# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2026--Park-J-H-Jo-H-J-Ahn-H-H-et-al--Fe-Cu-Bi # implementation = 2026--Park-J-H--Fe-Cu-Bi--LAMMPS--ipr1 # composition = BiCu # 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 2026-06-16 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z B4--ZnS--wurtzit B4--ZnS--wurtzit L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan 4.170804535e+02 4.170804535e+02 4.372663257e+02 4.372663257e+02 nan nan 0.68 nan nan nan nan 3.937310438e+02 3.937310438e+02 4.119401521e+02 4.119401521e+02 nan nan 0.70 nan nan nan nan 3.716211642e+02 3.716211642e+02 3.880325556e+02 3.880325556e+02 nan nan 0.72 nan nan nan nan 3.506867291e+02 3.506867291e+02 3.654642270e+02 3.654642270e+02 nan nan 0.74 nan nan nan nan 3.308669620e+02 3.308669620e+02 3.441603960e+02 3.441603960e+02 nan nan 0.76 nan nan nan nan 3.121042189e+02 3.121042189e+02 3.240505592e+02 3.240505592e+02 nan nan 0.78 4.427629356e+02 4.427629356e+02 nan nan 2.943438228e+02 2.943438228e+02 3.050682265e+02 3.050682265e+02 nan nan 0.80 4.176651370e+02 4.176651370e+02 nan nan 2.775339074e+02 2.775339074e+02 2.871506828e+02 2.871506828e+02 nan nan 0.82 3.938963278e+02 3.938963278e+02 nan nan 2.616252691e+02 2.616252691e+02 2.702387644e+02 2.702387644e+02 nan nan 0.84 3.713895114e+02 3.713895114e+02 6.280670598e+02 6.280670598e+02 2.465712278e+02 2.465712278e+02 2.542766508e+02 2.542766508e+02 nan nan 0.86 3.500809419e+02 3.500809419e+02 5.927215526e+02 5.927215526e+02 2.323274950e+02 2.323274950e+02 2.392116673e+02 2.392116673e+02 6.307841464e+02 6.307841464e+02 0.88 3.299099717e+02 3.299099717e+02 5.592530713e+02 5.592530713e+02 2.188520494e+02 2.188520494e+02 2.249941020e+02 2.249941020e+02 5.958477757e+02 5.958477757e+02 0.90 3.108189049e+02 3.108189049e+02 5.275663599e+02 5.275663599e+02 2.061050195e+02 2.061050195e+02 2.115770324e+02 2.115770324e+02 5.627357192e+02 5.627357192e+02 0.92 2.927528588e+02 2.927528588e+02 4.975708114e+02 4.975708114e+02 1.940485717e+02 1.940485717e+02 1.989161637e+02 1.989161637e+02 5.313571038e+02 5.313571038e+02 0.94 2.756596303e+02 2.756596303e+02 4.691802483e+02 4.691802483e+02 1.826468058e+02 1.826468058e+02 1.869696767e+02 1.869696767e+02 5.016254031e+02 5.016254031e+02 0.96 2.594895695e+02 2.594895695e+02 4.423127137e+02 4.423127137e+02 1.718656547e+02 1.718656547e+02 1.756980847e+02 1.756980847e+02 4.734582367e+02 4.734582367e+02 0.98 2.441954588e+02 2.441954588e+02 4.168902712e+02 4.168902712e+02 1.616727904e+02 1.616727904e+02 1.650640992e+02 1.650640992e+02 4.467771784e+02 4.467771784e+02 1.00 2.297323975e+02 2.297323975e+02 3.928388149e+02 3.928388149e+02 1.520375349e+02 1.520375349e+02 1.550325041e+02 1.550325041e+02 4.215075727e+02 4.215075727e+02 1.02 2.160576917e+02 2.160576917e+02 3.700878872e+02 3.700878872e+02 1.429307754e+02 1.429307754e+02 1.455700369e+02 1.455700369e+02 3.975783600e+02 3.975783600e+02 1.04 2.031307495e+02 2.031307495e+02 3.485705059e+02 3.485705059e+02 1.343248842e+02 1.343248842e+02 1.366452771e+02 1.366452771e+02 3.749219094e+02 3.749219094e+02 