# 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 = AlCr2Fe # 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 2.496027797e+02 2.496027797e+02 1.10 2.304595451e+02 2.304595451e+02 1.12 2.125219090e+02 2.125219090e+02 1.14 1.959239250e+02 1.959239250e+02 1.16 1.808541296e+02 1.808541296e+02 1.18 1.668840866e+02 1.668840866e+02 1.20 1.544387902e+02 1.544387902e+02 1.22 1.425264772e+02 1.425264772e+02 1.24 1.314197696e+02 1.314197696e+02 1.26 1.213689602e+02 1.213689056e+02 1.28 1.120254930e+02 1.120254930e+02 1.30 1.034063328e+02 1.034063328e+02 1.32 9.527366706e+01 9.527366706e+01 1.34 8.806148823e+01 8.806148823e+01 1.36 8.107138412e+01 8.107138412e+01 1.38 7.463118436e+01 7.463118436e+01 1.40 6.864314736e+01 6.864314736e+01 1.42 6.309929734e+01 6.309929734e+01 1.44 5.825620297e+01 5.825620297e+01 1.46 5.369953600e+01 5.369953600e+01 1.48 4.923985815e+01 4.923985815e+01 1.50 4.510845116e+01 4.510845116e+01 1.52 4.138866744e+01 4.138866744e+01 1.54 3.803385351e+01 3.803385351e+01 1.56 3.471538157e+01 3.471538157e+01 1.58 3.167854712e+01 3.167854712e+01 1.60 2.882566140e+01 2.882566140e+01 1.62 2.618219312e+01 2.618219312e+01 1.64 2.373285360e+01 2.373285360e+01 1.66 2.156776494e+01 2.156776494e+01 1.68 1.955603674e+01 1.955603674e+01 1.70 1.759041043e+01 1.759041043e+01 1.72 1.577047540e+01 1.577047540e+01 1.74 1.419509766e+01 1.419509766e+01 1.76 1.262643270e+01 1.262643270e+01 1.78 1.117537140e+01 1.117537140e+01 1.80 9.833589443e+00 9.833589443e+00 1.82 8.732825734e+00 8.732825734e+00 1.84 7.575074689e+00 7.575074689e+00 1.86 6.708799982e+00 6.708799982e+00 1.88 5.705059374e+00 5.705059374e+00 1.90 4.779591361e+00 4.779591361e+00 1.92 3.926894182e+00 3.926894182e+00 1.94 3.197727263e+00 3.197727263e+00 1.96 2.471163433e+00 2.471163433e+00 1.98 1.803455479e+00 1.803455479e+00 2.00 1.190473156e+00 1.190473156e+00 2.02 6.283752082e-01 6.283752082e-01 2.04 1.135880014e-01 1.135880014e-01 2.06 -3.572141334e-01 -3.572141334e-01 2.08 -7.871269877e-01 -7.871269877e-01 2.10 -1.088010475e+00 -1.088009165e+00 2.12 -1.401725530e+00 -1.401725530e+00 2.14 -1.735628758e+00 -1.735628758e+00 2.16 -2.038276267e+00 -2.038276267e+00 2.18 -2.311897083e+00 -2.311897083e+00 2.20 -2.558568595e+00 -2.558568595e+00 2.22 -2.780227155e+00 -2.780227155e+00 2.24 -2.866892354e+00 -2.866892354e+00 2.26 -3.051558158e+00 -3.051558158e+00 2.28 -3.215731857e+00 -3.215731857e+00 2.30 -3.360913866e+00 -3.360913866e+00 2.32 -3.488503405e+00 -3.488503405e+00 2.34 -3.599805375e+00 -3.599805375e+00 2.36 -3.696036748e+00 -3.696036748e+00 2.38 -3.778332499e+00 -3.778332499e+00 2.40 -3.847751118e+00 -3.847751118e+00 2.42 -3.905279741e+00 -3.905279741e+00 2.44 -3.839610964e+00 -3.839610964e+00 2.46 -3.883312510e+00 -3.883312510e+00 2.48 -3.917235692e+00 -3.917235692e+00 2.50 -3.942156632e+00 -3.942156632e+00 2.52 -3.855961156e+00 -3.855961156e+00 2.54 -3.871573127e+00 -3.871573127e+00 2.56 -3.879791411e+00 -3.879791411e+00 2.58 -3.881228434e+00 -3.881228434e+00 2.60 -3.876454982e+00 -3.876454982e+00 2.62 -3.866002915e+00 -3.866002915e+00 2.64 -3.850367699e+00 -3.850367699e+00 2.66 -3.830010770e+00 -3.830010770e+00 2.68 -3.805361750e+00 -3.805361750e+00 2.70 -3.776820509e+00 -3.776820509e+00 