# 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 = Al2CrFe # 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 2.378092896e+02 2.378092896e+02 1.10 2.200592528e+02 2.200592528e+02 1.12 2.032842343e+02 2.032842343e+02 1.14 1.877099023e+02 1.877099023e+02 1.16 1.736261082e+02 1.736261082e+02 1.18 1.605278000e+02 1.605278000e+02 1.20 1.490063759e+02 1.490063759e+02 1.22 1.378024575e+02 1.378024575e+02 1.24 1.273040022e+02 1.273040022e+02 1.26 1.178674191e+02 1.178674433e+02 1.28 1.090586085e+02 1.090586085e+02 1.30 1.009307387e+02 1.009307387e+02 1.32 9.319395412e+01 9.319395412e+01 1.34 8.644027984e+01 8.644027984e+01 1.36 7.976314631e+01 7.976314631e+01 1.38 7.361241808e+01 7.361241808e+01 1.40 6.787627614e+01 6.787627614e+01 1.42 6.255797990e+01 6.255797990e+01 1.44 5.799919040e+01 5.799919040e+01 1.46 5.368301433e+01 5.368301433e+01 1.48 4.937006640e+01 4.937006640e+01 1.50 4.536797914e+01 4.536797914e+01 1.52 4.179941381e+01 4.179941381e+01 1.54 3.859800106e+01 3.859800106e+01 1.56 3.535773019e+01 3.535773019e+01 1.58 3.239891276e+01 3.239891276e+01 1.60 2.960146485e+01 2.960146485e+01 1.62 2.700403267e+01 2.700403267e+01 1.64 2.459220475e+01 2.459220475e+01 1.66 2.249365404e+01 2.249365404e+01 1.68 2.053048355e+01 2.053048355e+01 1.70 1.857673289e+01 1.857673289e+01 1.72 1.676332434e+01 1.676332434e+01 1.74 1.522240786e+01 1.522240786e+01 1.76 1.364886867e+01 1.364886867e+01 1.78 1.218926976e+01 1.218926976e+01 1.80 1.083570653e+01 1.083570653e+01 1.82 9.768627597e+00 9.768627597e+00 1.84 8.590600017e+00 8.590600017e+00 1.86 7.759235010e+00 7.759235010e+00 1.88 6.727518797e+00 6.727518797e+00 1.90 5.772880079e+00 5.772880079e+00 1.92 4.890038486e+00 4.890038486e+00 1.94 4.146609618e+00 4.146609618e+00 1.96 3.387477029e+00 3.387477029e+00 1.98 2.686835432e+00 2.686835432e+00 2.00 2.040699403e+00 2.040699403e+00 2.02 1.445357869e+00 1.445357869e+00 2.04 8.973539586e-01 8.973539586e-01 2.06 3.934664584e-01 3.934664584e-01 2.08 -6.930724609e-02 -6.930724609e-02 2.10 -3.774105785e-01 -3.774111586e-01 2.12 -7.107835625e-01 -7.107835625e-01 2.14 -1.078740026e+00 -1.078740026e+00 2.16 -1.414804426e+00 -1.414804426e+00 2.18 -1.721163171e+00 -1.721163171e+00 2.20 -1.999857446e+00 -1.999857446e+00 2.22 -2.252793247e+00 -2.252793247e+00 2.24 -2.336642689e+00 -2.336642689e+00 2.26 -2.552867698e+00 -2.552867698e+00 2.28 -2.747699284e+00 -2.747699284e+00 2.30 -2.922630114e+00 -2.922630114e+00 2.32 -3.079055149e+00 -3.079055149e+00 2.34 -3.218278172e+00 -3.218278172e+00 2.36 -3.341517842e+00 -3.341517842e+00 2.38 -3.449913336e+00 -3.449913336e+00 2.40 -3.544529586e+00 -3.544529586e+00 2.42 -3.626362152e+00 -3.626362152e+00 2.44 -3.545281395e+00 -3.545281395e+00 2.46 -3.613418804e+00 -3.613418804e+00 2.48 -3.670835400e+00 -3.670835400e+00 2.50 -3.718324563e+00 -3.718324563e+00 2.52 -3.624856012e+00 -3.624856012e+00 2.54 -3.662738160e+00 -3.662738160e+00 2.56 -3.692285990e+00 -3.692285990e+00 2.58 -3.714135349e+00 -3.714135349e+00 2.60 -3.728880810e+00 -3.728880810e+00 2.62 -3.737078267e+00 -3.737078267e+00 2.64 -3.739247378e+00 -3.739247378e+00 2.66 -3.735873841e+00 -3.735873841e+00 2.68 -3.727411529e+00 -3.727411529e+00 2.70 -3.714284485e+00 -3.714284485e+00 