# 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 = PbPd2Ti # 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 3.629888265e+02 3.629888265e+02 1.30 3.380111182e+02 3.380111182e+02 1.32 3.148040292e+02 3.148040292e+02 1.34 2.932278806e+02 2.932278806e+02 1.36 2.731547238e+02 2.731547238e+02 1.38 2.544680507e+02 2.544680507e+02 1.40 2.370627882e+02 2.370627882e+02 1.42 2.208440116e+02 2.208440116e+02 1.44 2.057247450e+02 2.057247450e+02 1.46 1.916243851e+02 1.916243851e+02 1.48 1.784682758e+02 1.784682758e+02 1.50 1.661876866e+02 1.661876866e+02 1.52 1.547194779e+02 1.547194779e+02 1.54 1.440053941e+02 1.440053941e+02 1.56 1.339913268e+02 1.339913268e+02 1.58 1.246268155e+02 1.246268155e+02 1.60 1.158649273e+02 1.158649273e+02 1.62 1.076623866e+02 1.076623866e+02 1.64 9.997972183e+01 9.997972183e+01 1.66 9.278124533e+01 9.278124533e+01 1.68 8.603478021e+01 8.603478021e+01 1.70 7.971109234e+01 7.971109234e+01 1.72 7.378309306e+01 7.378309306e+01 1.74 6.822519660e+01 6.822519660e+01 1.76 6.302498541e+01 6.302498541e+01 1.78 5.818589114e+01 5.818589114e+01 1.80 5.368286236e+01 5.368286236e+01 1.82 4.949174159e+01 4.949174159e+01 1.84 4.559059603e+01 4.559059603e+01 1.86 4.195946258e+01 4.195946258e+01 1.88 3.858002155e+01 3.858002155e+01 1.90 3.543529712e+01 3.543529712e+01 1.92 3.250946551e+01 3.250946551e+01 1.94 2.978774592e+01 2.978774592e+01 1.96 2.725634321e+01 2.725634321e+01 1.98 2.490238580e+01 2.490238580e+01 2.00 2.271385154e+01 2.271385154e+01 2.02 2.067949104e+01 2.067949104e+01 2.04 1.878875812e+01 1.878875812e+01 2.06 1.703176042e+01 1.703176042e+01 2.08 1.539923601e+01 1.539923601e+01 2.10 1.388255470e+01 1.388255470e+01 2.12 1.247371880e+01 1.247371880e+01 2.14 1.116535195e+01 1.116535195e+01 2.16 9.950667079e+00 9.950667079e+00 2.18 8.823421169e+00 8.823421169e+00 2.20 7.777862962e+00 7.777862962e+00 2.22 6.808683304e+00 6.808683304e+00 2.24 5.910965839e+00 5.910965839e+00 2.26 5.080138284e+00 5.080138284e+00 2.28 4.311921272e+00 4.311921272e+00 2.30 3.602286115e+00 3.602286115e+00 2.32 2.947416001e+00 2.947416001e+00 2.34 2.343685677e+00 2.343685677e+00 2.36 1.787650087e+00 1.787650087e+00 2.38 1.276041595e+00 1.276041595e+00 2.40 8.057693567e-01 8.057693567e-01 2.42 3.739182870e-01 3.739182870e-01 2.44 -2.225422046e-02 -2.225422046e-02 2.46 -3.853228591e-01 -3.853228591e-01 2.48 -7.176998032e-01 -7.176998032e-01 2.50 -1.021638370e+00 -1.021638370e+00 2.52 -1.299233147e+00 -1.299233147e+00 2.54 -1.552417013e+00 -1.552417013e+00 2.56 -1.782958349e+00 -1.782958349e+00 2.58 -1.992465406e+00 -1.992465406e+00 2.60 -2.182442823e+00 -2.182442823e+00 2.62 -2.354176368e+00 -2.354176368e+00 2.64 -2.508814443e+00 -2.508814443e+00 2.66 -2.647422652e+00 -2.647422652e+00 2.68 -2.770999422e+00 -2.770999422e+00 2.70 -2.880485589e+00 -2.880485589e+00 2.72 -2.976771312e+00 -2.976771312e+00 2.74 -3.060700457e+00 -3.060700457e+00 2.76 -3.133112716e+00 -3.133112716e+00 2.78 -3.195232936e+00 -3.195232936e+00 2.80 -3.247568833e+00 -3.247568833e+00 2.82 -3.290476569e+00 -3.290476569e+00 2.84 -3.324352329e+00 -3.324352329e+00 