# 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 = CrMn2Ni # 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 2.133142388e+02 2.133142388e+02 1.10 1.965696775e+02 1.965696775e+02 1.12 1.809620437e+02 1.809620437e+02 1.14 1.665585704e+02 1.665585704e+02 1.16 1.534512083e+02 1.534512083e+02 1.18 1.413255410e+02 1.413255410e+02 1.20 1.304476551e+02 1.304476551e+02 1.22 1.201345047e+02 1.201345047e+02 1.24 1.105567163e+02 1.105567163e+02 1.26 1.018572358e+02 1.018572299e+02 1.28 9.379210116e+01 9.379210116e+01 1.30 8.635068755e+01 8.635068755e+01 1.32 7.937735861e+01 7.937735861e+01 1.34 7.313764872e+01 7.313764872e+01 1.36 6.716477954e+01 6.716477954e+01 1.38 6.166266720e+01 6.166266720e+01 1.40 5.656018098e+01 5.656018098e+01 1.42 5.184291875e+01 5.184291875e+01 1.44 4.767339475e+01 4.767339475e+01 1.46 4.376065953e+01 4.376065953e+01 1.48 3.999242807e+01 3.999242807e+01 1.50 3.650735061e+01 3.650735061e+01 1.52 3.335376371e+01 3.335376371e+01 1.54 3.049938077e+01 3.049938077e+01 1.56 2.771979093e+01 2.771979093e+01 1.58 2.517284311e+01 2.517284311e+01 1.60 2.279320273e+01 2.279320273e+01 1.62 2.059283244e+01 2.059283244e+01 1.64 1.855847034e+01 1.855847034e+01 1.66 1.674512894e+01 1.674512894e+01 1.68 1.506689323e+01 1.506689323e+01 1.70 1.344835049e+01 1.344835049e+01 1.72 1.195357690e+01 1.195357690e+01 1.74 1.064126397e+01 1.064126397e+01 1.76 9.361268018e+00 9.361268018e+00 1.78 8.180656069e+00 8.180656069e+00 1.80 7.092254054e+00 7.092254054e+00 1.82 6.179761656e+00 6.179761656e+00 1.84 5.248146660e+00 5.248146660e+00 1.86 4.525386235e+00 4.525386235e+00 1.88 3.725309240e+00 3.725309240e+00 1.90 2.990448587e+00 2.990448587e+00 1.92 2.316105278e+00 2.316105278e+00 1.94 1.732588931e+00 1.732588931e+00 1.96 1.163542289e+00 1.163542289e+00 1.98 6.431051066e-01 6.431051066e-01 2.00 1.677672074e-01 1.677672074e-01 2.02 -2.657320381e-01 -2.657320381e-01 2.04 -6.604222964e-01 -6.604222964e-01 2.06 -1.019119358e+00 -1.019119358e+00 2.08 -1.344440857e+00 -1.344440857e+00 2.10 -1.578266332e+00 -1.578266190e+00 2.12 -1.815768021e+00 -1.815768021e+00 2.14 -2.061912597e+00 -2.061912597e+00 2.16 -2.282891033e+00 -2.282891033e+00 2.18 -2.480569251e+00 -2.480569251e+00 2.20 -2.656683300e+00 -2.656683300e+00 2.22 -2.812848546e+00 -2.812848546e+00 2.24 -2.881197832e+00 -2.881197832e+00 2.26 -3.007052820e+00 -3.007052820e+00 2.28 -3.116777149e+00 -3.116777149e+00 2.30 -3.211610976e+00 -3.211610976e+00 2.32 -3.292708383e+00 -3.292708383e+00 2.34 -3.361143324e+00 -3.361143324e+00 2.36 -3.417915154e+00 -3.417915154e+00 2.38 -3.463953752e+00 -3.463953752e+00 2.40 -3.500124286e+00 -3.500124286e+00 2.42 -3.527231634e+00 -3.527231634e+00 2.44 -3.473292552e+00 -3.473292552e+00 2.46 -3.489445761e+00 -3.489445761e+00 2.48 -3.498288860e+00 -3.498288860e+00 2.50 -3.500446880e+00 -3.500446880e+00 2.52 -3.428257511e+00 -3.428257511e+00 2.54 -3.423301610e+00 -3.423301610e+00 2.56 -3.412980848e+00 -3.412980848e+00 2.58 -3.397781439e+00 -3.397781439e+00 2.60 -3.378155043e+00 -3.378155043e+00 2.62 -3.354521078e+00 -3.354521078e+00 2.64 -3.327268882e+00 -3.327268882e+00 2.66 -3.296759732e+00 -3.296759732e+00 2.68 -3.263328723e+00 -3.263328723e+00 2.70 -3.227286525e+00 -3.227286525e+00 