# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Co-Fe # implementation = 2025--Sharifi-H--Cu-Co-Fe--LAMMPS--ipr1 # composition = Co2CuFe # 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 6.667229335e+02 6.667229335e+02 1.00 6.091714685e+02 6.091714685e+02 1.02 5.547298955e+02 5.547298955e+02 1.04 5.037403752e+02 5.037403752e+02 1.06 4.563626592e+02 4.563626592e+02 1.08 4.126242812e+02 4.126242812e+02 1.10 3.724594323e+02 3.724594323e+02 1.12 3.357383116e+02 3.357383116e+02 1.14 3.022891674e+02 3.022891674e+02 1.16 2.719147340e+02 2.719147340e+02 1.18 2.444043557e+02 2.444043557e+02 1.20 2.195428225e+02 2.195428225e+02 1.22 1.971166931e+02 1.971166931e+02 1.24 1.769187105e+02 1.769187105e+02 1.26 1.587507767e+02 1.587507767e+02 1.28 1.424258414e+02 1.424258414e+02 1.30 1.277689591e+02 1.277689591e+02 1.32 1.146177612e+02 1.146177612e+02 1.34 1.028225419e+02 1.028225419e+02 1.36 9.224603272e+01 9.224603272e+01 1.38 8.276295917e+01 8.276295917e+01 1.40 7.425945610e+01 7.425945610e+01 1.42 6.663239524e+01 6.663239524e+01 1.44 5.978866314e+01 5.978866314e+01 1.46 5.364442290e+01 5.364442290e+01 1.48 4.812437821e+01 4.812437821e+01 1.50 4.316105551e+01 4.316105551e+01 1.52 3.869411657e+01 3.869411657e+01 1.54 3.466970524e+01 3.466970524e+01 1.56 3.103983447e+01 3.103983447e+01 1.58 2.776180830e+01 2.776180830e+01 1.60 2.479768971e+01 2.479768971e+01 1.62 2.211381793e+01 2.211381793e+01 1.64 1.968036633e+01 1.968036633e+01 1.66 1.747093939e+01 1.747093939e+01 1.68 1.546220677e+01 1.546220677e+01 1.70 1.363357127e+01 1.363357127e+01 1.72 1.196686842e+01 1.196686842e+01 1.74 1.044609610e+01 1.044609610e+01 1.76 9.057170006e+00 9.057170006e+00 1.78 7.787678162e+00 7.787678162e+00 1.80 6.626639435e+00 6.626639435e+00 1.82 5.564334970e+00 5.564334970e+00 1.84 4.592183256e+00 4.592183256e+00 1.86 3.702609265e+00 3.702609265e+00 1.88 2.888887985e+00 2.888887985e+00 1.90 2.144962897e+00 2.144962897e+00 1.92 1.465347187e+00 1.465347187e+00 1.94 8.450681233e-01 8.450681233e-01 1.96 2.796172351e-01 2.796172351e-01 1.98 -2.351163076e-01 -2.351163076e-01 2.00 -7.029293791e-01 -7.029293791e-01 2.02 -1.127340558e+00 -1.127340558e+00 2.04 -1.511611147e+00 -1.511611147e+00 2.06 -1.858764444e+00 -1.858764444e+00 2.08 -2.171603510e+00 -2.171603510e+00 2.10 -2.452728938e+00 -2.452728938e+00 2.12 -2.704555668e+00 -2.704555668e+00 2.14 -2.929323558e+00 -2.929323558e+00 2.16 -3.129109790e+00 -3.129109790e+00 2.18 -3.305840684e+00 -3.305840684e+00 2.20 -3.461301669e+00 -3.461301669e+00 2.22 -3.597148469e+00 -3.597148469e+00 2.24 -3.714917274e+00 -3.714917274e+00 2.26 -3.816033437e+00 -3.816033437e+00 2.28 -3.901819496e+00 -3.901819496e+00 2.30 -3.973502587e+00 -3.973502587e+00 2.32 -4.032220847e+00 -4.032220847e+00 2.34 -4.078999061e+00 -4.078999061e+00 2.36 -4.114743761e+00 -4.114743761e+00 2.38 -4.140301734e+00 -4.140301734e+00 2.40 -4.156468137e+00 -4.156468137e+00 2.42 -4.163989280e+00 -4.163989280e+00 2.44 -4.163565409e+00 -4.163565409e+00 2.46 -4.155862425e+00 -4.155862425e+00 2.48 -4.141518256e+00 -4.141518256e+00 2.50 -4.121128692e+00 -4.121128692e+00 2.52 -4.095248445e+00 -4.095248445e+00 2.54 -4.064393724e+00 -4.064393724e+00 2.56 -4.029044653e+00 -4.029044653e+00 2.58 -3.989647535e+00 -3.989647535e+00 2.60 -3.946616986e+00 -3.946616986e+00 2.62 -3.900337927e+00 -3.900337927e+00 2.64 -3.851167458e+00 -3.851167458e+00 2.66 -3.799436616e+00 -3.799436616e+00 2.68 -3.745452023e+00 -3.745452023e+00 2.70 -3.689497433e+00 -3.689497433e+00 2.72 -3.631835180e+00 -3.631835180e+00 2.74 -3.572707544e+00 -3.572707544e+00 2.76 -3.512338018e+00 -3.512338018e+00 2.78 -3.450932513e+00 -3.450932513e+00 2.80 -3.388680474e+00 -3.388680474e+00 2.82 -3.325755933e+00 -3.325755933e+00 2.84 -3.262318498e+00 -3.262318498e+00 2.86 -3.198514270e+00 -3.198514270e+00 2.88 -3.134476719e+00 -3.134476719e+00 2.90 -3.070327488e+00 -3.070327488e+00 2.92 -3.006177160e+00 -3.006177160e+00 2.94 -2.942125966e+00 -2.942125966e+00 2.96 -2.878264460e+00 -2.878264460e+00 2.98 -2.814674139e+00 -2.814674139e+00 3.00 -2.751428032e+00 -2.751428032e+00 3.02 -2.688688323e+00 -2.688688323e+00 3.04 -2.627698392e+00 -2.627698392e+00 3.06 -2.568881432e+00 -2.568881432e+00 3.08 -2.507525872e+00 -2.507525872e+00 3.10 -2.446712298e+00 -2.446712298e+00 3.12 -2.386534590e+00 -2.386534590e+00 3.14 -2.327019954e+00 -2.327019954e+00 3.16 -2.268190651e+00 -2.268190651e+00 3.18 -2.210064312e+00 -2.210064312e+00 3.20 -2.152654249e+00 -2.152654249e+00 3.22 -2.095969732e+00 -2.095969732e+00 3.24 -2.040016264e+00 -2.040016264e+00 3.26 -1.984795830e+00 -1.984795830e+00 3.28 -1.930307146e+00 -1.930307146e+00 3.30 -1.876545884e+00 -1.876545884e+00 3.32 -1.823504901e+00 -1.823504901e+00 3.34 -1.771174456e+00 -1.771174456e+00 3.36 -1.719542423e+00 -1.719542423e+00 3.38 -1.668594512e+00 -1.668594512e+00 3.40 -1.618314475e+00 -1.618314475e+00 3.42 -1.568684339e+00 -1.568684339e+00 3.44 -1.519684627e+00 -1.519684627e+00 3.46 -1.471294604e+00 -1.471294604e+00 3.48 -1.423492533e+00 -1.423492533e+00 3.50 -1.376255950e+00 -1.376255950e+00 3.52 -1.329561962e+00 -1.329561962e+00 3.54 -1.283387574e+00 -1.283387574e+00 3.56 -1.237710035e+00 -1.237710035e+00 3.58 -1.192507235e+00 -1.192507235e+00 3.60 -1.147758116e+00 -1.147758116e+00 3.62 -1.103443133e+00 -1.103443133e+00 3.64 -1.059544748e+00 -1.059544748e+00 3.66 -1.016047955e+00 -1.016047955e+00 3.68 -9.729408374e-01 -9.729408374e-01 3.70 -9.302151531e-01 -9.302151531e-01 3.72 -8.878669275e-01 -8.878669275e-01 3.74 -8.458970526e-01 -8.458970526e-01 3.76 -8.043118687e-01 -8.043118687e-01 3.78 -7.631237093e-01 -7.631237093e-01 3.80 -7.223513844e-01 -7.223513844e-01 3.82 -6.820205737e-01 -6.820205737e-01 3.84 -6.421640977e-01 -6.421640977e-01 3.86 -6.028220356e-01 -6.028220356e-01 3.88 -5.640416562e-01 -5.640416562e-01 3.90 -5.258771333e-01 -5.258771333e-01 3.92 -4.883890201e-01 -4.883890201e-01 3.94 -4.516434663e-01 -4.516434663e-01 3.96 -4.157111733e-01 -4.157111733e-01 3.98 -3.806660920e-01 -3.806660920e-01 4.00 -3.465838891e-01 -3.465838891e-01 4.02 -3.135402171e-01 -3.135402171e-01 4.04 -2.816088446e-01 -2.816088446e-01 4.06 -2.508597125e-01 -2.508597125e-01 4.08 -2.213569950e-01 -2.213569950e-01 4.10 -1.931572498e-01 -1.931572498e-01 4.12 -1.663077421e-01 -1.663077421e-01 4.14 -1.408450211e-01 -1.408450211e-01 4.16 -1.167938188e-01 -1.167938188e-01 4.18 -9.416632104e-02 -9.416632104e-02 4.20 -7.296184546e-02 -7.296184546e-02 4.22 -5.316693452e-02 -5.316693452e-02 4.24 -3.475585230e-02 -3.475585230e-02 4.26 -1.763564483e-02 -1.763564483e-02 4.28 -9.053101545e-04 -9.053101545e-04 4.30 1.615622085e-02 1.615622085e-02 4.32 2.996565481e-02 2.996565481e-02 4.34 3.953958553e-02 3.953958553e-02 4.36 4.836670464e-02 4.836670464e-02 4.38 5.658995702e-02 5.658995702e-02 4.40 6.426196617e-02 6.426196617e-02 4.42 7.143090741e-02 7.143090741e-02 4.44 7.814042769e-02 7.814042769e-02 4.46 8.442969881e-02 8.442969881e-02 4.48 9.033358071e-02 9.033358071e-02 4.50 9.588287112e-02 9.588287112e-02 4.52 1.011046179e-01 1.011046179e-01 4.54 1.060224717e-01 1.060224717e-01 4.56 1.106570587e-01 1.106570587e-01 4.58 1.150263566e-01 1.150263566e-01 4.60 1.191460590e-01 1.191460590e-01 4.62 1.230299182e-01 1.230299182e-01 4.64 1.266900576e-01 1.266900576e-01 4.66 1.301372502e-01 1.301372502e-01 4.68 1.333811604e-01 1.333811604e-01 4.70 1.364305495e-01 1.364305495e-01 4.72 1.392934462e-01 1.392934462e-01 4.74 1.419772859e-01 1.419772859e-01 4.76 1.444890214e-01 1.444890214e-01 4.78 1.468352102e-01 1.468352102e-01 4.80 1.490220808e-01 1.490220808e-01 4.82 1.510555839e-01 1.510555839e-01 4.84 1.529414296e-01 1.529414296e-01 4.86 1.546851159e-01 1.546851159e-01 4.88 1.562919488e-01 1.562919488e-01 4.90 1.577670576e-01 1.577670576e-01 4.92 1.585132133e-01 1.585132133e-01 4.94 1.508353418e-01 1.508353418e-01 4.96 1.164898598e-01 1.164898598e-01 4.98 4.672719825e-02 4.672719825e-02 5.00 -2.161500090e-22 -2.150719664e-22 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