2.86 -3.349629042e+00 -3.349629042e+00 2.88 -3.366774369e+00 -3.366774369e+00 2.90 -3.376287836e+00 -3.376287836e+00 2.92 -3.378695476e+00 -3.378695476e+00 2.94 -3.374559969e+00 -3.374559969e+00 2.96 -3.364516531e+00 -3.364516531e+00 2.98 -3.349192795e+00 -3.349192795e+00 3.00 -3.329178971e+00 -3.329178971e+00 3.02 -3.305021554e+00 -3.305021554e+00 3.04 -3.277218832e+00 -3.277218832e+00 3.06 -3.246221504e+00 -3.246221504e+00 3.08 -3.212428135e+00 -3.212428135e+00 3.10 -3.176189287e+00 -3.176189287e+00 3.12 -3.137809409e+00 -3.137809409e+00 3.14 -3.097555208e+00 -3.097555208e+00 3.16 -3.055657850e+00 -3.055657850e+00 3.18 -3.012323056e+00 -3.012323056e+00 3.20 -2.967735852e+00 -2.967735852e+00 3.22 -2.922071073e+00 -2.922071073e+00 3.24 -2.875511389e+00 -2.875511389e+00 3.26 -2.828170751e+00 -2.828170751e+00 3.28 -2.780148208e+00 -2.780148208e+00 3.30 -2.731537503e+00 -2.731537503e+00 3.32 -2.682427278e+00 -2.682427278e+00 3.34 -2.632901778e+00 -2.632901778e+00 3.36 -2.583041829e+00 -2.583041829e+00 3.38 -2.532925816e+00 -2.532925816e+00 3.40 -2.482628414e+00 -2.482628414e+00 3.42 -2.432216383e+00 -2.432216383e+00 3.44 -2.381756181e+00 -2.381756181e+00 3.46 -2.331317252e+00 -2.331317252e+00 3.48 -2.280971933e+00 -2.280971933e+00 3.50 -2.230795275e+00 -2.230795275e+00 3.52 -2.180864363e+00 -2.180864363e+00 3.54 -2.131256900e+00 -2.131256900e+00 3.56 -2.082049002e+00 -2.082049002e+00 3.58 -2.033312364e+00 -2.033312364e+00 3.60 -1.985111240e+00 -1.985111240e+00 3.62 -1.937499797e+00 -1.937499797e+00 3.64 -1.890520406e+00 -1.890520406e+00 3.66 -1.844203173e+00 -1.844203173e+00 3.68 -1.798566704e+00 -1.798566704e+00 3.70 -1.753619796e+00 -1.753619796e+00 3.72 -1.709363614e+00 -1.709363614e+00 3.74 -1.665793895e+00 -1.665793895e+00 3.76 -1.622902890e+00 -1.622902890e+00 3.78 -1.580680872e+00 -1.580680872e+00 3.80 -1.539117234e+00 -1.539117234e+00 3.82 -1.498201251e+00 -1.498201251e+00 3.84 -1.457922638e+00 -1.457922638e+00 3.86 -1.418272002e+00 -1.418272002e+00 3.88 -1.379241260e+00 -1.379241260e+00 3.90 -1.340824055e+00 -1.340824055e+00 3.92 -1.303015768e+00 -1.303015768e+00 3.94 -1.265815682e+00 -1.265815682e+00 3.96 -1.229224669e+00 -1.229224669e+00 3.98 -1.193247519e+00 -1.193247519e+00 4.00 -1.157892785e+00 -1.157892785e+00 4.02 -1.123173026e+00 -1.123173026e+00 4.04 -1.089104881e+00 -1.089104881e+00 4.06 -1.055708863e+00 -1.055708863e+00 4.08 -1.023008804e+00 -1.023008804e+00 4.10 -9.910298693e-01 -9.910298693e-01 4.12 -9.598013787e-01 -9.598013787e-01 4.14 -9.293484261e-01 -9.293484261e-01 4.16 -8.996945916e-01 -8.996945916e-01 4.18 -8.708587626e-01 -8.708587626e-01 4.20 -8.428534224e-01 -8.428534224e-01 4.22 -8.156833758e-01 -8.156833758e-01 4.24 -7.893450511e-01 -7.893450511e-01 4.26 -7.638264277e-01 -7.638264277e-01 4.28 -7.391075431e-01 -7.391075431e-01 4.30 -7.151614626e-01 -7.151614626e-01 4.32 -6.919555517e-01 -6.919555517e-01 4.34 -6.694528858e-01 -6.694528858e-01 4.36 -6.476136533e-01 -6.476136533e-01 4.38 -6.263964464e-01 -6.263964464e-01 4.40 -6.057593795e-01 -6.057593795e-01 4.42 -5.856610138e-01 -5.856610138e-01 