# 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 = AlPdPt2 # 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 2.992373389e+02 2.992373389e+02 1.30 2.791649391e+02 2.791649391e+02 1.32 2.603948542e+02 2.603948542e+02 1.34 2.428321743e+02 2.428321743e+02 1.36 2.263884096e+02 2.263884096e+02 1.38 2.109802352e+02 2.109802352e+02 1.40 1.965330370e+02 1.965330370e+02 1.42 1.829848219e+02 1.829848219e+02 1.44 1.702840965e+02 1.702840965e+02 1.46 1.583838882e+02 1.583838882e+02 1.48 1.472377225e+02 1.472377225e+02 1.50 1.367980323e+02 1.367980323e+02 1.52 1.270150862e+02 1.270150862e+02 1.54 1.178369627e+02 1.178369627e+02 1.56 1.092116122e+02 1.092116122e+02 1.58 1.010900731e+02 1.010900731e+02 1.60 9.342897699e+01 9.342897699e+01 1.62 8.619142811e+01 8.619142811e+01 1.64 7.934665975e+01 7.934665975e+01 1.66 7.286932463e+01 7.286932463e+01 1.68 6.673880432e+01 6.673880432e+01 1.70 6.093830062e+01 6.093830062e+01 1.72 5.546007831e+01 5.546007831e+01 1.74 5.039016228e+01 5.039016228e+01 1.76 4.573258065e+01 4.573258065e+01 1.78 4.145256301e+01 4.145256301e+01 1.80 3.751505180e+01 3.751505180e+01 1.82 3.388788669e+01 3.388788669e+01 1.84 3.054339744e+01 3.054339744e+01 1.86 2.745892765e+01 2.745892765e+01 1.88 2.461622034e+01 2.461622034e+01 1.90 2.199998323e+01 2.199998323e+01 1.92 1.959623777e+01 1.959623777e+01 1.94 1.739111796e+01 1.739111796e+01 1.96 1.537046297e+01 1.537046297e+01 1.98 1.352004899e+01 1.352004899e+01 2.00 1.182604331e+01 1.182604331e+01 2.02 1.027536206e+01 1.027536206e+01 2.04 8.855849613e+00 8.855849613e+00 2.06 7.556335326e+00 7.556335326e+00 2.08 6.366625388e+00 6.366625388e+00 2.10 5.277448620e+00 5.277448620e+00 2.12 4.280367124e+00 4.280367124e+00 2.14 3.367678795e+00 3.367678795e+00 2.16 2.532343984e+00 2.532343984e+00 2.18 1.767950362e+00 1.767950362e+00 2.20 1.068704468e+00 1.068704468e+00 2.22 4.294263845e-01 4.294263845e-01 2.24 -1.544704420e-01 -1.544704420e-01 2.26 -6.870196040e-01 -6.870196040e-01 2.28 -1.171758686e+00 -1.171758686e+00 2.30 -1.611796608e+00 -1.611796608e+00 2.32 -2.009886588e+00 -2.009886588e+00 2.34 -2.368501579e+00 -2.368501579e+00 2.36 -2.689909686e+00 -2.689909686e+00 2.38 -2.976246463e+00 -2.976246463e+00 2.40 -3.229580159e+00 -3.229580159e+00 2.42 -3.451965393e+00 -3.451965393e+00 2.44 -3.645481287e+00 -3.645481287e+00 2.46 -3.812252256e+00 -3.812252256e+00 2.48 -3.954452602e+00 -3.954452602e+00 2.50 -4.075456727e+00 -4.075456727e+00 2.52 -4.179172469e+00 -4.179172469e+00 2.54 -4.267095721e+00 -4.267095721e+00 2.56 -4.340726264e+00 -4.340726264e+00 2.58 -4.401550478e+00 -4.401550478e+00 2.60 -4.450969769e+00 -4.450969769e+00 2.62 -4.490241149e+00 -4.490241149e+00 2.64 -4.520438766e+00 -4.520438766e+00 2.66 -4.542438397e+00 -4.542438397e+00 2.68 -4.556922384e+00 -4.556922384e+00 2.70 -4.564400040e+00 -4.564400040e+00 2.72 -4.565237928e+00 -4.565237928e+00 2.74 -4.559694297e+00 -4.559694297e+00 2.76 -4.547952760e+00 -4.547952760e+00 2.78 -4.530152154e+00 -4.530152154e+00 2.80 -4.506447856e+00 -4.506447856e+00 2.82 -4.477172077e+00 -4.477172077e+00 2.84 -4.442713474e+00 -4.442713474e+00 2.86 -4.403451506e+00 -4.403451506e+00 2.88 -4.359381614e+00 -4.359381614e+00 2.90 -4.310620255e+00 -4.310620255e+00 2.92 -4.257415822e+00 -4.257415822e+00 2.94 -4.200149098e+00 -4.200149098e+00 2.96 -4.139320965e+00 -4.139320965e+00 2.98 -4.075524592e+00 -4.075524592e+00 3.00 -4.009404147e+00 -4.009404147e+00 3.02 -3.941617646e+00 -3.941617646e+00 3.04 -3.872795404e+00 -3.872795404e+00 3.06 -3.803482165e+00 -3.803482165e+00 3.08 -3.734107944e+00 -3.734107944e+00 3.10 -3.664983267e+00 -3.664983267e+00 3.12 -3.596307895e+00 -3.596307895e+00 3.14 -3.528188136e+00 -3.528188136e+00 3.16 -3.460657735e+00 -3.460657735e+00 3.18 -3.393698896e+00 -3.393698896e+00 3.20 -3.327261028e+00 -3.327261028e+00 3.22 -3.261276297e+00 -3.261276297e+00 3.24 -3.195671739e+00 -3.195671739e+00 3.26 -3.130378250e+00 -3.130378250e+00 3.28 -3.065336878e+00 -3.065336878e+00 3.30 -3.000502963e+00 -3.000502963e+00 3.32 -2.935848498e+00 -2.935848498e+00 3.34 -2.871363073e+00 -2.871363073e+00 3.36 -2.807053615e+00 -2.807053615e+00 3.38 -2.742947777e+00 -2.742947777e+00 3.40 -2.679139757e+00 -2.679139757e+00 3.42 -2.615758668e+00 -2.615758668e+00 3.44 -2.552927376e+00 -2.552927376e+00 3.46 -2.490761002e+00 -2.490761002e+00 3.48 -2.429365807e+00 -2.429365807e+00 3.50 -2.368838030e+00 -2.368838030e+00 3.52 -2.309262814e+00 -2.309262814e+00 3.54 -2.250713322e+00 -2.250713322e+00 3.56 -2.193250082e+00 -2.193250082e+00 3.58 -2.136920570e+00 -2.136920570e+00 3.60 -2.081759033e+00 -2.081759033e+00 3.62 -2.027786525e+00 -2.027786525e+00 3.64 -1.975011171e+00 -1.975011171e+00 3.66 -1.923428634e+00 -1.923428634e+00 3.68 -1.873022814e+00 -1.873022814e+00 3.70 -1.823766771e+00 -1.823766771e+00 3.72 -1.775623880e+00 -1.775623880e+00 3.74 -1.728549213e+00 -1.728549213e+00 3.76 -1.682491119e+00 -1.682491119e+00 3.78 -1.637392949e+00 -1.637392949e+00 3.80 -1.593194869e+00 -1.593194869e+00 3.82 -1.549835670e+00 -1.549835670e+00 3.84 -1.507254510e+00 -1.507254510e+00 3.86 -1.465392509e+00 -1.465392509e+00 3.88 -1.424194168e+00 -1.424194168e+00 3.90 -1.383608592e+00 -1.383608592e+00 3.92 -1.343590524e+00 -1.343590524e+00 3.94 -1.304101287e+00 -1.304101287e+00 3.96 -1.265109584e+00 -1.265109584e+00 3.98 -1.226592327e+00 -1.226592327e+00 4.00 -1.188535436e+00 -1.188535436e+00 4.02 -1.150934624e+00 -1.150934624e+00 4.04 -1.113796105e+00 -1.113796105e+00 4.06 -1.077137112e+00 -1.077137112e+00 4.08 -1.040986068e+00 -1.040986068e+00 4.10 -1.005382224e+00 -1.005382224e+00 4.12 -9.703746883e-01 -9.703746883e-01 4.14 -9.360205581e-01 -9.360205581e-01 4.16 -9.023824234e-01 -9.023824234e-01 4.18 -8.695251667e-01 -8.695251667e-01 4.20 -8.375123936e-01 -8.375123936e-01 4.22 -8.064028115e-01 -8.064028115e-01 4.24 -7.762469142e-01 -7.762469142e-01 4.26 -7.470842791e-01 -7.470842791e-01 4.28 -7.189416777e-01 -7.189416777e-01 4.30 -6.918320612e-01 -6.918320612e-01 4.32 -6.657543538e-01 -6.657543538e-01 4.34 -6.406939025e-01 -6.406939025e-01 4.36 -6.166233982e-01 -6.166233982e-01 4.38 -5.935040980e-01 -5.935040980e-01 4.40 -5.712872279e-01 -5.712872279e-01 4.42 -5.499154858e-01 -5.499154858e-01 