# 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-Sb # implementation = 2026--Park-J-H--Fe-Cu-Sb--LAMMPS--ipr1 # composition = Fe3Sb # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 2.528651329e+02 nan nan 0.80 2.310097952e+02 nan nan 0.82 2.122244018e+02 nan nan 0.84 1.959816165e+02 2.967151199e+02 nan 0.86 1.818215218e+02 2.740584553e+02 2.304258625e+02 0.88 1.693587135e+02 2.518587672e+02 2.148719079e+02 0.90 1.582777455e+02 2.306030411e+02 2.005368239e+02 0.92 1.483240931e+02 2.106882529e+02 1.873142255e+02 0.94 1.392942343e+02 1.923684509e+02 1.751050502e+02 0.96 1.310264291e+02 1.757500355e+02 1.638180178e+02 0.98 1.233927385e+02 1.608187486e+02 1.533696833e+02 1.00 1.162923571e+02 1.474783987e+02 1.436842163e+02 1.02 1.096461361e+02 1.355872695e+02 1.346930062e+02 1.04 1.033921260e+02 1.249858650e+02 1.263341678e+02 1.06 9.748196343e+01 1.155150886e+02 1.185520003e+02 1.08 9.187795274e+01 1.070265592e+02 1.112964349e+02 1.10 8.655071598e+01 9.938741551e+01 1.045224957e+02 1.12 8.147730746e+01 9.248168548e+01 9.818978646e+01 1.14 7.663970896e+01 8.620973369e+01 9.226201476e+01 1.16 7.202363568e+01 8.048677672e+01 8.670655390e+01 1.18 6.761759587e+01 7.524105544e+01 8.149404599e+01 1.20 6.341215621e+01 7.041198743e+01 7.659804415e+01 1.22 5.939937371e+01 6.594845787e+01 7.199469198e+01 1.24 5.557236120e+01 6.180731197e+01 6.766243772e+01 1.26 5.192495937e+01 5.795206115e+01 6.358177999e+01 1.28 4.845149321e+01 5.435178996e+01 5.973504219e+01 1.30 4.514659460e+01 5.098024057e+01 5.610617259e+01 1.32 4.200507645e+01 4.781504922e+01 5.268056735e+01 1.34 3.902184640e+01 4.483711013e+01 4.944491394e+01 1.36 3.619185070e+01 4.203004545e+01 4.638705263e+01 1.38 3.351004081e+01 3.937976294e+01 4.349585395e+01 1.40 3.097135659e+01 3.687408635e+01 4.076111031e+01 1.42 2.857072170e+01 3.450244596e+01 3.817344004e+01 1.44 2.630304744e+01 3.225561925e+01 3.572420247e+01 1.46 2.416324228e+01 3.012551344e+01 3.340542267e+01 1.48 2.214622508e+01 2.810498310e+01 3.120972475e+01 1.50 2.024694030e+01 2.618767722e+01 2.913027277e+01 1.52 1.846037402e+01 2.436791113e+01 2.716071822e+01 1.54 1.678157003e+01 2.264055947e+01 2.529515346e+01 1.56 1.520564516e+01 2.100096680e+01 2.352807027e+01 1.58 1.372780371e+01 1.944487324e+01 2.185432311e+01 1.60 1.234335037e+01 1.796835274e+01 2.026909632e+01 1.62 1.104770183e+01 1.656776198e+01 1.876787493e+01 1.64 9.836396646e+00 1.523969822e+01 1.734641870e+01 1.66 8.705103644e+00 1.398096471e+01 1.600073891e+01 1.68 7.649628719e+00 1.278854229e+01 1.472707759e+01 1.70 6.665920150e+00 1.165956626e+01 1.352188908e+01 1.72 5.750072523e+00 1.059130764e+01 1.238182335e+01 1.74 4.898329366e+00 9.581157876e+00 1.130371123e+01 1.76 4.107084595e+00 8.626616594e+00 1.028455097e+01 1.78 3.372882900e+00 7.725281720e+00 9.321496306e+00 1.80 2.692419191e+00 6.874841550e+00 8.411845639e+00 1.82 2.062537206e+00 6.073068392e+00 7.553032271e+00 1.84 1.480227401e+00 5.317813473e+00 6.742615605e+00 1.86 9.426242268e-01 4.607002848e+00 5.978273159e+00 1.88 