# 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 = AlFe2Ni # 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 2.201915637e+02 2.201915637e+02 1.10 2.033939864e+02 2.033939864e+02 1.12 1.875653256e+02 1.875653256e+02 1.14 1.728946258e+02 1.728946258e+02 1.16 1.596177018e+02 1.596177018e+02 1.18 1.472808469e+02 1.472808469e+02 1.20 1.363875137e+02 1.363875137e+02 1.22 1.258531907e+02 1.258531907e+02 1.24 1.160067354e+02 1.160067354e+02 1.26 1.071384505e+02 1.071383794e+02 1.28 9.888022358e+01 9.888022358e+01 1.30 9.125754138e+01 9.125754138e+01 1.32 8.403208670e+01 8.403208670e+01 1.34 7.769022521e+01 7.769022521e+01 1.36 7.147057091e+01 7.147057091e+01 1.38 6.574434149e+01 6.574434149e+01 1.40 6.041422735e+01 6.041422735e+01 1.42 5.547873383e+01 5.547873383e+01 1.44 5.123197959e+01 5.123197959e+01 1.46 4.721038014e+01 4.721038014e+01 1.48 4.322827918e+01 4.322827918e+01 1.50 3.953891526e+01 3.953891526e+01 1.52 3.623943862e+01 3.623943862e+01 1.54 3.328577699e+01 3.328577699e+01 1.56 3.031547651e+01 3.031547651e+01 1.58 2.760398050e+01 2.760398050e+01 1.60 2.504959757e+01 2.504959757e+01 1.62 2.268267657e+01 2.268267657e+01 1.64 2.048956582e+01 2.048956582e+01 1.66 1.857259916e+01 1.857259916e+01 1.68 1.679145726e+01 1.679145726e+01 1.70 1.502802907e+01 1.502802907e+01 1.72 1.339546824e+01 1.339546824e+01 1.74 1.200197699e+01 1.200197699e+01 1.76 1.059359655e+01 1.059359655e+01 1.78 9.291061662e+00 9.291061662e+00 1.80 8.086905148e+00 8.086905148e+00 1.82 7.127886982e+00 7.127886982e+00 1.84 6.087171898e+00 6.087171898e+00 1.86 5.352495842e+00 5.352495842e+00 1.88 4.447687821e+00 4.447687821e+00 1.90 3.613830559e+00 3.613830559e+00 1.92 2.845954242e+00 2.845954242e+00 1.94 2.199513660e+00 2.199513660e+00 1.96 1.545349170e+00 1.545349170e+00 1.98 9.446416817e-01 9.446416817e-01 2.00 3.936528196e-01 3.936528196e-01 2.02 -1.110952138e-01 -1.110952138e-01 2.04 -5.728388733e-01 -5.728388733e-01 2.06 -9.945909612e-01 -9.945909612e-01 2.08 -1.379156909e+00 -1.379156909e+00 2.10 -1.627903171e+00 -1.627901464e+00 2.12 -1.897766446e+00 -1.897766446e+00 2.14 -2.196769294e+00 -2.196769294e+00 2.16 -2.467206664e+00 -2.467206664e+00 2.18 -2.711109048e+00 -2.711109048e+00 2.20 -2.930369568e+00 -2.930369568e+00 2.22 -3.126753550e+00 -3.126753550e+00 2.24 -3.181713852e+00 -3.181713852e+00 2.26 -3.345407842e+00 -3.345407842e+00 2.28 -3.490276464e+00 -3.490276464e+00 2.30 -3.617694373e+00 -3.617694373e+00 2.32 -3.728944111e+00 -3.728944111e+00 2.34 -3.825222332e+00 -3.825222332e+00 2.36 -3.907645592e+00 -3.907645592e+00 2.38 -3.977255713e+00 -3.977255713e+00 2.40 -4.035024786e+00 -4.035024786e+00 2.42 -4.081859812e+00 -4.081859812e+00 2.44 -3.994935227e+00 -3.994935227e+00 2.46 -4.030307927e+00 -4.030307927e+00 2.48 -4.056613782e+00 -4.056613782e+00 2.50 -4.074571608e+00 -4.074571608e+00 2.52 -3.970298763e+00 -3.970298763e+00 2.54 -3.980664661e+00 -3.980664661e+00 2.56 -3.984119262e+00 -3.984119262e+00 2.58 -3.981233766e+00 -3.981233766e+00 2.60 -3.972540901e+00 -3.972540901e+00 2.62 -3.958537394e+00 -3.958537394e+00 2.64 -3.939686300e+00 -3.939686300e+00 2.66 -3.916419163e+00 -3.916419163e+00 2.68 -3.889138050e+00 -3.889138050e+00 2.70 -3.858217439e+00 -3.858217439e+00 