# 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 = Co2PdTi # 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 2.125958558e+02 2.125958558e+02 1.30 1.961527999e+02 1.961527999e+02 1.32 1.809681819e+02 1.809681819e+02 1.34 1.669386597e+02 1.669386597e+02 1.36 1.539696516e+02 1.539696516e+02 1.38 1.419742939e+02 1.419742939e+02 1.40 1.308730684e+02 1.308730684e+02 1.42 1.205937678e+02 1.205937678e+02 1.44 1.110713737e+02 1.110713737e+02 1.46 1.022476948e+02 1.022476948e+02 1.48 9.407053830e+01 9.407053830e+01 1.50 8.649237980e+01 8.649237980e+01 1.52 7.946903823e+01 7.946903823e+01 1.54 7.295889474e+01 7.295889474e+01 1.56 6.692270129e+01 6.692270129e+01 1.58 6.132370989e+01 6.132370989e+01 1.60 5.612787991e+01 5.612787991e+01 1.62 5.130406661e+01 5.130406661e+01 1.64 4.682412621e+01 4.682412621e+01 1.66 4.266281648e+01 4.266281648e+01 1.68 3.879741994e+01 3.879741994e+01 1.70 3.520736665e+01 3.520736665e+01 1.72 3.188490112e+01 3.188490112e+01 1.74 2.881971176e+01 2.881971176e+01 1.76 2.599204139e+01 2.599204139e+01 1.78 2.338350735e+01 2.338350735e+01 1.80 2.097725630e+01 2.097725630e+01 1.82 1.875795489e+01 1.875795489e+01 1.84 1.671164893e+01 1.671164893e+01 1.86 1.482555833e+01 1.482555833e+01 1.88 1.308788458e+01 1.308788458e+01 1.90 1.148767016e+01 1.148767016e+01 1.92 1.001471238e+01 1.001471238e+01 1.94 8.659526235e+00 8.659526235e+00 1.96 7.413338018e+00 7.413338018e+00 1.98 6.268073986e+00 6.268073986e+00 2.00 5.216311553e+00 5.216311553e+00 2.02 4.251196339e+00 4.251196339e+00 2.04 3.366356980e+00 3.366356980e+00 2.06 2.555845546e+00 2.555845546e+00 2.08 1.814110623e+00 1.814110623e+00 2.10 1.135991510e+00 1.135991510e+00 2.12 5.167153347e-01 5.167153347e-01 2.14 -4.811533853e-02 -4.811533853e-02 2.16 -5.625435887e-01 -5.625435887e-01 2.18 -1.030282371e+00 -1.030282371e+00 2.20 -1.454740044e+00 -1.454740044e+00 2.22 -1.839050811e+00 -1.839050811e+00 2.24 -2.186111212e+00 -2.186111212e+00 2.26 -2.498618166e+00 -2.498618166e+00 2.28 -2.779100483e+00 -2.779100483e+00 2.30 -3.029937696e+00 -3.029937696e+00 2.32 -3.253366513e+00 -3.253366513e+00 2.34 -3.451479114e+00 -3.451479114e+00 2.36 -3.626221804e+00 -3.626221804e+00 2.38 -3.779399537e+00 -3.779399537e+00 2.40 -3.912688726e+00 -3.912688726e+00 2.42 -4.027656068e+00 -4.027656068e+00 2.44 -4.125778566e+00 -4.125778566e+00 2.46 -4.208460208e+00 -4.208460208e+00 2.48 -4.277044166e+00 -4.277044166e+00 2.50 -4.332867076e+00 -4.332867076e+00 2.52 -4.377094747e+00 -4.377094747e+00 2.54 -4.410793347e+00 -4.410793347e+00 2.56 -4.435038339e+00 -4.435038339e+00 2.58 -4.450686505e+00 -4.450686505e+00 2.60 -4.458497593e+00 -4.458497593e+00 2.62 -4.459177985e+00 -4.459177985e+00 2.64 -4.453616894e+00 -4.453616894e+00 2.66 -4.442319738e+00 -4.442319738e+00 2.68 -4.425450200e+00 -4.425450200e+00 2.70 -4.403190113e+00 -4.403190113e+00 2.72 -4.375694491e+00 -4.375694491e+00 2.74 -4.343049563e+00 -4.343049563e+00 2.76 -4.305374990e+00 -4.305374990e+00 2.78 -4.262834982e+00 -4.262834982e+00 2.80 -4.215663701e+00 -4.215663701e+00 2.82 -4.164154924e+00 -4.164154924e+00 2.84 -4.108621894e+00 -4.108621894e+00 2.86 -4.049395654e+00 -4.049395654e+00 2.88 -3.986824917e+00 -3.986824917e+00 2.90 -3.921274629e+00 -3.921274629e+00 2.92 -3.853122570e+00 -3.853122570e+00 2.94 -3.782754165e+00 -3.782754165e+00 2.96 -3.710556595e+00 -3.710556595e+00 2.98 -3.636913490e+00 -3.636913490e+00 3.00 -3.562200613e+00 -3.562200613e+00 3.02 -3.486781551e+00 -3.486781551e+00 3.04 -3.411001574e+00 -3.411001574e+00 3.06 -3.335178845e+00 -3.335178845e+00 3.08 -3.259593238e+00 -3.259593238e+00 3.10 -3.184476633e+00 -3.184476633e+00 3.12 -3.110007282e+00 -3.110007282e+00 3.14 -3.036310768e+00 -3.036310768e+00 3.16 -2.963466516e+00 -2.963466516e+00 3.18 -2.891518513e+00 -2.891518513e+00 3.20 -2.820486789e+00 -2.820486789e+00 3.22 -2.750377738e+00 -2.750377738e+00 3.24 -2.681192056e+00 -2.681192056e+00 3.26 -2.612930064e+00 -2.612930064e+00 3.28 -2.545594763e+00 -2.545594763e+00 3.30 -2.479193177e+00 -2.479193177e+00 3.32 -2.413736576e+00 -2.413736576e+00 3.34 -2.349240023e+00 -2.349240023e+00 3.36 -2.285721642e+00 -2.285721642e+00 3.38 -2.223201851e+00 -2.223201851e+00 3.40 -2.161702755e+00 -2.161702755e+00 3.42 -2.101247891e+00 -2.101247891e+00 3.44 -2.041862144e+00 -2.041862144e+00 3.46 -1.983572072e+00 -1.983572072e+00 3.48 -1.926406220e+00 -1.926406220e+00 3.50 -1.870395241e+00 -1.870395241e+00 3.52 -1.815571463e+00 -1.815571463e+00 3.54 -1.761967640e+00 -1.761967640e+00 3.56 -1.709614772e+00 -1.709614772e+00 3.58 -1.658539192e+00 -1.658539192e+00 3.60 -1.608759425e+00 -1.608759425e+00 3.62 -1.560283459e+00 -1.560283459e+00 3.64 -1.513107067e+00 -1.513107067e+00 3.66 -1.467213545e+00 -1.467213545e+00 3.68 -1.422574853e+00 -1.422574853e+00 3.70 -1.379153861e+00 -1.379153861e+00 3.72 -1.336907185e+00 -1.336907185e+00 3.74 -1.295788105e+00 -1.295788105e+00 3.76 -1.255749169e+00 -1.255749169e+00 3.78 -1.216744236e+00 -1.216744236e+00 3.80 -1.178729884e+00 -1.178729884e+00 3.82 -1.141666199e+00 -1.141666199e+00 3.84 -1.105517064e+00 -1.105517064e+00 3.86 -1.070250081e+00 -1.070250081e+00 3.88 -1.035836273e+00 -1.035836273e+00 3.90 -1.002249688e+00 -1.002249688e+00 3.92 -9.694670067e-01 -9.694670067e-01 3.94 -9.374673507e-01 -9.374673507e-01 3.96 -9.062319969e-01 -9.062319969e-01 3.98 -8.757444763e-01 -8.757444763e-01 4.00 -8.459906717e-01 -8.459906717e-01 4.02 -8.169590157e-01 -8.169590157e-01 4.04 -7.886406951e-01 -7.886406951e-01 4.06 -7.610297835e-01 -7.610297835e-01 4.08 -7.341232301e-01 -7.341232301e-01 4.10 -7.079205962e-01 -7.079205962e-01 4.12 -6.824238819e-01 -6.824238819e-01 4.14 -6.576365422e-01 -6.576365422e-01 4.16 -6.335630371e-01 -6.335630371e-01 4.18 -6.102080055e-01 -6.102080055e-01 4.20 -5.875755601e-01 -5.875755601e-01 4.22 -5.656686813e-01 -5.656686813e-01 4.24 -5.444887178e-01 -5.444887178e-01 4.26 -5.240349561e-01 -5.240349561e-01 4.28 -5.043042013e-01 -5.043042013e-01 4.30 -4.852903247e-01 -4.852903247e-01 4.32 -4.669837764e-01 -4.669837764e-01 4.34 -4.493711122e-01 -4.493711122e-01 4.36 -4.324346309e-01 -4.324346309e-01 4.38 -4.161522227e-01 -4.161522227e-01 4.40 -4.004975069e-01 -4.004975069e-01 4.42 -3.854402796e-01 -3.854402796e-01 4.44 -3.709472361e-01 -3.709472361e-01 4.46 -3.569828854e-01 -3.569828854e-01 4.48 -3.435105534e-01 -3.435105534e-01 4.50 -3.304933797e-01 -3.304933797e-01 4.52 -3.178952322e-01 -3.178952322e-01 4.54 -3.056814985e-01 -3.056814985e-01 4.56 -2.938197379e-01 -2.938197379e-01 4.58 -2.822801986e-01 -2.822801986e-01 4.60 -2.710362157e-01 -2.710362157e-01 4.62 -2.600645059e-01 -2.600645059e-01 4.64 -2.493453710e-01 -2.493453710e-01 4.66 -2.388628160e-01 -2.388628160e-01 4.68 -2.286045809e-01 -2.286045809e-01 4.70 -2.185620849e-01 -2.185620849e-01 4.72 -2.087302809e-01 -2.087302809e-01 4.74 -1.991074261e-01 -1.991074261e-01 4.76 -1.896947830e-01 -1.896947830e-01 4.78 -1.804962751e-01 -1.804962751e-01 4.80 -1.715180846e-01 -1.715180846e-01 4.82 -1.627684782e-01 -1.627684782e-01 4.84 -1.542572195e-01 -1.542572195e-01 4.86 -1.459954806e-01 -1.459954806e-01 4.88 -1.379955319e-01 -1.379955319e-01 4.90 -1.302704667e-01 -1.302704667e-01 4.92 -1.228338657e-01 -1.228338657e-01 4.94 -1.156993618e-01 -1.156993618e-01 4.96 -1.088800834e-01 -1.088800834e-01 4.98 -1.023879857e-01 -1.023879857e-01 5.00 -9.623311288e-02 -9.623311288e-02 5.02 -9.042286331e-02 -9.042286331e-02 5.04 -8.496133589e-02 -8.496133589e-02 5.06 -7.984885333e-02 -7.984885333e-02 5.08 -7.508157953e-02 -7.508157953e-02 5.10 -7.065169751e-02 -7.065169751e-02 5.12 -6.654789050e-02 -6.654789050e-02 5.14 -6.275547976e-02 -6.275547976e-02 5.16 -5.925706110e-02 -5.925706110e-02 5.18 -5.603319425e-02 -5.603319425e-02 5.20 -5.306311153e-02 -5.306311153e-02 5.22 -5.032564089e-02 -5.032564089e-02 5.24 -4.779961143e-02 -4.779961143e-02 5.26 -4.546434317e-02 -4.546434317e-02 5.28 -4.330003820e-02 -4.330003820e-02 5.30 -4.128805429e-02 -4.128805429e-02 5.32 -3.941107368e-02 -3.941107368e-02 5.34 -3.765318479e-02 -3.765318479e-02 5.36 -3.599989583e-02 -3.599989583e-02 5.38 -3.443809897e-02 -3.443809897e-02 5.40 -3.295600171e-02 -3.295600171e-02 5.42 -3.154303954e-02 -3.154303954e-02 5.44 -3.018978134e-02 -3.018978134e-02 5.46 -2.888783626e-02 -2.888783626e-02 5.48 -2.762976866e-02 -2.762976866e-02 5.50 -2.640902550e-02 -2.640902550e-02 5.52 -2.521987909e-02 -2.521987909e-02 5.54 -2.405738650e-02 -2.405738650e-02 5.56 -2.291736529e-02 -2.291736529e-02 5.58 -2.179638467e-02 -2.179638467e-02 5.60 -2.069176916e-02 -2.069176916e-02 5.62 -1.960161075e-02 -1.960161075e-02 5.64 -1.852478425e-02 -1.852478425e-02 5.66 -1.746095933e-02 -1.746095933e-02 5.68 -1.641060207e-02 -1.641060207e-02 5.70 -1.537495825e-02 -1.537495825e-02 5.72 -1.435601152e-02 -1.435601152e-02 5.74 -1.335641089e-02 -1.335641089e-02 5.76 -1.237936315e-02 -1.237936315e-02 5.78 -1.142839301e-02 -1.142839301e-02 5.80 -1.050735387e-02 -1.050735387e-02 5.82 -9.620239421e-03 -9.620239421e-03 5.84 -8.770903736e-03 -8.770903736e-03 5.86 -7.962870024e-03 -7.962870024e-03 5.88 -7.199160084e-03 -7.199160084e-03 5.90 -6.482157167e-03 -6.482157168e-03 5.92 -5.813511459e-03 -5.813511459e-03 5.94 -5.194092773e-03 -5.194092773e-03 5.96 -4.623990183e-03 -4.623990183e-03 5.98 -4.102553856e-03 -4.102553856e-03 6.00 -3.628471023e-03 -3.628471023e-03