2.72 -3.696888793e+00 -3.696888793e+00 2.74 -3.638968791e+00 -3.638968791e+00 2.76 -3.616108014e+00 -3.616108014e+00 2.78 -3.589908534e+00 -3.589908534e+00 2.80 -3.560676792e+00 -3.560676792e+00 2.82 -3.528698686e+00 -3.528698686e+00 2.84 -3.494240854e+00 -3.494240854e+00 2.86 -3.457551871e+00 -3.457551871e+00 2.88 -3.418863376e+00 -3.418863376e+00 2.90 -3.378391128e+00 -3.378391128e+00 2.92 -3.336335997e+00 -3.336335997e+00 2.94 -3.292884892e+00 -3.292884892e+00 2.96 -3.248211634e+00 -3.248211634e+00 2.98 -3.202477778e+00 -3.202477778e+00 3.00 -3.155833373e+00 -3.155833373e+00 3.02 -3.108417694e+00 -3.108417694e+00 3.04 -3.060359909e+00 -3.060359909e+00 3.06 -3.011779724e+00 -3.011779724e+00 3.08 -2.962787971e+00 -2.962787971e+00 3.10 -2.913487177e+00 -2.913487177e+00 3.12 -2.863972083e+00 -2.863972083e+00 3.14 -2.814330144e+00 -2.814330144e+00 3.16 -2.715487973e+00 -2.715487973e+00 3.18 -2.668147965e+00 -2.668147965e+00 3.20 -2.620795053e+00 -2.620795053e+00 3.22 -2.573496988e+00 -2.573496988e+00 3.24 -2.526316059e+00 -2.526316059e+00 3.26 -2.479309439e+00 -2.479309439e+00 3.28 -2.432529517e+00 -2.432529517e+00 3.30 -2.250419117e+00 -2.250419117e+00 3.32 -2.210597225e+00 -2.210597225e+00 3.34 -2.170836752e+00 -2.170836752e+00 3.36 -2.131187483e+00 -2.131187483e+00 3.38 -2.091695179e+00 -2.091695179e+00 3.40 -2.052401821e+00 -2.052401821e+00 3.42 -2.013345853e+00 -2.013345853e+00 3.44 -1.974562403e+00 -1.974562403e+00 3.46 -1.936083492e+00 -1.936083492e+00 3.48 -1.897938234e+00 -1.897938234e+00 3.50 -1.860153024e+00 -1.860153024e+00 3.52 -1.822751709e+00 -1.822751709e+00 3.54 -1.785755758e+00 -1.785755758e+00 3.56 -1.749184417e+00 -1.749184417e+00 3.58 -1.713054852e+00 -1.713054852e+00 3.60 -1.677382294e+00 -1.677382294e+00 3.62 -1.642180161e+00 -1.642180161e+00 3.64 -1.607460187e+00 -1.607460187e+00 3.66 -1.573232534e+00 -1.573232534e+00 3.68 -1.539505900e+00 -1.539505900e+00 3.70 -1.506287621e+00 -1.506287621e+00 3.72 -1.473583769e+00 -1.473583769e+00 3.74 -1.441399239e+00 -1.441399239e+00 3.76 -1.409737835e+00 -1.409737835e+00 3.78 -1.378602349e+00 -1.378602349e+00 3.80 -1.347994637e+00 -1.347994637e+00 3.82 -1.317915688e+00 -1.317915688e+00 3.84 -1.288365691e+00 -1.288365691e+00 3.86 -1.183902100e+00 -1.183902100e+00 3.88 -1.158325178e+00 -1.158325178e+00 3.90 -1.133161107e+00 -1.133161107e+00 3.92 -1.108411737e+00 -1.108411737e+00 3.94 -1.084078236e+00 -1.084078236e+00 3.96 -1.060161134e+00 -1.060161134e+00 3.98 -1.036660376e+00 -1.036660376e+00 4.00 -1.013575359e+00 -1.013575359e+00 4.02 -9.909049841e-01 -9.909049841e-01 4.04 -9.686476866e-01 -9.686476866e-01 4.06 -9.468014784e-01 -9.468014784e-01 4.08 -9.253639809e-01 -9.253639809e-01 4.10 -9.043324581e-01 -9.043324581e-01 4.12 -8.837038469e-01 -8.837038469e-01 4.14 -8.634747862e-01 -8.634747862e-01 4.16 -8.436416439e-01 -8.436416439e-01 4.18 -8.242005418e-01 -8.242005418e-01 4.20 -8.051473798e-01 -8.051473798e-01 4.22 -7.864778578e-01 -7.864778578e-01 4.24 -7.681874963e-01 -7.681874963e-01 4.26 -7.502716564e-01 -7.502716564e-01 4.28 -7.327255576e-01 -7.327255576e-01 4.30 -7.155442947e-01 -7.155442947e-01 4.32 -6.987228540e-01 -6.987228540e-01 4.34 -6.822561277e-01 -6.822561277e-01 4.36 -6.661389283e-01 -6.661389283e-01 4.38 -6.503660008e-01 -6.503660008e-01 4.40 -6.349320353e-01 -6.349320353e-01 4.42 -6.198316775e-01 -6.198316775e-01 4.44 -6.050595399e-01 -6.050595399e-01 4.46 -5.906102106e-01 -5.906102106e-01 4.48 -5.764782627e-01 -5.764782627e-01 4.50 -5.626582626e-01 -5.626582626e-01 4.52 -5.491447773e-01 -5.491447773e-01 4.54 -5.359323821e-01 -5.359323821e-01 4.56 -5.230156662e-01 -5.230156662e-01 4.58 -5.103892398e-01 -5.103892398e-01 4.60 -4.980477387e-01 -4.980477387e-01 4.62 -4.859858301e-01 -4.859858301e-01 4.64 -4.741982168e-01 -4.741982168e-01 4.66 -4.626796415e-01 -4.626796415e-01 4.68 -4.514248910e-01 -4.514248910e-01 4.70 -4.404287994e-01 -4.404287994e-01 4.72 -4.296862515e-01 -4.296862515e-01 4.74 -4.191921856e-01 -4.191921856e-01 4.76 -4.089415962e-01 -4.089415962e-01 4.78 -3.989295362e-01 -3.989295362e-01 4.80 -3.891511190e-01 -3.891511190e-01 4.82 -3.796015205e-01 -3.796015205e-01 4.84 -3.702759806e-01 -3.702759806e-01 4.86 -3.611698046e-01 -3.611698046e-01 4.88 -3.522783646e-01 -3.522783646e-01 4.90 -3.435971003e-01 -3.435971003e-01 4.92 -3.351215199e-01 -3.351215199e-01 4.94 -3.268472010e-01 -3.268472010e-01 4.96 -3.187697912e-01 -3.187697912e-01 4.98 -3.108850081e-01 -3.108850081e-01 5.00 -3.031886403e-01 -3.031886403e-01 5.02 -2.956765470e-01 -2.956765470e-01 5.04 -2.883446583e-01 -2.883446583e-01 5.06 -2.811889753e-01 -2.811889753e-01 5.08 -2.742055699e-01 -2.742055699e-01 5.10 -2.673905846e-01 -2.673905846e-01 5.12 -2.607402322e-01 -2.607402322e-01 5.14 -2.542507955e-01 -2.542507955e-01 5.16 -2.479186270e-01 -2.479186270e-01 5.18 -2.417401482e-01 -2.417401482e-01 5.20 -2.357118494e-01 -2.357118494e-01 5.22 -2.298302887e-01 -2.298302887e-01 5.24 -2.240920919e-01 -2.240920919e-01 5.26 -2.184939512e-01 -2.184939512e-01 5.28 -2.130326252e-01 -2.130326252e-01 5.30 -2.077049376e-01 -2.077049376e-01 5.32 -2.025077768e-01 -2.025077768e-01 5.34 -1.974380950e-01 -1.974380950e-01 5.36 -1.924929072e-01 -1.924929072e-01 5.38 -1.876692906e-01 -1.876692906e-01 5.40 -1.829643837e-01 -1.829643837e-01 5.42 -1.783753855e-01 -1.783753855e-01 5.44 -1.738995542e-01 -1.738995542e-01 5.46 -1.319790334e-01 -1.319790334e-01 5.48 -1.287553261e-01 -1.287553261e-01 5.50 -1.256085465e-01 -1.256085465e-01 5.52 -1.225369509e-01 -1.225369509e-01 5.54 -1.195388304e-01 -1.195388304e-01 5.56 -1.166125102e-01 -1.166125102e-01 5.58 -1.137563496e-01 -1.137563496e-01 5.60 -1.109687411e-01 -1.109687411e-01 5.62 -1.082481105e-01 -1.082481105e-01 5.64 -1.055929157e-01 -1.055929157e-01 5.66 -1.030016471e-01 -1.030016471e-01 5.68 -1.004728262e-01 -1.004728262e-01 5.70 -9.800500578e-02 -9.800500578e-02 5.72 -9.559676926e-02 -9.559676926e-02 5.74 -9.324673002e-02 -9.324673002e-02 5.76 -9.095353111e-02 -9.095353111e-02 5.78 -8.871584467e-02 -8.871584467e-02 5.80 -8.653237145e-02 -8.653237145e-02 5.82 -8.440184035e-02 -8.440184035e-02 5.84 -8.232300791e-02 -8.232300791e-02 5.86 -8.029465782e-02 -8.029465782e-02 5.88 -7.831560043e-02 -7.831560043e-02 5.90 -7.638467229e-02 -7.638467229e-02 5.92 -7.450073566e-02 -7.450073566e-02 5.94 -7.266267801e-02 -7.266267801e-02 5.96 -7.086941159e-02 -7.086941159e-02 5.98 -6.911987293e-02 -6.911987293e-02 6.00 -6.741302239e-02 -6.741302239e-02