1.06 1.909129806e+02 1.909129806e+02 3.282229984e+02 3.282229984e+02 1.261936431e+02 1.261936431e+02 1.282285418e+02 1.282285418e+02 3.534738589e+02 3.534738589e+02 1.08 1.793677012e+02 1.793677012e+02 3.089848442e+02 3.089848442e+02 1.185121712e+02 1.185121712e+02 1.202917868e+02 1.202917868e+02 3.331729633e+02 3.331729633e+02 1.10 1.684600423e+02 1.684600423e+02 2.907985245e+02 2.907985245e+02 1.112568570e+02 1.112568570e+02 1.128085137e+02 1.128085137e+02 3.139609481e+02 3.139609481e+02 1.12 1.581568635e+02 1.581568635e+02 2.736093784e+02 2.736093784e+02 1.044052937e+02 1.044052937e+02 1.057536832e+02 1.057536832e+02 2.957823712e+02 2.957823712e+02 1.14 1.484266700e+02 1.484266700e+02 2.573654663e+02 2.573654663e+02 9.793621794e+01 9.793621794e+01 9.910363230e+01 9.910363230e+01 2.785844897e+02 2.785844897e+02 1.16 1.392395332e+02 1.392395332e+02 2.420174391e+02 2.420174391e+02 9.182945187e+01 9.182945187e+01 9.283599744e+01 9.283599744e+01 2.623171336e+02 2.623171336e+02 1.18 1.305670162e+02 1.305670162e+02 2.275184143e+02 2.275184143e+02 8.606584805e+01 8.606584805e+01 8.692964143e+01 8.692964143e+01 2.469325846e+02 2.469325846e+02 1.20 1.223821013e+02 1.223821013e+02 2.138238567e+02 2.138238567e+02 8.062723719e+01 8.062723719e+01 8.136458498e+01 8.136458498e+01 2.323854613e+02 2.323854613e+02 1.22 1.146591220e+02 1.146591220e+02 2.008914656e+02 2.008914656e+02 7.549637871e+01 7.549637871e+01 7.612194206e+01 7.612194206e+01 2.186326085e+02 2.186326085e+02 1.24 1.073736978e+02 1.073736978e+02 1.886810668e+02 1.886810668e+02 7.065691373e+01 7.065691373e+01 7.118385914e+01 7.118385914e+01 2.056329927e+02 2.056329927e+02 1.26 1.005026718e+02 1.005026718e+02 1.771545100e+02 1.771545100e+02 6.609332053e+01 6.609332053e+01 6.653345775e+01 6.653345775e+01 1.933476015e+02 1.933476015e+02 1.28 9.402405169e+01 9.402405169e+01 1.662755705e+02 1.662755705e+02 6.179087228e+01 6.179087228e+01 6.215478053e+01 6.215478053e+01 1.817393481e+02 1.817393481e+02 1.30 8.791695346e+01 8.791695346e+01 1.560098559e+02 1.560098559e+02 5.773559692e+01 5.773559692e+01 5.803274025e+01 5.803274025e+01 1.707729799e+02 1.707729799e+02 1.32 8.216154735e+01 8.216154735e+01 1.463247170e+02 1.463247170e+02 5.391423907e+01 5.391423907e+01 5.415307186e+01 5.415307186e+01 1.604149918e+02 1.604149918e+02 1.34 7.673900673e+01 7.673900673e+01 1.371891631e+02 1.371891631e+02 5.031422395e+01 5.031422395e+01 5.050228716e+01 5.050228716e+01 1.506335427e+02 1.506335427e+02 1.36 7.163145940e+01 7.163145940e+01 1.285737807e+02 1.285737807e+02 4.692362308e+01 4.692362308e+01 4.706763213e+01 4.706763213e+01 1.413983767e+02 1.413983767e+02 1.38 6.682194096e+01 6.682194096e+01 1.204506569e+02 1.204506569e+02 4.373112171e+01 4.373112171e+01 4.383704671e+01 4.383704671e+01 1.326807472e+02 1.326807472e+02 1.40 6.229435065e+01 6.229435065e+01 1.127933058e+02 1.127933058e+02 4.072598795e+01 4.072598795e+01 4.079912675e+01 4.079912675e+01 1.244533450e+02 1.244533450e+02 1.42 5.803340907e+01 5.803340907e+01 1.055765984e+02 1.055765984e+02 3.789804343e+01 3.789804343e+01 