# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Co-Mn # implementation = 2025--Sharifi-H--Cr-Co-Mn--LAMMPS--ipr1 # composition = Co2CrMn # 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 8.606583852e+02 8.606583852e+02 1.00 7.883211205e+02 7.883211205e+02 1.02 7.190570365e+02 7.190570365e+02 1.04 6.535111917e+02 6.535111917e+02 1.06 5.920821735e+02 5.920821735e+02 1.08 5.349769647e+02 5.349769647e+02 1.10 4.822557919e+02 4.822557919e+02 1.12 4.338685773e+02 4.338685773e+02 1.14 3.896844259e+02 3.896844259e+02 1.16 3.495153501e+02 3.495153501e+02 1.18 3.131351662e+02 3.131351662e+02 1.20 2.802943945e+02 2.802943945e+02 1.22 2.507318628e+02 2.507318628e+02 1.24 2.241835932e+02 2.241835932e+02 1.26 2.003894729e+02 2.003894729e+02 1.28 1.790981182e+02 1.790981182e+02 1.30 1.600702839e+02 1.600702839e+02 1.32 1.430811130e+02 1.430811130e+02 1.34 1.279214684e+02 1.279214684e+02 1.36 1.143985485e+02 1.143985485e+02 1.38 1.023359776e+02 1.023359776e+02 1.40 9.157348736e+01 9.157348736e+01 1.42 8.196630161e+01 8.196630161e+01 1.44 7.338431659e+01 7.338431659e+01 1.46 6.571115406e+01 6.571115406e+01 1.48 5.884313974e+01 5.884313974e+01 1.50 5.268825190e+01 5.268825190e+01 1.52 4.716507494e+01 4.716507494e+01 1.54 4.220179034e+01 4.220179034e+01 1.56 3.773520976e+01 3.773520976e+01 1.58 3.370983420e+01 3.370983420e+01 1.60 3.007699341e+01 3.007699341e+01 1.62 2.679404957e+01 2.679404957e+01 1.64 2.382357984e+01 2.382357984e+01 1.66 2.113267279e+01 2.113267279e+01 1.68 1.869237852e+01 1.869237852e+01 1.70 1.647722253e+01 1.647722253e+01 1.72 1.446477356e+01 1.446477356e+01 1.74 1.263526138e+01 1.263526138e+01 1.76 1.097123867e+01 1.097123867e+01 1.78 9.457254249e+00 9.457254249e+00 1.80 8.079538618e+00 8.079538618e+00 1.82 6.825781233e+00 6.825781233e+00 1.84 5.684950366e+00 5.684950366e+00 1.86 4.647136692e+00 4.647136692e+00 1.88 3.703418187e+00 3.703418187e+00 1.90 2.845743481e+00 2.845743481e+00 1.92 2.066831178e+00 2.066831178e+00 1.94 1.360082866e+00 1.360082866e+00 1.96 7.194993427e-01 7.194993427e-01 1.98 1.395912445e-01 1.395912445e-01 2.00 -3.846760054e-01 -3.846760054e-01 2.02 -8.579714705e-01 -8.579714705e-01 2.04 -1.284781920e+00 -1.284781920e+00 2.06 -1.669241949e+00 -1.669241949e+00 2.08 -2.015103790e+00 -2.015103790e+00 2.10 -2.325773650e+00 -2.325773650e+00 2.12 -2.604344555e+00 -2.604344555e+00 2.14 -2.853626042e+00 -2.853626042e+00 2.16 -3.076171004e+00 -3.076171004e+00 2.18 -3.274299813e+00 -3.274299813e+00 2.20 -3.450120976e+00 -3.450120976e+00 2.22 -3.605543086e+00 -3.605543086e+00 2.24 -3.742260475e+00 -3.742260475e+00 2.26 -3.861808963e+00 -3.861808963e+00 2.28 -3.965595137e+00 -3.965595137e+00 2.30 -4.054907757e+00 -4.054907757e+00 2.32 -4.130928041e+00 -4.130928041e+00 2.34 -4.194738977e+00 -4.194738977e+00 2.36 -4.247333740e+00 -4.247333740e+00 2.38 -4.289623352e+00 -4.289623352e+00 2.40 -4.322443675e+00 -4.322443675e+00 2.42 -4.346561551e+00 -4.346561551e+00 2.44 -4.362662291e+00 -4.362662291e+00 2.46 -4.371348891e+00 -4.371348891e+00 2.48 -4.373178528e+00 -4.373178528e+00 2.50 -4.368669129e+00 -4.368669129e+00 2.52 -4.358302630e+00 -4.358302630e+00 2.54 -4.342527929e+00 -4.342527929e+00 2.56 -4.321763517e+00 -4.321763517e+00 2.58 -4.296399795e+00 -4.296399795e+00 2.60 -4.266801104e+00 -4.266801104e+00 2.62 -4.233307513e+00 -4.233307513e+00 2.64 -4.196236404e+00 -4.196236404e+00 2.66 -4.155883898e+00 -4.155883898e+00 2.68 -4.112526172e+00 -4.112526172e+00 2.70 -4.066420670e+00 -4.066420670e+00 2.72 -4.017807255e+00 -4.017807255e+00 2.74 -3.966909277e+00 -3.966909277e+00 2.76 -3.913934587e+00 -3.913934587e+00 2.78 -3.859076484e+00 -3.859076484e+00 2.80 -3.802514595e+00 -3.802514595e+00 2.82 -3.744415692e+00 -3.744415692e+00 2.84 -3.684934463e+00 -3.684934463e+00 2.86 -3.624214211e+00 -3.624214211e+00 2.88 -3.562387520e+00 -3.562387520e+00 2.90 -3.499576874e+00 -3.499576874e+00 2.92 -3.435895242e+00 -3.435895242e+00 2.94 -3.371446628e+00 -3.371446628e+00 2.96 -3.306326612e+00 -3.306326612e+00 2.98 -3.240622862e+00 -3.240622862e+00 3.00 -3.174415650e+00 -3.174415650e+00 3.02 -3.107778367e+00 -3.107778367e+00 3.04 -3.040778053e+00 -3.040778053e+00 3.06 -2.973475953e+00 -2.973475953e+00 3.08 -2.905928110e+00 -2.905928110e+00 3.10 -2.838186018e+00 -2.838186018e+00 3.12 -2.770297334e+00 -2.770297334e+00 3.14 -2.702306691e+00 -2.702306691e+00 3.16 -2.634256610e+00 -2.634256610e+00 3.18 -2.566188535e+00 -2.566188535e+00 3.20 -2.498144012e+00 -2.498144012e+00 3.22 -2.430166011e+00 -2.430166011e+00 3.24 -2.362300404e+00 -2.362300404e+00 3.26 -2.294597588e+00 -2.294597588e+00 3.28 -2.227114215e+00 -2.227114215e+00 3.30 -2.159915002e+00 -2.159915002e+00 3.32 -2.093074520e+00 -2.093074520e+00 3.34 -2.026678867e+00 -2.026678867e+00 3.36 -1.960827081e+00 -1.960827081e+00 3.38 -1.895632102e+00 -1.895632102e+00 3.40 -1.831221097e+00 -1.831221097e+00 3.42 -1.767734928e+00 -1.767734928e+00 3.44 -1.705326572e+00 -1.705326572e+00 3.46 -1.644158350e+00 -1.644158350e+00 3.48 -1.584397906e+00 -1.584397906e+00 3.50 -1.526213007e+00 -1.526213007e+00 3.52 -1.469765368e+00 -1.469765368e+00 3.54 -1.415203887e+00 -1.415203887e+00 3.56 -1.362657790e+00 -1.362657790e+00 3.58 -1.312230281e+00 -1.312230281e+00 3.60 -1.263993311e+00 -1.263993311e+00 3.62 -1.217984004e+00 -1.217984004e+00 3.64 -1.174203123e+00 -1.174203123e+00 3.66 -1.132615743e+00 -1.132615743e+00 3.68 -1.093154065e+00 -1.093154065e+00 3.70 -1.055722061e+00 -1.055722061e+00 3.72 -1.020201474e+00 -1.020201474e+00 3.74 -9.864585867e-01 -9.864585867e-01 3.76 -9.543511540e-01 -9.543511540e-01 3.78 -9.237349549e-01 -9.237349549e-01 3.80 -8.944695114e-01 -8.944695114e-01 3.82 -8.664226844e-01 -8.664226844e-01 3.84 -8.394739957e-01 -8.394739957e-01 3.86 -8.135166659e-01 -8.135166659e-01 3.88 -7.884584722e-01 -7.884584722e-01 3.90 -7.642216099e-01 -7.642216099e-01 3.92 -7.407417855e-01 -7.407417855e-01 3.94 -7.179667852e-01 -7.179667852e-01 3.96 -6.958547500e-01 -6.958547500e-01 3.98 -6.743723553e-01 -6.743723553e-01 4.00 -6.534930527e-01 -6.534930527e-01 4.02 -6.331954810e-01 -6.331954810e-01 4.04 -6.134621103e-01 -6.134621103e-01 4.06 -5.942781419e-01 -5.942781419e-01 4.08 -5.756306575e-01 -5.756306575e-01 4.10 -5.575079898e-01 -5.575079898e-01 4.12 -5.398992779e-01 -5.398992779e-01 4.14 -5.227941667e-01 -5.227941667e-01 4.16 -5.061826112e-01 -5.061826112e-01 4.18 -4.900547550e-01 -4.900547550e-01 4.20 -4.744008566e-01 -4.744008566e-01 4.22 -4.592112463e-01 -4.592112463e-01 4.24 -4.444763007e-01 -4.444763007e-01 4.26 -4.300623180e-01 -4.300623180e-01 4.28 -4.135111900e-01 -4.135111900e-01 4.30 -3.885064898e-01 -3.885064898e-01 4.32 -3.542777148e-01 -3.542777148e-01 4.34 -3.368094231e-01 -3.368094231e-01 4.36 -3.261183993e-01 -3.261183993e-01 4.38 -3.157349285e-01 -3.157349285e-01 4.40 -3.056524644e-01 -3.056524644e-01 4.42 -2.958643897e-01 -2.958643897e-01 4.44 -2.863640260e-01 -2.863640260e-01 4.46 -2.771446449e-01 -2.771446449e-01 4.48 -2.681994823e-01 -2.681994823e-01 4.50 -2.595217540e-01 -2.595217540e-01 4.52 -2.511046727e-01 -2.511046727e-01 4.54 -2.429414665e-01 -2.429414665e-01 4.56 -2.350253981e-01 -2.350253981e-01 4.58 -2.273497834e-01 -2.273497834e-01 4.60 -2.199080111e-01 -2.199080111e-01 4.62 -2.126935596e-01 -2.126935596e-01 4.64 -2.057000144e-01 -2.057000144e-01 4.66 -1.989210824e-01 -1.989210824e-01 4.68 -1.923506048e-01 -1.923506048e-01 4.70 -1.859825676e-01 -1.859825676e-01 4.72 -1.798111097e-01 -1.798111097e-01 4.74 -1.738305286e-01 -1.738305286e-01 4.76 -1.680352833e-01 -1.680352833e-01 4.78 -1.624199963e-01 -1.624199963e-01 4.80 -1.569794519e-01 -1.569794519e-01 4.82 -1.517085939e-01 -1.517085939e-01 4.84 -1.466025219e-01 -1.466025219e-01 4.86 -1.416564858e-01 -1.416564858e-01 4.88 -1.368658798e-01 -1.368658798e-01 4.90 -1.322262365e-01 -1.322262365e-01 4.92 -1.273795971e-01 -1.273795971e-01 4.94 -1.179685740e-01 -1.179685740e-01 4.96 -9.369914263e-02 -9.369914263e-02 4.98 -4.592273664e-02 -4.592273664e-02 5.00 -1.831848124e-23 -1.833779365e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00