# 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 = CoFe2Mn # 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 2.107323290e+02 2.107323290e+02 1.10 1.942290455e+02 1.942290455e+02 1.12 1.787969339e+02 1.787969339e+02 1.14 1.645398187e+02 1.645398187e+02 1.16 1.515903739e+02 1.515903739e+02 1.18 1.395964102e+02 1.395964102e+02 1.20 1.288917916e+02 1.288917916e+02 1.22 1.186824767e+02 1.186824767e+02 1.24 1.091849695e+02 1.091849695e+02 1.26 1.005833850e+02 1.005833990e+02 1.28 9.260016536e+01 9.260016536e+01 1.30 8.523468230e+01 8.523468230e+01 1.32 7.831059122e+01 7.831059122e+01 1.34 7.215416313e+01 7.215416313e+01 1.36 6.621803462e+01 6.621803462e+01 1.38 6.075267620e+01 6.075267620e+01 1.40 5.568039129e+01 5.568039129e+01 1.42 5.099063433e+01 5.099063433e+01 1.44 4.688252082e+01 4.688252082e+01 1.46 4.301684798e+01 4.301684798e+01 1.48 3.926314592e+01 3.926314592e+01 1.50 3.579133517e+01 3.579133517e+01 1.52 3.266338728e+01 3.266338728e+01 1.54 2.984414863e+01 2.984414863e+01 1.56 2.707107077e+01 2.707107077e+01 1.58 2.453473742e+01 2.453473742e+01 1.60 2.216022781e+01 2.216022781e+01 1.62 1.996463192e+01 1.996463192e+01 1.64 1.793473517e+01 1.793473517e+01 1.66 1.613865177e+01 1.613865177e+01 1.68 1.447575522e+01 1.447575522e+01 1.70 1.285883902e+01 1.285883902e+01 1.72 1.136573192e+01 1.136573192e+01 1.74 1.006841582e+01 1.006841582e+01 1.76 8.789088688e+00 8.789088688e+00 1.78 7.609325283e+00 7.609325283e+00 1.80 6.521956335e+00 6.521956335e+00 1.82 5.628075688e+00 5.628075688e+00 1.84 4.696481230e+00 4.696481230e+00 1.86 3.999297633e+00 3.999297633e+00 1.88 3.197804622e+00 3.197804622e+00 1.90 2.461978698e+00 2.461978698e+00 1.92 1.787101105e+00 1.787101105e+00 1.94 1.210242164e+00 1.210242164e+00 1.96 6.409500257e-01 6.409500257e-01 1.98 1.206817681e-01 1.206817681e-01 2.00 -3.540928026e-01 -3.540928026e-01 2.02 -7.866536141e-01 -7.866536141e-01 2.04 -1.180048953e+00 -1.180048953e+00 2.06 -1.537112589e+00 -1.537112589e+00 2.08 -1.860479531e+00 -1.860479531e+00 2.10 -2.080753756e+00 -2.080754093e+00 2.12 -2.310307427e+00 -2.310307427e+00 2.14 -2.554820783e+00 -2.554820783e+00 2.16 -2.773827629e+00 -2.773827629e+00 2.18 -2.969214276e+00 -2.969214276e+00 2.20 -3.142736309e+00 -3.142736309e+00 2.22 -3.296027823e+00 -3.296027823e+00 2.24 -3.347674582e+00 -3.347674582e+00 2.26 -3.471045460e+00 -3.471045460e+00 2.28 -3.577997037e+00 -3.577997037e+00 2.30 -3.669788965e+00 -3.669788965e+00 2.32 -3.747593932e+00 -3.747593932e+00 2.34 -3.812503655e+00 -3.812503655e+00 2.36 -3.865534437e+00 -3.865534437e+00 2.38 -3.907632322e+00 -3.907632322e+00 2.40 -3.939677899e+00 -3.939677899e+00 2.42 -3.962490743e+00 -3.962490743e+00 2.44 -3.890112018e+00 -3.890112018e+00 2.46 -3.902516520e+00 -3.902516520e+00 2.48 -3.907431620e+00 -3.907431620e+00 2.50 -3.905497290e+00 -3.905497290e+00 2.52 -3.816263016e+00 -3.816263016e+00 2.54 -3.807696458e+00 -3.807696458e+00 2.56 -3.793595816e+00 -3.793595816e+00 2.58 -3.774462064e+00 -3.774462064e+00 2.60 -3.750760852e+00 -3.750760852e+00 2.62 -3.722924848e+00 -3.722924848e+00 2.64 -3.691355942e+00 -3.691355942e+00 2.66 -3.656427286e+00 -3.656427286e+00 2.68 -3.618485206e+00 -3.618485206e+00 2.70 -3.577850987e+00 -3.577850987e+00 