# 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 = CuPd2Ta # 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 2.923715635e+02 2.923715635e+02 1.30 2.710181598e+02 2.710181598e+02 1.32 2.512493739e+02 2.512493739e+02 1.34 2.329440470e+02 2.329440470e+02 1.36 2.159852980e+02 2.159852980e+02 1.38 2.002615506e+02 2.002615506e+02 1.40 1.856687400e+02 1.856687400e+02 1.42 1.721118473e+02 1.721118473e+02 1.44 1.595054703e+02 1.595054703e+02 1.46 1.477737383e+02 1.477737383e+02 1.48 1.368495661e+02 1.368495661e+02 1.50 1.266733031e+02 1.266733031e+02 1.52 1.171911310e+02 1.171911310e+02 1.54 1.083535947e+02 1.083535947e+02 1.56 1.001144936e+02 1.001144936e+02 1.58 9.243026977e+01 9.243026977e+01 1.60 8.525996276e+01 8.525996276e+01 1.62 7.856559856e+01 7.856559856e+01 1.64 7.231262556e+01 7.231262556e+01 1.66 6.647002011e+01 6.647002011e+01 1.68 6.100996248e+01 6.100996248e+01 1.70 5.590729599e+01 5.590729599e+01 1.72 5.114239983e+01 5.114239983e+01 1.74 4.669500212e+01 4.669500212e+01 1.76 4.254365680e+01 4.254365680e+01 1.78 3.868060274e+01 3.868060274e+01 1.80 3.510593988e+01 3.510593988e+01 1.82 3.179886163e+01 3.179886163e+01 1.84 2.873973825e+01 2.873973825e+01 1.86 2.591036986e+01 2.591036986e+01 1.88 2.329386358e+01 2.329386358e+01 1.90 2.087455762e+01 2.087455762e+01 1.92 1.863804935e+01 1.863804935e+01 1.94 1.657128748e+01 1.657128748e+01 1.96 1.466260360e+01 1.466260360e+01 1.98 1.290157947e+01 1.290157947e+01 2.00 1.127875512e+01 1.127875512e+01 2.02 9.785282631e+00 9.785282631e+00 2.04 8.412650634e+00 8.412650634e+00 2.06 7.152551106e+00 7.152551106e+00 2.08 5.996884497e+00 5.996884497e+00 2.10 4.937850298e+00 4.937850298e+00 2.12 3.968061049e+00 3.968061049e+00 2.14 3.080634892e+00 3.080634892e+00 2.16 2.269245531e+00 2.269245531e+00 2.18 1.528127384e+00 1.528127384e+00 2.20 8.520447935e-01 8.520447935e-01 2.22 2.362380399e-01 2.362380399e-01 2.24 -3.236425181e-01 -3.236425181e-01 2.26 -8.316066782e-01 -8.316066782e-01 2.28 -1.291394436e+00 -1.291394436e+00 2.30 -1.706540965e+00 -1.706540965e+00 2.32 -2.080428986e+00 -2.080428986e+00 2.34 -2.416319706e+00 -2.416319706e+00 2.36 -2.717299744e+00 -2.717299744e+00 2.38 -2.986294695e+00 -2.986294695e+00 2.40 -3.226362326e+00 -3.226362326e+00 2.42 -3.440337175e+00 -3.440337175e+00 2.44 -3.630794010e+00 -3.630794010e+00 2.46 -3.800053765e+00 -3.800053765e+00 2.48 -3.950173237e+00 -3.950173237e+00 2.50 -4.082700825e+00 -4.082700825e+00 2.52 -4.198916152e+00 -4.198916152e+00 2.54 -4.300048309e+00 -4.300048309e+00 2.56 -4.387236544e+00 -4.387236544e+00 2.58 -4.461505371e+00 -4.461505371e+00 2.60 -4.523761581e+00 -4.523761581e+00 2.62 -4.574808940e+00 -4.574808940e+00 2.64 -4.615372020e+00 -4.615372020e+00 2.66 -4.646120472e+00 -4.646120472e+00 2.68 -4.667687669e+00 -4.667687669e+00 2.70 -4.680680991e+00 -4.680680991e+00 2.72 -4.685683930e+00 -4.685683930e+00 2.74 -4.683252257e+00 -4.683252257e+00 2.76 -4.673971995e+00 -4.673971995e+00 2.78 -4.659035730e+00 -4.659035730e+00 2.80 -4.638720764e+00 -4.638720764e+00 2.82 -4.612974871e+00 -4.612974871e+00 2.84 -4.581814138e+00 -4.581814138e+00 2.86 -4.545321629e+00 -4.545321629e+00 2.88 -4.503647368e+00 -4.503647368e+00 2.90 -4.457006378e+00 -4.457006378e+00 2.92 -4.405672567e+00 -4.405672567e+00 2.94 -4.349987724e+00 -4.349987724e+00 2.96 -4.290395015e+00 -4.290395015e+00 2.98 -4.227361519e+00 -4.227361519e+00 3.00 -4.161320279e+00 -4.161320279e+00 3.02 -4.092658921e+00 -4.092658921e+00 3.04 -4.021714354e+00 -4.021714354e+00 3.06 -3.948773199e+00 -3.948773199e+00 3.08 -3.874076624e+00 -3.874076624e+00 3.10 -3.797827840e+00 -3.797827840e+00 3.12 -3.720200731e+00 -3.720200731e+00 3.14 -3.641348574e+00 -3.641348574e+00 3.16 -3.561412334e+00 -3.561412334e+00 3.18 -3.480528282e+00 -3.480528282e+00 3.20 -3.398834810e+00 -3.398834810e+00 3.22 -3.316478200e+00 -3.316478200e+00 3.24 -3.233617031e+00 -3.233617031e+00 3.26 -3.150424765e+00 -3.150424765e+00 3.28 -3.067090089e+00 -3.067090089e+00 3.30 -2.983814714e+00 -2.983814714e+00 3.32 -2.900808614e+00 -2.900808614e+00 3.34 -2.818283080e+00 -2.818283080e+00 3.36 -2.736442313e+00 -2.736442313e+00 3.38 -2.655474540e+00 -2.655474540e+00 3.40 -2.575543776e+00 -2.575543776e+00 3.42 -2.496783175e+00 -2.496783175e+00 3.44 -2.419290691e+00 -2.419290691e+00 3.46 -2.343127348e+00 -2.343127348e+00 3.48 -2.268318063e+00 -2.268318063e+00 3.50 -2.194854677e+00 -2.194854677e+00 3.52 -2.122700664e+00 -2.122700664e+00 3.54 -2.051796984e+00 -2.051796984e+00 3.56 -1.982068566e+00 -1.982068566e+00 3.58 -1.913431053e+00 -1.913431053e+00 3.60 -1.845797524e+00 -1.845797524e+00 3.62 -1.779085054e+00 -1.779085054e+00 3.64 -1.713220963e+00 -1.713220963e+00 3.66 -1.648148674e+00 -1.648148674e+00 3.68 -1.583833014e+00 -1.583833014e+00 3.70 -1.520264734e+00 -1.520264734e+00 3.72 -1.457463961e+00 -1.457463961e+00 3.74 -1.395482212e+00 -1.395482212e+00 3.76 -1.334402580e+00 -1.334402580e+00 3.78 -1.274337790e+00 -1.274337790e+00 3.80 -1.215425928e+00 -1.215425928e+00 3.82 -1.157823905e+00 -1.157823905e+00 3.84 -1.101699018e+00 -1.101699018e+00 3.86 -1.047219250e+00 -1.047219250e+00 3.88 -9.945432413e-01 -9.945432413e-01 3.90 -9.438109369e-01 -9.438109369e-01 3.92 -8.951358899e-01 -8.951358899e-01 3.94 -8.485999701e-01 -8.485999701e-01 3.96 -8.042508645e-01 -8.042508645e-01 3.98 -7.621023721e-01 -7.621023721e-01 4.00 -7.221371215e-01 -7.221371215e-01 4.02 -6.843110802e-01 -6.843110802e-01 4.04 -6.485590922e-01 -6.485590922e-01 4.06 -6.148006808e-01 -6.148006808e-01 4.08 -5.829454545e-01 -5.829454545e-01 4.10 -5.528976366e-01 -5.528976366e-01 4.12 -5.245594577e-01 -5.245594577e-01 4.14 -4.978333503e-01 -4.978333503e-01 4.16 -4.726231072e-01 -4.726231072e-01 4.18 -4.488342674e-01 -4.488342674e-01 4.20 -4.263740793e-01 -4.263740793e-01 4.22 -4.051513732e-01 -4.051513732e-01 4.24 -3.850766035e-01 -3.850766035e-01 4.26 -3.660622082e-01 -3.660622082e-01 4.28 -3.480233127e-01 -3.480233127e-01 4.30 -3.308787007e-01 -3.308787007e-01 4.32 -3.145519049e-01 -3.145519049e-01 4.34 -2.989722427e-01 -2.989722427e-01 4.36 -2.840756313e-01 -2.840756313e-01 4.38 -2.698050527e-01 -2.698050527e-01 4.40 -2.561105973e-01 -2.561105973e-01 4.42 -2.429490773e-01 -2.429490773e-01 