# 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 = AlCo2Ni # 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 2.221878375e+02 2.221878375e+02 1.10 2.050756216e+02 2.050756216e+02 1.12 1.889993458e+02 1.889993458e+02 1.14 1.741143847e+02 1.741143847e+02 1.16 1.606237119e+02 1.606237119e+02 1.18 1.481071552e+02 1.481071552e+02 1.20 1.370096582e+02 1.370096582e+02 1.22 1.263343779e+02 1.263343779e+02 1.24 1.163709998e+02 1.163709998e+02 1.26 1.073799617e+02 1.073798967e+02 1.28 9.901526894e+01 9.901526894e+01 1.30 9.130038875e+01 9.130038875e+01 1.32 8.400602331e+01 8.400602331e+01 1.34 7.757560586e+01 7.757560586e+01 1.36 7.130548419e+01 7.130548419e+01 1.38 6.553320863e+01 6.553320863e+01 1.40 6.016532977e+01 6.016532977e+01 1.42 5.519746147e+01 5.519746147e+01 1.44 5.089205292e+01 5.089205292e+01 1.46 4.683195090e+01 4.683195090e+01 1.48 4.283509439e+01 4.283509439e+01 1.50 3.913424669e+01 3.913424669e+01 1.52 3.581730806e+01 3.581730806e+01 1.54 3.283696752e+01 3.283696752e+01 1.56 2.986571316e+01 2.986571316e+01 1.58 2.715219040e+01 2.715219040e+01 1.60 2.460076230e+01 2.460076230e+01 1.62 2.223829998e+01 2.223829998e+01 1.64 2.005097592e+01 2.005097592e+01 1.66 1.813232178e+01 1.813232178e+01 1.68 1.634919195e+01 1.634919195e+01 1.70 1.459610663e+01 1.459610663e+01 1.72 1.297453935e+01 1.297453935e+01 1.74 1.158391042e+01 1.158391042e+01 1.76 1.018820790e+01 1.018820790e+01 1.78 8.898665039e+00 8.898665039e+00 1.80 7.707740193e+00 7.707740193e+00 1.82 6.750665893e+00 6.750665893e+00 1.84 5.724324981e+00 5.724324981e+00 1.86 4.982498998e+00 4.982498998e+00 1.88 4.093513816e+00 4.093513816e+00 1.90 3.275289665e+00 3.275289665e+00 1.92 2.522826576e+00 2.522826576e+00 1.94 1.887127523e+00 1.887127523e+00 1.96 1.248174783e+00 1.248174783e+00 1.98 6.623689969e-01 6.623689969e-01 2.00 1.259562634e-01 1.259562634e-01 2.02 -3.645541965e-01 -3.645541965e-01 2.04 -8.124095078e-01 -8.124095078e-01 2.06 -1.220631048e+00 -1.220631048e+00 2.08 -1.592030925e+00 -1.592030925e+00 2.10 -1.837515065e+00 -1.837513506e+00 2.12 -2.099662106e+00 -2.099662106e+00 2.14 -2.385738172e+00 -2.385738172e+00 2.16 -2.643675458e+00 -2.643675458e+00 2.18 -2.875501393e+00 -2.875501393e+00 2.20 -3.083105121e+00 -3.083105121e+00 2.22 -3.268247176e+00 -3.268247176e+00 2.24 -3.321229208e+00 -3.321229208e+00 2.26 -3.473947544e+00 -3.473947544e+00 2.28 -3.608269200e+00 -3.608269200e+00 2.30 -3.725559963e+00 -3.725559963e+00 2.32 -3.827093183e+00 -3.827093183e+00 2.34 -3.914056059e+00 -3.914056059e+00 2.36 -3.987555479e+00 -3.987555479e+00 2.38 -4.048623438e+00 -4.048623438e+00 2.40 -4.098222080e+00 -4.098222080e+00 2.42 -4.137248386e+00 -4.137248386e+00 2.44 -4.052082363e+00 -4.052082363e+00 2.46 -4.079820188e+00 -4.079820188e+00 2.48 -4.098850530e+00 -4.098850530e+00 2.50 -4.109880840e+00 -4.109880840e+00 2.52 -4.009905680e+00 -4.009905680e+00 2.54 -4.013441419e+00 -4.013441419e+00 2.56 -4.010408204e+00 -4.010408204e+00 2.58 -4.001365261e+00 -4.001365261e+00 2.60 -3.986833561e+00 -3.986833561e+00 2.62 -3.967298318e+00 -3.967298318e+00 2.64 -3.943211309e+00 -3.943211309e+00 2.66 -3.914993062e+00 -3.914993062e+00 2.68 -3.883034876e+00 -3.883034876e+00 2.70 -3.847700732e+00 -3.847700732e+00 