# 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 = Co2MoPd # 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 2.222712994e+02 2.222712994e+02 1.30 2.049132543e+02 2.049132543e+02 1.32 1.888804904e+02 1.888804904e+02 1.34 1.740735845e+02 1.740735845e+02 1.36 1.603998335e+02 1.603998335e+02 1.38 1.477701573e+02 1.477701573e+02 1.40 1.360987628e+02 1.360987628e+02 1.42 1.253048290e+02 1.253048290e+02 1.44 1.153144051e+02 1.153144051e+02 1.46 1.060612961e+02 1.060612961e+02 1.48 9.748668275e+01 9.748668275e+01 1.50 8.953789091e+01 8.953789091e+01 1.52 8.216708053e+01 8.216708053e+01 1.54 7.533040524e+01 7.533040524e+01 1.56 6.898760985e+01 6.898760985e+01 1.58 6.310175861e+01 6.310175861e+01 1.60 5.763895399e+01 5.763895399e+01 1.62 5.256811597e+01 5.256811597e+01 1.64 4.786086455e+01 4.786086455e+01 1.66 4.349140966e+01 4.349140966e+01 1.68 3.943687967e+01 3.943687967e+01 1.70 3.567933079e+01 3.567933079e+01 1.72 3.221440552e+01 3.221440552e+01 1.74 2.902642860e+01 2.902642860e+01 1.76 2.609435418e+01 2.609435418e+01 1.78 2.339796588e+01 2.339796588e+01 1.80 2.091815367e+01 2.091815367e+01 1.82 1.863718104e+01 1.863718104e+01 1.84 1.653884921e+01 1.653884921e+01 1.86 1.460852431e+01 1.460852431e+01 1.88 1.283305393e+01 1.283305393e+01 1.90 1.120061367e+01 1.120061367e+01 1.92 9.700525990e+00 9.700525990e+00 1.94 8.323090769e+00 8.323090769e+00 1.96 7.059443377e+00 7.059443377e+00 1.98 5.901427426e+00 5.901427426e+00 2.00 4.841468444e+00 4.841468444e+00 2.02 3.872455905e+00 3.872455905e+00 2.04 2.987649049e+00 2.987649049e+00 2.06 2.180612874e+00 2.180612874e+00 2.08 1.445185234e+00 1.445185234e+00 2.10 7.754769638e-01 7.754769638e-01 2.12 1.659043619e-01 1.659043619e-01 2.14 -3.887546900e-01 -3.887546900e-01 2.16 -8.932975299e-01 -8.932975299e-01 2.18 -1.352046203e+00 -1.352046203e+00 2.20 -1.768826506e+00 -1.768826506e+00 2.22 -2.146984680e+00 -2.146984680e+00 2.24 -2.489437835e+00 -2.489437835e+00 2.26 -2.798744974e+00 -2.798744974e+00 2.28 -3.077183178e+00 -3.077183178e+00 2.30 -3.326817246e+00 -3.326817246e+00 2.32 -3.549556600e+00 -3.549556600e+00 2.34 -3.747197527e+00 -3.747197527e+00 2.36 -3.921350463e+00 -3.921350463e+00 2.38 -4.073631306e+00 -4.073631306e+00 2.40 -4.205801554e+00 -4.205801554e+00 2.42 -4.319519291e+00 -4.319519291e+00 2.44 -4.416344725e+00 -4.416344725e+00 2.46 -4.497745604e+00 -4.497745604e+00 2.48 -4.565100246e+00 -4.565100246e+00 2.50 -4.619683293e+00 -4.619683293e+00 2.52 -4.662497517e+00 -4.662497517e+00 2.54 -4.694389100e+00 -4.694389100e+00 2.56 -4.716235576e+00 -4.716235576e+00 2.58 -4.728730126e+00 -4.728730126e+00 2.60 -4.732525379e+00 -4.732525379e+00 2.62 -4.728275177e+00 -4.728275177e+00 2.64 -4.716946216e+00 -4.716946216e+00 2.66 -4.698988240e+00 -4.698988240e+00 2.68 -4.674637008e+00 -4.674637008e+00 2.70 -4.644107997e+00 -4.644107997e+00 2.72 -4.607553971e+00 -4.607553971e+00 2.74 -4.565044230e+00 -4.565044230e+00 2.76 -4.516671378e+00 -4.516671378e+00 2.78 -4.462609273e+00 -4.462609273e+00 2.80 -4.403121017e+00 -4.403121017e+00 2.82 -4.338498206e+00 -4.338498206e+00 2.84 -4.269060863e+00 -4.269060863e+00 2.86 -4.195162015e+00 -4.195162015e+00 2.88 -4.117191873e+00 -4.117191873e+00 2.90 -4.035580164e+00 -4.035580164e+00 2.92 -3.950794976e+00 -3.950794976e+00 2.94 -3.863336969e+00 -3.863336969e+00 2.96 -3.773728760e+00 -3.773728760e+00 2.98 -3.682500368e+00 -3.682500368e+00 3.00 -3.590172223e+00 -3.590172223e+00 3.02 -3.497237325e+00 -3.497237325e+00 3.04 -3.404143887e+00 -3.404143887e+00 3.06 -3.311279747e+00 -3.311279747e+00 3.08 -3.218960114e+00 -3.218960114e+00 3.10 -3.127420451e+00 -3.127420451e+00 3.12 -3.036815953e+00 -3.036815953e+00 3.14 -2.947227919e+00 -2.947227919e+00 3.16 -2.858675909e+00 -2.858675909e+00 3.18 -2.771133529e+00 -2.771133529e+00 3.20 -2.684545444e+00 -2.684545444e+00 3.22 -2.598843687e+00 -2.598843687e+00 3.24 -2.513962079e+00 -2.513962079e+00 3.26 -2.429848241e+00 -2.429848241e+00 3.28 -2.346473137e+00 -2.346473137e+00 3.30 -2.263838235e+00 -2.263838235e+00 3.32 -2.181980373e+00 -2.181980373e+00 3.34 -2.100974321e+00 -2.100974321e+00 3.36 -2.020932955e+00 -2.020932955e+00 3.38 -1.942004914e+00 -1.942004914e+00 3.40 -1.864369699e+00 -1.864369699e+00 3.42 -1.788230344e+00 -1.788230344e+00 3.44 -1.713804003e+00 -1.713804003e+00 3.46 -1.641311117e+00 -1.641311117e+00 3.48 -1.570964000e+00 -1.570964000e+00 3.50 -1.502955850e+00 -1.502955850e+00 3.52 -1.437451147e+00 -1.437451147e+00 3.54 -1.374578253e+00 -1.374578253e+00 3.56 -1.314424723e+00 -1.314424723e+00 3.58 -1.257035519e+00 -1.257035519e+00 3.60 -1.202413945e+00 -1.202413945e+00 3.62 -1.150524898e+00 -1.150524898e+00 3.64 -1.101299816e+00 -1.101299816e+00 3.66 -1.054642670e+00 -1.054642670e+00 3.68 -1.010436382e+00 -1.010436382e+00 3.70 -9.685491295e-01 -9.685491295e-01 3.72 -9.288401446e-01 -9.288401446e-01 3.74 -8.911647622e-01 -8.911647622e-01 3.76 -8.553785754e-01 -8.553785754e-01 3.78 -8.213406790e-01 -8.213406790e-01 3.80 -7.889160494e-01 -7.889160494e-01 3.82 -7.579771631e-01 -7.579771631e-01 3.84 -7.284049810e-01 -7.284049810e-01 3.86 -7.000894410e-01 -7.000894410e-01 3.88 -6.729295969e-01 -6.729295969e-01 3.90 -6.468335297e-01 -6.468335297e-01 3.92 -6.217181384e-01 -6.217181384e-01 3.94 -5.975088974e-01 -5.975088974e-01 3.96 -5.741396313e-01 -5.741396313e-01 3.98 -5.515523397e-01 -5.515523397e-01 4.00 -5.296970646e-01 -5.296970646e-01 4.02 -5.085317687e-01 -5.085317687e-01 4.04 -4.880221683e-01 -4.880221683e-01 4.06 -4.681414549e-01 -4.681414549e-01 4.08 -4.488698381e-01 -4.488698381e-01 4.10 -4.301938670e-01 -4.301938670e-01 4.12 -4.121055243e-01 -4.121055243e-01 4.14 -3.946011237e-01 -3.946011237e-01 4.16 -3.776801020e-01 -3.776801020e-01 4.18 -3.613438004e-01 -3.613438004e-01 4.20 -3.455943390e-01 -3.455943390e-01 4.22 -3.304336490e-01 -3.304336490e-01 4.24 -3.158626771e-01 -3.158626771e-01 4.26 -3.018807252e-01 -3.018807252e-01 4.28 -2.884848633e-01 -2.884848633e-01 4.30 -2.756693616e-01 -2.756693616e-01 4.32 -2.634251292e-01 -2.634251292e-01 4.34 -2.517392029e-01 -2.517392029e-01 4.36 -2.405943713e-01 -2.405943713e-01 4.38 -2.299690330e-01 -2.299690330e-01 4.40 -2.198373583e-01 -2.198373583e-01 4.42 -2.101697735e-01 -2.101697735e-01 4.44 -2.009337247e-01 -2.009337247e-01 4.46 -1.920946340e-01 -1.920946340e-01 4.48 -1.836169413e-01 -1.836169413e-01 4.50 -1.754651317e-01 -1.754651317e-01 4.52 -1.676046736e-01 -1.676046736e-01 4.54 -1.600028231e-01 -1.600028231e-01 4.56 -1.526292819e-01 -1.526292819e-01 4.58 -1.454567123e-01 -1.454567123e-01 4.60 -1.384611280e-01 -1.384611280e-01 4.62 -1.316221747e-01 -1.316221747e-01 4.64 -1.249233161e-01 -1.249233161e-01 4.66 -1.183519303e-01 -1.183519303e-01 4.68 -1.118993153e-01 -1.118993153e-01 4.70 -1.055606021e-01 -1.055606021e-01 4.72 -9.933457318e-02 -9.933457318e-02 4.74 -9.322339034e-02 -9.322339034e-02 4.76 -8.723224669e-02 -8.723224669e-02 4.78 -8.136896404e-02 -8.136896404e-02 4.80 -7.564356498e-02 -7.564356498e-02 4.82 -7.006784927e-02 -7.006784927e-02 4.84 -6.465498911e-02 -6.465498911e-02 4.86 -5.941915528e-02 -5.941915528e-02 4.88 -5.437515572e-02 -5.437515572e-02 4.90 -4.953805910e-02 -4.953805910e-02 4.92 -4.492276806e-02 -4.492276806e-02 4.94 -4.054330509e-02 -4.054330509e-02 4.96 -3.641261051e-02 -3.641261051e-02 4.98 -3.254193267e-02 -3.254193267e-02 5.00 -2.893987245e-02 -2.893987245e-02 5.02 -2.561181555e-02 -2.561181555e-02 5.04 -2.255950453e-02 -2.255950453e-02 5.06 -1.978081691e-02 -1.978081691e-02 5.08 -1.726959980e-02 -1.726959980e-02 5.10 -1.501617425e-02 -1.501617425e-02 5.12 -1.300811846e-02 -1.300811846e-02 5.14 -1.123043624e-02 -1.123043624e-02 5.16 -9.666279315e-03 -9.666279315e-03 5.18 -8.297682274e-03 -8.297682274e-03 5.20 -7.106244156e-03 -7.106244156e-03 5.22 -6.073715718e-03 -6.073715718e-03 5.24 -5.182470379e-03 -5.182470379e-03 5.26 -4.415853424e-03 -4.415853424e-03 5.28 -3.758416375e-03 -3.758416375e-03 5.30 -3.196051166e-03 -3.196051166e-03 5.32 -2.716042532e-03 -2.716042532e-03 5.34 -2.307057652e-03 -2.307057652e-03 5.36 -1.959090752e-03 -1.959090752e-03 5.38 -1.663377900e-03 -1.663377900e-03 5.40 -1.412294325e-03 -1.412294325e-03 5.42 -1.199243737e-03 -1.199243737e-03 5.44 -1.018546538e-03 -1.018546538e-03 5.46 -8.653316700e-04 -8.653316700e-04 5.48 -7.354351282e-04 -7.354351282e-04 5.50 -6.253068680e-04 -6.253068680e-04 5.52 -5.319268821e-04 -5.319268821e-04 5.54 -4.527305711e-04 -4.527305711e-04 5.56 -3.855430923e-04 -3.855430923e-04 5.58 -3.285221057e-04 -3.285221057e-04 5.60 -2.801081954e-04 -2.801081954e-04 5.62 -2.389821784e-04 -2.389821784e-04 5.64 -2.040285174e-04 -2.040285174e-04 5.66 -1.743040793e-04 -1.743040793e-04 5.68 -1.490115414e-04 -1.490115414e-04 5.70 -1.274768096e-04 -1.274768096e-04 5.72 -1.091298793e-04 -1.091298793e-04 5.74 -9.348864072e-05 -9.348864072e-05 5.76 -8.014519138e-05 -8.014519138e-05 5.78 -6.875427833e-05 -6.875427833e-05 5.80 -5.902354513e-05 -5.902354513e-05 5.82 -5.070530536e-05 -5.070530536e-05 5.84 -4.358960589e-05 -4.358960589e-05 5.86 -3.749837811e-05 -3.749837811e-05 5.88 -3.228050666e-05 -3.228050666e-05 5.90 -2.780767110e-05 -2.780767110e-05 5.92 -2.397083876e-05 -2.397083876e-05 5.94 -2.067730588e-05 -2.067730588e-05 5.96 -1.784820037e-05 -1.784820037e-05 5.98 -1.541637348e-05 -1.541637348e-05 6.00 -1.332461885e-05 -1.332461885e-05