# 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 = PdTi2W # 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 3.550205663e+02 3.550205663e+02 1.30 3.288684440e+02 3.288684440e+02 1.32 3.046596433e+02 3.046596433e+02 1.34 2.822488353e+02 2.822488353e+02 1.36 2.615012668e+02 2.615012668e+02 1.38 2.422890900e+02 2.422890900e+02 1.40 2.244903874e+02 2.244903874e+02 1.42 2.079903379e+02 2.079903379e+02 1.44 1.926831166e+02 1.926831166e+02 1.46 1.784729729e+02 1.784729729e+02 1.48 1.652738687e+02 1.652738687e+02 1.50 1.530082480e+02 1.530082480e+02 1.52 1.416057499e+02 1.416057499e+02 1.54 1.310022571e+02 1.310022571e+02 1.56 1.211392268e+02 1.211392268e+02 1.58 1.119630688e+02 1.119630688e+02 1.60 1.034245379e+02 1.034245379e+02 1.62 9.547830060e+01 9.547830060e+01 1.64 8.808269246e+01 8.808269246e+01 1.66 8.119947985e+01 8.119947985e+01 1.68 7.479352800e+01 7.479352800e+01 1.70 6.883244282e+01 6.883244282e+01 1.72 6.328621884e+01 6.328621884e+01 1.74 5.812684428e+01 5.812684428e+01 1.76 5.332787665e+01 5.332787665e+01 1.78 4.886411386e+01 4.886411386e+01 1.80 4.471147187e+01 4.471147187e+01 1.82 4.084706838e+01 4.084706838e+01 1.84 3.724960179e+01 3.724960179e+01 1.86 3.389969025e+01 3.389969025e+01 1.88 3.077982225e+01 3.077982225e+01 1.90 2.788438180e+01 2.788438180e+01 1.92 2.520191708e+01 2.520191708e+01 1.94 2.271748873e+01 2.271748873e+01 1.96 2.041750936e+01 2.041750936e+01 1.98 1.828946198e+01 1.828946198e+01 2.00 1.632166146e+01 1.632166146e+01 2.02 1.450306738e+01 1.450306738e+01 2.04 1.282315247e+01 1.282315247e+01 2.06 1.127183567e+01 1.127183567e+01 2.08 9.839483176e+00 9.839483176e+00 2.10 8.516961716e+00 8.516961716e+00 2.12 7.295710662e+00 7.295710662e+00 2.14 6.167803143e+00 6.167803143e+00 2.16 5.125981320e+00 5.125981320e+00 2.18 4.163661243e+00 4.163661243e+00 2.20 3.274906254e+00 3.274906254e+00 2.22 2.454370750e+00 2.454370750e+00 2.24 1.697225438e+00 1.697225438e+00 2.26 9.990801533e-01 9.990801533e-01 2.28 3.559171240e-01 3.559171240e-01 2.30 -2.359607557e-01 -2.359607557e-01 2.32 -7.799718345e-01 -7.799718345e-01 2.34 -1.279289915e+00 -1.279289915e+00 2.36 -1.736873841e+00 -1.736873841e+00 2.38 -2.155492553e+00 -2.155492553e+00 2.40 -2.537747440e+00 -2.537747440e+00 2.42 -2.886092476e+00 -2.886092476e+00 2.44 -3.202850801e+00 -3.202850801e+00 2.46 -3.490226748e+00 -3.490226748e+00 2.48 -3.750256633e+00 -3.750256633e+00 2.50 -3.984907358e+00 -3.984907358e+00 2.52 -4.196104191e+00 -4.196104191e+00 2.54 -4.385622628e+00 -4.385622628e+00 2.56 -4.555080309e+00 -4.555080309e+00 2.58 -4.705936036e+00 -4.705936036e+00 2.60 -4.839498502e+00 -4.839498502e+00 2.62 -4.956943273e+00 -4.956943273e+00 2.64 -5.059329684e+00 -5.059329684e+00 2.66 -5.147504878e+00 -5.147504878e+00 2.68 -5.222137641e+00 -5.222137641e+00 2.70 -5.283879913e+00 -5.283879913e+00 2.72 -5.333375436e+00 -5.333375436e+00 2.74 -5.371257916e+00 -5.371257916e+00 2.76 -5.398149107e+00 -5.398149107e+00 2.78 -5.414744854e+00 -5.414744854e+00 2.80 -5.421606045e+00 -5.421606045e+00 2.82 -5.419205770e+00 -5.419205770e+00 2.84 -5.408026813e+00 -5.408026813e+00 2.86 -5.388563146e+00 -5.388563146e+00 2.88 -5.361646764e+00 -5.361646764e+00 2.90 -5.327965868e+00 -5.327965868e+00 2.92 -5.287769949e+00 -5.287769949e+00 2.94 -5.241335128e+00 -5.241335128e+00 2.96 -5.188838881e+00 -5.188838881e+00 2.98 -5.130516014e+00 -5.130516014e+00 3.00 -5.066721962e+00 -5.066721962e+00 3.02 -4.997989272e+00 -4.997989272e+00 3.04 -4.924920160e+00 -4.924920160e+00 3.06 -4.848107759e+00 -4.848107759e+00 3.08 -4.768104325e+00 -4.768104325e+00 3.10 -4.685394549e+00 -4.685394549e+00 3.12 -4.600378046e+00 -4.600378046e+00 3.14 -4.513364595e+00 -4.513364595e+00 3.16 -4.424579725e+00 -4.424579725e+00 3.18 -4.334179255e+00 -4.334179255e+00 3.20 -4.242266994e+00 -4.242266994e+00 3.22 -4.148912836e+00 -4.148912836e+00 3.24 -4.054169081e+00 -4.054169081e+00 3.26 -3.958084287e+00 -3.958084287e+00 3.28 -3.860714734e+00 -3.860714734e+00 3.30 -3.762133972e+00 -3.762133972e+00 3.32 -3.662440858e+00 -3.662440858e+00 3.34 -3.561766319e+00 -3.561766319e+00 3.36 -3.460278766e+00 -3.460278766e+00 3.38 -3.358187888e+00 -3.358187888e+00 3.40 -3.255746385e+00 -3.255746385e+00 3.42 -3.153249370e+00 -3.153249370e+00 3.44 -3.051030716e+00 -3.051030716e+00 3.46 -2.949456749e+00 -2.949456749e+00 3.48 -2.848916956e+00 -2.848916956e+00 3.50 -2.749812168e+00 -2.749812168e+00 3.52 -2.652540683e+00 -2.652540683e+00 3.54 -2.557483050e+00 -2.557483050e+00 3.56 -2.464986502e+00 -2.464986502e+00 3.58 -2.375350311e+00 -2.375350311e+00 3.60 -2.288813602e+00 -2.288813602e+00 3.62 -2.205547089e+00 -2.205547089e+00 3.64 -2.125649794e+00 -2.125649794e+00 3.66 -2.049151047e+00 -2.049151047e+00 3.68 -1.976017172e+00 -1.976017172e+00 3.70 -1.906161585e+00 -1.906161585e+00 3.72 -1.839456687e+00 -1.839456687e+00 3.74 -1.775746021e+00 -1.775746021e+00 3.76 -1.714855513e+00 -1.714855513e+00 3.78 -1.656603069e+00 -1.656603069e+00 3.80 -1.600806237e+00 -1.600806237e+00 3.82 -1.547287924e+00 -1.547287924e+00 3.84 -1.495880371e+00 -1.495880371e+00 3.86 -1.446427684e+00 -1.446427684e+00 3.88 -1.398787216e+00 -1.398787216e+00 3.90 -1.352830110e+00 -1.352830110e+00 3.92 -1.308441217e+00 -1.308441217e+00 3.94 -1.265518909e+00 -1.265518909e+00 3.96 -1.223974159e+00 -1.223974159e+00 3.98 -1.183730102e+00 -1.183730102e+00 4.00 -1.144721276e+00 -1.144721276e+00 4.02 -1.106892904e+00 -1.106892904e+00 4.04 -1.070200128e+00 -1.070200128e+00 4.06 -1.034607127e+00 -1.034607127e+00 4.08 -1.000086057e+00 -1.000086057e+00 4.10 -9.666156060e-01 -9.666156060e-01 4.12 -9.341800466e-01 -9.341800466e-01 4.14 -9.027665458e-01 -9.027665458e-01 4.16 -8.723639624e-01 -8.723639624e-01 4.18 -8.429608493e-01 -8.429608493e-01 4.20 -8.145438308e-01 -8.145438308e-01 4.22 -7.870963312e-01 -7.870963312e-01 4.24 -7.605977554e-01 -7.605977554e-01 4.26 -7.350231580e-01 -7.350231580e-01 4.28 -7.103433695e-01 -7.103433695e-01 4.30 -6.865254913e-01 -6.865254913e-01 4.32 -6.635336434e-01 -6.635336434e-01 4.34 -6.413298377e-01 -6.413298377e-01 4.36 -6.198748704e-01 -6.198748704e-01 4.38 -5.991291498e-01 -5.991291498e-01 4.40 -5.790534096e-01 -5.790534096e-01 4.42 -5.596092892e-01 -5.596092892e-01 4.44 -5.407597808e-01 -5.407597808e-01 4.46 -5.224695650e-01 -5.224695650e-01 4.48 -5.047052603e-01 -5.047052603e-01 4.50 -4.874356164e-01 -4.874356164e-01 4.52 -4.706316780e-01 -4.706316780e-01 4.54 -4.542669420e-01 -4.542669420e-01 4.56 -4.383175199e-01 -4.383175199e-01 4.58 -4.227623107e-01 -4.227623107e-01 4.60 -4.075831777e-01 -4.075831777e-01 4.62 -3.927651144e-01 -3.927651144e-01 4.64 -3.782963732e-01 -3.782963732e-01 4.66 -3.641685278e-01 -3.641685278e-01 4.68 -3.503764358e-01 -3.503764358e-01 4.70 -3.369180726e-01 -3.369180726e-01 4.72 -3.237942167e-01 -3.237942167e-01 4.74 -3.110079852e-01 -3.110079852e-01 4.76 -2.985642355e-01 -2.985642355e-01 4.78 -2.864688757e-01 -2.864688757e-01 4.80 -2.747280583e-01 -2.747280583e-01 4.82 -2.633478422e-01 -2.633478422e-01 4.84 -2.523330770e-01 -2.523330770e-01 4.86 -2.416873758e-01 -2.416873758e-01 4.88 -2.314128114e-01 -2.314128114e-01 4.90 -2.215099152e-01 -2.215099152e-01 4.92 -2.119778473e-01 -2.119778473e-01 4.94 -2.028146766e-01 -2.028146766e-01 4.96 -1.940176956e-01 -1.940176956e-01 4.98 -1.855836896e-01 -1.855836896e-01 5.00 -1.775090977e-01 -1.775090977e-01 5.02 -1.697900262e-01 -1.697900262e-01 5.04 -1.624221078e-01 -1.624221078e-01 5.06 -1.554002399e-01 -1.554002399e-01 5.08 -1.487182556e-01 -1.487182556e-01 5.10 -1.423685943e-01 -1.423685943e-01 5.12 -1.363420222e-01 -1.363420222e-01 5.14 -1.306270930e-01 -1.306270930e-01 5.16 -1.252111092e-01 -1.252111092e-01 5.18 -1.200798698e-01 -1.200798698e-01 5.20 -1.152176458e-01 -1.152176458e-01 5.22 -1.106075648e-01 -1.106075648e-01 5.24 -1.062320260e-01 -1.062320260e-01 5.26 -1.020731054e-01 -1.020731054e-01 5.28 -9.811292118e-02 -9.811292118e-02 5.30 -9.433393896e-02 -9.433393896e-02 5.32 -9.071920870e-02 -9.071920870e-02 5.34 -8.725253365e-02 -8.725253365e-02 5.36 -8.391857866e-02 -8.391857866e-02 5.38 -8.070292890e-02 -8.070292890e-02 5.40 -7.759211184e-02 -7.759211184e-02 5.42 -7.457359575e-02 -7.457359575e-02 5.44 -7.163577660e-02 -7.163577660e-02 5.46 -6.876796424e-02 -6.876796424e-02 5.48 -6.596037644e-02 -6.596037644e-02 5.50 -6.320414785e-02 -6.320414785e-02 5.52 -6.049135858e-02 -6.049135858e-02 5.54 -5.781508501e-02 -5.781508501e-02 5.56 -5.516947339e-02 -5.516947339e-02 5.58 -5.254983370e-02 -5.254983370e-02 5.60 -4.995274881e-02 -4.995274881e-02 5.62 -4.737619070e-02 -4.737619070e-02 5.64 -4.481963234e-02 -4.481963234e-02 5.66 -4.228414129e-02 -4.228414129e-02 5.68 -3.977243641e-02 -3.977243641e-02 5.70 -3.728889424e-02 -3.728889424e-02 5.72 -3.483948677e-02 -3.483948677e-02 5.74 -3.243163787e-02 -3.243163787e-02 5.76 -3.007399230e-02 -3.007399230e-02 5.78 -2.777609883e-02 -2.777609883e-02 5.80 -2.554802212e-02 -2.554802212e-02 5.82 -2.339989837e-02 -2.339989837e-02 5.84 -2.134146894e-02 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