# 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 = CoMn2Ni # 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 2.004051822e+02 2.004051822e+02 1.10 1.846494517e+02 1.846494517e+02 1.12 1.699453460e+02 1.699453460e+02 1.14 1.563708451e+02 1.563708451e+02 1.16 1.440284996e+02 1.440284996e+02 1.18 1.326059606e+02 1.326059606e+02 1.20 1.223814567e+02 1.223814567e+02 1.22 1.126649773e+02 1.126649773e+02 1.24 1.036360738e+02 1.036360738e+02 1.26 9.544590764e+01 9.544590519e+01 1.28 8.785027669e+01 8.785027669e+01 1.30 8.084298655e+01 8.084298655e+01 1.32 7.426887923e+01 7.426887923e+01 1.34 6.840271812e+01 6.840271812e+01 1.36 6.277120710e+01 6.277120710e+01 1.38 5.758548389e+01 5.758548389e+01 1.40 5.277568025e+01 5.277568025e+01 1.42 4.832960061e+01 4.832960061e+01 1.44 4.441511697e+01 4.441511697e+01 1.46 4.073810288e+01 4.073810288e+01 1.48 3.718546126e+01 3.718546126e+01 1.50 3.390038830e+01 3.390038830e+01 1.52 3.093395750e+01 3.093395750e+01 1.54 2.825426630e+01 2.825426630e+01 1.56 2.563428638e+01 2.563428638e+01 1.58 2.323604139e+01 2.323604139e+01 1.60 2.099401268e+01 2.099401268e+01 1.62 1.892147153e+01 1.892147153e+01 1.64 1.700587011e+01 1.700587011e+01 1.66 1.530439625e+01 1.530439625e+01 1.68 1.372985965e+01 1.372985965e+01 1.70 1.220642932e+01 1.220642932e+01 1.72 1.080006093e+01 1.080006093e+01 1.74 9.571355758e+00 9.571355758e+00 1.76 8.367651558e+00 8.367651558e+00 1.78 7.257965203e+00 7.257965203e+00 1.80 6.235502909e+00 6.235502909e+00 1.82 5.386314766e+00 5.386314766e+00 1.84 4.511565095e+00 4.511565095e+00 1.86 3.844216469e+00 3.844216469e+00 1.88 3.093124397e+00 3.093124397e+00 1.90 2.403802802e+00 2.403802802e+00 1.92 1.771793974e+00 1.771793974e+00 1.94 1.228359331e+00 1.228359331e+00 1.96 6.958472771e-01 6.958472771e-01 1.98 2.093679275e-01 2.093679275e-01 2.00 -2.344094585e-01 -2.344094585e-01 2.02 -6.385787491e-01 -6.385787491e-01 2.04 -1.006014588e+00 -1.006014588e+00 2.06 -1.339388621e+00 -1.339388621e+00 2.08 -1.641184424e+00 -1.641184424e+00 2.10 -1.852033913e+00 -1.852033855e+00 2.12 -2.068678395e+00 -2.068678395e+00 2.14 -2.296073370e+00 -2.296073370e+00 2.16 -2.499645394e+00 -2.499645394e+00 2.18 -2.681167012e+00 -2.681167012e+00 2.20 -2.842287353e+00 -2.842287353e+00 2.22 -2.984540868e+00 -2.984540868e+00 2.24 -3.038528955e+00 -3.038528955e+00 2.26 -3.152496619e+00 -3.152496619e+00 2.28 -3.251200871e+00 -3.251200871e+00 2.30 -3.335821167e+00 -3.335821167e+00 2.32 -3.407455063e+00 -3.407455063e+00 2.34 -3.467123881e+00 -3.467123881e+00 2.36 -3.515777958e+00 -3.515777958e+00 2.38 -3.554301530e+00 -3.554301530e+00 2.40 -3.583517254e+00 -3.583517254e+00 2.42 -3.604190418e+00 -3.604190418e+00 2.44 -3.542695085e+00 -3.542695085e+00 2.46 -3.553428017e+00 -3.553428017e+00 2.48 -3.557264781e+00 -3.557264781e+00 2.50 -3.554800728e+00 -3.554800728e+00 2.52 -3.477060154e+00 -3.477060154e+00 2.54 -3.468232744e+00 -3.468232744e+00 2.56 -3.454344791e+00 -3.454344791e+00 2.58 -3.435860301e+00 -3.435860301e+00 2.60 -3.413210267e+00 -3.413210267e+00 2.62 -3.386794884e+00 -3.386794884e+00 2.64 -3.356985612e+00 -3.356985612e+00 2.66 -3.324127099e+00 -3.324127099e+00 2.68 -3.288538976e+00 -3.288538976e+00 2.70 -3.250517535e+00 -3.250517535e+00 