00 -4.205374688e+00 2.54 -4.200395729e+00 -4.200395729e+00 2.56 -4.189857797e+00 -4.189857797e+00 2.58 -4.173787598e+00 -4.173787598e+00 2.60 -4.152170883e+00 -4.152170883e+00 2.62 -4.125076078e+00 -4.125076078e+00 2.64 -4.092636363e+00 -4.092636363e+00 2.66 -4.055057916e+00 -4.055057916e+00 2.68 -4.012629382e+00 -4.012629382e+00 2.70 -3.965677451e+00 -3.965677451e+00 2.72 -3.914564802e+00 -3.914564802e+00 2.74 -3.859689057e+00 -3.859689057e+00 2.76 -3.801473750e+00 -3.801473750e+00 2.78 -3.740351739e+00 -3.740351739e+00 2.80 -3.676745249e+00 -3.676745249e+00 2.82 -3.611048546e+00 -3.611048546e+00 2.84 -3.543618078e+00 -3.543618078e+00 2.86 -3.474771598e+00 -3.474771598e+00 2.88 -3.404794190e+00 -3.404794190e+00 2.90 -3.333947104e+00 -3.333947104e+00 2.92 -3.262475381e+00 -3.262475381e+00 2.94 -3.190611881e+00 -3.190611881e+00 2.96 -3.118577493e+00 -3.118577493e+00 2.98 -3.046578839e+00 -3.046578839e+00 3.00 -2.974805305e+00 -2.974805305e+00 3.02 -2.903426709e+00 -2.903426709e+00 3.04 -2.832591973e+00 -2.832591973e+00 3.06 -2.762428548e+00 -2.762428548e+00 3.08 -2.693042321e+00 -2.693042321e+00 3.10 -2.624518127e+00 -2.624518127e+00 3.12 -2.556921219e+00 -2.556921219e+00 3.14 -2.490299920e+00 -2.490299920e+00 3.16 -2.424689196e+00 -2.424689196e+00 3.18 -2.360114579e+00 -2.360114579e+00 3.20 -2.296595751e+00 -2.296595751e+00 3.22 -2.234149320e+00 -2.234149320e+00 3.24 -2.172790623e+00 -2.172790623e+00 3.26 -2.112534626e+00 -2.112534626e+00 3.28 -2.053396113e+00 -2.053396113e+00 3.30 -1.995389387e+00 -1.995389387e+00 3.32 -1.938527668e+00 -1.938527668e+00 3.34 -1.882822339e+00 -1.882822339e+00 3.36 -1.828282139e+00 -1.828282139e+00 3.38 -1.774912395e+00 -1.774912395e+00 3.40 -1.722714346e+00 -1.722714346e+00 3.42 -1.671684623e+00 -1.671684623e+00 3.44 -1.621814914e+00 -1.621814914e+00 3.46 -1.573091860e+00 -1.573091860e+00 3.48 -1.525497174e+00 -1.525497174e+00 3.50 -1.479007986e+00 -1.479007986e+00 3.52 -1.433597378e+00 -1.433597378e+00 3.54 -1.389235069e+00 -1.389235069e+00 3.56 -1.345888176e+00 -1.345888176e+00 3.58 -1.303522007e+00 -1.303522007e+00 3.60 -1.262100841e+00 -1.262100841e+00 3.62 -1.221588658e+00 -1.221588658e+00 3.64 -1.181949859e+00 -1.181949859e+00 3.66 -1.143149999e+00 -1.143149999e+00 3.68 -1.105156606e+00 -1.105156606e+00 3.70 -1.067940141e+00 -1.067940141e+00 3.72 -1.031475129e+00 -1.031475129e+00 3.74 -9.957414543e-01 -9.957414543e-01 3.76 -9.607257093e-01 -9.607257093e-01 3.78 -9.264224476e-01 -9.264224476e-01 3.80 -8.928350823e-01 -8.928350823e-01 3.82 -8.599761653e-01 -8.599761653e-01 3.84 -8.278667889e-01 -8.278667889e-01 3.86 -7.965349583e-01 -7.965349583e-01 3.88 -7.660129509e-01 -7.660129509e-01 3.90 -7.363338956e-01 -7.363338956e-01 3.92 -7.075280024e-01 -7.075280024e-01 3.94 -6.796189977e-01 -6.796189977e-01 3.96 -6.526213047e-01 -6.526213047e-01 3.98 -6.265383776e-01 -6.265383776e-01 4.00 -6.013623503e-01 -6.013623503e-01 4.02 -5.770749082e-01 -5.770749082e-01 4.04 -5.536490784e-01 -5.536490784e-01 4.06 -5.310515200e-01 -5.310515200e-01 4.08 -5.092448907e-01 -5.092448907e-01 4.10 -4.881899456e-01 -4.881899456e-01 4.12 -4.678471590e-01 -4.678471590e-01 4.14 -4.481777916e-01 -4.481777916e-01 4.16 -4.291444667e-01 -4.291444667e-01 4.18 -4.107113836e-01 -4.107113836e-01 4.20 -3.928443439e-01 -3.928443439e-01 4.22 -3.755107498e-01 -3.755107498e-01 4.24 -3.586796950e-01 -3.586796950e-01 4.26 -3.423222085e-01 -3.423222085e-01 4.28 -3.264116615e-01 -3.264116615e-01 4.30 -3.109243069e-01 -3.109243069e-01 4.32 -2.958399057e-01 -2.958399057e-01 4.34 -2.811423801e-01 -2.811423801e-01 4.36 -2.668204300e-01 -2.668204300e-01 4.38 -2.528680318e-01 -2.528680318e-01 4.40 -2.392847226e-01 -2.392847226e-01 4.42 -2.260755584e-01 -2.260755584e-01 4.44 -2.132506456e-01 -2.132506456e-01 4.46 -2.008241900e-01 -2.008241900e-01 4.48 -1.888130744e-01 -1.888130744e-01 4.50 -1.772350730e-01 -1.772350730e-01 4.52 -1.661068908e-01 -1.661068908e-01 4.54 -1.554422743e-01 -1.554422743e-01 4.56 -1.452504434e-01 -1.452504434e-01 4.58 -1.355350484e-01 -1.355350484e-01 4.60 -1.262937710e-01 -1.262937710e-01 4.62 -1.175185712e-01 -1.175185712e-01 4.64 -1.091965098e-01 -1.091965098e-01 4.66 -1.013109658e-01 -1.013109658e-01 4.68 -9.384304624e-02 -9.384304624e-02 4.70 -8.677297977e-02 -8.677297977e-02 4.72 -8.008135144e-02 -8.008135144e-02 4.74 -7.374981274e-02 -7.374981274e-02 4.76 -6.776216115e-02 -6.776216115e-02 4.78 -6.210464600e-02 -6.210464600e-02 4.80 -5.676555719e-02 -5.676555719e-02 4.82 -5.173505746e-02 -5.173505746e-02 4.84 -4.700485818e-02 -4.700485818e-02 4.86 -4.256782716e-02 -4.256782716e-02 4.88 -3.841758847e-02 -3.841758847e-02 4.90 -3.454815251e-02 -3.454815251e-02 4.92 -3.095358930e-02 -3.095358930e-02 4.94 -2.762774212e-02 -2.762774212e-02 4.96 -2.456397236e-02 -2.456397236e-02 4.98 -2.175492914e-02 -2.175492914e-02 5.00 -1.919235300e-02 -1.919235300e-02 5.02 -1.686692345e-02 -1.686692345e-02 5.04 -1.476817110e-02 -1.476817110e-02 5.06 -1.288423803e-02 -1.288423803e-02 5.08 -1.120229244e-02 -1.120229244e-02 5.10 -9.709027541e-03 -9.709027541e-03 5.12 -8.390364079e-03 -8.390364079e-03 5.14 -7.231776037e-03 -7.231776037e-03 5.16 -6.218629727e-03 -6.218629727e-03 5.18 -5.336503090e-03 -5.336503090e-03 5.20 -4.571464097e-03 -4.571464097e-03 5.22 -3.910294876e-03 -3.910294876e-03 5.24 -3.340656055e-03 -3.340656055e-03 5.26 -2.851192388e-03 -2.851192388e-03 5.28 -2.431585505e-03 -2.431585505e-03 5.30 -2.072562411e-03 -2.072562411e-03 5.32 -1.765869421e-03 -1.765869421e-03 5.34 -1.504221028e-03 -1.504221028e-03 5.36 -1.281232209e-03 -1.281232209e-03 5.38 -1.091341276e-03 -1.091341276e-03 5.40 -9.297288440e-04 -9.297288440e-04 5.42 -7.922370659e-04 -7.922370659e-04 5.44 -6.752920230e-04 -6.752920230e-04 5.46 -5.758311256e-04 -5.758311256e-04 5.48 -4.912365870e-04 -4.912365870e-04 5.50 -4.192754337e-04 -4.192754337e-04 5.52 -3.580460974e-04 -3.580460974e-04 5.54 -3.059313527e-04 -3.059313527e-04 5.56 -2.615571895e-04 -2.615571895e-04 5.58 -2.237571153e-04 -2.237571153e-04 5.60 -1.915413402e-04 -1.915413402e-04 5.62 -1.640702968e-04 -1.640702968e-04 5.64 -1.406319681e-04 -1.406319681e-04 5.66 -1.206225342e-04 -1.206225342e-04 5.68 -1.035298902e-04 -1.035298902e-04 5.70 -8.891963820e-05 -8.891963820e-05 5.72 -7.642319764e-05 -7.642319764e-05 5.74 -6.572772767e-05 -6.572772767e-05 5.76 -5.656759145e-05 -5.656759145e-05 5.78 -4.871713173e-05 -4.871713173e-05 5.80 -4.198455874e-05 -4.198455874e-05 5.82 -3.620678060e-05 -3.620678060e-05 5.84 -3.124503119e-05 -3.124503119e-05 5.86 -2.698117255e-05 -2.698117255e-05 5.88 -2.331456734e-05 -2.331456734e-05 5.90 -2.015943278e-05 -2.015943278e-05 5.92 -1.744260147e-05 -1.744260147e-05 5.94 -1.510162571e-05 -1.510162571e-05 5.96 -1.308317202e-05 -1.308317202e-05 5.98 -1.134166078e-05 -1.134166078e-05 6.00 -9.838113038e-06 -9.838113038e-06