# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CrFe2Ni # 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 2.246936593e+02 2.246936593e+02 1.10 2.070258289e+02 2.070258289e+02 1.12 1.905113888e+02 1.905113888e+02 1.14 1.752589052e+02 1.752589052e+02 1.16 1.614057953e+02 1.614057953e+02 1.18 1.485775942e+02 1.485775942e+02 1.20 1.371259277e+02 1.371259277e+02 1.22 1.262111632e+02 1.262111632e+02 1.24 1.160613785e+02 1.160613785e+02 1.26 1.068685824e+02 1.068685900e+02 1.28 9.833960444e+01 9.833960444e+01 1.30 9.047127596e+01 9.047127596e+01 1.32 8.307875429e+01 8.307875429e+01 1.34 7.650369282e+01 7.650369282e+01 1.36 7.016939519e+01 7.016939519e+01 1.38 6.433855237e+01 6.433855237e+01 1.40 5.892889650e+01 5.892889650e+01 1.42 5.392858311e+01 5.392858311e+01 1.44 4.954745259e+01 4.954745259e+01 1.46 4.542523514e+01 4.542523514e+01 1.48 4.142691274e+01 4.142691274e+01 1.50 3.773001143e+01 3.773001143e+01 1.52 3.439910942e+01 3.439910942e+01 1.54 3.139792946e+01 3.139792946e+01 1.56 2.844820712e+01 2.844820712e+01 1.58 2.575084410e+01 2.575084410e+01 1.60 2.322698434e+01 2.322698434e+01 1.62 2.089420791e+01 2.089420791e+01 1.64 1.873836584e+01 1.873836584e+01 1.66 1.683068345e+01 1.683068345e+01 1.68 1.506583356e+01 1.506583356e+01 1.70 1.335095262e+01 1.335095262e+01 1.72 1.176815098e+01 1.176815098e+01 1.74 1.039261687e+01 1.039261687e+01 1.76 9.037913513e+00 9.037913513e+00 1.78 7.789338510e+00 7.789338510e+00 1.80 6.639224328e+00 6.639224328e+00 1.82 5.693565568e+00 5.693565568e+00 1.84 4.709495610e+00 4.709495610e+00 1.86 3.973673496e+00 3.973673496e+00 1.88 3.128171227e+00 3.128171227e+00 1.90 2.352541513e+00 2.352541513e+00 1.92 1.641742883e+00 1.641742883e+00 1.94 1.034513948e+00 1.034513948e+00 1.96 4.360152666e-01 4.360152666e-01 1.98 -1.103916940e-01 -1.103916940e-01 2.00 -6.084755304e-01 -6.084755304e-01 2.02 -1.061736970e+00 -1.061736970e+00 2.04 -1.473428838e+00 -1.473428838e+00 2.06 -1.846574410e+00 -1.846574410e+00 2.08 -2.183984298e+00 -2.183984298e+00 2.10 -2.412357159e+00 -2.412357341e+00 2.12 -2.650479114e+00 -2.650479114e+00 2.14 -2.904337570e+00 -2.904337570e+00 2.16 -3.131193342e+00 -3.131193342e+00 2.18 -3.333056163e+00 -3.333056163e+00 2.20 -3.511795999e+00 -3.511795999e+00 2.22 -3.669152947e+00 -3.669152947e+00 2.24 -3.719875289e+00 -3.719875289e+00 2.26 -3.845603686e+00 -3.845603686e+00 2.28 -3.954009727e+00 -3.954009727e+00 2.30 -4.046433089e+00 -4.046433089e+00 2.32 -4.124120576e+00 -4.124120576e+00 2.34 -4.188232531e+00 -4.188232531e+00 2.36 -4.239848791e+00 -4.239848791e+00 2.38 -4.279974204e+00 -4.279974204e+00 2.40 -4.309543764e+00 -4.309543764e+00 2.42 -4.329427374e+00 -4.329427374e+00 2.44 -4.249394855e+00 -4.249394855e+00 2.46 -4.258414090e+00 -4.258414090e+00 2.48 -4.259597218e+00 -4.259597218e+00 2.50 -4.253622541e+00 -4.253622541e+00 2.52 -4.155501837e+00 -4.155501837e+00 2.54 -4.142699763e+00 -4.142699763e+00 2.56 -4.124131333e+00 -4.124131333e+00 2.58 -4.100326791e+00 -4.100326791e+00 2.60 -4.071778757e+00 -4.071778757e+00 2.62 -4.038944739e+00 -4.038944739e+00 2.64 -4.002249477e+00 -4.002249477e+00 2.66 -3.962087129e+00 -3.962087129e+00 2.68 -3.918823316e+00 -3.918823316e+00 2.70 -3.872797024e+00 -3.872797024e+00 