2.72 -3.534822538e+00 -3.534822538e+00 2.74 -3.468719932e+00 -3.468719932e+00 2.76 -3.422974323e+00 -3.422974323e+00 2.78 -3.375527129e+00 -3.375527129e+00 2.80 -3.326601846e+00 -3.326601846e+00 2.82 -3.276405145e+00 -3.276405145e+00 2.84 -3.225127999e+00 -3.225127999e+00 2.86 -3.172946733e+00 -3.172946733e+00 2.88 -3.120024006e+00 -3.120024006e+00 2.90 -3.066509723e+00 -3.066509723e+00 2.92 -3.012541900e+00 -3.012541900e+00 2.94 -2.958247461e+00 -2.958247461e+00 2.96 -2.903742991e+00 -2.903742991e+00 2.98 -2.849135434e+00 -2.849135434e+00 3.00 -2.794522754e+00 -2.794522754e+00 3.02 -2.739994544e+00 -2.739994544e+00 3.04 -2.685632603e+00 -2.685632603e+00 3.06 -2.631511470e+00 -2.631511470e+00 3.08 -2.577698930e+00 -2.577698930e+00 3.10 -2.524256478e+00 -2.524256478e+00 3.12 -2.471239762e+00 -2.471239762e+00 3.14 -2.418698991e+00 -2.418698991e+00 3.16 -2.338537728e+00 -2.338537728e+00 3.18 -2.288554557e+00 -2.288554557e+00 3.20 -2.239092056e+00 -2.239092056e+00 3.22 -2.190186270e+00 -2.190186270e+00 3.24 -2.141869289e+00 -2.141869289e+00 3.26 -2.094169531e+00 -2.094169531e+00 3.28 -2.047112012e+00 -2.047112012e+00 3.30 -1.917135998e+00 -1.917135998e+00 3.32 -1.875635198e+00 -1.875635198e+00 3.34 -1.834622520e+00 -1.834622520e+00 3.36 -1.794122193e+00 -1.794122193e+00 3.38 -1.754155620e+00 -1.754155620e+00 3.40 -1.714741577e+00 -1.714741577e+00 3.42 -1.675896407e+00 -1.675896407e+00 3.44 -1.637634193e+00 -1.637634193e+00 3.46 -1.599966925e+00 -1.599966925e+00 3.48 -1.562904655e+00 -1.562904655e+00 3.50 -1.526455644e+00 -1.526455644e+00 3.52 -1.490626496e+00 -1.490626496e+00 3.54 -1.455422289e+00 -1.455422289e+00 3.56 -1.420846688e+00 -1.420846688e+00 3.58 -1.386902063e+00 -1.386902063e+00 3.60 -1.353589589e+00 -1.353589589e+00 3.62 -1.320909346e+00 -1.320909346e+00 3.64 -1.288860407e+00 -1.288860407e+00 3.66 -1.257440927e+00 -1.257440927e+00 3.68 -1.226648219e+00 -1.226648219e+00 3.70 -1.196478830e+00 -1.196478830e+00 3.72 -1.166928609e+00 -1.166928609e+00 3.74 -1.137992772e+00 -1.137992772e+00 3.76 -1.109665965e+00 -1.109665965e+00 3.78 -1.081942312e+00 -1.081942312e+00 3.80 -1.054815477e+00 -1.054815477e+00 3.82 -1.028278707e+00 -1.028278707e+00 3.84 -1.002324878e+00 -1.002324878e+00 3.86 -9.336348434e-01 -9.336348434e-01 3.88 -9.106870433e-01 -9.106870433e-01 3.90 -8.882192051e-01 -8.882192051e-01 3.92 -8.662265021e-01 -8.662265021e-01 3.94 -8.447037776e-01 -8.447037776e-01 3.96 -8.236455795e-01 -8.236455795e-01 3.98 -8.030461927e-01 -8.030461927e-01 4.00 -7.828996688e-01 -7.828996688e-01 4.02 -7.631998546e-01 -7.631998546e-01 4.04 -7.439404174e-01 -7.439404174e-01 4.06 -7.251148695e-01 -7.251148695e-01 4.08 -7.067165909e-01 -7.067165909e-01 4.10 -6.887388495e-01 -6.887388495e-01 4.12 -6.711748208e-01 -6.711748208e-01 4.14 -6.540176058e-01 -6.540176058e-01 4.16 -6.372602471e-01 -6.372602471e-01 4.18 -6.208957448e-01 -6.208957448e-01 4.20 -6.049170700e-01 -6.049170700e-01 4.22 -5.893171783e-01 -5.893171783e-01 4.24 -5.740890213e-01 -5.740890213e-01 4.26 -5.592255581e-01 -5.592255581e-01 4.28 -5.447197650e-01 -5.447197650e-01 4.30 -5.305646449e-01 -5.305646449e-01 4.32 -5.167532358e-01 -5.167532358e-01 4.34 -5.032786186e-01 -5.032786186e-01 4.36 -4.901339239e-01 -4.901339239e-01 4.38 -4.773123385e-01 -4.773123385e-01 4.40 -4.648071114e-01 -4.648071114e-01 4.42 -4.526115587e-01 -4.526115587e-01 4.44 -4.407190683e-01 -4.407190683e-01 4.46 -4.291231045e-01 -4.291231045e-01 4.48 -4.178172112e-01 -4.178172112e-01 4.50 -4.067950158e-01 -4.067950158e-01 4.52 -3.960502315e-01 -3.960502315e-01 4.54 -3.855766606e-01 -3.855766606e-01 4.56 -3.753681958e-01 -3.753681958e-01 4.58 -3.654188232e-01 -3.654188232e-01 4.60 -3.557226228e-01 -3.557226228e-01 4.62 -3.462737707e-01 -3.462737707e-01 4.64 -3.370665396e-01 -3.370665396e-01 4.66 -3.280953001e-01 -3.280953001e-01 4.68 -3.193545208e-01 -3.193545208e-01 4.70 -3.108387693e-01 -3.108387693e-01 4.72 -3.025427121e-01 -3.025427121e-01 4.74 -2.944611146e-01 -2.944611146e-01 4.76 -2.865888414e-01 -2.865888414e-01 4.78 -2.789208557e-01 -2.789208557e-01 4.80 -2.714522191e-01 -2.714522191e-01 4.82 -2.641780910e-01 -2.641780910e-01 4.84 -2.570937283e-01 -2.570937283e-01 4.86 -2.501944844e-01 -2.501944844e-01 4.88 -2.434758085e-01 -2.434758085e-01 4.90 -2.369332450e-01 -2.369332450e-01 4.92 -2.305624320e-01 -2.305624320e-01 4.94 -2.243591009e-01 -2.243591009e-01 4.96 -2.183190751e-01 -2.183190751e-01 4.98 -2.124382688e-01 -2.124382688e-01 5.00 -2.067126857e-01 -2.067126857e-01 5.02 -2.011384183e-01 -2.011384183e-01 5.04 -1.957116463e-01 -1.957116463e-01 5.06 -1.904286351e-01 -1.904286351e-01 5.08 -1.852857352e-01 -1.852857352e-01 5.10 -1.802793801e-01 -1.802793801e-01 5.12 -1.754060854e-01 -1.754060854e-01 5.14 -1.706624476e-01 -1.706624476e-01 5.16 -1.660451421e-01 -1.660451421e-01 5.18 -1.615509225e-01 -1.615509225e-01 5.20 -1.571766187e-01 -1.571766187e-01 5.22 -1.529191358e-01 -1.529191358e-01 5.24 -1.487754527e-01 -1.487754527e-01 5.26 -1.447426205e-01 -1.447426205e-01 5.28 -1.408177614e-01 -1.408177614e-01 5.30 -1.369980670e-01 -1.369980670e-01 5.32 -1.332807973e-01 -1.332807973e-01 5.34 -1.296632789e-01 -1.296632789e-01 5.36 -1.261429040e-01 -1.261429040e-01 5.38 -1.227171288e-01 -1.227171288e-01 5.40 -1.193834725e-01 -1.193834725e-01 5.42 -1.161395155e-01 -1.161395155e-01 5.44 -1.129828985e-01 -1.129828985e-01 5.46 -8.836506181e-02 -8.836506181e-02 5.48 -8.603557741e-02 -8.603557741e-02 5.50 -8.376661459e-02 -8.376661459e-02 5.52 -8.155664853e-02 -8.155664853e-02 5.54 -7.940419022e-02 -7.940419022e-02 5.56 -7.730778581e-02 -7.730778581e-02 5.58 -7.526601589e-02 -7.526601589e-02 5.60 -7.327749479e-02 -7.327749479e-02 5.62 -7.134086993e-02 -7.134086993e-02 5.64 -6.945482114e-02 -6.945482114e-02 5.66 -6.761805997e-02 -6.761805997e-02 5.68 -6.582932904e-02 -6.582932904e-02 5.70 -6.408740142e-02 -6.408740142e-02 5.72 -6.239107992e-02 -6.239107992e-02 5.74 -6.073919652e-02 -6.073919652e-02 5.76 -5.913061169e-02 -5.913061169e-02 5.78 -5.756421382e-02 -5.756421382e-02 5.80 -5.603891856e-02 -5.603891856e-02 5.82 -5.455366825e-02 -5.455366825e-02 5.84 -5.310743134e-02 -5.310743134e-02 5.86 -5.169920177e-02 -5.169920177e-02 5.88 -5.032799842e-02 -5.032799842e-02 5.90 -4.899286456e-02 -4.899286456e-02 5.92 -4.769286727e-02 -4.769286727e-02 5.94 -4.642709689e-02 -4.642709689e-02 5.96 -4.519466654e-02 -4.519466654e-02 5.98 -4.399471153e-02 -4.399471153e-02 6.00 -4.282638888e-02 -4.282638888e-02