3.794308821e+01 3.794308821e+01 1.166902293e+02 1.166902293e+02 1.44 5.402461807e+01 5.402461807e+01 9.877669600e+01 9.877669600e+01 3.523763547e+01 3.523763547e+01 3.525873334e+01 3.525873334e+01 1.093667625e+02 1.093667625e+02 1.46 5.025422247e+01 5.025422247e+01 9.237098685e+01 9.237098685e+01 3.273561059e+01 3.273561059e+01 3.273641876e+01 3.273641876e+01 1.024595474e+02 1.024595474e+02 1.48 4.670917360e+01 4.670917360e+01 8.633802548e+01 8.633802548e+01 3.038328948e+01 3.038328948e+01 3.036702532e+01 3.036702532e+01 9.594636742e+01 9.594636742e+01 1.50 4.337709464e+01 4.337709464e+01 8.065747516e+01 8.065747516e+01 2.817244305e+01 2.817244305e+01 2.814192968e+01 2.814192968e+01 8.980613019e+01 8.980613019e+01 1.52 4.024624749e+01 4.024624749e+01 7.531005300e+01 7.531005300e+01 2.609526988e+01 2.609526988e+01 2.605297744e+01 2.605297744e+01 8.401881285e+01 8.401881285e+01 1.54 3.730550142e+01 3.730550142e+01 7.027747775e+01 7.027747775e+01 2.414437463e+01 2.414437463e+01 2.409245775e+01 2.409245775e+01 7.856541054e+01 7.856541054e+01 1.56 3.454430299e+01 3.454430299e+01 6.554241994e+01 6.554241994e+01 2.231274766e+01 2.231274766e+01 2.225307940e+01 2.225307940e+01 7.342788703e+01 7.342788703e+01 1.58 3.195264757e+01 3.195264757e+01 6.108845462e+01 6.108845462e+01 2.059374558e+01 2.059374558e+01 2.052794811e+01 2.052794811e+01 6.858912776e+01 6.858912776e+01 1.60 2.952105218e+01 2.952105218e+01 5.690001612e+01 5.690001612e+01 1.898107283e+01 1.898107283e+01 1.891054525e+01 1.891054525e+01 6.403289494e+01 6.403289494e+01 1.62 2.724052961e+01 2.724052961e+01 5.296235521e+01 5.296235521e+01 1.746876414e+01 1.746876414e+01 1.739470751e+01 1.739470751e+01 5.974378487e+01 5.974378487e+01 1.64 2.510256380e+01 2.510256380e+01 4.926149813e+01 4.926149813e+01 1.605116788e+01 1.605116788e+01 1.597460789e+01 1.597460789e+01 5.570718719e+01 5.570718719e+01 1.66 2.309908639e+01 2.309908639e+01 4.578420774e+01 4.578420774e+01 1.472293026e+01 1.472293026e+01 1.464473760e+01 1.464473760e+01 5.190924604e+01 5.190924604e+01 1.68 2.122245440e+01 2.122245440e+01 4.251794641e+01 4.251794641e+01 1.347898028e+01 1.347898028e+01 1.339988900e+01 1.339988900e+01 4.833682309e+01 4.833682309e+01 1.70 1.946542900e+01 1.946542900e+01 3.945084084e+01 3.945084084e+01 1.231451541e+01 1.231451541e+01 1.223513944e+01 1.223513944e+01 4.497746223e+01 4.497746223e+01 1.72 1.782115531e+01 1.782115531e+01 3.657164847e+01 3.657164847e+01 1.122498809e+01 1.122498809e+01 1.114583602e+01 1.114583602e+01 4.181935595e+01 4.181935595e+01 1.74 1.628314307e+01 1.628314307e+01 3.386972555e+01 3.386972555e+01 1.020609275e+01 1.020609275e+01 1.012758113e+01 1.012758113e+01 3.885131336e+01 3.885131336e+01 1.76 1.484524843e+01 1.484524843e+01 3.133499682e+01 3.133499682e+01 9.253753575e+00 9.253753575e+00 9.176218808e+00 9.176218808e+00 3.606272964e+01 3.606272964e+01 1.78 1.350165641e+01 1.350165641e+01 2.895792655e+01 2.895792655e+01 8.364112848e+00 8.364112848e+00 8.287821801e+00 8.287821801e+00 3.344355693e+01 3.344355693e+01 1.80 1.224686439e+01 1.224686439e+01 