2.72 -3.824322386e+00 -3.824322386e+00 2.74 -3.751739061e+00 -3.751739061e+00 2.76 -3.700546655e+00 -3.700546655e+00 2.78 -3.647635219e+00 -3.647635219e+00 2.80 -3.593239812e+00 -3.593239812e+00 2.82 -3.537577634e+00 -3.537577634e+00 2.84 -3.480849228e+00 -3.480849228e+00 2.86 -3.423239597e+00 -3.423239597e+00 2.88 -3.364919253e+00 -3.364919253e+00 2.90 -3.306045190e+00 -3.306045190e+00 2.92 -3.246761805e+00 -3.246761805e+00 2.94 -3.187201745e+00 -3.187201745e+00 2.96 -3.127486715e+00 -3.127486715e+00 2.98 -3.067728214e+00 -3.067728214e+00 3.00 -3.008028246e+00 -3.008028246e+00 3.02 -2.948479961e+00 -2.948479961e+00 3.04 -2.889168276e+00 -2.889168276e+00 3.06 -2.830170437e+00 -2.830170437e+00 3.08 -2.771556562e+00 -2.771556562e+00 3.10 -2.713390130e+00 -2.713390130e+00 3.12 -2.655728455e+00 -2.655728455e+00 3.14 -2.598623122e+00 -2.598623122e+00 3.16 -2.512580910e+00 -2.512580910e+00 3.18 -2.458276529e+00 -2.458276529e+00 3.20 -2.404571305e+00 -2.404571305e+00 3.22 -2.351501956e+00 -2.351501956e+00 3.24 -2.299101046e+00 -2.299101046e+00 3.26 -2.247397278e+00 -2.247397278e+00 3.28 -2.196415784e+00 -2.196415784e+00 3.30 -2.057870596e+00 -2.057870596e+00 3.32 -2.012857858e+00 -2.012857858e+00 3.34 -1.968399332e+00 -1.968399332e+00 3.36 -1.924519534e+00 -1.924519534e+00 3.38 -1.881240007e+00 -1.881240007e+00 3.40 -1.838579540e+00 -1.838579540e+00 3.42 -1.796554370e+00 -1.796554370e+00 3.44 -1.755178365e+00 -1.755178365e+00 3.46 -1.714463202e+00 -1.714463202e+00 3.48 -1.674418533e+00 -1.674418533e+00 3.50 -1.635052136e+00 -1.635052136e+00 3.52 -1.596370061e+00 -1.596370061e+00 3.54 -1.558376767e+00 -1.558376767e+00 3.56 -1.521075240e+00 -1.521075240e+00 3.58 -1.484467121e+00 -1.484467121e+00 3.60 -1.448552809e+00 -1.448552809e+00 3.62 -1.413331566e+00 -1.413331566e+00 3.64 -1.378801614e+00 -1.378801614e+00 3.66 -1.344960222e+00 -1.344960222e+00 3.68 -1.311803794e+00 -1.311803794e+00 3.70 -1.279327943e+00 -1.279327943e+00 3.72 -1.247527566e+00 -1.247527566e+00 3.74 -1.216396910e+00 -1.216396910e+00 3.76 -1.185929638e+00 -1.185929638e+00 3.78 -1.156118887e+00 -1.156118887e+00 3.80 -1.126957319e+00 -1.126957319e+00 3.82 -1.098437178e+00 -1.098437178e+00 3.84 -1.070550335e+00 -1.070550335e+00 3.86 -9.979145602e-01 -9.979145602e-01 3.88 -9.732266177e-01 -9.732266177e-01 3.90 -9.490615935e-01 -9.490615935e-01 3.92 -9.254138637e-01 -9.254138637e-01 3.94 -9.022774713e-01 -9.022774713e-01 3.96 -8.796461619e-01 -8.796461619e-01 3.98 -8.575134178e-01 -8.575134178e-01 4.00 -8.358724895e-01 -8.358724895e-01 4.02 -8.147164245e-01 -8.147164245e-01 4.04 -7.940380950e-01 -7.940380950e-01 4.06 -7.738302225e-01 -7.738302225e-01 4.08 -7.540854017e-01 -7.540854017e-01 4.10 -7.347961218e-01 -7.347961218e-01 4.12 -7.159547867e-01 -7.159547867e-01 4.14 -6.975537337e-01 -6.975537337e-01 4.16 -6.795852505e-01 -6.795852505e-01 4.18 -6.620415908e-01 -6.620415908e-01 4.20 -6.449149894e-01 -6.449149894e-01 4.22 -6.281976753e-01 -6.281976753e-01 4.24 -6.118818842e-01 -6.118818842e-01 4.26 -5.959598696e-01 -5.959598696e-01 4.28 -5.804239135e-01 -5.804239135e-01 4.30 -5.652663357e-01 -5.652663357e-01 4.32 -5.504795025e-01 -5.504795025e-01 4.34 -5.360558345e-01 -5.360558345e-01 4.36 -5.219878142e-01 -5.219878142e-01 4.38 -5.082679917e-01 -5.082679917e-01 4.40 -4.948889913e-01 -4.948889913e-01 4.42 -4.818435164e-01 -4.818435164e-01 4.44 -4.691243543e-01 -4.691243543e-01 4.46 -4.567243803e-01 -4.567243803e-01 4.48 -4.446365617e-01 -4.446365617e-01 4.50 -4.328539607e-01 -4.328539607e-01 4.52 -4.213697375e-01 -4.213697375e-01 4.54 -4.101771530e-01 -4.101771530e-01 4.56 -3.992695704e-01 -3.992695704e-01 4.58 -3.886404574e-01 -3.886404574e-01 4.60 -3.782833875e-01 -3.782833875e-01 4.62 -3.681920416e-01 -3.681920416e-01 4.64 -3.583602082e-01 -3.583602082e-01 4.66 -3.487817849e-01 -3.487817849e-01 4.68 -3.394507783e-01 -3.394507783e-01 4.70 -3.303613048e-01 -3.303613048e-01 4.72 -3.215075900e-01 -3.215075900e-01 4.74 -3.128839695e-01 -3.128839695e-01 4.76 -3.044848877e-01 -3.044848877e-01 4.78 -2.963048981e-01 -2.963048981e-01 4.80 -2.883386626e-01 -2.883386626e-01 4.82 -2.805809505e-01 -2.805809505e-01 4.84 -2.730266384e-01 -2.730266384e-01 4.86 -2.656707087e-01 -2.656707087e-01 4.88 -2.585082489e-01 -2.585082489e-01 4.90 -2.515344507e-01 -2.515344507e-01 4.92 -2.447446087e-01 -2.447446087e-01 4.94 -2.381341192e-01 -2.381341192e-01 4.96 -2.316984790e-01 -2.316984790e-01 4.98 -2.254332843e-01 -2.254332843e-01 5.00 -2.193342291e-01 -2.193342291e-01 5.02 -2.133971038e-01 -2.133971038e-01 5.04 -2.076177941e-01 -2.076177941e-01 5.06 -2.019922792e-01 -2.019922792e-01 5.08 -1.965166304e-01 -1.965166304e-01 5.10 -1.911870100e-01 -1.911870100e-01 5.12 -1.859996692e-01 -1.859996692e-01 5.14 -1.809509470e-01 -1.809509470e-01 5.16 -1.760372683e-01 -1.760372683e-01 5.18 -1.712551428e-01 -1.712551428e-01 5.20 -1.666011632e-01 -1.666011632e-01 5.22 -1.620720036e-01 -1.620720036e-01 5.24 -1.576644181e-01 -1.576644181e-01 5.26 -1.533752392e-01 -1.533752392e-01 5.28 -1.492013762e-01 -1.492013762e-01 5.30 -1.451398139e-01 -1.451398139e-01 5.32 -1.411876106e-01 -1.411876106e-01 5.34 -1.373418973e-01 -1.373418973e-01 5.36 -1.335998754e-01 -1.335998754e-01 5.38 -1.299588161e-01 -1.299588161e-01 5.40 -1.264160580e-01 -1.264160580e-01 5.42 -1.229690063e-01 -1.229690063e-01 5.44 -1.196151313e-01 -1.196151313e-01 5.46 -9.373349938e-02 -9.373349938e-02 5.48 -9.125357151e-02 -9.125357151e-02 5.50 -8.883834016e-02 -8.883834016e-02 5.52 -8.648616681e-02 -8.648616681e-02 5.54 -8.419545173e-02 -8.419545173e-02 5.56 -8.196463325e-02 -8.196463325e-02 5.58 -7.979218698e-02 -7.979218698e-02 5.60 -7.767662504e-02 -7.767662504e-02 5.62 -7.561649536e-02 -7.561649536e-02 5.64 -7.361038086e-02 -7.361038086e-02 5.66 -7.165689880e-02 -7.165689880e-02 5.68 -6.975470000e-02 -6.975470000e-02 5.70 -6.790246816e-02 -6.790246816e-02 5.72 -6.609891914e-02 -6.609891914e-02 5.74 -6.434280024e-02 -6.434280024e-02 5.76 -6.263288957e-02 -6.263288957e-02 5.78 -6.096799534e-02 -6.096799534e-02 5.80 -5.934695517e-02 -5.934695517e-02 5.82 -5.776863549e-02 -5.776863549e-02 5.84 -5.623193085e-02 -5.623193085e-02 5.86 -5.473576332e-02 -5.473576332e-02 5.88 -5.327908182e-02 -5.327908182e-02 5.90 -5.186086158e-02 -5.186086158e-02 5.92 -5.048010345e-02 -5.048010345e-02 5.94 -4.913583338e-02 -4.913583338e-02 5.96 -4.782710180e-02 -4.782710180e-02 5.98 -4.655298306e-02 -4.655298306e-02 6.00 -4.531257488e-02 -4.531257488e-02