# 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 = Co2PdPt # 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 2.423868015e+02 2.423868015e+02 1.30 2.243851075e+02 2.243851075e+02 1.32 2.076685373e+02 2.076685373e+02 1.34 1.921397969e+02 1.921397969e+02 1.36 1.777123495e+02 1.777123495e+02 1.38 1.643051848e+02 1.643051848e+02 1.40 1.518403799e+02 1.518403799e+02 1.42 1.402436819e+02 1.402436819e+02 1.44 1.294464284e+02 1.294464284e+02 1.46 1.193875787e+02 1.193875787e+02 1.48 1.100141385e+02 1.100141385e+02 1.50 1.012789804e+02 1.012789804e+02 1.52 9.313771727e+01 9.313771727e+01 1.54 8.554688835e+01 8.554688835e+01 1.56 7.846390980e+01 7.846390980e+01 1.58 7.184791070e+01 7.184791070e+01 1.60 6.566061536e+01 6.566061536e+01 1.62 5.986706217e+01 5.986706217e+01 1.64 5.443626183e+01 5.443626183e+01 1.66 4.934165829e+01 4.934165829e+01 1.68 4.456279669e+01 4.456279669e+01 1.70 4.014372713e+01 4.014372713e+01 1.72 3.609112417e+01 3.609112417e+01 1.74 3.237807751e+01 3.237807751e+01 1.76 2.897847783e+01 2.897847783e+01 1.78 2.586686523e+01 2.586686523e+01 1.80 2.301897074e+01 2.301897074e+01 1.82 2.041246315e+01 2.041246315e+01 1.84 1.802735536e+01 1.802735536e+01 1.86 1.584587784e+01 1.584587784e+01 1.88 1.385198100e+01 1.385198100e+01 1.90 1.203077572e+01 1.203077572e+01 1.92 1.036818001e+01 1.036818001e+01 1.94 8.850875350e+00 8.850875350e+00 1.96 7.466475171e+00 7.466475171e+00 1.98 6.203698135e+00 6.203698135e+00 2.00 5.052395622e+00 5.052395622e+00 2.02 4.003436344e+00 4.003436344e+00 2.04 3.048545358e+00 3.048545358e+00 2.06 2.180170729e+00 2.180170729e+00 2.08 1.391386616e+00 1.391386616e+00 2.10 6.758147193e-01 6.758147193e-01 2.12 2.755705843e-02 2.755705843e-02 2.14 -5.588522200e-01 -5.588522200e-01 2.16 -1.088468175e+00 -1.088468175e+00 2.18 -1.565933712e+00 -1.565933712e+00 2.20 -1.995471428e+00 -1.995471428e+00 2.22 -2.380885854e+00 -2.380885854e+00 2.24 -2.725584322e+00 -2.725584322e+00 2.26 -3.032614259e+00 -3.032614259e+00 2.28 -3.304709946e+00 -3.304709946e+00 2.30 -3.544342686e+00 -3.544342686e+00 2.32 -3.753771015e+00 -3.753771015e+00 2.34 -3.935088965e+00 -3.935088965e+00 2.36 -4.090270623e+00 -4.090270623e+00 2.38 -4.222002714e+00 -4.222002714e+00 2.40 -4.332986447e+00 -4.332986447e+00 2.42 -4.424558992e+00 -4.424558992e+00 2.44 -4.498110939e+00 -4.498110939e+00 2.46 -4.555091195e+00 -4.555091195e+00 2.48 -4.596992116e+00 -4.596992116e+00 2.50 -4.625327743e+00 -4.625327743e+00 2.52 -4.641614972e+00 -4.641614972e+00 2.54 -4.647412169e+00 -4.647412169e+00 2.56 -4.644036029e+00 -4.644036029e+00 2.58 -4.632666341e+00 -4.632666341e+00 2.60 -4.614363871e+00 -4.614363871e+00 2.62 -4.590041943e+00 -4.590041943e+00 2.64 -4.560722855e+00 -4.560722855e+00 2.66 -4.527014942e+00 -4.527014942e+00 2.68 -4.489159641e+00 -4.489159641e+00 2.70 -4.447255857e+00 -4.447255857e+00 2.72 -4.401298643e+00 -4.401298643e+00 2.74 -4.351287190e+00 -4.351287190e+00 2.76 -4.297241214e+00 -4.297241214e+00 2.78 -4.239207936e+00 -4.239207936e+00 2.80 -4.177276786e+00 -4.177276786e+00 2.82 -4.111605989e+00 -4.111605989e+00 2.84 -4.042390638e+00 -4.042390638e+00 2.86 -3.969861842e+00 -3.969861842e+00 2.88 -3.894296492e+00 -3.894296492e+00 2.90 -3.816026768e+00 -3.816026768e+00 2.92 -3.735446545e+00 -3.735446545e+00 2.94 -3.653011395e+00 -3.653011395e+00 2.96 -3.569229476e+00 -3.569229476e+00 2.98 -3.484642315e+00 -3.484642315e+00 3.00 -3.399797057e+00 -3.399797057e+00 3.02 -3.315214186e+00 -3.315214186e+00 3.04 -3.231356283e+00 -3.231356283e+00 3.06 -3.148603301e+00 -3.148603301e+00 3.08 -3.067238284e+00 -3.067238284e+00 3.10 -2.987477413e+00 -2.987477413e+00 3.12 -2.909529687e+00 -2.909529687e+00 3.14 -2.833504910e+00 -2.833504910e+00 3.16 -2.759421868e+00 -2.759421868e+00 3.18 -2.687239408e+00 -2.687239408e+00 3.20 -2.616882177e+00 -2.616882177e+00 3.22 -2.548259918e+00 -2.548259918e+00 3.24 -2.481280680e+00 -2.481280680e+00 3.26 -2.415859006e+00 -2.415859006e+00 3.28 -2.351920391e+00 -2.351920391e+00 3.30 -2.289403156e+00 -2.289403156e+00 3.32 -2.228258653e+00 -2.228258653e+00 3.34 -2.168450392e+00 -2.168450392e+00 3.36 -2.109952529e+00 -2.109952529e+00 3.38 -2.052747976e+00 -2.052747976e+00 3.40 -1.996826332e+00 -1.996826332e+00 3.42 -1.942181783e+00 -1.942181783e+00 3.44 -1.888811083e+00 -1.888811083e+00 3.46 -1.836711715e+00 -1.836711715e+00 3.48 -1.785880277e+00 -1.785880277e+00 3.50 -1.736311150e+00 -1.736311150e+00 3.52 -1.687995438e+00 -1.687995438e+00 3.54 -1.640920185e+00 -1.640920185e+00 3.56 -1.595067861e+00 -1.595067861e+00 3.58 -1.550416095e+00 -1.550416095e+00 3.60 -1.506937647e+00 -1.506937647e+00 3.62 -1.464600615e+00 -1.464600615e+00 3.64 -1.423368866e+00 -1.423368866e+00 3.66 -1.383202677e+00 -1.383202677e+00 3.68 -1.344059554e+00 -1.344059554e+00 3.70 -1.305895192e+00 -1.305895192e+00 3.72 -1.268664497e+00 -1.268664497e+00 3.74 -1.232322609e+00 -1.232322609e+00 3.76 -1.196825820e+00 -1.196825820e+00 3.78 -1.162132327e+00 -1.162132327e+00 3.80 -1.128202766e+00 -1.128202766e+00 3.82 -1.095000493e+00 -1.095000493e+00 3.84 -1.062491629e+00 -1.062491629e+00 3.86 -1.030644912e+00 -1.030644912e+00 3.88 -9.994314188e-01 -9.994314188e-01 3.90 -9.688242400e-01 -9.688242400e-01 3.92 -9.387981861e-01 -9.387981861e-01 3.94 -9.093296148e-01 -9.093296148e-01 3.96 -8.803964190e-01 -8.803964190e-01 3.98 -8.519782449e-01 -8.519782449e-01 4.00 -8.240569373e-01 -8.240569373e-01 4.02 -7.966172077e-01 -7.966172077e-01 4.04 -7.696474838e-01 -7.696474838e-01 4.06 -7.431408648e-01 -7.431408648e-01 4.08 -7.170960817e-01 -7.170960817e-01 4.10 -6.915183300e-01 -6.915183300e-01 4.12 -6.664198537e-01 -6.664198537e-01 4.14 -6.418200895e-01 -6.418200895e-01 4.16 -6.177453185e-01 -6.177453185e-01 4.18 -5.942276961e-01 -5.942276961e-01 4.20 -5.713036695e-01 -5.713036695e-01 4.22 -5.490118395e-01 -5.490118395e-01 4.24 -5.273904094e-01 -5.273904094e-01 4.26 -5.064744237e-01 -5.064744237e-01 4.28 -4.862930410e-01 -4.862930410e-01 4.30 -4.668670924e-01 -4.668670924e-01 4.32 -4.482071522e-01 -4.482071522e-01 4.34 -4.303122945e-01 -4.303122945e-01 4.36 -4.131696321e-01 -4.131696321e-01 4.38 -3.967546484e-01 -3.967546484e-01 4.40 -3.810322419e-01 -3.810322419e-01 4.42 -3.659583338e-01 -3.659583338e-01 4.44 -3.514818407e-01 -3.514818407e-01 4.46 -3.375468101e-01 -3.375468101e-01 4.48 -3.240945362e-01 -3.240945362e-01 4.50 -3.110655238e-01 -3.110655238e-01 4.52 -2.984012240e-01 -2.984012240e-01 4.54 -2.860455188e-01 -2.860455188e-01 4.56 -2.739459738e-01 -2.739459738e-01 4.58 -2.620548991e-01 -2.620548991e-01 4.60 -2.503302677e-01 -2.503302677e-01 4.62 -2.387365335e-01 -2.387365335e-01 4.64 -2.272453726e-01 -2.272453726e-01 4.66 -2.158363507e-01 -2.158363507e-01 4.68 -2.044974947e-01 -2.044974947e-01 4.70 -1.932257257e-01 -1.932257257e-01 4.72 -1.820270941e-01 -1.820270941e-01 4.74 -1.709167516e-01 -1.709167516e-01 4.76 -1.599185966e-01 -1.599185966e-01 4.78 -1.490645464e-01 -1.490645464e-01 4.80 -1.383934154e-01 -1.383934154e-01 4.82 -1.279494139e-01 -1.279494139e-01 4.84 -1.177803129e-01 -1.177803129e-01 4.86 -1.079353762e-01 -1.079353762e-01 4.88 -9.846316978e-02 -9.846316978e-02 4.90 -8.940939041e-02 -8.940939041e-02 4.92 -8.081486006e-02 -8.081486006e-02 4.94 -7.271381271e-02 -7.271381271e-02 4.96 -6.513257541e-02 -6.513257541e-02 4.98 -5.808872651e-02 -5.808872651e-02 5.00 -5.159074335e-02 -5.159074335e-02 5.02 -4.563812220e-02 -4.563812220e-02 5.04 -4.022194023e-02 -4.022194023e-02 5.06 -3.532577322e-02 -3.532577322e-02 5.08 -3.092718450e-02 -3.092718450e-02 5.10 -2.699863424e-02 -2.699863424e-02 5.12 -2.350836686e-02 -2.350836686e-02 5.14 -2.042249288e-02 -2.042249288e-02 5.16 -1.770617137e-02 -1.770617137e-02 5.18 -1.532461339e-02 -1.532461339e-02 5.20 -1.324362799e-02 -1.324362799e-02 5.22 -1.143095500e-02 -1.143095500e-02 5.24 -9.856418350e-03 -9.856418350e-03 5.26 -8.492003949e-03 -8.492003949e-03 5.28 -7.312058406e-03 -7.312058406e-03 5.30 -6.293358102e-03 -6.293358102e-03 5.32 -5.415081091e-03 -5.415081091e-03 5.34 -4.658710129e-03 -4.658710129e-03 5.36 -4.007890288e-03 -4.007890288e-03 5.38 -3.448259778e-03 -3.448259778e-03 5.40 -2.967268232e-03 -2.967268232e-03 5.42 -2.553992813e-03 -2.553992813e-03 5.44 -2.198959399e-03 -2.198959399e-03 5.46 -1.893973547e-03 -1.893973547e-03 5.48 -1.631964062e-03 -1.631964062e-03 5.50 -1.406840558e-03 -1.406840558e-03 5.52 -1.213365394e-03 -1.213365394e-03 5.54 -1.047039725e-03 -1.047039725e-03 5.56 -9.040029048e-04 -9.040029048e-04 5.58 -7.809442910e-04 -7.809442910e-04 5.60 -6.750263234e-04 -6.750263234e-04 5.62 -5.838177360e-04 -5.838177360e-04 5.64 -5.052357743e-04 -5.052357743e-04 5.66 -4.374963488e-04 -4.374963488e-04 5.68 -3.790711388e-04 -3.790711388e-04 5.70 -3.286507455e-04 -3.286507455e-04 5.72 -2.851130911e-04 -2.851130911e-04 5.74 -2.474963499e-04 -2.474963499e-04 5.76 -2.149757809e-04 -2.149757809e-04 5.78 -1.868439155e-04 -1.868439155e-04 5.80 -1.624936217e-04 -1.624936217e-04 5.82 -1.414036325e-04 -1.414036325e-04 5.84 -1.231261812e-04 -1.231261812e-04 5.86 -1.072764389e-04 -1.072764389e-04 5.88 -9.352349022e-05 -9.352349022e-05 5.90 -8.158262212e-05 -8.158262212e-05 5.92 -7.120873433e-05 -7.120873433e-05 5.94 -6.219070558e-05 -6.219070558e-05 5.96 -5.434657613e-05 -5.434657613e-05 5.98 -4.751942658e-05 -4.751942658e-05 6.00 -4.157385082e-05 -4.157385082e-05