# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Arora-G-Bonny-G-Castin-N-Aidhy-D-S--Fe-Ni-Cr-Pd # implementation = 2021--Arora-G--Fe-Ni-Cr-Pd--LAMMPS--ipr1 # composition = Cr2NiPd # 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 2024-11-27 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 9.650293185e+03 9.650293185e+03 1.00 8.797065113e+03 8.797065113e+03 1.02 8.014023595e+03 8.014023595e+03 1.04 7.295538804e+03 7.295538804e+03 1.06 6.636148859e+03 6.636148859e+03 1.08 6.030245145e+03 6.030245145e+03 1.10 5.471908909e+03 5.471908909e+03 1.12 4.955376377e+03 4.955376377e+03 1.14 4.475962080e+03 4.475962080e+03 1.16 4.029919989e+03 4.029919989e+03 1.18 3.614016893e+03 3.614016893e+03 1.20 3.225328058e+03 3.225328058e+03 1.22 2.861484055e+03 2.861484055e+03 1.24 2.520461047e+03 2.520461047e+03 1.26 2.200549189e+03 2.200549189e+03 1.28 1.900180399e+03 1.900180399e+03 1.30 1.618125235e+03 1.618125235e+03 1.32 1.370684507e+03 1.370684507e+03 1.34 1.164257215e+03 1.164257215e+03 1.36 9.916523350e+02 9.916523350e+02 1.38 8.467423762e+02 8.467423762e+02 1.40 7.243808124e+02 7.243808124e+02 1.42 6.207111604e+02 6.207111604e+02 1.44 5.326627806e+02 5.326627806e+02 1.46 4.577027401e+02 4.577027401e+02 1.48 3.937407898e+02 3.937407898e+02 1.50 3.390569067e+02 3.390569067e+02 1.52 2.922038027e+02 2.922038027e+02 1.54 2.519548641e+02 2.519548641e+02 1.56 2.173128025e+02 2.173128025e+02 1.58 1.874702028e+02 1.874702028e+02 1.60 1.617486123e+02 1.617486123e+02 1.62 1.395647842e+02 1.395647842e+02 1.64 1.204116678e+02 1.204116678e+02 1.66 1.038524601e+02 1.038524601e+02 1.68 8.951496941e+01 8.951496941e+01 1.70 7.708865787e+01 7.708865787e+01 1.72 6.630877507e+01 6.630877507e+01 1.74 5.694767314e+01 5.694767314e+01 1.76 4.881043338e+01 4.881043338e+01 1.78 4.172971480e+01 4.172971480e+01 1.80 3.556163552e+01 3.556163552e+01 1.82 3.018524023e+01 3.018524023e+01 1.84 2.550904958e+01 2.550904958e+01 1.86 2.146142511e+01 2.146142511e+01 1.88 1.798515556e+01 1.798515556e+01 1.90 1.503295420e+01 1.503295420e+01 1.92 1.255880603e+01 1.255880603e+01 1.94 1.046145526e+01 1.046145526e+01 1.96 8.612851715e+00 8.612851715e+00 1.98 6.946096045e+00 6.946096045e+00 2.00 5.445219431e+00 5.445219431e+00 2.02 4.098436205e+00 4.098436205e+00 2.04 2.899032687e+00 2.899032687e+00 2.06 1.843461015e+00 1.843461015e+00 2.08 9.290020728e-01 9.290020728e-01 2.10 1.532126812e-01 1.532126812e-01 2.12 -4.882644585e-01 -4.882644585e-01 2.14 -1.008723844e+00 -1.008723844e+00 2.16 -1.423953001e+00 -1.423953001e+00 2.18 -1.750449705e+00 -1.750449705e+00 2.20 -2.004276049e+00 -2.004276049e+00 2.22 -2.200753934e+00 -2.200753934e+00 2.24 -2.354481209e+00 -2.354481209e+00 2.26 -2.478908729e+00 -2.478908729e+00 2.28 -2.586824273e+00 -2.586824273e+00 2.30 -2.689528970e+00 -2.689528970e+00 2.32 -2.789078139e+00 -2.789078139e+00 2.34 -2.885053753e+00 -2.885053753e+00 2.36 -2.976603598e+00 -2.976603598e+00 2.38 -3.062467804e+00 -3.062467804e+00 2.40 -3.140542989e+00 -3.140542989e+00 2.42 -3.208345086e+00 -3.208345086e+00 