2.72 -3.744759099e+00 -3.744759099e+00 2.74 -3.681295079e+00 -3.681295079e+00 2.76 -3.644813421e+00 -3.644813421e+00 2.78 -3.605686812e+00 -3.605686812e+00 2.80 -3.564198145e+00 -3.564198145e+00 2.82 -3.520610139e+00 -3.520610139e+00 2.84 -3.475166646e+00 -3.475166646e+00 2.86 -3.428093880e+00 -3.428093880e+00 2.88 -3.379601561e+00 -3.379601561e+00 2.90 -3.329883986e+00 -3.329883986e+00 2.92 -3.279121039e+00 -3.279121039e+00 2.94 -3.227479130e+00 -3.227479130e+00 2.96 -3.175112075e+00 -3.175112075e+00 2.98 -3.122161924e+00 -3.122161924e+00 3.00 -3.068759732e+00 -3.068759732e+00 3.02 -3.015026284e+00 -3.015026284e+00 3.04 -2.961072773e+00 -2.961072773e+00 3.06 -2.907001433e+00 -2.907001433e+00 3.08 -2.852906140e+00 -2.852906140e+00 3.10 -2.798872962e+00 -2.798872962e+00 3.12 -2.744980687e+00 -2.744980687e+00 3.14 -2.691301308e+00 -2.691301308e+00 3.16 -2.601444247e+00 -2.601444247e+00 3.18 -2.550220594e+00 -2.550220594e+00 3.20 -2.499296968e+00 -2.499296968e+00 3.22 -2.448727111e+00 -2.448727111e+00 3.24 -2.398559769e+00 -2.398559769e+00 3.26 -2.348839023e+00 -2.348839023e+00 3.28 -2.299604619e+00 -2.299604619e+00 3.30 -2.144925578e+00 -2.144925578e+00 3.32 -2.101960748e+00 -2.101960748e+00 3.34 -2.059324902e+00 -2.059324902e+00 3.36 -2.017055491e+00 -2.017055491e+00 3.38 -1.975186363e+00 -1.975186363e+00 3.40 -1.933748012e+00 -1.933748012e+00 3.42 -1.892767802e+00 -1.892767802e+00 3.44 -1.852270182e+00 -1.852270182e+00 3.46 -1.812276884e+00 -1.812276884e+00 3.48 -1.772807115e+00 -1.772807115e+00 3.50 -1.733877734e+00 -1.733877734e+00 3.52 -1.695503415e+00 -1.695503415e+00 3.54 -1.657696803e+00 -1.657696803e+00 3.56 -1.620468663e+00 -1.620468663e+00 3.58 -1.583828014e+00 -1.583828014e+00 3.60 -1.547782259e+00 -1.547782259e+00 3.62 -1.512337305e+00 -1.512337305e+00 3.64 -1.477497675e+00 -1.477497675e+00 3.66 -1.443266614e+00 -1.443266614e+00 3.68 -1.409646188e+00 -1.409646188e+00 3.70 -1.376637378e+00 -1.376637378e+00 3.72 -1.344240165e+00 -1.344240165e+00 3.74 -1.312453613e+00 -1.312453613e+00 3.76 -1.281275941e+00 -1.281275941e+00 3.78 -1.250704600e+00 -1.250704600e+00 3.80 -1.220736336e+00 -1.220736336e+00 3.82 -1.191367250e+00 -1.191367250e+00 3.84 -1.162592862e+00 -1.162592862e+00 3.86 -1.076176079e+00 -1.076176079e+00 3.88 -1.050938746e+00 -1.050938746e+00 3.90 -1.026183700e+00 -1.026183700e+00 3.92 -1.001908504e+00 -1.001908504e+00 3.94 -9.781102225e-01 -9.781102225e-01 3.96 -9.547854616e-01 -9.547854616e-01 3.98 -9.319304112e-01 -9.319304112e-01 4.00 -9.095408835e-01 -9.095408835e-01 4.02 -8.876123495e-01 -8.876123495e-01 4.04 -8.661399719e-01 -8.661399719e-01 4.06 -8.451186369e-01 -8.451186369e-01 4.08 -8.245429837e-01 -8.245429837e-01 4.10 -8.044074315e-01 -8.044074315e-01 4.12 -7.847062052e-01 -7.847062052e-01 4.14 -7.654333593e-01 -7.654333593e-01 4.16 -7.465827996e-01 -7.465827996e-01 4.18 -7.281483044e-01 -7.281483044e-01 4.20 -7.101235432e-01 -7.101235432e-01 4.22 -6.925020943e-01 -6.925020943e-01 4.24 -6.752774621e-01 -6.752774621e-01 4.26 -6.584430914e-01 -6.584430914e-01 4.28 -6.419923825e-01 -6.419923825e-01 4.30 -6.259187035e-01 -6.259187035e-01 4.32 -6.102154031e-01 -6.102154031e-01 4.34 -5.948758212e-01 -5.948758212e-01 4.36 -5.798932996e-01 -5.798932996e-01 4.38 -5.652611916e-01 -5.652611916e-01 4.40 -5.509728702e-01 -5.509728702e-01 4.42 -5.370217364e-01 -5.370217364e-01 4.44 -5.234012269e-01 -5.234012269e-01 4.46 -5.101048200e-01 -5.101048200e-01 4.48 -4.971260424e-01 -4.971260424e-01 4.50 -4.844584744e-01 -4.844584744e-01 4.52 -4.720957550e-01 -4.720957550e-01 4.54 -4.600315864e-01 -4.600315864e-01 4.56 -4.482597384e-01 -4.482597384e-01 4.58 -4.367740516e-01 -4.367740516e-01 4.60 -4.255684410e-01 -4.255684410e-01 4.62 -4.146368988e-01 -4.146368988e-01 4.64 -4.039734971e-01 -4.039734971e-01 4.66 -3.935723899e-01 -3.935723899e-01 4.68 -3.834278153e-01 -3.834278153e-01 4.70 -3.735340972e-01 -3.735340972e-01 4.72 -3.638856463e-01 -3.638856463e-01 4.74 -3.544769619e-01 -3.544769619e-01 4.76 -3.453026323e-01 -3.453026323e-01 4.78 -3.363573361e-01 -3.363573361e-01 4.80 -3.276358421e-01 -3.276358421e-01 4.82 -3.191330103e-01 -3.191330103e-01 4.84 -3.108437920e-01 -3.108437920e-01 4.86 -3.027632294e-01 -3.027632294e-01 4.88 -2.948864563e-01 -2.948864563e-01 4.90 -2.872086972e-01 -2.872086972e-01 4.92 -2.797252674e-01 -2.797252674e-01 4.94 -2.724315728e-01 -2.724315728e-01 4.96 -2.653231086e-01 -2.653231086e-01 4.98 -2.583954596e-01 -2.583954596e-01 5.00 -2.516442989e-01 -2.516442989e-01 5.02 -2.450653874e-01 -2.450653874e-01 5.04 -2.386545729e-01 -2.386545729e-01 5.06 -2.324077894e-01 -2.324077894e-01 5.08 -2.263210559e-01 -2.263210559e-01 5.10 -2.203904755e-01 -2.203904755e-01 5.12 -2.146122345e-01 -2.146122345e-01 5.14 -2.089826012e-01 -2.089826012e-01 5.16 -2.034979248e-01 -2.034979248e-01 5.18 -1.981546343e-01 -1.981546343e-01 5.20 -1.929492375e-01 -1.929492375e-01 5.22 -1.878783193e-01 -1.878783193e-01 5.24 -1.829385413e-01 -1.829385413e-01 5.26 -1.781266398e-01 -1.781266398e-01 5.28 -1.734394251e-01 -1.734394251e-01 5.30 -1.688737801e-01 -1.688737801e-01 5.32 -1.644266590e-01 -1.644266590e-01 5.34 -1.600950861e-01 -1.600950861e-01 5.36 -1.558761544e-01 -1.558761544e-01 5.38 -1.517670248e-01 -1.517670248e-01 5.40 -1.477649244e-01 -1.477649244e-01 5.42 -1.438671452e-01 -1.438671452e-01 5.44 -1.400710434e-01 -1.400710434e-01 5.46 -1.084839621e-01 -1.084839621e-01 5.48 -1.057045417e-01 -1.057045417e-01 5.50 -1.029951335e-01 -1.029951335e-01 5.52 -1.003540385e-01 -1.003540385e-01 5.54 -9.777959536e-02 -9.777959536e-02 5.56 -9.527017980e-02 -9.527017980e-02 5.58 -9.282420409e-02 -9.282420409e-02 5.60 -9.044011629e-02 -9.044011629e-02 5.62 -8.811639962e-02 -8.811639962e-02 5.64 -8.585157184e-02 -8.585157184e-02 5.66 -8.364418458e-02 -8.364418458e-02 5.68 -8.149282275e-02 -8.149282275e-02 5.70 -7.939610387e-02 -7.939610387e-02 5.72 -7.735267742e-02 -7.735267742e-02 5.74 -7.536122429e-02 -7.536122429e-02 5.76 -7.342045610e-02 -7.342045610e-02 5.78 -7.152911460e-02 -7.152911460e-02 5.80 -6.968597106e-02 -6.968597106e-02 5.82 -6.788982572e-02 -6.788982572e-02 5.84 -6.613950712e-02 -6.613950712e-02 5.86 -6.443387155e-02 -6.443387155e-02 5.88 -6.277180250e-02 -6.277180250e-02 5.90 -6.115221004e-02 -6.115221004e-02 5.92 -5.957403027e-02 -5.957403027e-02 5.94 -5.803622480e-02 -5.803622480e-02 5.96 -5.653778015e-02 -5.653778015e-02 5.98 -5.507770724e-02 -5.507770724e-02 6.00 -5.365504087e-02 -5.365504087e-02