2.72 -3.809329066e+00 -3.809329066e+00 2.74 -3.740119446e+00 -3.740119446e+00 2.76 -3.698189572e+00 -3.698189572e+00 2.78 -3.654009704e+00 -3.654009704e+00 2.80 -3.607836782e+00 -3.607836782e+00 2.82 -3.559909216e+00 -3.559909216e+00 2.84 -3.510448090e+00 -3.510448090e+00 2.86 -3.459658290e+00 -3.459658290e+00 2.88 -3.407729559e+00 -3.407729559e+00 2.90 -3.354837488e+00 -3.354837488e+00 2.92 -3.301144438e+00 -3.301144438e+00 2.94 -3.246800411e+00 -3.246800411e+00 2.96 -3.191943857e+00 -3.191943857e+00 2.98 -3.136702437e+00 -3.136702437e+00 3.00 -3.081193734e+00 -3.081193734e+00 3.02 -3.025525919e+00 -3.025525919e+00 3.04 -2.969798377e+00 -2.969798377e+00 3.06 -2.914102291e+00 -2.914102291e+00 3.08 -2.858521189e+00 -2.858521189e+00 3.10 -2.803131459e+00 -2.803131459e+00 3.12 -2.748002830e+00 -2.748002830e+00 3.14 -2.693198818e+00 -2.693198818e+00 3.16 -2.601598008e+00 -2.601598008e+00 3.18 -2.549488190e+00 -2.549488190e+00 3.20 -2.497765956e+00 -2.497765956e+00 3.22 -2.446478650e+00 -2.446478650e+00 3.24 -2.395669033e+00 -2.395669033e+00 3.26 -2.345375601e+00 -2.345375601e+00 3.28 -2.295632879e+00 -2.295632879e+00 3.30 -2.139679839e+00 -2.139679839e+00 3.32 -2.096318559e+00 -2.096318559e+00 3.34 -2.053339090e+00 -2.053339090e+00 3.36 -2.010774722e+00 -2.010774722e+00 3.38 -1.968655425e+00 -1.968655425e+00 3.40 -1.927008075e+00 -1.927008075e+00 3.42 -1.885856661e+00 -1.885856661e+00 3.44 -1.845222489e+00 -1.845222489e+00 3.46 -1.805124364e+00 -1.805124364e+00 3.48 -1.765578769e+00 -1.765578769e+00 3.50 -1.726600024e+00 -1.726600024e+00 3.52 -1.688200442e+00 -1.688200442e+00 3.54 -1.650390475e+00 -1.650390475e+00 3.56 -1.613178848e+00 -1.613178848e+00 3.58 -1.576572686e+00 -1.576572686e+00 3.60 -1.540577631e+00 -1.540577631e+00 3.62 -1.505197960e+00 -1.505197960e+00 3.64 -1.470436680e+00 -1.470436680e+00 3.66 -1.436295637e+00 -1.436295637e+00 3.68 -1.402775597e+00 -1.402775597e+00 3.70 -1.369876339e+00 -1.369876339e+00 3.72 -1.337596734e+00 -1.337596734e+00 3.74 -1.305934820e+00 -1.305934820e+00 3.76 -1.274887868e+00 -1.274887868e+00 3.78 -1.244452457e+00 -1.244452457e+00 3.80 -1.214624528e+00 -1.214624528e+00 3.82 -1.185399443e+00 -1.185399443e+00 3.84 -1.156772040e+00 -1.156772040e+00 3.86 -1.070743790e+00 -1.070743790e+00 3.88 -1.045641405e+00 -1.045641405e+00 3.90 -1.021023557e+00 -1.021023557e+00 3.92 -9.968872769e-01 -9.968872769e-01 3.94 -9.732291406e-01 -9.732291406e-01 3.96 -9.500453070e-01 -9.500453070e-01 3.98 -9.273315587e-01 -9.273315587e-01 4.00 -9.050833368e-01 -9.050833368e-01 4.02 -8.832957750e-01 -8.832957750e-01 4.04 -8.619637304e-01 -8.619637304e-01 4.06 -8.410818130e-01 -8.410818130e-01 4.08 -8.206444125e-01 -8.206444125e-01 4.10 -8.006457246e-01 -8.006457246e-01 4.12 -7.810797737e-01 -7.810797737e-01 4.14 -7.619404356e-01 -7.619404356e-01 4.16 -7.432214579e-01 -7.432214579e-01 4.18 -7.249164788e-01 -7.249164788e-01 4.20 -7.070190455e-01 -7.070190455e-01 4.22 -6.895226297e-01 -6.895226297e-01 4.24 -6.724206440e-01 -6.724206440e-01 4.26 -6.557064551e-01 -6.557064551e-01 4.28 -6.393733973e-01 -6.393733973e-01 4.30 -6.234147850e-01 -6.234147850e-01 4.32 -6.078239230e-01 -6.078239230e-01 4.34 -5.925941178e-01 -5.925941178e-01 4.36 -5.777186861e-01 -5.777186861e-01 4.38 -5.631909646e-01 -5.631909646e-01 4.40 -5.490043172e-01 -5.490043172e-01 4.42 -5.351521426e-01 -5.351521426e-01 4.44 -5.216278811e-01 -5.216278811e-01 4.46 -5.084250207e-01 -5.084250207e-01 4.48 -4.955371026e-01 -4.955371026e-01 4.50 -4.829577265e-01 -4.829577265e-01 4.52 -4.706805546e-01 -4.706805546e-01 4.54 -4.586993165e-01 -4.586993165e-01 4.56 -4.470078123e-01 -4.470078123e-01 4.58 -4.355999161e-01 -4.355999161e-01 4.60 -4.244695791e-01 -4.244695791e-01 4.62 -4.136108319e-01 -4.136108319e-01 4.64 -4.030177871e-01 -4.030177871e-01 4.66 -3.926846410e-01 -3.926846410e-01 4.68 -3.826056756e-01 -3.826056756e-01 4.70 -3.727752595e-01 -3.727752595e-01 4.72 -3.631878500e-01 -3.631878500e-01 4.74 -3.538379933e-01 -3.538379933e-01 4.76 -3.447203254e-01 -3.447203254e-01 4.78 -3.358295733e-01 -3.358295733e-01 4.80 -3.271605546e-01 -3.271605546e-01 4.82 -3.187081782e-01 -3.187081782e-01 4.84 -3.104674445e-01 -3.104674445e-01 4.86 -3.024334449e-01 -3.024334449e-01 4.88 -2.946013621e-01 -2.946013621e-01 4.90 -2.869664696e-01 -2.869664696e-01 4.92 -2.795241314e-01 -2.795241314e-01 4.94 -2.722698014e-01 -2.722698014e-01 4.96 -2.651990229e-01 -2.651990229e-01 4.98 -2.583074277e-01 -2.583074277e-01 5.00 -2.515907360e-01 -2.515907360e-01 5.02 -2.450447549e-01 -2.450447549e-01 5.04 -2.386653778e-01 -2.386653778e-01 5.06 -2.324485835e-01 -2.324485835e-01 5.08 -2.263904352e-01 -2.263904352e-01 5.10 -2.204870797e-01 -2.204870797e-01 5.12 -2.147347458e-01 -2.147347458e-01 5.14 -2.091297438e-01 -2.091297438e-01 5.16 -2.036684641e-01 -2.036684641e-01 5.18 -1.983473760e-01 -1.983473760e-01 5.20 -1.931630265e-01 -1.931630265e-01 5.22 -1.881120396e-01 -1.881120396e-01 5.24 -1.831911142e-01 -1.831911142e-01 5.26 -1.783970240e-01 -1.783970240e-01 5.28 -1.737266150e-01 -1.737266150e-01 5.30 -1.691768055e-01 -1.691768055e-01 5.32 -1.647445841e-01 -1.647445841e-01 5.34 -1.604270084e-01 -1.604270084e-01 5.36 -1.562212044e-01 -1.562212044e-01 5.38 -1.521243645e-01 -1.521243645e-01 5.40 -1.481337470e-01 -1.481337470e-01 5.42 -1.442466741e-01 -1.442466741e-01 5.44 -1.404605312e-01 -1.404605312e-01 5.46 -1.083291077e-01 -1.083291077e-01 5.48 -1.055753221e-01 -1.055753221e-01 5.50 -1.028903964e-01 -1.028903964e-01 5.52 -1.002726704e-01 -1.002726704e-01 5.54 -9.772052064e-02 -9.772052064e-02 5.56 -9.523235955e-02 -9.523235955e-02 5.58 -9.280663515e-02 -9.280663515e-02 5.60 -9.044183028e-02 -9.044183028e-02 5.62 -8.813646194e-02 -8.813646194e-02 5.64 -8.588908076e-02 -8.588908076e-02 5.66 -8.369827029e-02 -8.369827029e-02 5.68 -8.156264643e-02 -8.156264643e-02 5.70 -7.948085682e-02 -7.948085682e-02 5.72 -7.745158019e-02 -7.745158019e-02 5.74 -7.547352579e-02 -7.547352579e-02 5.76 -7.354543278e-02 -7.354543278e-02 5.78 -7.166606962e-02 -7.166606962e-02 5.80 -6.983423352e-02 -6.983423352e-02 5.82 -6.804874981e-02 -6.804874981e-02 5.84 -6.630847141e-02 -6.630847141e-02 5.86 -6.461227823e-02 -6.461227823e-02 5.88 -6.295907663e-02 -6.295907663e-02 5.90 -6.134779885e-02 -6.134779885e-02 5.92 -5.977740247e-02 -5.977740247e-02 5.94 -5.824686990e-02 -5.824686990e-02 5.96 -5.675520778e-02 -5.675520778e-02 5.98 -5.530144655e-02 -5.530144655e-02 6.00 -5.388463985e-02 -5.388463985e-02