# 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 = AlPd2Ta # 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 2.881802711e+02 2.881802711e+02 1.30 2.679797360e+02 2.679797360e+02 1.32 2.492278273e+02 2.492278273e+02 1.34 2.318114574e+02 2.318114574e+02 1.36 2.156237812e+02 2.156237812e+02 1.38 2.005644367e+02 2.005644367e+02 1.40 1.865408091e+02 1.865408091e+02 1.42 1.734691923e+02 1.734691923e+02 1.44 1.612754483e+02 1.612754483e+02 1.46 1.498950526e+02 1.498950526e+02 1.48 1.392719705e+02 1.392719705e+02 1.50 1.293562225e+02 1.293562225e+02 1.52 1.201011840e+02 1.201011840e+02 1.54 1.114618883e+02 1.114618883e+02 1.56 1.033946146e+02 1.033946146e+02 1.58 9.585725498e+01 9.585725498e+01 1.60 8.880996400e+01 8.880996400e+01 1.62 8.221584392e+01 8.221584392e+01 1.64 7.604149574e+01 7.604149574e+01 1.66 7.025722374e+01 7.025722374e+01 1.68 6.483671888e+01 6.483671888e+01 1.70 5.975625522e+01 5.975625522e+01 1.72 5.499390421e+01 5.499390421e+01 1.74 5.053203894e+01 5.053203894e+01 1.76 4.635111476e+01 4.635111476e+01 1.78 4.243202277e+01 4.243202277e+01 1.80 3.877790000e+01 3.877790000e+01 1.82 3.537971045e+01 3.537971045e+01 1.84 3.221955459e+01 3.221955459e+01 1.86 2.928113757e+01 2.928113757e+01 1.88 2.654976147e+01 2.654976147e+01 1.90 2.401203572e+01 2.401203572e+01 1.92 2.165569616e+01 2.165569616e+01 1.94 1.946951843e+01 1.946951843e+01 1.96 1.744323558e+01 1.744323558e+01 1.98 1.556737396e+01 1.556737396e+01 2.00 1.383299627e+01 1.383299627e+01 2.02 1.223142661e+01 1.223142661e+01 2.04 1.075406378e+01 1.075406378e+01 2.06 9.392344651e+00 9.392344651e+00 2.08 8.137839960e+00 8.137839960e+00 2.10 6.982413899e+00 6.982413899e+00 2.12 5.918378031e+00 5.918378031e+00 2.14 4.938599813e+00 4.938599813e+00 2.16 4.036555740e+00 4.036555740e+00 2.18 3.206336432e+00 3.206336432e+00 2.20 2.442616567e+00 2.442616567e+00 2.22 1.740601449e+00 1.740601449e+00 2.24 1.095959357e+00 1.095959357e+00 2.26 5.047471367e-01 5.047471367e-01 2.28 -3.666381522e-02 -3.666381522e-02 2.30 -5.316540698e-01 -5.316540698e-01 2.32 -9.834090953e-01 -9.834090953e-01 2.34 -1.394954426e+00 -1.394954426e+00 2.36 -1.769172387e+00 -1.769172387e+00 2.38 -2.108803703e+00 -2.108803703e+00 2.40 -2.416395444e+00 -2.416395444e+00 2.42 -2.694295998e+00 -2.694295998e+00 2.44 -2.944963583e+00 -2.944963583e+00 2.46 -3.170691066e+00 -3.170691066e+00 2.48 -3.373594531e+00 -3.373594531e+00 2.50 -3.555625509e+00 -3.555625509e+00 2.52 -3.718574781e+00 -3.718574781e+00 2.54 -3.863979795e+00 -3.863979795e+00 2.56 -3.993009942e+00 -3.993009942e+00 2.58 -4.106764832e+00 -4.106764832e+00 2.60 -4.206312166e+00 -4.206312166e+00 2.62 -4.292673115e+00 -4.292673115e+00 2.64 -4.366810586e+00 -4.366810586e+00 2.66 -4.429617065e+00 -4.429617065e+00 2.68 -4.481903687e+00 -4.481903687e+00 2.70 -4.524394277e+00 -4.524394277e+00 2.72 -4.557727066e+00 -4.557727066e+00 2.74 -4.582463770e+00 -4.582463770e+00 2.76 -4.599103467e+00 -4.599103467e+00 2.78 -4.608098208e+00 -4.608098208e+00 2.80 -4.609868084e+00 -4.609868084e+00 2.82 -4.605135816e+00 -4.605135816e+00 2.84 -4.595324370e+00 -4.595324370e+00 2.86 -4.580461132e+00 -4.580461132e+00 2.88 -4.560482370e+00 -4.560482370e+00 2.90 -4.535413361e+00 -4.535413361e+00 2.92 -4.505354491e+00 -4.505354491e+00 2.94 -4.470465888e+00 -4.470465888e+00 2.96 -4.430951142e+00 -4.430951142e+00 2.98 -4.387043072e+00 -4.387043072e+00 3.00 -4.339010242e+00 -4.339010242e+00 3.02 -4.287180890e+00 -4.287180890e+00 3.04 -4.231893390e+00 -4.231893390e+00 3.06 -4.173464373e+00 -4.173464373e+00 3.08 -4.112188648e+00 -4.112188648e+00 3.10 -4.048338624e+00 -4.048338624e+00 3.12 -3.982163006e+00 -3.982163006e+00 3.14 -3.913885933e+00 -3.913885933e+00 3.16 -3.843707815e+00 -3.843707815e+00 3.18 -3.771808925e+00 -3.771808925e+00 3.20 -3.698355677e+00 -3.698355677e+00 3.22 -3.623508821e+00 -3.623508821e+00 3.24 -3.547432187e+00 -3.547432187e+00 3.26 -3.470300456e+00 -3.470300456e+00 3.28 -3.392304601e+00 -3.392304601e+00 3.30 -3.313654034e+00 -3.313654034e+00 3.32 -3.234575036e+00 -3.234575036e+00 3.34 -3.155305578e+00 -3.155305578e+00 3.36 -3.076087262e+00 -3.076087262e+00 3.38 -2.997155494e+00 -2.997155494e+00 3.40 -2.918729263e+00 -2.918729263e+00 3.42 -2.841001897e+00 -2.841001897e+00 3.44 -2.764133866e+00 -2.764133866e+00 3.46 -2.688248359e+00 -2.688248359e+00 3.48 -2.613429846e+00 -2.613429846e+00 3.50 -2.539725428e+00 -2.539725428e+00 3.52 -2.467148494e+00 -2.467148494e+00 3.54 -2.395684072e+00 -2.395684072e+00 3.56 -2.325295214e+00 -2.325295214e+00 3.58 -2.255929887e+00 -2.255929887e+00 3.60 -2.187527916e+00 -2.187527916e+00 3.62 -2.120027707e+00 -2.120027707e+00 3.64 -2.053372513e+00 -2.053372513e+00 3.66 -1.987516102e+00 -1.987516102e+00 3.68 -1.922427680e+00 -1.922427680e+00 3.70 -1.858095891e+00 -1.858095891e+00 3.72 -1.794531694e+00 -1.794531694e+00 3.74 -1.731769911e+00 -1.731769911e+00 3.76 -1.669869205e+00 -1.669869205e+00 3.78 -1.608910372e+00 -1.608910372e+00 3.80 -1.548992911e+00 -1.548992911e+00 3.82 -1.490230010e+00 -1.490230010e+00 3.84 -1.432742282e+00 -1.432742282e+00 3.86 -1.376650762e+00 -1.376650762e+00 3.88 -1.322069788e+00 -1.322069788e+00 3.90 -1.269100444e+00 -1.269100444e+00 3.92 -1.217825168e+00 -1.217825168e+00 3.94 -1.168304014e+00 -1.168304014e+00 3.96 -1.120572762e+00 -1.120572762e+00 3.98 -1.074642972e+00 -1.074642972e+00 4.00 -1.030503711e+00 -1.030503711e+00 4.02 -9.881246155e-01 -9.881246155e-01 4.04 -9.474597837e-01 -9.474597837e-01 4.06 -9.084520165e-01 -9.084520165e-01 4.08 -8.710369295e-01 -8.710369295e-01 4.10 -8.351465745e-01 -8.351465745e-01 4.12 -8.007124020e-01 -8.007124020e-01 4.14 -7.676673467e-01 -7.676673467e-01 4.16 -7.359472950e-01 -7.359472950e-01 4.18 -7.054919299e-01 -7.054919299e-01 4.20 -6.762452010e-01 -6.762452010e-01 4.22 -6.481555648e-01 -6.481555648e-01 4.24 -6.211760784e-01 -6.211760784e-01 4.26 -5.952643457e-01 -5.952643457e-01 4.28 -5.703822474e-01 -5.703822474e-01 4.30 -5.464953613e-01 -5.464953613e-01 4.32 -5.235720169e-01 -5.235720169e-01 4.34 -5.015819987e-01 -5.015819987e-01 4.36 -4.804950085e-01 -4.804950085e-01 4.38 -4.602790728e-01 -4.602790728e-01 4.40 -4.408991192e-01 -4.408991192e-01 4.42 -4.223159295e-01 -4.223159295e-01 