# 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 = Co2FeMn # 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 2.114769996e+02 2.114769996e+02 1.10 1.948331185e+02 1.948331185e+02 1.12 1.792885105e+02 1.792885105e+02 1.14 1.649351825e+02 1.649351825e+02 1.16 1.518928017e+02 1.518928017e+02 1.18 1.398188222e+02 1.398188222e+02 1.20 1.290256503e+02 1.290256503e+02 1.22 1.187546854e+02 1.187546854e+02 1.24 1.092072452e+02 1.092072452e+02 1.26 1.005533293e+02 1.005533534e+02 1.28 9.252728742e+01 9.252728742e+01 1.30 8.512308874e+01 8.512308874e+01 1.32 7.817166572e+01 7.817166572e+01 1.34 7.197822097e+01 7.197822097e+01 1.36 6.602346563e+01 6.602346563e+01 1.38 6.054144069e+01 6.054144069e+01 1.40 5.545638439e+01 5.545638439e+01 1.42 5.075631024e+01 5.075631024e+01 1.44 4.662962183e+01 4.662962183e+01 1.46 4.274970233e+01 4.274970233e+01 1.48 3.899342877e+01 3.899342877e+01 1.50 3.552048775e+01 3.552048775e+01 1.52 3.238749079e+01 3.238749079e+01 1.54 2.956273740e+01 2.956273740e+01 1.56 2.679303731e+01 2.679303731e+01 1.58 2.425937769e+01 2.425937769e+01 1.60 2.188986879e+01 2.188986879e+01 1.62 1.969986555e+01 1.969986555e+01 1.64 1.767606942e+01 1.767606942e+01 1.66 1.588148175e+01 1.588148175e+01 1.68 1.422230215e+01 1.422230215e+01 1.70 1.261325737e+01 1.261325737e+01 1.72 1.112820988e+01 1.112820988e+01 1.74 9.834754767e+00 9.834754767e+00 1.76 8.564067584e+00 8.564067584e+00 1.78 7.392976471e+00 7.392976471e+00 1.80 6.314279065e+00 6.314279065e+00 1.82 5.422361987e+00 5.422361987e+00 1.84 4.499850618e+00 4.499850618e+00 1.86 3.804390312e+00 3.804390312e+00 1.88 3.012271008e+00 3.012271008e+00 1.90 2.285630669e+00 2.285630669e+00 1.92 1.619739244e+00 1.619739244e+00 1.94 1.049444848e+00 1.049444848e+00 1.96 4.888702146e-01 4.888702146e-01 1.98 -2.291416701e-02 -2.291416701e-02 2.00 -4.894427916e-01 -4.894427916e-01 2.02 -9.139986970e-01 -9.139986970e-01 2.04 -1.299632208e+00 -1.299632208e+00 2.06 -1.649178171e+00 -1.649178171e+00 2.08 -1.965271805e+00 -1.965271805e+00 2.10 -2.181738742e+00 -2.181739319e+00 2.12 -2.406075318e+00 -2.406075318e+00 2.14 -2.643727283e+00 -2.643727283e+00 2.16 -2.856130796e+00 -2.856130796e+00 2.18 -3.045168143e+00 -3.045168143e+00 2.20 -3.212590515e+00 -3.212590515e+00 2.22 -3.360027292e+00 -3.360027292e+00 2.24 -3.410486412e+00 -3.410486412e+00 2.26 -3.528204082e+00 -3.528204082e+00 2.28 -3.629747862e+00 -3.629747862e+00 2.30 -3.716370996e+00 -3.716370996e+00 2.32 -3.789239683e+00 -3.789239683e+00 2.34 -3.849439095e+00 -3.849439095e+00 2.36 -3.897978965e+00 -3.897978965e+00 2.38 -3.935798764e+00 -3.935798764e+00 2.40 -3.963772517e+00 -3.963772517e+00 2.42 -3.982713273e+00 -3.982713273e+00 2.44 -3.912025455e+00 -3.912025455e+00 2.46 -3.920636501e+00 -3.920636501e+00 2.48 -3.921954751e+00 -3.921954751e+00 2.50 -3.916613139e+00 -3.916613139e+00 2.52 -3.827822803e+00 -3.827822803e+00 2.54 -3.816004291e+00 -3.816004291e+00 2.56 -3.798831676e+00 -3.798831676e+00 2.58 -3.776798929e+00 -3.776798929e+00 2.60 -3.750364867e+00 -3.750364867e+00 2.62 -3.719955503e+00 -3.719955503e+00 2.64 -3.685966246e+00 -3.685966246e+00 2.66 -3.648763947e+00 -3.648763947e+00 2.68 -3.608688812e+00 -3.608688812e+00 2.70 -3.566056183e+00 -3.566056183e+00 