# 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 = FePd2Zr # 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 3.312715372e+02 3.312715372e+02 1.30 3.068959814e+02 3.068959814e+02 1.32 2.843337979e+02 2.843337979e+02 1.34 2.634408387e+02 2.634408387e+02 1.36 2.440844499e+02 2.440844499e+02 1.38 2.261424739e+02 2.261424739e+02 1.40 2.095027033e+02 2.095027033e+02 1.42 1.940626428e+02 1.940626428e+02 1.44 1.797295211e+02 1.797295211e+02 1.46 1.664196942e+02 1.664196942e+02 1.48 1.540571211e+02 1.540571211e+02 1.50 1.425717623e+02 1.425717623e+02 1.52 1.318986021e+02 1.318986021e+02 1.54 1.219769952e+02 1.219769952e+02 1.56 1.127502032e+02 1.127502032e+02 1.58 1.041649437e+02 1.041649437e+02 1.60 9.617132943e+01 9.617132943e+01 1.62 8.872322564e+01 8.872322564e+01 1.64 8.177888246e+01 8.177888246e+01 1.66 7.530124564e+01 7.530124564e+01 1.68 6.925774795e+01 6.925774795e+01 1.70 6.361958319e+01 6.361958319e+01 1.72 5.836064291e+01 5.836064291e+01 1.74 5.345648541e+01 5.345648541e+01 1.76 4.888379382e+01 4.888379382e+01 1.78 4.462054380e+01 4.462054380e+01 1.80 4.064524506e+01 4.064524506e+01 1.82 3.694256355e+01 3.694256355e+01 1.84 3.351820196e+01 3.351820196e+01 1.86 3.035487865e+01 3.035487865e+01 1.88 2.743302040e+01 2.743302040e+01 1.90 2.473436895e+01 2.473436895e+01 1.92 2.224183457e+01 2.224183457e+01 1.94 1.993948437e+01 1.993948437e+01 1.96 1.781265992e+01 1.781265992e+01 1.98 1.584800095e+01 1.584800095e+01 2.00 1.403336278e+01 1.403336278e+01 2.02 1.235765949e+01 1.235765949e+01 2.04 1.081070999e+01 1.081070999e+01 2.06 9.383124378e+00 9.383124378e+00 2.08 8.066221711e+00 8.066221711e+00 2.10 6.851983335e+00 6.851983335e+00 2.12 5.732985507e+00 5.732985507e+00 2.14 4.702347045e+00 4.702347045e+00 2.16 3.753679294e+00 3.753679294e+00 2.18 2.881045047e+00 2.881045047e+00 2.20 2.078938528e+00 2.078938528e+00 2.22 1.342258933e+00 1.342258933e+00 2.24 6.662934335e-01 6.662934335e-01 2.26 4.670607255e-02 4.670607255e-02 2.28 -5.204817638e-01 -5.204817638e-01 2.30 -1.038888667e+00 -1.038888667e+00 2.32 -1.511812485e+00 -1.511812485e+00 2.34 -1.942265158e+00 -1.942265158e+00 2.36 -2.333024247e+00 -2.333024247e+00 2.38 -2.686684311e+00 -2.686684311e+00 2.40 -3.005703394e+00 -3.005703394e+00 2.42 -3.292444696e+00 -3.292444696e+00 2.44 -3.549198846e+00 -3.549198846e+00 2.46 -3.778200130e+00 -3.778200130e+00 2.48 -3.981663001e+00 -3.981663001e+00 2.50 -4.161705631e+00 -4.161705631e+00 2.52 -4.320218147e+00 -4.320218147e+00 2.54 -4.458973711e+00 -4.458973711e+00 2.56 -4.579603498e+00 -4.579603498e+00 2.58 -4.683581888e+00 -4.683581888e+00 2.60 -4.772227877e+00 -4.772227877e+00 2.62 -4.846696220e+00 -4.846696220e+00 2.64 -4.907864740e+00 -4.907864740e+00 2.66 -4.956478651e+00 -4.956478651e+00 2.68 -4.993260148e+00 -4.993260148e+00 2.70 -5.018910098e+00 -5.018910098e+00 2.72 -5.034109921e+00 -5.034109921e+00 2.74 -5.039522941e+00 -5.039522941e+00 2.76 -5.035795693e+00 -5.035795693e+00 2.78 -5.023557621e+00 -5.023557621e+00 2.80 -5.003432061e+00 -5.003432061e+00 2.82 -4.976026397e+00 -4.976026397e+00 2.84 -4.942071070e+00 -4.942071070e+00 2.86 -4.902721573e+00 -4.902721573e+00 2.88 -4.858384369e+00 -4.858384369e+00 2.90 -4.809395294e+00 -4.809395294e+00 2.92 -4.756131270e+00 -4.756131270e+00 2.94 -4.698994276e+00 -4.698994276e+00 2.96 -4.638392088e+00 -4.638392088e+00 2.98 -4.574719251e+00 -4.574719251e+00 3.00 -4.508341407e+00 -4.508341407e+00 3.02 -4.439611740e+00 -4.439611740e+00 3.04 -4.368893679e+00 -4.368893679e+00 3.06 -4.296441451e+00 -4.296441451e+00 3.08 -4.222413630e+00 -4.222413630e+00 3.10 -4.146948799e+00 -4.146948799e+00 3.12 -4.070172247e+00 -4.070172247e+00 3.14 -3.992215896e+00 -3.992215896e+00 3.16 -3.913209652e+00 -3.913209652e+00 3.18 -3.833299774e+00 -3.833299774e+00 3.20 -3.752650283e+00 -3.752650283e+00 3.22 -3.671445936e+00 -3.671445936e+00 3.24 -3.589893505e+00 -3.589893505e+00 3.26 -3.508221074e+00 -3.508221074e+00 3.28 -3.426674699e+00 -3.426674699e+00 3.30 -3.345511822e+00 -3.345511822e+00 3.32 -3.264991347e+00 -3.264991347e+00 3.34 -3.185361281e+00 -3.185361281e+00 3.36 -3.106845904e+00 -3.106845904e+00 3.38 -3.029634868e+00 -3.029634868e+00 3.40 -2.953875133e+00 -2.953875133e+00 3.42 -2.879673576e+00 -2.879673576e+00 3.44 -2.807091921e+00 -2.807091921e+00 3.46 -2.736157623e+00 -2.736157623e+00 3.48 -2.666869559e+00 -2.666869559e+00 3.50 -2.599205272e+00 -2.599205272e+00 3.52 -2.533127388e+00 -2.533127388e+00 3.54 -2.468588760e+00 -2.468588760e+00 3.56 -2.405536266e+00 -2.405536266e+00 3.58 -2.343913400e+00 -2.343913400e+00 3.60 -2.283661954e+00 -2.283661954e+00 3.62 -2.224723034e+00 -2.224723034e+00 3.64 -2.167037720e+00 -2.167037720e+00 3.66 -2.110547579e+00 -2.110547579e+00 3.68 -2.055195240e+00 -2.055195240e+00 3.70 -2.000925178e+00 -2.000925178e+00 3.72 -1.947684781e+00 -1.947684781e+00 3.74 -1.895425747e+00 -1.895425747e+00 3.76 -1.844105729e+00 -1.844105729e+00 3.78 -1.793690061e+00 -1.793690061e+00 3.80 -1.744153333e+00 -1.744153333e+00 3.82 -1.695480461e+00 -1.695480461e+00 3.84 -1.647666945e+00 -1.647666945e+00 3.86 -1.600718053e+00 -1.600718053e+00 3.88 -1.554646899e+00 -1.554646899e+00 3.90 -1.509471604e+00 -1.509471604e+00 3.92 -1.465210473e+00 -1.465210473e+00 3.94 -1.421885293e+00 -1.421885293e+00 3.96 -1.379508790e+00 -1.379508790e+00 3.98 -1.338090560e+00 -1.338090560e+00 4.00 -1.297635180e+00 -1.297635180e+00 4.02 -1.258143269e+00 -1.258143269e+00 4.04 -1.219613175e+00 -1.219613175e+00 4.06 -1.182042772e+00 -1.182042772e+00 4.08 -1.145430918e+00 -1.145430918e+00 4.10 -1.109774340e+00 -1.109774340e+00 4.12 -1.075084006e+00 -1.075084006e+00 4.14 -1.041358482e+00 -1.041358482e+00 4.16 -1.008600786e+00 -1.008600786e+00 4.18 -9.768118608e-01 -9.768118608e-01 4.20 -9.459888808e-01 -9.459888808e-01 4.22 -9.161238422e-01 -9.161238422e-01 4.24 -8.872026213e-01 -8.872026213e-01 4.26 -8.592046017e-01 -8.592046017e-01 4.28 -8.321028604e-01 -8.321028604e-01 4.30 -8.058648182e-01 -8.058648182e-01 4.32 -7.804532121e-01 -7.804532121e-01 4.34 -7.558272367e-01 -7.558272367e-01 4.36 -7.319437163e-01 -7.319437163e-01 4.38 -7.087582089e-01 -7.087582089e-01 4.40 -6.862259804e-01 -6.862259804e-01 4.42 -6.643028300e-01 -6.643028300e-01 4.44 -6.429457751e-01 -6.429457751e-01 4.46 -6.221136239e-01 -6.221136239e-01 4.48 -6.017674758e-01 -6.017674758e-01 4.50 -5.818711880e-01 -5.818711880e-01 4.52 -5.623918441e-01 -5.623918441e-01 4.54 -5.433002504e-01 -5.433002504e-01 4.56 -5.245714686e-01 -5.245714686e-01 4.58 -5.061853822e-01 -5.061853822e-01 4.60 -4.881272703e-01 -4.881272703e-01 4.62 -4.703883449e-01 -4.703883449e-01 4.64 -4.529661921e-01 -4.529661921e-01 4.66 -4.358650402e-01 -4.358650402e-01 4.68 -4.190957761e-01 -4.190957761e-01 4.70 -4.026756350e-01 -4.026756350e-01 4.72 -3.866275089e-01 -3.866275089e-01 4.74 -3.709788546e-01 -3.709788546e-01 4.76 -3.557602257e-01 -3.557602257e-01 4.78 -3.410035072e-01 -3.410035072e-01 4.80 -3.267368313e-01 -3.267368313e-01 4.82 -3.129957375e-01 -3.129957375e-01 4.84 -2.998008127e-01 -2.998008127e-01 4.86 -2.871705896e-01 -2.871705896e-01 4.88 -2.751167081e-01 -2.751167081e-01 4.90 -2.636433672e-01 -2.636433672e-01 4.92 -2.527472826e-01 -2.527472826e-01 4.94 -2.424180997e-01 -2.424180997e-01 4.96 -2.326391694e-01 -2.326391694e-01 4.98 -2.233885737e-01 -2.233885737e-01 5.00 -2.146402836e-01 -2.146402836e-01 5.02 -2.063653385e-01 -2.063653385e-01 5.04 -1.985328046e-01 -1.985328046e-01 5.06 -1.911110339e-01 -1.911110339e-01 5.08 -1.840686380e-01 -1.840686380e-01 5.10 -1.773748350e-01 -1.773748350e-01 5.12 -1.709999946e-01 -1.709999946e-01 5.14 -1.649160288e-01 -1.649160288e-01 5.16 -1.590966524e-01 -1.590966524e-01 5.18 -1.535175421e-01 -1.535175421e-01 5.20 -1.481564222e-01 -1.481564222e-01 5.22 -1.429931002e-01 -1.429931002e-01 5.24 -1.380094732e-01 -1.380094732e-01 5.26 -1.331895194e-01 -1.331895194e-01 5.28 -1.285192844e-01 -1.285192844e-01 5.30 -1.239868666e-01 -1.239868666e-01 5.32 -1.195824017e-01 -1.195824017e-01 5.34 -1.152980385e-01 -1.152980385e-01 5.36 -1.111278992e-01 -1.111278992e-01 5.38 -1.070680101e-01 -1.070680101e-01 5.40 -1.031161905e-01 -1.031161905e-01 5.42 -9.927188824e-02 -9.927188824e-02 5.44 -9.553595497e-02 -9.553595497e-02 5.46 -9.191036032e-02 -9.191036032e-02 5.48 -8.839785200e-02 -8.839785200e-02 5.50 -8.500157788e-02 -8.500157788e-02 5.52 -8.172469616e-02 -8.172469616e-02 5.54 -7.856999903e-02 -7.856999903e-02 5.56 -7.553957951e-02 -7.553957951e-02 5.58 -7.263456625e-02 -7.263456625e-02 5.60 -6.985480263e-02 -6.985480263e-02 5.62 -6.719888805e-02 -6.719888805e-02 5.64 -6.466452543e-02 -6.466452543e-02 5.66 -6.224821261e-02 -6.224821261e-02 5.68 -5.994538699e-02 -5.994538699e-02 5.70 -5.775061829e-02 -5.775061829e-02 5.72 -5.565781818e-02 -5.565781818e-02 5.74 -5.366044818e-02 -5.366044818e-02 5.76 -5.175171161e-02 -5.175171161e-02 5.78 -4.992472076e-02 -4.992472076e-02 5.80 -4.817263438e-02 -4.817263438e-02 5.82 -4.648876501e-02 -4.648876501e-02 5.84 -4.486665779e-02 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