# 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 = FePdTa2 # 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 3.464637009e+02 3.464637009e+02 1.30 3.204889228e+02 3.204889228e+02 1.32 2.964898618e+02 2.964898618e+02 1.34 2.743056692e+02 2.743056692e+02 1.36 2.537853194e+02 2.537853194e+02 1.38 2.347885662e+02 2.347885662e+02 1.40 2.171875091e+02 2.171875091e+02 1.42 2.008675425e+02 2.008675425e+02 1.44 1.857270406e+02 1.857270406e+02 1.46 1.716758314e+02 1.716758314e+02 1.48 1.586330266e+02 1.586330266e+02 1.50 1.465248468e+02 1.465248468e+02 1.52 1.352828958e+02 1.352828958e+02 1.54 1.248431037e+02 1.248431037e+02 1.56 1.151453411e+02 1.151453411e+02 1.58 1.061335133e+02 1.061335133e+02 1.60 9.775583474e+01 9.775583474e+01 1.62 8.996500852e+01 8.996500852e+01 1.64 8.271815261e+01 8.271815261e+01 1.66 7.597644698e+01 7.597644698e+01 1.68 6.970456794e+01 6.970456794e+01 1.70 6.387002393e+01 6.387002393e+01 1.72 5.844252334e+01 5.844252334e+01 1.74 5.339350123e+01 5.339350123e+01 1.76 4.869588072e+01 4.869588072e+01 1.78 4.432404301e+01 4.432404301e+01 1.80 4.025389894e+01 4.025389894e+01 1.82 3.646336227e+01 3.646336227e+01 1.84 3.293918765e+01 3.293918765e+01 1.86 2.966441540e+01 2.966441540e+01 1.88 2.662067510e+01 2.662067510e+01 1.90 2.379688446e+01 2.379688446e+01 1.92 2.118895840e+01 2.118895840e+01 1.94 1.878247459e+01 1.878247459e+01 1.96 1.656378334e+01 1.656378334e+01 1.98 1.452007113e+01 1.452007113e+01 2.00 1.263912097e+01 1.263912097e+01 2.02 1.090918091e+01 1.090918091e+01 2.04 9.318962311e+00 9.318962311e+00 2.06 7.857739597e+00 7.857739597e+00 2.08 6.515485725e+00 6.515485725e+00 2.10 5.282977208e+00 5.282977208e+00 2.12 4.151833016e+00 4.151833016e+00 2.14 3.114487823e+00 3.114487823e+00 2.16 2.164120567e+00 2.164120567e+00 2.18 1.294561615e+00 1.294561615e+00 2.20 5.001943912e-01 5.001943912e-01 2.22 -2.241409272e-01 -2.241409272e-01 2.24 -8.832390202e-01 -8.832390202e-01 2.26 -1.481614787e+00 -1.481614787e+00 2.28 -2.023579187e+00 -2.023579187e+00 2.30 -2.513299534e+00 -2.513299534e+00 2.32 -2.954836462e+00 -2.954836462e+00 2.34 -3.352150915e+00 -3.352150915e+00 2.36 -3.709079543e+00 -3.709079543e+00 2.38 -4.029284775e+00 -4.029284775e+00 2.40 -4.316193740e+00 -4.316193740e+00 2.42 -4.572944105e+00 -4.572944105e+00 2.44 -4.802352283e+00 -4.802352283e+00 2.46 -5.006910819e+00 -5.006910819e+00 2.48 -5.188726097e+00 -5.188726097e+00 2.50 -5.349566156e+00 -5.349566156e+00 2.52 -5.491413335e+00 -5.491413335e+00 2.54 -5.616014847e+00 -5.616014847e+00 2.56 -5.724884794e+00 -5.724884794e+00 2.58 -5.819341135e+00 -5.819341135e+00 2.60 -5.900537709e+00 -5.900537709e+00 2.62 -5.969479467e+00 -5.969479467e+00 2.64 -6.026767172e+00 -6.026767172e+00 2.66 -6.072701956e+00 -6.072701956e+00 2.68 -6.107628286e+00 -6.107628286e+00 2.70 -6.131921437e+00 -6.131921437e+00 2.72 -6.145965632e+00 -6.145965632e+00 2.74 -6.150139293e+00 -6.150139293e+00 2.76 -6.144806740e+00 -6.144806740e+00 2.78 -6.130315630e+00 -6.130315630e+00 2.80 -6.106999273e+00 -6.106999273e+00 2.82 -6.075182637e+00 -6.075182637e+00 2.84 -6.035190543e+00 -6.035190543e+00 2.86 -5.987356211e+00 -5.987356211e+00 2.88 -5.932028250e+00 -5.932028250e+00 2.90 -5.869576538e+00 -5.869576538e+00 2.92 -5.800655045e+00 -5.800655045e+00 2.94 -5.725706807e+00 -5.725706807e+00 2.96 -5.644964268e+00 -5.644964268e+00 2.98 -5.558688987e+00 -5.558688987e+00 3.00 -5.467156233e+00 -5.467156233e+00 3.02 -5.370641831e+00 -5.370641831e+00 3.04 -5.269405093e+00 -5.269405093e+00 3.06 -5.163689678e+00 -5.163689678e+00 3.08 -5.053728603e+00 -5.053728603e+00 3.10 -4.939772754e+00 -4.939772754e+00 3.12 -4.822080402e+00 -4.822080402e+00 3.14 -4.700917574e+00 -4.700917574e+00 3.16 -4.576577102e+00 -4.576577102e+00 3.18 -4.449397478e+00 -4.449397478e+00 3.20 -4.319739743e+00 -4.319739743e+00 3.22 -4.187989246e+00 -4.187989246e+00 3.24 -4.054629405e+00 -4.054629405e+00 3.26 -3.920244312e+00 -3.920244312e+00 3.28 -3.785505300e+00 -3.785505300e+00 3.30 -3.651147163e+00 -3.651147163e+00 3.32 -3.517935250e+00 -3.517935250e+00 3.34 -3.386626274e+00 -3.386626274e+00 3.36 -3.257926964e+00 -3.257926964e+00 3.38 -3.132455288e+00 -3.132455288e+00 3.40 -3.010708659e+00 -3.010708659e+00 3.42 -2.893042423e+00 -2.893042423e+00 3.44 -2.779660256e+00 -2.779660256e+00 3.46 -2.670616329e+00 -2.670616329e+00 3.48 -2.565827592e+00 -2.565827592e+00 3.50 -2.465093577e+00 -2.465093577e+00 3.52 -2.368120801e+00 -2.368120801e+00 3.54 -2.274549036e+00 -2.274549036e+00 3.56 -2.183977305e+00 -2.183977305e+00 3.58 -2.095988125e+00 -2.095988125e+00 3.60 -2.010169213e+00 -2.010169213e+00 3.62 -1.926132364e+00 -1.926132364e+00 3.64 -1.843529552e+00 -1.843529552e+00 3.66 -1.762066410e+00 -1.762066410e+00 3.68 -1.681513216e+00 -1.681513216e+00 3.70 -1.601713356e+00 -1.601713356e+00 3.72 -1.522589055e+00 -1.522589055e+00 3.74 -1.444143995e+00 -1.444143995e+00 3.76 -1.366462343e+00 -1.366462343e+00 3.78 -1.289703795e+00 -1.289703795e+00 3.80 -1.214094425e+00 -1.214094425e+00 3.82 -1.139913491e+00 -1.139913491e+00 3.84 -1.067476820e+00 -1.067476820e+00 3.86 -9.971178321e-01 -9.971178321e-01 3.88 -9.291676741e-01 -9.291676741e-01 3.90 -8.639360924e-01 -8.639360924e-01 3.92 -8.016946674e-01 -8.016946674e-01 3.94 -7.426637305e-01 -7.426637305e-01 3.96 -6.870038193e-01 -6.870038193e-01 3.98 -6.348119672e-01 -6.348119672e-01 4.00 -5.861225553e-01 -5.861225553e-01 4.02 -5.409120006e-01 -5.409120006e-01 4.04 -4.991062534e-01 -4.991062534e-01 4.06 -4.605899562e-01 -4.605899562e-01 4.08 -4.252161624e-01 -4.252161624e-01 4.10 -3.928156885e-01 -3.928156885e-01 4.12 -3.632054312e-01 -3.632054312e-01 4.14 -3.361952536e-01 -3.361952536e-01 4.16 -3.115933336e-01 -3.115933336e-01 4.18 -2.892100582e-01 -2.892100582e-01 4.20 -2.688607084e-01 -2.688607084e-01 4.22 -2.503672286e-01 -2.503672286e-01 4.24 -2.335593764e-01 -2.335593764e-01 4.26 -2.182754831e-01 -2.182754831e-01 4.28 -2.043629872e-01 -2.043629872e-01 4.30 -1.916788220e-01 -1.916788220e-01 4.32 -1.800896774e-01 -1.800896774e-01 4.34 -1.694721485e-01 -1.694721485e-01 4.36 -1.597127518e-01 -1.597127518e-01 4.38 -1.507078012e-01 -1.507078012e-01 4.40 -1.423631329e-01 -1.423631329e-01 4.42 -1.345937285e-01 -1.345937285e-01 