2.72 -3.210337290e+00 -3.210337290e+00 2.74 -3.150353444e+00 -3.150353444e+00 2.76 -3.107692841e+00 -3.107692841e+00 2.78 -3.063513876e+00 -3.063513876e+00 2.80 -3.018021650e+00 -3.018021650e+00 2.82 -2.971405646e+00 -2.971405646e+00 2.84 -2.923840777e+00 -2.923840777e+00 2.86 -2.875488373e+00 -2.875488373e+00 2.88 -2.826497097e+00 -2.826497097e+00 2.90 -2.777003802e+00 -2.777003802e+00 2.92 -2.727134334e+00 -2.727134334e+00 2.94 -2.677004282e+00 -2.677004282e+00 2.96 -2.626719677e+00 -2.626719677e+00 2.98 -2.576377647e+00 -2.576377647e+00 3.00 -2.526067031e+00 -2.526067031e+00 3.02 -2.475868949e+00 -2.475868949e+00 3.04 -2.425857335e+00 -2.425857335e+00 3.06 -2.376099443e+00 -2.376099443e+00 3.08 -2.326656307e+00 -2.326656307e+00 3.10 -2.277583183e+00 -2.277583183e+00 3.12 -2.228929955e+00 -2.228929955e+00 3.14 -2.180741517e+00 -2.180741517e+00 3.16 -2.108944353e+00 -2.108944353e+00 3.18 -2.063083310e+00 -2.063083310e+00 3.20 -2.017727419e+00 -2.017727419e+00 3.22 -1.972908518e+00 -1.972908518e+00 3.24 -1.928654831e+00 -1.928654831e+00 3.26 -1.884991236e+00 -1.884991236e+00 3.28 -1.841939510e+00 -1.841939510e+00 3.30 -1.727787582e+00 -1.727787582e+00 3.32 -1.689666932e+00 -1.689666932e+00 3.34 -1.652021748e+00 -1.652021748e+00 3.36 -1.614872887e+00 -1.614872887e+00 3.38 -1.578238647e+00 -1.578238647e+00 3.40 -1.542134956e+00 -1.542134956e+00 3.42 -1.506575548e+00 -1.506575548e+00 3.44 -1.471572121e+00 -1.471572121e+00 3.46 -1.437134491e+00 -1.437134491e+00 3.48 -1.403270738e+00 -1.403270738e+00 3.50 -1.369987332e+00 -1.369987332e+00 3.52 -1.337289267e+00 -1.337289267e+00 3.54 -1.305180167e+00 -1.305180167e+00 3.56 -1.273662404e+00 -1.273662404e+00 3.58 -1.242737195e+00 -1.242737195e+00 3.60 -1.212404698e+00 -1.212404698e+00 3.62 -1.182664101e+00 -1.182664101e+00 3.64 -1.153513703e+00 -1.153513703e+00 3.66 -1.124950997e+00 -1.124950997e+00 3.68 -1.096972733e+00 -1.096972733e+00 3.70 -1.069574994e+00 -1.069574994e+00 3.72 -1.042753254e+00 -1.042753254e+00 3.74 -1.016502436e+00 -1.016502436e+00 3.76 -9.908169693e-01 -9.908169693e-01 3.78 -9.656908379e-01 -9.656908379e-01 3.80 -9.411176279e-01 -9.411176279e-01 3.82 -9.170905714e-01 -9.170905714e-01 3.84 -8.936025874e-01 -8.936025874e-01 3.86 -8.336359738e-01 -8.336359738e-01 3.88 -8.128172100e-01 -8.128172100e-01 3.90 -7.924447051e-01 -7.924447051e-01 3.92 -7.725134932e-01 -7.725134932e-01 3.94 -7.530183299e-01 -7.530183299e-01 3.96 -7.339537240e-01 -7.339537240e-01 3.98 -7.153139654e-01 -7.153139654e-01 4.00 -6.970931526e-01 -6.970931526e-01 4.02 -6.792852174e-01 -6.792852174e-01 4.04 -6.618839476e-01 -6.618839476e-01 4.06 -6.448830092e-01 -6.448830092e-01 4.08 -6.282759655e-01 -6.282759655e-01 4.10 -6.120562961e-01 -6.120562961e-01 4.12 -5.962174133e-01 -5.962174133e-01 4.14 -5.807526786e-01 -5.807526786e-01 4.16 -5.656554165e-01 -5.656554165e-01 4.18 -5.509189283e-01 -5.509189283e-01 4.20 -5.365365041e-01 -5.365365041e-01 4.22 -5.225014346e-01 -5.225014346e-01 4.24 -5.088070209e-01 -5.088070209e-01 4.26 -4.954465846e-01 -4.954465846e-01 4.28 -4.824134760e-01 -4.824134760e-01 4.30 -4.697010826e-01 -4.697010826e-01 4.32 -4.573028358e-01 -4.573028358e-01 4.34 -4.452122179e-01 -4.452122179e-01 4.36 -4.334227677e-01 -4.334227677e-01 4.38 -4.219280863e-01 -4.219280863e-01 4.40 -4.107218416e-01 -4.107218416e-01 4.42 -3.997977729e-01 -3.997977729e-01 4.44 -3.891496944e-01 -3.891496944e-01 4.46 -3.787714993e-01 -3.787714993e-01 4.48 -3.686571621e-01 -3.686571621e-01 4.50 -3.588007417e-01 -3.588007417e-01 4.52 -3.491963838e-01 -3.491963838e-01 4.54 -3.398383226e-01 -3.398383226e-01 4.56 -3.307208825e-01 -3.307208825e-01 4.58 -3.218384797e-01 -3.218384797e-01 4.60 -3.131856234e-01 -3.131856234e-01 4.62 -3.047569164e-01 -3.047569164e-01 4.64 -2.965470560e-01 -2.965470560e-01 4.66 -2.885508347e-01 -2.885508347e-01 4.68 -2.807631400e-01 -2.807631400e-01 4.70 -2.731789550e-01 -2.731789550e-01 4.72 -2.657933579e-01 -2.657933579e-01 4.74 -2.586015225e-01 -2.586015225e-01 4.76 -2.515987171e-01 -2.515987171e-01 4.78 -2.447803048e-01 -2.447803048e-01 4.80 -2.381417423e-01 -2.381417423e-01 4.82 -2.316785799e-01 -2.316785799e-01 4.84 -2.253864601e-01 -2.253864601e-01 4.86 -2.192611175e-01 -2.192611175e-01 4.88 -2.132983772e-01 -2.132983772e-01 4.90 -2.074941544e-01 -2.074941544e-01 4.92 -2.018444530e-01 -2.018444530e-01 4.94 -1.963453646e-01 -1.963453646e-01 4.96 -1.909930677e-01 -1.909930677e-01 4.98 -1.857838260e-01 -1.857838260e-01 5.00 -1.807139878e-01 -1.807139878e-01 5.02 -1.757799841e-01 -1.757799841e-01 5.04 -1.709783277e-01 -1.709783277e-01 5.06 -1.663056122e-01 -1.663056122e-01 5.08 -1.617585101e-01 -1.617585101e-01 5.10 -1.573337718e-01 -1.573337718e-01 5.12 -1.530282241e-01 -1.530282241e-01 5.14 -1.488387694e-01 -1.488387694e-01 5.16 -1.447623833e-01 -1.447623833e-01 5.18 -1.407961145e-01 -1.407961145e-01 5.20 -1.369370823e-01 -1.369370823e-01 5.22 -1.331824760e-01 -1.331824760e-01 5.24 -1.295295533e-01 -1.295295533e-01 5.26 -1.259756389e-01 -1.259756389e-01 5.28 -1.225181233e-01 -1.225181233e-01 5.30 -1.191544611e-01 -1.191544611e-01 5.32 -1.158821703e-01 -1.158821703e-01 5.34 -1.126988304e-01 -1.126988304e-01 5.36 -1.096020815e-01 -1.096020815e-01 5.38 -1.065896227e-01 -1.065896227e-01 5.40 -1.036592110e-01 -1.036592110e-01 5.42 -1.008086602e-01 -1.008086602e-01 5.44 -9.803583910e-02 -9.803583910e-02 5.46 -7.687083540e-02 -7.687083540e-02 5.48 -7.482031663e-02 -7.482031663e-02 5.50 -7.282374745e-02 -7.282374745e-02 5.52 -7.087974891e-02 -7.087974891e-02 5.54 -6.898697504e-02 -6.898697504e-02 5.56 -6.714411227e-02 -6.714411227e-02 5.58 -6.534987873e-02 -6.534987873e-02 5.60 -6.360302357e-02 -6.360302357e-02 5.62 -6.190232637e-02 -6.190232637e-02 5.64 -6.024659647e-02 -6.024659647e-02 5.66 -5.863467233e-02 -5.863467233e-02 5.68 -5.706542093e-02 -5.706542093e-02 5.70 -5.553773712e-02 -5.553773712e-02 5.72 -5.405054305e-02 -5.405054305e-02 5.74 -5.260278756e-02 -5.260278756e-02 5.76 -5.119344556e-02 -5.119344556e-02 5.78 -4.982151750e-02 -4.982151750e-02 5.80 -4.848602874e-02 -4.848602874e-02 5.82 -4.718602904e-02 -4.718602904e-02 5.84 -4.592059199e-02 -4.592059199e-02 5.86 -4.468881442e-02 -4.468881442e-02 5.88 -4.348981595e-02 -4.348981595e-02 5.90 -4.232273840e-02 -4.232273840e-02 5.92 -4.118674528e-02 -4.118674528e-02 5.94 -4.008102132e-02 -4.008102132e-02 5.96 -3.900477192e-02 -3.900477192e-02 5.98 -3.795722273e-02 -3.795722273e-02 6.00 -3.693761909e-02 -3.693761909e-02