4.44 -2.302832684e-01 -2.302832684e-01 4.46 -2.180808921e-01 -2.180808921e-01 4.48 -2.063134917e-01 -2.063134917e-01 4.50 -1.949553656e-01 -1.949553656e-01 4.52 -1.839827077e-01 -1.839827077e-01 4.54 -1.733730996e-01 -1.733730996e-01 4.56 -1.631053892e-01 -1.631053892e-01 4.58 -1.531599698e-01 -1.531599698e-01 4.60 -1.435193610e-01 -1.435193610e-01 4.62 -1.341690263e-01 -1.341690263e-01 4.64 -1.250982446e-01 -1.250982446e-01 4.66 -1.163007526e-01 -1.163007526e-01 4.68 -1.077758750e-01 -1.077758750e-01 4.70 -9.952841828e-02 -9.952841828e-02 4.72 -9.156839179e-02 -9.156839179e-02 4.74 -8.391037294e-02 -8.391037294e-02 4.76 -7.657242410e-02 -7.657242410e-02 4.78 -6.957464692e-02 -6.957464692e-02 4.80 -6.293750788e-02 -6.293750788e-02 4.82 -5.668010240e-02 -5.668010240e-02 4.84 -5.081852502e-02 -5.081852502e-02 4.86 -4.536451045e-02 -4.536451045e-02 4.88 -4.032445698e-02 -4.032445698e-02 4.90 -3.569889343e-02 -3.569889343e-02 4.92 -3.148241168e-02 -3.148241168e-02 4.94 -2.766400465e-02 -2.766400465e-02 4.96 -2.422773497e-02 -2.422773497e-02 4.98 -2.115361377e-02 -2.115361377e-02 5.00 -1.841859797e-02 -1.841859797e-02 5.02 -1.599760802e-02 -1.599760802e-02 5.04 -1.386422341e-02 -1.386422341e-02 5.06 -1.199195550e-02 -1.199195550e-02 5.08 -1.035517215e-02 -1.035517215e-02 5.10 -8.929105486e-03 -8.929105486e-03 5.12 -7.690303308e-03 -7.690303308e-03 5.14 -6.616929225e-03 -6.616929225e-03 5.16 -5.688933549e-03 -5.688933549e-03 5.18 -4.888121594e-03 -4.888121594e-03 5.20 -4.198144290e-03 -4.198144290e-03 5.22 -3.604433081e-03 -3.604433081e-03 5.24 -3.094097467e-03 -3.094097467e-03 5.26 -2.655799825e-03 -2.655799825e-03 5.28 -2.279618816e-03 -2.279618816e-03 5.30 -1.956909636e-03 -1.956909636e-03 5.32 -1.680167017e-03 -1.680167017e-03 5.34 -1.442894834e-03 -1.442894834e-03 5.36 -1.239484757e-03 -1.239484757e-03 5.38 -1.065105195e-03 -1.065105195e-03 5.40 -9.156010259e-04 -9.156010259e-04 5.42 -7.874040190e-04 -7.874040190e-04 5.44 -6.774534961e-04 -6.774534961e-04 5.46 -5.831265597e-04 -5.831265597e-04 5.48 -5.021770846e-04 -5.021770846e-04 5.50 -4.326826280e-04 -4.326826280e-04 5.52 -3.729984133e-04 -3.729984133e-04 5.54 -3.217175730e-04 -3.217175730e-04 5.56 -2.776368940e-04 -2.776368940e-04 5.58 -2.397273674e-04 -2.397273674e-04 5.60 -2.071089161e-04 -2.071089161e-04 5.62 -1.790287392e-04 -1.790287392e-04 5.64 -1.548427779e-04 -1.548427779e-04 5.66 -1.339998669e-04 -1.339998669e-04 5.68 -1.160281935e-04 -1.160281935e-04 5.70 -1.005237337e-04 -1.005237337e-04 5.72 -8.714038054e-05 -8.714038054e-05 5.74 -7.558151962e-05 -7.558151962e-05 5.76 -6.559284061e-05 -6.559284061e-05 5.78 -5.695620329e-05 -5.695620329e-05 5.80 -4.948440351e-05 -4.948440351e-05 5.82 -4.301670647e-05 -4.301670647e-05 5.84 -3.741503401e-05 -3.741503401e-05 5.86 -3.256070948e-05 -3.256070948e-05 5.88 -2.835167772e-05 -2.835167772e-05 5.90 -2.470013020e-05 -2.470013020e-05 5.92 -2.153047534e-05 -2.153047534e-05 5.94 -1.877760328e-05 -1.877760328e-05 5.96 -1.638540166e-05 -1.638540166e-05 5.98 -1.430548571e-05 -1.430548571e-05 6.00 -1.249611094e-05 -1.249611094e-05