# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni-Al # implementation = 2025--Sharifi-H--Fe-Ni-Al--LAMMPS--ipr1 # composition = Al2FeNi # 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 2025-07-01 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 3.722995872e+02 3.722995872e+02 1.00 3.414963945e+02 3.414963945e+02 1.02 3.134509380e+02 3.134509380e+02 1.04 2.880499817e+02 2.880499817e+02 1.06 2.685353056e+02 2.685353056e+02 1.08 2.546058141e+02 2.546058141e+02 1.10 2.443266620e+02 2.443266620e+02 1.12 2.362889539e+02 2.362889539e+02 1.14 2.294901215e+02 2.294901215e+02 1.16 2.232377096e+02 2.232377096e+02 1.18 2.170733540e+02 2.170733540e+02 1.20 2.107129567e+02 2.107129567e+02 1.22 2.039999012e+02 2.039999012e+02 1.24 1.968687783e+02 1.968687783e+02 1.26 1.893174585e+02 1.893174585e+02 1.28 1.813858332e+02 1.813858332e+02 1.30 1.731398395e+02 1.731398395e+02 1.32 1.646596307e+02 1.646596307e+02 1.34 1.560310020e+02 1.560310020e+02 1.36 1.473393381e+02 1.473393381e+02 1.38 1.386655013e+02 1.386655013e+02 1.40 1.300831981e+02 1.300831981e+02 1.42 1.216574514e+02 1.216574514e+02 1.44 1.134438930e+02 1.134438930e+02 1.46 1.054886328e+02 1.054886328e+02 1.48 9.782855180e+01 9.782855180e+01 1.50 9.049188885e+01 9.049188885e+01 1.52 8.349898230e+01 8.349898230e+01 1.54 7.686310698e+01 7.686310698e+01 1.56 7.059134665e+01 7.059134665e+01 1.58 6.468546079e+01 6.468546079e+01 1.60 5.914271910e+01 5.914271910e+01 1.62 5.395668186e+01 5.395668186e+01 1.64 4.911791578e+01 4.911791578e+01 1.66 4.461463944e+01 4.461463944e+01 1.68 4.043329497e+01 4.043329497e+01 1.70 3.655904798e+01 3.655904798e+01 1.72 3.297621817e+01 3.297621817e+01 1.74 2.966864494e+01 2.966864494e+01 1.76 2.661999347e+01 2.661999347e+01 1.78 2.381400892e+01 2.381400892e+01 1.80 2.123471355e+01 2.123471355e+01 1.82 1.886656957e+01 1.886656957e+01 1.84 1.669460539e+01 1.669460539e+01 1.86 1.470450695e+01 1.470450695e+01 1.88 1.288268156e+01 1.288268156e+01 1.90 1.121629888e+01 1.121629888e+01 1.92 9.693312796e+00 9.693312796e+00 1.94 8.302465352e+00 8.302465352e+00 1.96 7.033258949e+00 7.033258949e+00 1.98 5.875918382e+00 5.875918382e+00 2.00 4.821367992e+00 4.821367992e+00 2.02 3.861207323e+00 3.861207323e+00 2.04 2.987696654e+00 2.987696654e+00 2.06 2.193827488e+00 2.193827488e+00 2.08 1.473201663e+00 1.473201663e+00 2.10 8.199256273e-01 8.199256273e-01 2.12 2.285643984e-01 2.285643984e-01 2.14 -3.058975921e-01 -3.058975921e-01 2.16 -7.880883967e-01 -7.880883967e-01 2.18 -1.222277854e+00 -1.222277854e+00 2.20 -1.612404758e+00 -1.612404758e+00 2.22 -1.962101954e+00 -1.962101954e+00 2.24 -2.274719505e+00 -2.274719505e+00 2.26 -2.553346186e+00 -2.553346186e+00 2.28 -2.800829312e+00 -2.800829312e+00 2.30 -3.019793077e+00 -3.019793077e+00 2.32 -3.212655557e+00 -3.212655557e+00 2.34 -3.381644383e+00 -3.381644383e+00 2.36 -3.528811273e+00 -3.528811273e+00 2.38 -3.656045472e+00 -3.656045472e+00 2.40 -3.765086158e+00 -3.765086158e+00 2.42 -3.857533944e+00 -3.857533944e+00 2.44 -3.934861514e+00 -3.934861514e+00 2.46 -3.998423433e+00 -3.998423433e+00 2.48 -4.049468280e+00 -4.049468280e+00 2.50 -4.089189364e+00 -4.089189364e+00 2.52 -4.118752252e+00 -4.118752252e+00 2.54 -4.139230259e+00 -4.139230259e+00 2.56 -4.151597317e+00 -4.151597317e+00 2.58 -4.156736482e+00 -4.156736482e+00 2.60 -4.155447742e+00 -4.155447742e+00 2.62 -4.148455183e+00 -4.148455183e+00 2.64 -4.136413591e+00 -4.136413591e+00 2.66 -4.119914505e+00 -4.119914505e+00 2.68 -4.099491774e+00 -4.099491774e+00 2.70 -4.075626669e+00 -4.075626669e+00 2.72 -4.048752568e+00 -4.048752568e+00 2.74 -4.019259250e+00 -4.019259250e+00 2.76 -3.987496842e+00 -3.987496842e+00 2.78 -3.953779427e+00 -3.953779427e+00 2.80 -3.918388360e+00 -3.918388360e+00 2.82 -3.881575295e+00 -3.881575295e+00 2.84 -3.843564964e+00 -3.843564964e+00 2.86 -3.804557712e+00 -3.804557712e+00 2.88 -3.764731823e+00 -3.764731823e+00 2.90 -3.724245637e+00 -3.724245637e+00 2.92 -3.683239494e+00 -3.683239494e+00 2.94 -3.641837497e+00 -3.641837497e+00 2.96 -3.600149129e+00 -3.600149129e+00 2.98 -3.558270722e+00 -3.558270722e+00 3.00 -3.516286801e+00 -3.516286801e+00 3.02 -3.474271295e+00 -3.474271295e+00 3.04 -3.432288656e+00 -3.432288656e+00 3.06 -3.390394861e+00 -3.390394861e+00 3.08 -3.348638329e+00 -3.348638329e+00 3.10 -3.307060749e+00 -3.307060749e+00 3.12 -3.265697838e+00 -3.265697838e+00 3.14 -3.224580014e+00 -3.224580014e+00 3.16 -3.183733021e+00 -3.183733021e+00 3.18 -3.143178478e+00 -3.143178478e+00 3.20 -3.102934386e+00 -3.102934386e+00 3.22 -3.063015580e+00 -3.063015580e+00 3.24 -3.023434136e+00 -3.023434136e+00 3.26 -2.984199739e+00 -2.984199739e+00 3.28 -2.945320010e+00 -2.945320010e+00 3.30 -2.906800804e+00 -2.906800804e+00 3.32 -2.868646472e+00 -2.868646472e+00 3.34 -2.830860102e+00 -2.830860102e+00 3.36 -2.793443722e+00 -2.793443722e+00 3.38 -2.756398497e+00 -2.756398497e+00 3.40 -2.719724890e+00 -2.719724890e+00 3.42 -2.683422812e+00 -2.683422812e+00 3.44 -2.647491754e+00 -2.647491754e+00 3.46 -2.611930898e+00 -2.611930898e+00 3.48 -2.576739224e+00 -2.576739224e+00 3.50 -2.541915591e+00 -2.541915591e+00 3.52 -2.507458817e+00 -2.507458817e+00 3.54 -2.473367742e+00 -2.473367742e+00 3.56 -2.439641278e+00 -2.439641278e+00 3.58 -2.406278457e+00 -2.406278457e+00 3.60 -2.373278463e+00 -2.373278463e+00 3.62 -2.340640653e+00 -2.340640653e+00 3.64 -2.308364579e+00 -2.308364579e+00 3.66 -2.276449988e+00 -2.276449988e+00 3.68 -2.244896822e+00 -2.244896822e+00 3.70 -2.213705208e+00 -2.213705208e+00 3.72 -2.182875434e+00 -2.182875434e+00 3.74 -2.152407927e+00 -2.152407927e+00 3.76 -2.122303208e+00 -2.122303208e+00 3.78 -2.092561853e+00 -2.092561853e+00 3.80 -2.063184441e+00 -2.063184441e+00 3.82 -2.034171489e+00 -2.034171489e+00 3.84 -2.005523392e+00 -2.005523392e+00 3.86 -1.977240353e+00 -1.977240353e+00 3.88 -1.949322306e+00 -1.949322306e+00 3.90 -1.921768845e+00 -1.921768845e+00 3.92 -1.894579150e+00 -1.894579150e+00 3.94 -1.867751911e+00 -1.867751911e+00 3.96 -1.841285267e+00 -1.841285267e+00 3.98 -1.815176745e+00 -1.815176745e+00 4.00 -1.789423209e+00 -1.789423209e+00 4.02 -1.764020823e+00 -1.764020823e+00 4.04 -1.738965034e+00 -1.738965034e+00 4.06 -1.714250556e+00 -1.714250556e+00 4.08 -1.689871390e+00 -1.689871390e+00 4.10 -1.665820847e+00 -1.665820847e+00 4.12 -1.642091596e+00 -1.642091596e+00 4.14 -1.618675730e+00 -1.618675730e+00 4.16 -1.595564846e+00 -1.595564846e+00 4.18 -1.572750139e+00 -1.572750139e+00 4.20 -1.550222512e+00 -1.550222512e+00 4.22 -1.527972686e+00 -1.527972686e+00 4.24 -1.505991328e+00 -1.505991328e+00 4.26 -1.484001715e+00 -1.484001715e+00 4.28 -1.456416478e+00 -1.456416478e+00 4.30 -1.401654713e+00 -1.401654713e+00 4.32 -1.263499266e+00 -1.263499266e+00 4.34 -1.189897671e+00 -1.189897671e+00 4.36 -1.169602464e+00 -1.169602464e+00 4.38 -1.149558690e+00 -1.149558690e+00 4.40 -1.129766202e+00 -1.129766202e+00 4.42 -1.110224767e+00 -1.110224767e+00 4.44 -1.090934070e+00 -1.090934070e+00 4.46 -1.071893711e+00 -1.071893711e+00 4.48 -1.053103210e+00 -1.053103210e+00 4.50 -1.034562004e+00 -1.034562004e+00 4.52 -1.016269453e+00 -1.016269453e+00 4.54 -9.982248338e-01 -9.982248338e-01 4.56 -9.804273492e-01 -9.804273492e-01 4.58 -9.628761238e-01 -9.628761238e-01 4.60 -9.455702076e-01 -9.455702076e-01 4.62 -9.285085774e-01 -9.285085774e-01 4.64 -9.116901379e-01 -9.116901379e-01 4.66 -8.951137241e-01 -8.951137241e-01 4.68 -8.787781025e-01 -8.787781025e-01 4.70 -8.626819731e-01 -8.626819731e-01 4.72 -8.468239714e-01 -8.468239714e-01 4.74 -8.312026702e-01 -8.312026702e-01 4.76 -8.158165816e-01 -8.158165816e-01 4.78 -8.006641590e-01 -8.006641590e-01 4.80 -7.857437993e-01 -7.857437993e-01 4.82 -7.710538449e-01 -7.710538449e-01 4.84 -7.565925856e-01 -7.565925856e-01 4.86 -7.423582610e-01 -7.423582610e-01 4.88 -7.283490627e-01 -7.283490627e-01 4.90 -7.145631359e-01 -7.145631359e-01 4.92 -7.001011139e-01 -7.001011139e-01 4.94 -6.733252923e-01 -6.733252923e-01 4.96 -5.969924365e-01 -5.969924365e-01 4.98 -3.786079909e-01 -3.786079909e-01 5.00 -5.569319353e-22 -5.570659893e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00