2.44 -3.265572701e+00 -3.265572701e+00 2.46 -3.312477144e+00 -3.312477144e+00 2.48 -3.349799423e+00 -3.349799423e+00 2.50 -3.378799680e+00 -3.378799680e+00 2.52 -3.400553773e+00 -3.400553773e+00 2.54 -3.415390639e+00 -3.415390639e+00 2.56 -3.423408369e+00 -3.423408369e+00 2.58 -3.424679160e+00 -3.424679160e+00 2.60 -3.419304672e+00 -3.419304672e+00 2.62 -3.407509203e+00 -3.407509203e+00 2.64 -3.389693920e+00 -3.389693920e+00 2.66 -3.366253019e+00 -3.366253019e+00 2.68 -3.337579634e+00 -3.337579634e+00 2.70 -3.304126537e+00 -3.304126537e+00 2.72 -3.266373533e+00 -3.266373533e+00 2.74 -3.224841670e+00 -3.224841670e+00 2.76 -3.179955517e+00 -3.179955517e+00 2.78 -3.132114466e+00 -3.132114466e+00 2.80 -3.081757464e+00 -3.081757464e+00 2.82 -3.029352771e+00 -3.029352771e+00 2.84 -2.975478561e+00 -2.975478561e+00 2.86 -2.920737349e+00 -2.920737349e+00 2.88 -2.865682984e+00 -2.865682984e+00 2.90 -2.810714103e+00 -2.810714103e+00 2.92 -2.756161251e+00 -2.756161251e+00 2.94 -2.702320107e+00 -2.702320107e+00 2.96 -2.649471953e+00 -2.649471953e+00 2.98 -2.597894563e+00 -2.597894563e+00 3.00 -2.547863126e+00 -2.547863126e+00 3.02 -2.499624728e+00 -2.499624728e+00 3.04 -2.453321590e+00 -2.453321590e+00 3.06 -2.409067937e+00 -2.409067937e+00 3.08 -2.366932080e+00 -2.366932080e+00 3.10 -2.326796015e+00 -2.326796015e+00 3.12 -2.288490916e+00 -2.288490916e+00 3.14 -2.251852927e+00 -2.251852927e+00 3.16 -2.216757948e+00 -2.216757948e+00 3.18 -2.183097447e+00 -2.183097447e+00 3.20 -2.150773091e+00 -2.150773091e+00 3.22 -2.119697471e+00 -2.119697471e+00 3.24 -2.089778801e+00 -2.089778801e+00 3.26 -2.060924893e+00 -2.060924893e+00 3.28 -2.033043696e+00 -2.033043696e+00 3.30 -2.006042376e+00 -2.006042376e+00 3.32 -1.979801075e+00 -1.979801075e+00 3.34 -1.954164148e+00 -1.954164148e+00 3.36 -1.928952945e+00 -1.928952945e+00 3.38 -1.903984622e+00 -1.903984622e+00 3.40 -1.879091209e+00 -1.879091209e+00 3.42 -1.854116325e+00 -1.854116325e+00 3.44 -1.828904158e+00 -1.828904158e+00 3.46 -1.803299177e+00 -1.803299177e+00 3.48 -1.777146135e+00 -1.777146135e+00 3.50 -1.750290074e+00 -1.750290074e+00 3.52 -1.722576332e+00 -1.722576332e+00 3.54 -1.693850540e+00 -1.693850540e+00 3.56 -1.663958625e+00 -1.663958625e+00 3.58 -1.632746808e+00 -1.632746808e+00 3.60 -1.600102467e+00 -1.600102467e+00 3.62 -1.566076701e+00 -1.566076701e+00 3.64 -1.530763125e+00 -1.530763125e+00 3.66 -1.494267503e+00 -1.494267503e+00 3.68 -1.456709773e+00 -1.456709773e+00 3.70 -1.418284815e+00 -1.418284815e+00 3.72 -1.379229553e+00 -1.379229553e+00 3.74 -1.339781632e+00 -1.339781632e+00 3.76 -1.300178934e+00 -1.300178934e+00 3.78 -1.260659569e+00 -1.260659569e+00 3.80 -1.221461854e+00 -1.221461854e+00 3.82 -1.182824302e+00 -1.182824302e+00 3.84 -1.144985601e+00 -1.144985601e+00 3.86 -1.108140893e+00 -1.108140893e+00 3.88 -1.072310658e+00 -1.072310658e+00 3.90 -1.037471777e+00 -1.037471777e+00 3.92 -1.003601203e+00 -1.003601203e+00 3.94 -9.706759250e-01 -9.706759250e-01 3.96 -9.386729208e-01 -9.386729208e-01 3.98 -9.075691175e-01 -9.075691175e-01 4.00 -8.773413396e-01 -8.773413396e-01 4.02 -8.479662569e-01 -8.479662569e-01 4.04 -8.194202814e-01 -8.194202814e-01 4.06 -7.916750210e-01 -7.916750210e-01 4.08 -7.646790844e-01 -7.646790844e-01 4.10 -7.383736133e-01 -7.383736133e-01 4.12 -7.127148995e-01 -7.127148995e-01 4.14 -6.877216305e-01 -6.877216305e-01 4.16 -6.634140503e-01 -6.634140503e-01 4.18 -6.397809432e-01 -6.397809432e-01 4.20 -6.168056269e-01 -6.168056269e-01 4.22 -5.944699584e-01 -5.944699584e-01 4.24 -5.727540924e-01 -5.727540924e-01 4.26 -5.516359943e-01 -5.516359943e-01 4.28 -5.310889413e-01 -5.310889413e-01 4.30 -5.110814153e-01 -5.110814153e-01 4.32 -4.915782835e-01 -4.915782835e-01 4.34 -4.725407206e-01 -4.725407206e-01 4.36 -4.539353896e-01 -4.539353896e-01 4.38 -4.357312617e-01 -4.357312617e-01 4.40 -4.178989638e-01 -4.178989638e-01 4.42 -4.004027524e-01 -4.004027524e-01 4.44 -3.832133200e-01 -3.832133200e-01 4.46 -3.663182865e-01 -3.663182865e-01 4.48 -3.497097752e-01 -3.497097752e-01 4.50 -3.333737801e-01 -3.333737801e-01 4.52 -3.173034311e-01 -3.173034311e-01 4.54 -3.014775616e-01 -3.014775616e-01 4.56 -2.857229011e-01 -2.857229011e-01 4.58 -2.699678736e-01 -2.699678736e-01 4.60 -2.550000111e-01 -2.550000111e-01 4.62 -2.416364371e-01 -2.416364371e-01 4.64 -2.300119607e-01 -2.300119607e-01 4.66 -2.183960148e-01 -2.183960148e-01 4.68 -2.048628345e-01 -2.048628345e-01 4.70 -1.885623749e-01 -1.885623749e-01 4.72 -1.693606672e-01 -1.693606672e-01 4.74 -1.477992508e-01 -1.477992508e-01 4.76 -1.255464602e-01 -1.255464602e-01 4.78 -1.041230900e-01 -1.041230900e-01 4.80 -8.443014008e-02 -8.443014008e-02 4.82 -6.693322370e-02 -6.693322370e-02 4.84 -5.180263031e-02 -5.180263031e-02 4.86 -3.901695094e-02 -3.901695094e-02 4.88 -2.843766337e-02 -2.843766337e-02 4.90 -1.986295601e-02 -1.986295601e-02 4.92 -1.306405508e-02 -1.306405508e-02 4.94 -7.803253972e-03 -7.803253972e-03 4.96 -3.845647853e-03 -3.845647853e-03 4.98 -9.649360947e-04 -9.649360947e-04 5.00 1.054871034e-03 1.054871034e-03 5.02 2.405931810e-03 2.405931810e-03 5.04 3.216443908e-03 3.216443908e-03 5.06 3.595934428e-03 3.595934428e-03 5.08 3.650800084e-03 3.650800084e-03 5.10 3.485347412e-03 3.485347412e-03 5.12 3.192491575e-03 3.192491575e-03 5.14 2.823962952e-03 2.823962952e-03 5.16 2.420956243e-03 2.420956243e-03 5.18 2.024465599e-03 2.024465599e-03 5.20 1.668108244e-03 1.668108244e-03 5.22 1.356233784e-03 1.356233784e-03 5.24 1.085876685e-03 1.085876685e-03 5.26 8.540714207e-04 8.540714207e-04 5.28 6.578524658e-04 6.578524658e-04 5.30 4.942542944e-04 4.942542944e-04 5.32 3.603113806e-04 3.603113806e-04 5.34 2.530581987e-04 2.530581987e-04 5.36 1.695292230e-04 1.695292230e-04 5.38 1.067589276e-04 1.067589276e-04 5.40 6.178178680e-05 6.178178680e-05 5.42 3.163227484e-05 3.163227484e-05 5.44 1.334486595e-05 1.334486595e-05 5.46 3.954034356e-06 3.954034356e-06 5.48 4.942542948e-07 4.942542948e-07 5.50 4.691142902e-11 4.686004457e-11 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 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