2.672949112e+01 2.672949112e+01 7.533519866e+00 7.533519866e+00 7.458679348e+00 7.458679348e+00 3.098427670e+01 3.098427670e+01 1.82 1.107566626e+01 1.107566626e+01 2.464115283e+01 2.464115283e+01 6.758520395e+00 6.758520395e+00 6.685285602e+00 6.685285602e+00 2.867587329e+01 2.867587329e+01 1.84 9.983137431e+00 9.983137431e+00 2.268483504e+01 2.268483504e+01 6.035846676e+00 6.035846676e+00 5.964328682e+00 5.964328682e+00 2.650980882e+01 2.650980882e+01 1.86 8.964620506e+00 8.964620506e+00 2.085289854e+01 2.085289854e+01 5.362407894e+00 5.362407894e+00 5.292680310e+00 5.292680310e+00 2.447799924e+01 2.447799924e+01 1.88 8.015711701e+00 8.015711701e+00 1.913811906e+01 1.913811906e+01 4.735281135e+00 4.735281135e+00 4.667385985e+00 4.667385985e+00 2.257279150e+01 2.257279150e+01 1.90 7.132247885e+00 7.132247885e+00 1.753366586e+01 1.753366586e+01 4.151702791e+00 4.151702791e+00 4.085655710e+00 4.085655710e+00 2.078694189e+01 2.078694189e+01 1.92 6.310294272e+00 6.310294272e+00 1.603308145e+01 1.603308145e+01 3.609060376e+00 3.609060376e+00 3.544855178e+00 3.544855178e+00 1.911359532e+01 1.911359532e+01 1.94 5.546132707e+00 5.546132707e+00 1.463026224e+01 1.463026224e+01 3.104884766e+00 3.104884766e+00 3.042497456e+00 3.042497456e+00 1.754626568e+01 1.754626568e+01 1.96 4.836250520e+00 4.836250520e+00 1.331944014e+01 1.331944014e+01 2.636842803e+00 2.636842803e+00 2.576235083e+00 2.576235083e+00 1.607881706e+01 1.607881706e+01 1.98 4.177329934e+00 4.177329934e+00 1.209516519e+01 1.209516519e+01 2.202730286e+00 2.202730286e+00 2.143852609e+00 2.143852609e+00 1.470544598e+01 1.470544598e+01 2.00 3.566237976e+00 3.566237976e+00 1.095228885e+01 1.095228885e+01 1.800465286e+00 1.800465286e+00 1.743259512e+00 1.743259512e+00 1.342066436e+01 1.342066436e+01 2.02 3.000016905e+00 3.000016905e+00 9.885948363e+00 9.885948363e+00 1.428081812e+00 1.428081812e+00 1.372483497e+00 1.372483497e+00 1.221928339e+01 1.221928339e+01 2.04 2.475875083e+00 2.475875083e+00 8.891551662e+00 8.891551662e+00 1.083723884e+00 1.083723884e+00 1.029664332e+00 1.029664332e+00 1.109639818e+01 1.109639818e+01 2.06 1.991178323e+00 1.991178323e+00 7.964763214e+00 7.964763214e+00 7.659203615e-01 7.659203615e-01 7.132555689e-01 7.132555689e-01 1.004737310e+01 1.004737310e+01 2.08 1.543441637e+00 1.543441637e+00 7.101490468e+00 7.101490468e+00 4.750416802e-01 4.750416802e-01 4.229339898e-01 4.229339898e-01 9.067827927e+00 9.067827927e+00 2.10 1.130321417e+00 1.130321417e+00 6.297871027e+00 6.297871027e+00 2.060346700e-01 2.060346700e-01 1.546676397e-01 1.546676397e-01 8.153624558e+00 8.153624558e+00 2.12 7.496079781e-01 7.496079781e-01 5.550260448e+00 5.550260448e+00 -4.253407967e-02 -4.253407967e-02 -9.270344550e-02 -9.270344550e-02 7.300854467e+00 7.300854467e+00 2.14 3.992184922e-01 3.992184922e-01 4.855220664e+00 4.855220664e+00 -2.709121669e-01 -2.709121669e-01 -3.199511648e-01 -3.199511648e-01 6.505826726e+00 6.505826726e+00 2.16 7.719026124e-02 7.719026124e-02 4.209508993e+00 4.209508993e+00 -4.804076135e-01 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