4.44 -4.044856221e-01 -4.044856221e-01 4.46 -3.873597257e-01 -3.873597257e-01 4.48 -3.708858244e-01 -3.708858244e-01 4.50 -3.550086810e-01 -3.550086810e-01 4.52 -3.396717045e-01 -3.396717045e-01 4.54 -3.248186168e-01 -3.248186168e-01 4.56 -3.103951812e-01 -3.103951812e-01 4.58 -2.963508775e-01 -2.963508775e-01 4.60 -2.826404324e-01 -2.826404324e-01 4.62 -2.692251344e-01 -2.692251344e-01 4.64 -2.560738739e-01 -2.560738739e-01 4.66 -2.431638599e-01 -2.431638599e-01 4.68 -2.304809704e-01 -2.304809704e-01 4.70 -2.180197045e-01 -2.180197045e-01 4.72 -2.057827228e-01 -2.057827228e-01 4.74 -1.937799913e-01 -1.937799913e-01 4.76 -1.820275778e-01 -1.820275778e-01 4.78 -1.705461897e-01 -1.705461897e-01 4.80 -1.593595684e-01 -1.593595684e-01 4.82 -1.484929139e-01 -1.484929139e-01 4.84 -1.379713855e-01 -1.379713855e-01 4.86 -1.278189153e-01 -1.278189153e-01 4.88 -1.180573056e-01 -1.180573056e-01 4.90 -1.087056626e-01 -1.087056626e-01 4.92 -9.978011583e-02 -9.978011583e-02 4.94 -9.129375661e-02 -9.129375661e-02 4.96 -8.325668545e-02 -8.325668545e-02 4.98 -7.567609467e-02 -7.567609467e-02 5.00 -6.855630316e-02 -6.855630316e-02 5.02 -6.189872363e-02 -6.189872363e-02 5.04 -5.570151009e-02 -5.570151009e-02 5.06 -4.995973510e-02 -4.995973510e-02 5.08 -4.466582989e-02 -4.466582989e-02 5.10 -3.980881190e-02 -3.980881190e-02 5.12 -3.537441677e-02 -3.537441677e-02 5.14 -3.134538306e-02 -3.134538306e-02 5.16 -2.770184014e-02 -2.770184014e-02 5.18 -2.442180129e-02 -2.442180129e-02 5.20 -2.148170628e-02 -2.148170628e-02 5.22 -1.885698814e-02 -1.885698814e-02 5.24 -1.652263861e-02 -1.652263861e-02 5.26 -1.445371766e-02 -1.445371766e-02 5.28 -1.262565026e-02 -1.262565026e-02 5.30 -1.101502600e-02 -1.101502600e-02 5.32 -9.599673922e-03 -9.599673922e-03 5.34 -8.358774790e-03 -8.358774790e-03 5.36 -7.273008799e-03 -7.273008799e-03 5.38 -6.324631044e-03 -6.324631044e-03 5.40 -5.497488076e-03 -5.497488076e-03 5.42 -4.776988706e-03 -4.776988706e-03 5.44 -4.150041155e-03 -4.150041155e-03 5.46 -3.604967032e-03 -3.604967032e-03 5.48 -3.131400898e-03 -3.131400898e-03 5.50 -2.720182326e-03 -2.720182326e-03 5.52 -2.363245817e-03 -2.363245817e-03 5.54 -2.053512446e-03 -2.053512446e-03 5.56 -1.784785988e-03 -1.784785988e-03 5.58 -1.551655295e-03 -1.551655295e-03 5.60 -1.349403968e-03 -1.349403968e-03 5.62 -1.173927814e-03 -1.173927814e-03 5.64 -1.021660179e-03 -1.021660179e-03 5.66 -8.895049619e-04 -8.895049619e-04 5.68 -7.747769278e-04 -7.747769278e-04 5.70 -6.751488237e-04 -6.751488237e-04 5.72 -5.886047505e-04 -5.886047505e-04 5.74 -5.133992087e-04 -5.133992087e-04 5.76 -4.480212467e-04 -4.480212467e-04 5.78 -3.911631644e-04 -3.911631644e-04 5.80 -3.416932560e-04 -3.416932560e-04 5.82 -2.986321151e-04 -2.986321151e-04 5.84 -2.611320712e-04 -2.611320712e-04 5.86 -2.284593643e-04 -2.284593643e-04 5.88 -1.999787126e-04 -1.999787126e-04 5.90 -1.751399597e-04 -1.751399597e-04 5.92 -1.534665319e-04 -1.534665319e-04 5.94 -1.345454634e-04 -1.345454634e-04 5.96 -1.180187798e-04 -1.180187798e-04 5.98 -1.035760577e-04 -1.035760577e-04 6.00 -9.094799938e-05 -9.094799938e-05