2.72 -3.188921017e+00 -3.188921017e+00 2.74 -3.130966780e+00 -3.130966780e+00 2.76 -3.089811521e+00 -3.089811521e+00 2.78 -3.047008758e+00 -3.047008758e+00 2.80 -3.002773539e+00 -3.002773539e+00 2.82 -2.957304589e+00 -2.957304589e+00 2.84 -2.910785399e+00 -2.910785399e+00 2.86 -2.863385263e+00 -2.863385263e+00 2.88 -2.815260231e+00 -2.815260231e+00 2.90 -2.766554014e+00 -2.766554014e+00 2.92 -2.717398816e+00 -2.717398816e+00 2.94 -2.667916120e+00 -2.667916120e+00 2.96 -2.618217423e+00 -2.618217423e+00 2.98 -2.568404917e+00 -2.568404917e+00 3.00 -2.518572129e+00 -2.518572129e+00 3.02 -2.468804523e+00 -2.468804523e+00 3.04 -2.419180054e+00 -2.419180054e+00 3.06 -2.369769692e+00 -2.369769692e+00 3.08 -2.320637914e+00 -2.320637914e+00 3.10 -2.271843152e+00 -2.271843152e+00 3.12 -2.223438229e+00 -2.223438229e+00 3.14 -2.175470751e+00 -2.175470751e+00 3.16 -2.104394444e+00 -2.104394444e+00 3.18 -2.058686392e+00 -2.058686392e+00 3.20 -2.013463787e+00 -2.013463787e+00 3.22 -1.968760411e+00 -1.968760411e+00 3.24 -1.924606279e+00 -1.924606279e+00 3.26 -1.881027915e+00 -1.881027915e+00 3.28 -1.838048608e+00 -1.838048608e+00 3.30 -1.725272928e+00 -1.725272928e+00 3.32 -1.687153984e+00 -1.687153984e+00 3.34 -1.649503078e+00 -1.649503078e+00 3.36 -1.612342101e+00 -1.612342101e+00 3.38 -1.575690295e+00 -1.575690295e+00 3.40 -1.539564447e+00 -1.539564447e+00 3.42 -1.503979066e+00 -1.503979066e+00 3.44 -1.468946555e+00 -1.468946555e+00 3.46 -1.434477370e+00 -1.434477370e+00 3.48 -1.400580161e+00 -1.400580161e+00 3.50 -1.367261920e+00 -1.367261920e+00 3.52 -1.334528101e+00 -1.334528101e+00 3.54 -1.302382747e+00 -1.302382747e+00 3.56 -1.270828599e+00 -1.270828599e+00 3.58 -1.239867205e+00 -1.239867205e+00 3.60 -1.209499013e+00 -1.209499013e+00 3.62 -1.179723469e+00 -1.179723469e+00 3.64 -1.150539099e+00 -1.150539099e+00 3.66 -1.121943589e+00 -1.121943589e+00 3.68 -1.093933862e+00 -1.093933862e+00 3.70 -1.066506144e+00 -1.066506144e+00 3.72 -1.039656033e+00 -1.039656033e+00 3.74 -1.013378555e+00 -1.013378555e+00 3.76 -9.876682236e-01 -9.876682236e-01 3.78 -9.625190909e-01 -9.625190909e-01 3.80 -9.379247958e-01 -9.379247958e-01 3.82 -9.138786096e-01 -9.138786096e-01 3.84 -8.903734780e-01 -8.903734780e-01 3.86 -8.311438940e-01 -8.311438940e-01 3.88 -8.102876131e-01 -8.102876131e-01 3.90 -7.898802668e-01 -7.898802668e-01 3.92 -7.699168664e-01 -7.699168664e-01 3.94 -7.503921374e-01 -7.503921374e-01 3.96 -7.313005516e-01 -7.313005516e-01 3.98 -7.126363565e-01 -7.126363565e-01 4.00 -6.943936029e-01 -6.943936029e-01 4.02 -6.765661707e-01 -6.765661707e-01 4.04 -6.591477923e-01 -6.591477923e-01 4.06 -6.421320744e-01 -6.421320744e-01 4.08 -6.255125192e-01 -6.255125192e-01 4.10 -6.092825424e-01 -6.092825424e-01 4.12 -5.934354909e-01 -5.934354909e-01 4.14 -5.779646593e-01 -5.779646593e-01 4.16 -5.628633041e-01 -5.628633041e-01 4.18 -5.481246580e-01 -5.481246580e-01 4.20 -5.337419422e-01 -5.337419422e-01 4.22 -5.197083778e-01 -5.197083778e-01 4.24 -5.060171971e-01 -5.060171971e-01 4.26 -4.926616524e-01 -4.926616524e-01 4.28 -4.796350259e-01 -4.796350259e-01 4.30 -4.669306369e-01 -4.669306369e-01 4.32 -4.545418498e-01 -4.545418498e-01 4.34 -4.424620808e-01 -4.424620808e-01 4.36 -4.306848035e-01 -4.306848035e-01 4.38 -4.192035549e-01 -4.192035549e-01 4.40 -4.080119401e-01 -4.080119401e-01 4.42 -3.971036367e-01 -3.971036367e-01 4.44 -3.864723988e-01 -3.864723988e-01 4.46 -3.761120606e-01 -3.761120606e-01 4.48 -3.660165394e-01 -3.660165394e-01 4.50 -3.561798380e-01 -3.561798380e-01 4.52 -3.465960478e-01 -3.465960478e-01 4.54 -3.372593499e-01 -3.372593499e-01 4.56 -3.281640174e-01 -3.281640174e-01 4.58 -3.193044169e-01 -3.193044169e-01 4.60 -3.106750090e-01 -3.106750090e-01 4.62 -3.022703500e-01 -3.022703500e-01 4.64 -2.940850920e-01 -2.940850920e-01 4.66 -2.861139837e-01 -2.861139837e-01 4.68 -2.783518706e-01 -2.783518706e-01 4.70 -2.707936950e-01 -2.707936950e-01 4.72 -2.634344962e-01 -2.634344962e-01 4.74 -2.562694102e-01 -2.562694102e-01 4.76 -2.492936691e-01 -2.492936691e-01 4.78 -2.425026011e-01 -2.425026011e-01 4.80 -2.358916296e-01 -2.358916296e-01 4.82 -2.294562727e-01 -2.294562727e-01 4.84 -2.231921423e-01 -2.231921423e-01 4.86 -2.170949434e-01 -2.170949434e-01 4.88 -2.111604732e-01 -2.111604732e-01 4.90 -2.053846197e-01 -2.053846197e-01 4.92 -1.997633613e-01 -1.997633613e-01 4.94 -1.942927651e-01 -1.942927651e-01 4.96 -1.889689861e-01 -1.889689861e-01 4.98 -1.837882659e-01 -1.837882659e-01 5.00 -1.787469314e-01 -1.787469314e-01 5.02 -1.738413936e-01 -1.738413936e-01 5.04 -1.690681464e-01 -1.690681464e-01 5.06 -1.644237650e-01 -1.644237650e-01 5.08 -1.599049048e-01 -1.599049048e-01 5.10 -1.555083000e-01 -1.555083000e-01 5.12 -1.512307622e-01 -1.512307622e-01 5.14 -1.470691791e-01 -1.470691791e-01 5.16 -1.430205129e-01 -1.430205129e-01 5.18 -1.390817992e-01 -1.390817992e-01 5.20 -1.352501454e-01 -1.352501454e-01 5.22 -1.315227295e-01 -1.315227295e-01 5.24 -1.278967986e-01 -1.278967986e-01 5.26 -1.243696675e-01 -1.243696675e-01 5.28 -1.209387173e-01 -1.209387173e-01 5.30 -1.176013943e-01 -1.176013943e-01 5.32 -1.143552083e-01 -1.143552083e-01 5.34 -1.111977317e-01 -1.111977317e-01 5.36 -1.081265975e-01 -1.081265975e-01 5.38 -1.051394986e-01 -1.051394986e-01 5.40 -1.022341864e-01 -1.022341864e-01 5.42 -9.940846927e-02 -9.940846927e-02 5.44 -9.666021139e-02 -9.666021139e-02 5.46 -7.591911265e-02 -7.591911265e-02 5.48 -7.388350333e-02 -7.388350333e-02 5.50 -7.190173851e-02 -7.190173851e-02 5.52 -6.997243405e-02 -6.997243405e-02 5.54 -6.809423916e-02 -6.809423916e-02 5.56 -6.626583576e-02 -6.626583576e-02 5.58 -6.448593778e-02 -6.448593778e-02 5.60 -6.275329049e-02 -6.275329049e-02 5.62 -6.106666987e-02 -6.106666987e-02 5.64 -5.942488193e-02 -5.942488193e-02 5.66 -5.782676207e-02 -5.782676207e-02 5.68 -5.627117448e-02 -5.627117448e-02 5.70 -5.475701146e-02 -5.475701146e-02 5.72 -5.328319283e-02 -5.328319283e-02 5.74 -5.184866532e-02 -5.184866532e-02 5.76 -5.045240199e-02 -5.045240199e-02 5.78 -4.909340159e-02 -4.909340159e-02 5.80 -4.777068802e-02 -4.777068802e-02 5.82 -4.648330974e-02 -4.648330974e-02 5.84 -4.523033921e-02 -4.523033921e-02 5.86 -4.401087235e-02 -4.401087235e-02 5.88 -4.282402797e-02 -4.282402797e-02 5.90 -4.166894728e-02 -4.166894728e-02 5.92 -4.054479332e-02 -4.054479332e-02 5.94 -3.945075047e-02 -3.945075047e-02 5.96 -3.838602393e-02 -3.838602393e-02 5.98 -3.734983927e-02 -3.734983927e-02 6.00 -3.634144188e-02 -3.634144188e-02