4.470028814e-01 3.938634090e+00 5.257793316e+00 1.90 -9.224359412e-03 3.310773591e+00 4.579068730e+00 1.92 -4.285121616e-01 2.721554336e+00 3.940090309e+00 1.94 -8.131864204e-01 2.169174024e+00 3.338941712e+00 1.96 -1.165448755e+00 1.651893443e+00 2.773794303e+00 1.98 -1.487381144e+00 1.168035044e+00 2.242902513e+00 2.00 -1.780950654e+00 7.159816222e-01 1.744599561e+00 2.02 -2.048014213e+00 2.941750947e-01 1.277293502e+00 2.04 -2.290323388e+00 -9.888468352e-02 8.394635596e-01 2.06 -2.509529140e+00 -4.646410796e-01 4.296567165e-01 2.08 -2.707186510e+00 -8.044818443e-01 4.648453862e-02 2.10 -2.884759234e+00 -1.119740283e+00 -3.113797955e-01 2.12 -3.043624252e+00 -1.411696445e+00 -6.452042789e-01 2.14 -3.185076096e+00 -1.681578345e+00 -9.562006915e-01 2.16 -3.310331151e+00 -1.930563203e+00 -1.245527063e+00 2.18 -3.420531809e+00 -2.159778717e+00 -1.514290000e+00 2.20 -3.516750564e+00 -2.370304360e+00 -1.763546882e+00 2.22 -3.599992447e+00 -2.563172704e+00 -1.994307954e+00 2.24 -3.671201296e+00 -2.739370756e+00 -2.207538298e+00 2.26 -3.731262079e+00 -2.899841315e+00 -2.404159727e+00 2.28 -3.781003496e+00 -3.045484340e+00 -2.585052575e+00 2.30 -3.821201723e+00 -3.177158324e+00 -2.751057410e+00 2.32 -3.852583449e+00 -3.295681667e+00 -2.902976678e+00 2.34 -3.875828774e+00 -3.401834052e+00 -3.041576264e+00 2.36 -3.891573946e+00 -3.496357812e+00 -3.167586995e+00 2.38 -3.900413966e+00 -3.579959284e+00 -3.281706078e+00 2.40 -3.902905052e+00 -3.653310151e+00 -3.384598480e+00 2.42 -3.899566973e+00 -3.717048771e+00 -3.476898252e+00 2.44 -3.890885248e+00 -3.771781474e+00 -3.559209806e+00 2.46 -3.877313234e+00 -3.818083848e+00 -3.632109133e+00 2.48 -3.859274088e+00 -3.856501993e+00 -3.696144979e+00 2.50 -3.837162622e+00 -3.887553743e+00 -3.751839982e+00 2.52 -3.811347048e+00 -3.911729873e+00 -3.799691755e+00 2.54 -3.782170628e+00 -3.929495254e+00 -3.840173934e+00 2.56 -3.749953219e+00 -3.941289998e+00 -3.873737188e+00 2.58 -3.714992736e+00 -3.947530553e+00 -3.900810185e+00 2.60 -3.677566523e+00 -3.948610772e+00 -3.921800532e+00 2.62 -3.637932643e+00 -3.944902948e+00 -3.937095667e+00 2.64 -3.596331091e+00 -3.936758809e+00 -3.947063726e+00 2.66 -3.552984936e+00 -3.924510487e+00 -3.952054379e+00 2.68 -3.508101392e+00 -3.908471446e+00 -3.952399624e+00 2.70 -3.461872821e+00 -3.888937375e+00 -3.948414564e+00 2.72 -3.414477686e+00 -3.866187053e+00 -3.940398145e+00 2.74 -3.366081429e+00 -3.840483174e+00 -3.928633868e+00 2.76 -3.316837313e+00 -3.812073146e+00 -3.913390480e+00 2.78 -3.266887196e+00 -3.781189849e+00 -3.894955752e+00 2.80 -3.216362274e+00 -3.748052368e+00 -3.873864172e+00 2.82 -3.165383761e+00 -3.712866696e+00 -3.850607363e+00 2.84 -3.114063541e+00 -3.675826398e+00 -3.824074326e+00 2.86 -3.062504772e+00 -3.637113257e+00 -3.794957381e+00 2.88 -3.010802458e+00 -3.596897884e+00 -3.763701370e+00 2.90 -2.959043978e+00 -3.555340303e+00 -3.730488529e+00 2.92 -2.907309591e+00 -3.512590509e+00 -3.695490963e+00 2.94 -2.855672900e+00 -3.468789002e+00 -3.658871125e+00 2.96 -2.804201301e+00 -3.424067291e+00 -3.620782269e+00 2.98 -2.752956388e+00 -3.378548381e+00 -3.581368887e+00 3.00 -2.701994342e+00 -3.332347234e+00 -3.540767124e+00 3.02 -2.651366298e+00 -3.285571204e+00 -3.499105183e+00 3.04 -2.601118682e+00 -3.238320458e+00 -3.456503704e+00 3.06 -2.551293530e+00 -3.190688370e+00 -3.413076138e+00 3.08 -2.501928789e+00 -3.142761900e+00 -3.368929091e+00 3.10 -2.453058597e+00 -3.094621953e+00 -3.324162668e+00 3.12 -2.404713546e+00 -3.046343719e+00 -3.278870793e+00 3.14 -2.356920927e+00 -2.997996993e+00 -3.233141517e+00 3.16 -2.309704965e+00 -2.949646491e+00 -3.187057314e+00 3.18 -2.263087030e+00 -2.901352132e+00 -3.140695362e+00 3.20 -2.216671765e+00 -2.853169319e+00 -3.094127816e+00 3.22 -2.161090864e+00 -2.805149202e+00 -3.047422063e+00 3.24 -2.069446445e+00 -2.757338924e+00 -3.000640967e+00 3.26 -1.938775459e+00 -2.709781859e+00 -2.953843110e+00 3.28 -1.889348236e+00 -2.662517834e+00 -2.907083010e+00 3.30 -1.852599571e+00 -2.615583342e+00 -2.860411339e+00 3.32 -1.816362181e+00 -2.569011738e+00 -2.813875128e+00 3.34 -1.780641826e+00 -2.522833436e+00 -2.767517959e+00 3.36 -1.745443207e+00 -2.477076082e+00 -2.721380153e+00 3.38 -1.710770037e+00 -2.431764322e+00 -2.675498950e+00 3.40 -1.676625115e+00 -2.384292521e+00 -2.629908673e+00 3.42 -1.643010386e+00 -2.310040636e+00 -2.584640893e+00 3.44 -1.609927009e+00 -2.160034588e+00 -2.539724579e+00 3.46 -1.577375408e+00 -1.957246697e+00 -2.495186249e+00 3.48 -1.545355331e+00 -1.908469281e+00 -2.451050104e+00 3.50 -1.513352445e+00 -1.870901238e+00 -2.407338164e+00 3.52 -1.455862725e+00 -1.833890699e+00 -2.364070392e+00 3.54 -1.267165163e+00 -1.797441677e+00 -2.321264814e+00 3.56 -7.988622370e-01 -1.761557184e+00 -2.278937634e+00 3.58 -3.459207839e-01 -1.726239306e+00 -2.237103342e+00 3.60 -3.359118723e-01 -1.691489267e+00 -2.195774815e+00 3.62 -3.261654099e-01 -1.657307488e+00 -2.154963418e+00 3.64 -3.166757550e-01 -1.623693651e+00 -2.114679093e+00 3.66 -3.074373272e-01 -1.590646748e+00 -2.074930450e+00 3.68 -2.984446107e-01 -1.558165139e+00 -2.035724850e+00 3.70 -2.896921567e-01 -1.526246595e+00 -1.997068484e+00 3.72 -2.811745855e-01 -1.494888351e+00 -1.958966447e+00 3.74 -2.728865888e-01 -1.464087141e+00 -1.921422812e+00 3.76 -2.648229313e-01 -1.433839245e+00 -1.884440696e+00 3.78 -2.569784522e-01 -1.404140526e+00 -1.848022324e+00 3.80 -2.493480669e-01 -1.374986465e+00 -1.812169089e+00 3.82 -2.419267678e-01 -1.346372195e+00 -1.776881612e+00 3.84 -2.347096251e-01 -1.318292534e+00 -1.742159793e+00 3.86 -2.276917883e-01 -1.290742013e+00 -1.708002864e+00 3.88 -2.208684861e-01 -1.263714907e+00 -1.674409441e+00 3.90 -2.142350275e-01 -1.237205258e+00 -1.641377561e+00 3.92 -2.072654733e-01 -1.208512089e+00 -1.605534714e+00 3.94 -1.934713506e-01 -1.143412741e+00 -1.523835187e+00 3.96 -1.568999702e-01 -9.524125540e-01 -1.280989641e+00 3.98 -8.102372508e-02 -5.198707137e-01 -7.144896527e-01 4.00 -6.223821653e-23 -3.029599440e-22 -3.319002753e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 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