2.72 -3.521158204e+00 -3.521158204e+00 2.74 -3.454426044e+00 -3.454426044e+00 2.76 -3.406995545e+00 -3.406995545e+00 2.78 -3.357978841e+00 -3.357978841e+00 2.80 -3.307594242e+00 -3.307594242e+00 2.82 -3.256043414e+00 -3.256043414e+00 2.84 -3.203512495e+00 -3.203512495e+00 2.86 -3.150173142e+00 -3.150173142e+00 2.88 -3.096183512e+00 -3.096183512e+00 2.90 -3.041689171e+00 -3.041689171e+00 2.92 -2.986823953e+00 -2.986823953e+00 2.94 -2.931710756e+00 -2.931710756e+00 2.96 -2.876462290e+00 -2.876462290e+00 2.98 -2.821181772e+00 -2.821181772e+00 3.00 -2.765963580e+00 -2.765963580e+00 3.02 -2.710893865e+00 -2.710893865e+00 3.04 -2.656051117e+00 -2.656051117e+00 3.06 -2.601506698e+00 -2.601506698e+00 3.08 -2.547325344e+00 -2.547325344e+00 3.10 -2.493565626e+00 -2.493565626e+00 3.12 -2.440280390e+00 -2.440280390e+00 3.14 -2.387517157e+00 -2.387517157e+00 3.16 -2.308927358e+00 -2.308927358e+00 3.18 -2.258729551e+00 -2.258729551e+00 3.20 -2.209094268e+00 -2.209094268e+00 3.22 -2.160055177e+00 -2.160055177e+00 3.24 -2.111642092e+00 -2.111642092e+00 3.26 -2.063881255e+00 -2.063881255e+00 3.28 -2.016795599e+00 -2.016795599e+00 3.30 -1.890586866e+00 -1.890586866e+00 3.32 -1.848958452e+00 -1.848958452e+00 3.34 -1.807851821e+00 -1.807851821e+00 3.36 -1.767289233e+00 -1.767289233e+00 3.38 -1.727290210e+00 -1.727290210e+00 3.40 -1.687871731e+00 -1.687871731e+00 3.42 -1.649048420e+00 -1.649048420e+00 3.44 -1.610832721e+00 -1.610832721e+00 3.46 -1.573235057e+00 -1.573235057e+00 3.48 -1.536263989e+00 -1.536263989e+00 3.50 -1.499926351e+00 -1.499926351e+00 3.52 -1.464227392e+00 -1.464227392e+00 3.54 -1.429170894e+00 -1.429170894e+00 3.56 -1.394759291e+00 -1.394759291e+00 3.58 -1.360993781e+00 -1.360993781e+00 3.60 -1.327874423e+00 -1.327874423e+00 3.62 -1.295400235e+00 -1.295400235e+00 3.64 -1.263569282e+00 -1.263569282e+00 3.66 -1.232378760e+00 -1.232378760e+00 3.68 -1.201825073e+00 -1.201825073e+00 3.70 -1.171903902e+00 -1.171903902e+00 3.72 -1.142610279e+00 -1.142610279e+00 3.74 -1.113938641e+00 -1.113938641e+00 3.76 -1.085882898e+00 -1.085882898e+00 3.78 -1.058436478e+00 -1.058436478e+00 3.80 -1.031592383e+00 -1.031592383e+00 3.82 -1.005343236e+00 -1.005343236e+00 3.84 -9.796813229e-01 -9.796813229e-01 3.86 -9.135823340e-01 -9.135823340e-01 3.88 -8.908507360e-01 -8.908507360e-01 3.90 -8.686046378e-01 -8.686046378e-01 3.92 -8.468386569e-01 -8.468386569e-01 3.94 -8.255471096e-01 -8.255471096e-01 3.96 -8.047240454e-01 -8.047240454e-01 3.98 -7.843632771e-01 -7.843632771e-01 4.00 -7.644584105e-01 -7.644584105e-01 4.02 -7.450028705e-01 -7.450028705e-01 4.04 -7.259899264e-01 -7.259899264e-01 4.06 -7.074127149e-01 -7.074127149e-01 4.08 -6.892642617e-01 -6.892642617e-01 4.10 -6.715375011e-01 -6.715375011e-01 4.12 -6.542252943e-01 -6.542252943e-01 4.14 -6.373204469e-01 -6.373204469e-01 4.16 -6.208157240e-01 -6.208157240e-01 4.18 -6.047038647e-01 -6.047038647e-01 4.20 -5.889775960e-01 -5.889775960e-01 4.22 -5.736296443e-01 -5.736296443e-01 4.24 -5.586527469e-01 -5.586527469e-01 4.26 -5.440396628e-01 -5.440396628e-01 4.28 -5.297831812e-01 -5.297831812e-01 4.30 -5.158761311e-01 -5.158761311e-01 4.32 -5.023113881e-01 -5.023113881e-01 4.34 -4.890818827e-01 -4.890818827e-01 4.36 -4.761806058e-01 -4.761806058e-01 4.38 -4.636006150e-01 -4.636006150e-01 4.40 -4.513350397e-01 -4.513350397e-01 4.42 -4.393770862e-01 -4.393770862e-01 4.44 -4.277200412e-01 -4.277200412e-01 4.46 -4.163572764e-01 -4.163572764e-01 4.48 -4.052822510e-01 -4.052822510e-01 4.50 -3.944885153e-01 -3.944885153e-01 4.52 -3.839697127e-01 -3.839697127e-01 4.54 -3.737195823e-01 -3.737195823e-01 4.56 -3.637319605e-01 -3.637319605e-01 4.58 -3.540007824e-01 -3.540007824e-01 4.60 -3.445200835e-01 -3.445200835e-01 4.62 -3.352840006e-01 -3.352840006e-01 4.64 -3.262867722e-01 -3.262867722e-01 4.66 -3.175227394e-01 -3.175227394e-01 4.68 -3.089863463e-01 -3.089863463e-01 4.70 -3.006721399e-01 -3.006721399e-01 4.72 -2.925747704e-01 -2.925747704e-01 4.74 -2.846889907e-01 -2.846889907e-01 4.76 -2.770096562e-01 -2.770096562e-01 4.78 -2.695317247e-01 -2.695317247e-01 4.80 -2.622502553e-01 -2.622502553e-01 4.82 -2.551604080e-01 -2.551604080e-01 4.84 -2.482574430e-01 -2.482574430e-01 4.86 -2.415367195e-01 -2.415367195e-01 4.88 -2.349936953e-01 -2.349936953e-01 4.90 -2.286239252e-01 -2.286239252e-01 4.92 -2.224230602e-01 -2.224230602e-01 4.94 -2.163868464e-01 -2.163868464e-01 4.96 -2.105111236e-01 -2.105111236e-01 4.98 -2.047918243e-01 -2.047918243e-01 5.00 -1.992249722e-01 -1.992249722e-01 5.02 -1.938066809e-01 -1.938066809e-01 5.04 -1.885331526e-01 -1.885331526e-01 5.06 -1.834006767e-01 -1.834006767e-01 5.08 -1.784056286e-01 -1.784056286e-01 5.10 -1.735444679e-01 -1.735444679e-01 5.12 -1.688137372e-01 -1.688137372e-01 5.14 -1.642100605e-01 -1.642100605e-01 5.16 -1.597301421e-01 -1.597301421e-01 5.18 -1.553707647e-01 -1.553707647e-01 5.20 -1.511287881e-01 -1.511287881e-01 5.22 -1.470011481e-01 -1.470011481e-01 5.24 -1.429848543e-01 -1.429848543e-01 5.26 -1.390769893e-01 -1.390769893e-01 5.28 -1.352747070e-01 -1.352747070e-01 5.30 -1.315752312e-01 -1.315752312e-01 5.32 -1.279758541e-01 -1.279758541e-01 5.34 -1.244739350e-01 -1.244739350e-01 5.36 -1.210668986e-01 -1.210668986e-01 5.38 -1.177522342e-01 -1.177522342e-01 5.40 -1.145274938e-01 -1.145274938e-01 5.42 -1.113902908e-01 -1.113902908e-01 5.44 -1.083382990e-01 -1.083382990e-01 5.46 -8.515852521e-02 -8.515852521e-02 5.48 -8.289545801e-02 -8.289545801e-02 5.50 -8.069170585e-02 -8.069170585e-02 5.52 -7.854575864e-02 -7.854575864e-02 5.54 -7.645614227e-02 -7.645614227e-02 5.56 -7.442141795e-02 -7.442141795e-02 5.58 -7.244018144e-02 -7.244018144e-02 5.60 -7.051106238e-02 -7.051106238e-02 5.62 -6.863272358e-02 -6.863272358e-02 5.64 -6.680386028e-02 -6.680386028e-02 5.66 -6.502319954e-02 -6.502319954e-02 5.68 -6.328949953e-02 -6.328949953e-02 5.70 -6.160154882e-02 -6.160154882e-02 5.72 -5.995816579e-02 -5.995816579e-02 5.74 -5.835819794e-02 -5.835819794e-02 5.76 -5.680052126e-02 -5.680052126e-02 5.78 -5.528403958e-02 -5.528403958e-02 5.80 -5.380768399e-02 -5.380768399e-02 5.82 -5.237041218e-02 -5.237041218e-02 5.84 -5.097120788e-02 -5.097120788e-02 5.86 -4.960908023e-02 -4.960908023e-02 5.88 -4.828306324e-02 -4.828306324e-02 5.90 -4.699221517e-02 -4.699221517e-02 5.92 -4.573561803e-02 -4.573561803e-02 5.94 -4.451237697e-02 -4.451237697e-02 5.96 -4.332161976e-02 -4.332161976e-02 5.98 -4.216249629e-02 -4.216249629e-02 6.00 -4.103417801e-02 -4.103417801e-02