4.44 -5.293246083e-01 -5.293246083e-01 4.46 -5.094449757e-01 -5.094449757e-01 4.48 -4.902032404e-01 -4.902032404e-01 4.50 -4.715239572e-01 -4.715239572e-01 4.52 -4.533311970e-01 -4.533311970e-01 4.54 -4.355501295e-01 -4.355501295e-01 4.56 -4.181085691e-01 -4.181085691e-01 4.58 -4.009384895e-01 -4.009384895e-01 4.60 -3.839775193e-01 -3.839775193e-01 4.62 -3.671704300e-01 -3.671704300e-01 4.64 -3.504706218e-01 -3.504706218e-01 4.66 -3.338415900e-01 -3.338415900e-01 4.68 -3.172583343e-01 -3.172583343e-01 4.70 -3.007086369e-01 -3.007086369e-01 4.72 -2.841941079e-01 -2.841941079e-01 4.74 -2.677308677e-01 -2.677308677e-01 4.76 -2.513497254e-01 -2.513497254e-01 4.78 -2.350957146e-01 -2.350957146e-01 4.80 -2.190268764e-01 -2.190268764e-01 4.82 -2.032122771e-01 -2.032122771e-01 4.84 -1.877291903e-01 -1.877291903e-01 4.86 -1.726597035e-01 -1.726597035e-01 4.88 -1.580868561e-01 -1.580868561e-01 4.90 -1.440906354e-01 -1.440906354e-01 4.92 -1.307441451e-01 -1.307441451e-01 4.94 -1.181102571e-01 -1.181102571e-01 4.96 -1.062390050e-01 -1.062390050e-01 4.98 -9.516589066e-02 -9.516589066e-02 5.00 -8.491116481e-02 -8.491116481e-02 5.02 -7.548004174e-02 -7.548004174e-02 5.04 -6.686371714e-02 -6.686371714e-02 5.06 -5.904100211e-02 -5.904100211e-02 5.08 -5.198036065e-02 -5.198036065e-02 5.10 -4.564214155e-02 -4.564214155e-02 5.12 -3.998082302e-02 -3.998082302e-02 5.14 -3.494712568e-02 -3.494712568e-02 5.16 -3.048989561e-02 -3.048989561e-02 5.18 -2.655769173e-02 -2.655769173e-02 5.20 -2.310009186e-02 -2.310009186e-02 5.22 -2.006866875e-02 -2.006866875e-02 5.24 -1.741768207e-02 -1.741768207e-02 5.26 -1.510444669e-02 -1.510444669e-02 5.28 -1.308988393e-02 -1.308988393e-02 5.30 -1.133948860e-02 -1.133948860e-02 5.32 -9.820330648e-03 -9.820330648e-03 5.34 -8.503024864e-03 -8.503024864e-03 5.36 -7.361599960e-03 -7.361599960e-03 5.38 -6.373180682e-03 -6.373180682e-03 5.40 -5.517679855e-03 -5.517679855e-03 5.42 -4.777506170e-03 -4.777506170e-03 5.44 -4.137291109e-03 -4.137291109e-03 5.46 -3.583636768e-03 -3.583636768e-03 5.48 -3.104885240e-03 -3.104885240e-03 5.50 -2.690909454e-03 -2.690909454e-03 5.52 -2.332924825e-03 -2.332924825e-03 5.54 -2.023320716e-03 -2.023320716e-03 5.56 -1.755510468e-03 -1.755510468e-03 5.58 -1.523798608e-03 -1.523798608e-03 5.60 -1.323263786e-03 -1.323263786e-03 5.62 -1.149655964e-03 -1.149655964e-03 5.64 -9.993064436e-04 -9.993064436e-04 5.66 -8.690493373e-04 -8.690493373e-04 5.68 -7.561532253e-04 -7.561532253e-04 5.70 -6.582617910e-04 -6.582617910e-04 5.72 -5.733423592e-04 -5.733423592e-04 5.74 -4.996413551e-04 -4.996413551e-04 5.76 -4.356458025e-04 -4.356458025e-04 5.78 -3.800500821e-04 -3.800500821e-04 5.80 -3.317272540e-04 -3.317272540e-04 5.82 -2.897043384e-04 -2.897043384e-04 5.84 -2.531410178e-04 -2.531410178e-04 5.86 -2.213112965e-04 -2.213112965e-04 5.88 -1.935877099e-04 -1.935877099e-04 5.90 -1.694277334e-04 -1.694277334e-04 5.92 -1.483620841e-04 -1.483620841e-04 5.94 -1.299846521e-04 -1.299846521e-04 5.96 -1.139438348e-04 -1.139438348e-04 5.98 -9.993507601e-05 -9.993507601e-05 6.00 -8.769444319e-05 -8.769444319e-05