4.44 -5.660611016e-01 -5.660611016e-01 4.46 -5.469211817e-01 -5.469211817e-01 4.48 -5.282050716e-01 -5.282050716e-01 4.50 -5.098793020e-01 -5.098793020e-01 4.52 -4.919135357e-01 -4.919135357e-01 4.54 -4.742810022e-01 -4.742810022e-01 4.56 -4.569589658e-01 -4.569589658e-01 4.58 -4.399292252e-01 -4.399292252e-01 4.60 -4.231786287e-01 -4.231786287e-01 4.62 -4.066995612e-01 -4.066995612e-01 4.64 -3.904903508e-01 -3.904903508e-01 4.66 -3.745555195e-01 -3.745555195e-01 4.68 -3.589058052e-01 -3.589058052e-01 4.70 -3.435578816e-01 -3.435578816e-01 4.72 -3.285337254e-01 -3.285337254e-01 4.74 -3.138596121e-01 -3.138596121e-01 4.76 -2.995647653e-01 -2.995647653e-01 4.78 -2.856797373e-01 -2.856797373e-01 4.80 -2.722338420e-01 -2.722338420e-01 4.82 -2.592567078e-01 -2.592567078e-01 4.84 -2.467714978e-01 -2.467714978e-01 4.86 -2.347972416e-01 -2.347972416e-01 4.88 -2.233470312e-01 -2.233470312e-01 4.90 -2.124276392e-01 -2.124276392e-01 4.92 -2.020396000e-01 -2.020396000e-01 4.94 -1.921776856e-01 -1.921776856e-01 4.96 -1.828316678e-01 -1.828316678e-01 4.98 -1.739872410e-01 -1.739872410e-01 5.00 -1.656269825e-01 -1.656269825e-01 5.02 -1.577312435e-01 -1.577312435e-01 5.04 -1.502789204e-01 -1.502789204e-01 5.06 -1.432480648e-01 -1.432480648e-01 5.08 -1.366163393e-01 -1.366163393e-01 5.10 -1.303613388e-01 -1.303613388e-01 5.12 -1.244608305e-01 -1.244608305e-01 5.14 -1.188929418e-01 -1.188929418e-01 5.16 -1.136361308e-01 -1.136361308e-01 5.18 -1.086691908e-01 -1.086691908e-01 5.20 -1.039727576e-01 -1.039727576e-01 5.22 -9.952827646e-02 -9.952827646e-02 5.24 -9.531806967e-02 -9.531806967e-02 5.26 -9.132547255e-02 -9.132547255e-02 5.28 -8.753490194e-02 -8.753490194e-02 5.30 -8.393180906e-02 -8.393180906e-02 5.32 -8.050263541e-02 -8.050263541e-02 5.34 -7.723495353e-02 -7.723495353e-02 5.36 -7.411717177e-02 -7.411717177e-02 5.38 -7.113841295e-02 -7.113841295e-02 5.40 -6.828840958e-02 -6.828840958e-02 5.42 -6.555741505e-02 -6.555741505e-02 5.44 -6.293613731e-02 -6.293613731e-02 5.46 -6.041569836e-02 -6.041569836e-02 5.48 -5.798761959e-02 -5.798761959e-02 5.50 -5.564383090e-02 -5.564383090e-02 5.52 -5.337670039e-02 -5.337670039e-02 5.54 -5.117908034e-02 -5.117908034e-02 5.56 -4.904436522e-02 -4.904436522e-02 5.58 -4.696655733e-02 -4.696655733e-02 5.60 -4.494033557e-02 -4.494033557e-02 5.62 -4.296112272e-02 -4.296112272e-02 5.64 -4.102514613e-02 -4.102514613e-02 5.66 -3.912948631e-02 -3.912948631e-02 5.68 -3.727210756e-02 -3.727210756e-02 5.70 -3.545186519e-02 -3.545186519e-02 5.72 -3.366848214e-02 -3.366848214e-02 5.74 -3.192249192e-02 -3.192249192e-02 5.76 -3.021514883e-02 -3.021514883e-02 5.78 -2.854830336e-02 -2.854830336e-02 5.80 -2.692424924e-02 -2.692424924e-02 5.82 -2.534555082e-02 -2.534555082e-02 5.84 -2.381486251e-02 -2.381486251e-02 5.86 -2.233475376e-02 -2.233475376e-02 5.88 -2.090755614e-02 -2.090755614e-02 5.90 -1.953523542e-02 -1.953523542e-02 5.92 -1.821930409e-02 -1.821930409e-02 5.94 -1.696077622e-02 -1.696077622e-02 5.96 -1.576016275e-02 -1.576016275e-02 5.98 -1.461750144e-02 -1.461750144e-02 6.00 -1.353241295e-02 -1.353241295e-02