4.44 -1.273232426e-01 -1.273232426e-01 4.46 -1.204834532e-01 -1.204834532e-01 4.48 -1.140139624e-01 -1.140139624e-01 4.50 -1.078612500e-01 -1.078612500e-01 4.52 -1.019792313e-01 -1.019792313e-01 4.54 -9.632823179e-02 -9.632823179e-02 4.56 -9.087462232e-02 -9.087462232e-02 4.58 -8.559069149e-02 -8.559069149e-02 4.60 -8.045454000e-02 -8.045454000e-02 4.62 -7.544998226e-02 -7.544998226e-02 4.64 -7.056642533e-02 -7.056642533e-02 4.66 -6.579868548e-02 -6.579868548e-02 4.68 -6.114669893e-02 -6.114669893e-02 4.70 -5.661508654e-02 -5.661508654e-02 4.72 -5.221254464e-02 -5.221254464e-02 4.74 -4.795104871e-02 -4.795104871e-02 4.76 -4.384488578e-02 -4.384488578e-02 4.78 -3.990956705e-02 -3.990956705e-02 4.80 -3.616067653e-02 -3.616067653e-02 4.82 -3.261274465e-02 -3.261274465e-02 4.84 -2.927823983e-02 -2.927823983e-02 4.86 -2.616674032e-02 -2.616674032e-02 4.88 -2.328435989e-02 -2.328435989e-02 4.90 -2.063345678e-02 -2.063345678e-02 4.92 -1.821261836e-02 -1.821261836e-02 4.94 -1.601657908e-02 -1.601657908e-02 4.96 -1.403725892e-02 -1.403725892e-02 4.98 -1.226427080e-02 -1.226427080e-02 5.00 -1.068516964e-02 -1.068516964e-02 5.02 -9.286104827e-03 -9.286104827e-03 5.04 -8.052427643e-03 -8.052427643e-03 5.06 -6.969222695e-03 -6.969222695e-03 5.08 -6.021746646e-03 -6.021746646e-03 5.10 -5.195769595e-03 -5.195769595e-03 5.12 -4.477823291e-03 -4.477823291e-03 5.14 -3.855366095e-03 -3.855366095e-03 5.16 -3.316877605e-03 -3.316877605e-03 5.18 -2.851896787e-03 -2.851896787e-03 5.20 -2.451016898e-03 -2.451016898e-03 5.22 -2.105849127e-03 -2.105849127e-03 5.24 -1.808965022e-03 -1.808965022e-03 5.26 -1.553825875e-03 -1.553825875e-03 5.28 -1.334705386e-03 -1.334705386e-03 5.30 -1.146610327e-03 -1.146610327e-03 5.32 -9.852025599e-04 -9.852025599e-04 5.34 -8.467246548e-04 -8.467246548e-04 5.36 -7.279305377e-04 -7.279305377e-04 5.38 -6.260219129e-04 -6.260219129e-04 5.40 -5.385907739e-04 -5.385907739e-04 5.42 -4.635679784e-04 -4.635679784e-04 5.44 -3.991776481e-04 -3.991776481e-04 5.46 -3.438970250e-04 -3.438970250e-04 5.48 -2.964213363e-04 -2.964213363e-04 5.50 -2.556331941e-04 -2.556331941e-04 5.52 -2.205760505e-04 -2.205760505e-04 5.54 -1.904312476e-04 -1.904312476e-04 5.56 -1.644982296e-04 -1.644982296e-04 5.58 -1.421775198e-04 -1.421775198e-04 5.60 -1.229561041e-04 -1.229561041e-04 5.62 -1.063948986e-04 -1.063948986e-04 5.64 -9.211801757e-05 -9.211801757e-05 5.66 -7.980359210e-05 -7.980359210e-05 5.68 -6.917592120e-05 -6.917592120e-05 5.70 -5.999876525e-05 -5.999876525e-05 5.72 -5.206961827e-05 -5.206961827e-05 5.74 -4.521481729e-05 -4.521481729e-05 5.76 -3.928536697e-05 -3.928536697e-05 5.78 -3.415337512e-05 -3.415337512e-05 5.80 -2.970900957e-05 -2.970900957e-05 5.82 -2.585789982e-05 -2.585789982e-05 5.84 -2.251891796e-05 -2.251891796e-05 5.86 -1.962228314e-05 -1.962228314e-05 5.88 -1.710794188e-05 -1.710794188e-05 5.90 -1.492418358e-05 -1.492418358e-05 5.92 -1.302645674e-05 -1.302645674e-05 5.94 -1.137635618e-05 -1.137635618e-05 5.96 -9.940756475e-06 -9.940756475e-06 5.98 -8.691069849e-06 -8.691069849e-06 6.00 -7.602610587e-06 -7.602610587e-06