2.72 -3.824006000e+00 -3.824006000e+00 2.74 -3.756479908e+00 -3.756479908e+00 2.76 -3.718346357e+00 -3.718346357e+00 2.78 -3.677733139e+00 -3.677733139e+00 2.80 -3.634906590e+00 -3.634906590e+00 2.82 -3.590114238e+00 -3.590114238e+00 2.84 -3.543586009e+00 -3.543586009e+00 2.86 -3.495535359e+00 -3.495535359e+00 2.88 -3.446160333e+00 -3.446160333e+00 2.90 -3.395644556e+00 -3.395644556e+00 2.92 -3.344158164e+00 -3.344158164e+00 2.94 -3.291858674e+00 -3.291858674e+00 2.96 -3.238891799e+00 -3.238891799e+00 2.98 -3.185392214e+00 -3.185392214e+00 3.00 -3.131484275e+00 -3.131484275e+00 3.02 -3.077282685e+00 -3.077282685e+00 3.04 -3.022893131e+00 -3.022893131e+00 3.06 -2.968412870e+00 -2.968412870e+00 3.08 -2.913931280e+00 -2.913931280e+00 3.10 -2.859530388e+00 -2.859530388e+00 3.12 -2.805285345e+00 -2.805285345e+00 3.14 -2.751264889e+00 -2.751264889e+00 3.16 -2.657348752e+00 -2.657348752e+00 3.18 -2.605969395e+00 -2.605969395e+00 3.20 -2.554886556e+00 -2.554886556e+00 3.22 -2.504152246e+00 -2.504152246e+00 3.24 -2.453813711e+00 -2.453813711e+00 3.26 -2.403913752e+00 -2.403913752e+00 3.28 -2.354491026e+00 -2.354491026e+00 3.30 -2.187634137e+00 -2.187634137e+00 3.32 -2.144900032e+00 -2.144900032e+00 3.34 -2.102469177e+00 -2.102469177e+00 3.36 -2.060378902e+00 -2.060378902e+00 3.38 -2.018663054e+00 -2.018663054e+00 3.40 -1.977352235e+00 -1.977352235e+00 3.42 -1.936474008e+00 -1.936474008e+00 3.44 -1.896053111e+00 -1.896053111e+00 3.46 -1.856111638e+00 -1.856111638e+00 3.48 -1.816669224e+00 -1.816669224e+00 3.50 -1.777743212e+00 -1.777743212e+00 3.52 -1.739348810e+00 -1.739348810e+00 3.54 -1.701499242e+00 -1.701499242e+00 3.56 -1.664205885e+00 -1.664205885e+00 3.58 -1.627478402e+00 -1.627478402e+00 3.60 -1.591324865e+00 -1.591324865e+00 3.62 -1.555751869e+00 -1.555751869e+00 3.64 -1.520764641e+00 -1.520764641e+00 3.66 -1.486367143e+00 -1.486367143e+00 3.68 -1.452562167e+00 -1.452562167e+00 3.70 -1.419351421e+00 -1.419351421e+00 3.72 -1.386735618e+00 -1.386735618e+00 3.74 -1.354714552e+00 -1.354714552e+00 3.76 -1.323287172e+00 -1.323287172e+00 3.78 -1.292451650e+00 -1.292451650e+00 3.80 -1.262205447e+00 -1.262205447e+00 3.82 -1.232545372e+00 -1.232545372e+00 3.84 -1.203467641e+00 -1.203467641e+00 3.86 -1.112384245e+00 -1.112384245e+00 3.88 -1.086970033e+00 -1.086970033e+00 3.90 -1.062023103e+00 -1.062023103e+00 3.92 -1.037541787e+00 -1.037541787e+00 3.94 -1.013523896e+00 -1.013523896e+00 3.96 -9.899667671e-01 -9.899667671e-01 3.98 -9.668673056e-01 -9.668673056e-01 4.00 -9.442220194e-01 -9.442220194e-01 4.02 -9.220270570e-01 -9.220270570e-01 4.04 -9.002782402e-01 -9.002782402e-01 4.06 -8.789710953e-01 -8.789710953e-01 4.08 -8.581008825e-01 -8.581008825e-01 4.10 -8.376626230e-01 -8.376626230e-01 4.12 -8.176511247e-01 -8.176511247e-01 4.14 -7.980610057e-01 -7.980610057e-01 4.16 -7.788867172e-01 -7.788867172e-01 4.18 -7.601225632e-01 -7.601225632e-01 4.20 -7.417627209e-01 -7.417627209e-01 4.22 -7.238012580e-01 -7.238012580e-01 4.24 -7.062321496e-01 -7.062321496e-01 4.26 -6.890492940e-01 -6.890492940e-01 4.28 -6.722465269e-01 -6.722465269e-01 4.30 -6.558176348e-01 -6.558176348e-01 4.32 -6.397563679e-01 -6.397563679e-01 4.34 -6.240564512e-01 -6.240564512e-01 4.36 -6.087115951e-01 -6.087115951e-01 4.38 -5.937155057e-01 -5.937155057e-01 4.40 -5.790618936e-01 -5.790618936e-01 4.42 -5.647444824e-01 -5.647444824e-01 4.44 -5.507570164e-01 -5.507570164e-01 4.46 -5.370932674e-01 -5.370932674e-01 4.48 -5.237470418e-01 -5.237470418e-01 4.50 -5.107121861e-01 -5.107121861e-01 4.52 -4.979825924e-01 -4.979825924e-01 4.54 -4.855522034e-01 -4.855522034e-01 4.56 -4.734150169e-01 -4.734150169e-01 4.58 -4.615650898e-01 -4.615650898e-01 4.60 -4.499965419e-01 -4.499965419e-01 4.62 -4.387035591e-01 -4.387035591e-01 4.64 -4.276803960e-01 -4.276803960e-01 4.66 -4.169213794e-01 -4.169213794e-01 4.68 -4.064209097e-01 -4.064209097e-01 4.70 -3.961734634e-01 -3.961734634e-01 4.72 -3.861735948e-01 -3.861735948e-01 4.74 -3.764159375e-01 -3.764159375e-01 4.76 -3.668952057e-01 -3.668952057e-01 4.78 -3.576061953e-01 -3.576061953e-01 4.80 -3.485437848e-01 -3.485437848e-01 4.82 -3.397029359e-01 -3.397029359e-01 4.84 -3.310786942e-01 -3.310786942e-01 4.86 -3.226661893e-01 -3.226661893e-01 4.88 -3.144606353e-01 -3.144606353e-01 4.90 -3.064573310e-01 -3.064573310e-01 4.92 -2.986516593e-01 -2.986516593e-01 4.94 -2.910390876e-01 -2.910390876e-01 4.96 -2.836151675e-01 -2.836151675e-01 4.98 -2.763755340e-01 -2.763755340e-01 5.00 -2.693159057e-01 -2.693159057e-01 5.02 -2.624320837e-01 -2.624320837e-01 5.04 -2.557199515e-01 -2.557199515e-01 5.06 -2.491754739e-01 -2.491754739e-01 5.08 -2.427946965e-01 -2.427946965e-01 5.10 -2.365737450e-01 -2.365737450e-01 5.12 -2.305088241e-01 -2.305088241e-01 5.14 -2.245962170e-01 -2.245962170e-01 5.16 -2.188322841e-01 -2.188322841e-01 5.18 -2.132134622e-01 -2.132134622e-01 5.20 -2.077362636e-01 -2.077362636e-01 5.22 -2.023972750e-01 -2.023972750e-01 5.24 -1.971931566e-01 -1.971931566e-01 5.26 -1.921206406e-01 -1.921206406e-01 5.28 -1.871765306e-01 -1.871765306e-01 5.30 -1.823577006e-01 -1.823577006e-01 5.32 -1.776610931e-01 -1.776610931e-01 5.34 -1.730837190e-01 -1.730837190e-01 5.36 -1.686226557e-01 -1.686226557e-01 5.38 -1.642750465e-01 -1.642750465e-01 5.40 -1.600380990e-01 -1.600380990e-01 5.42 -1.559090843e-01 -1.559090843e-01 5.44 -1.518853359e-01 -1.518853359e-01 5.46 -1.172285707e-01 -1.172285707e-01 5.48 -1.143043559e-01 -1.143043559e-01 5.50 -1.114517531e-01 -1.114517531e-01 5.52 -1.086690792e-01 -1.086690792e-01 5.54 -1.059546868e-01 -1.059546868e-01 5.56 -1.033069637e-01 -1.033069637e-01 5.58 -1.007243324e-01 -1.007243324e-01 5.60 -9.820524986e-02 -9.820524986e-02 5.62 -9.574820620e-02 -9.574820620e-02 5.64 -9.335172475e-02 -9.335172475e-02 5.66 -9.101436128e-02 -9.101436128e-02 5.68 -8.873470341e-02 -8.873470341e-02 5.70 -8.651137008e-02 -8.651137008e-02 5.72 -8.434301097e-02 -8.434301097e-02 5.74 -8.222830597e-02 -8.222830597e-02 5.76 -8.016596459e-02 -8.016596459e-02 5.78 -7.815472541e-02 -7.815472541e-02 5.80 -7.619335555e-02 -7.619335555e-02 5.82 -7.428065011e-02 -7.428065011e-02 5.84 -7.241543164e-02 -7.241543164e-02 5.86 -7.059654958e-02 -7.059654958e-02 5.88 -6.882287975e-02 -6.882287975e-02 5.90 -6.709332383e-02 -6.709332383e-02 5.92 -6.540680884e-02 -6.540680884e-02 5.94 -6.376228660e-02 -6.376228660e-02 5.96 -6.215873325e-02 -6.215873325e-02 5.98 -6.059514875e-02 -6.059514875e-02 6.00 -5.907055640e-02 -5.907055640e-02