# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ni # implementation = 2025--Sharifi-H--Fe-Ni--LAMMPS--ipr1 # composition = Fe3Ni # 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 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 6.970915915e+02 nan nan 0.92 6.324946223e+02 nan nan 0.94 5.742870437e+02 nan nan 0.96 5.216751659e+02 nan nan 0.98 4.739995921e+02 6.841903717e+02 nan 1.00 4.304860580e+02 6.281967609e+02 nan 1.02 3.902529819e+02 5.756843076e+02 6.570825828e+02 1.04 3.531548283e+02 5.266001682e+02 6.043808134e+02 1.06 3.190578880e+02 4.809162158e+02 5.547392822e+02 1.08 2.878113881e+02 4.385510540e+02 5.082013432e+02 1.10 2.592539897e+02 3.993863248e+02 4.647502095e+02 1.12 2.332187609e+02 3.632789351e+02 4.243248979e+02 1.14 2.095370070e+02 3.300702123e+02 3.868325135e+02 1.16 1.880412207e+02 2.995927511e+02 3.521577446e+02 1.18 1.685673310e+02 2.716755051e+02 3.201701914e+02 1.20 1.509564050e+02 2.461475537e+02 2.907300249e+02 1.22 1.350559152e+02 2.228408604e+02 2.636923369e+02 1.24 1.207206491e+02 2.015922607e+02 2.389104616e+02 1.26 1.078133278e+02 1.822448619e+02 2.162384873e+02 1.28 9.620498634e+01 1.646489938e+02 1.955331246e+02 1.30 8.577515895e+01 1.486628142e+02 1.766550682e+02 1.32 7.641190396e+01 1.341526503e+02 1.594699608e+02 1.34 6.801169855e+01 1.209931372e+02 1.438490504e+02 1.36 6.047924208e+01 1.090672034e+02 1.296696169e+02 1.38 5.372717452e+01 9.826593875e+01 1.168152237e+02 1.40 4.767573210e+01 8.848837543e+01 1.051758448e+02 1.42 4.225236017e+01 7.964120557e+01 9.464790316e+01 1.44 3.739129599e+01 7.163845258e+01 8.513423876e+01 1.46 3.303313515e+01 6.440111218e+01 7.654403330e+01 1.48 2.912439035e+01 5.785677338e+01 6.879269964e+01 1.50 2.561705098e+01 5.193922910e+01 6.180174064e+01 1.52 2.246815145e+01 4.658808495e+01 5.549858189e+01 1.54 1.963935387e+01 4.174836998e+01 4.981637700e+01 1.56 1.709653907e+01 3.737015302e+01 4.469378560e+01 1.58 1.480942037e+01 3.340817433e+01 4.007472951e+01 1.60 1.275117801e+01 2.982148930e+01 3.590812672e+01 1.62 1.089811087e+01 2.657312695e+01 3.214760754e+01 1.64 9.229224716e+00 2.362976532e+01 2.875122084e+01 1.66 7.725845842e+00 2.096142407e+01 2.568113442e+01 1.68 6.371383653e+00 1.854117368e+01 2.290333179e+01 1.70 5.151123486e+00 1.634483650e+01 2.038731125e+01 1.72 4.052034050e+00 1.435070071e+01 1.810579179e+01 1.74 3.062571799e+00 1.253924835e+01 1.603443058e+01 1.76 2.172406206e+00 1.089291995e+01 1.415155252e+01 1.78 1.372220716e+00 9.395935836e+00 1.243789510e+01 1.80 6.536096610e-01 8.034132361e+00 1.087636891e+01 1.82 8.986185961e-03 6.794815004e+00 9.451842445e+00 1.84 -5.685002751e-01 5.666620634e+00 8.150941043e+00 1.86 -1.085037547e+00 4.639389679e+00 6.961862384e+00 1.88 -1.546216457e+00 3.704048596e+00 5.874208433e+00 1.90 -1.957090644e+00 2.852502291e+00 4.878829389e+00 1.92 -2.322229611e+00 2.077535819e+00 3.967684623e+00 1.94 -2.645766170e+00 1.372719694e+00 3.133710387e+00 1.96 -2.931438996e+00 7.322842640e-01 2.370643620e+00 1.98 -3.182631753e+00 1.510123681e-01 1.672872806e+00 2.00 -3.402419320e+00 -3.758498474e-01 1.035314163e+00 2.02 -3.593609097e+00 -8.526719301e-01 4.533029789e-01 2.04 -3.758763417e+00 -1.283474996e+00 -7.745043826e-02 2.06 -3.900224215e+00 -1.671960128e+00 -5.608937810e-01 2.08 -4.020133118e+00 -2.021534397e+00 -1.000662465e+00 2.10 -4.120448744e+00 -2.335336091e+00 -1.400106486e+00 2.12 -4.202962470e+00 -2.616258201e+00 -1.762314603e+00 2.14 -4.269312951e+00 -2.866965031e+00 -2.090136756e+00 2.16 -4.321000837e+00 -3.089910217e+00 -2.386205676e+00 2.18 -4.359408716e+00 -3.287353607e+00 -2.652952691e+00 2.20 -4.385804764e+00 -3.461376839e+00 -2.892623366e+00 2.22 -4.401347082e+00 -3.613897657e+00 -3.107292518e+00 2.24 -4.407093204e+00 -3.746683038e+00 -3.298877868e+00 2.26 -4.404008827e+00 -3.861361262e+00 -3.469152554e+00 2.28 -4.392975762e+00 -3.959432978e+00 -3.619756531e+00 2.30 -4.374799186e+00 -4.042281356e+00 -3.752206999e+00 2.32 -4.350214259e+00 -4.111181433e+00 -3.867907983e+00 2.34 -4.319892155e+00 -4.167308673e+00 -3.968159080e+00 2.36 -4.284445567e+00 -4.211746843e+00 -4.054163503e+00 2.38 -4.244433728e+00 -4.245495256e+00 -4.127035474e+00 2.40 -4.200366992e+00 -4.269475405e+00 -4.187806995e+00 2.42 -4.152711016e+00 -4.284538844e+00 -4.237436640e+00 2.44 -4.101890573e+00 -4.291475962e+00 -4.276819882e+00 2.46 -4.048293018e+00 -4.291015839e+00 -4.306786667e+00 2.48 -3.992271093e+00 -4.283828996e+00 -4.328103340e+00 2.50 -3.934145947e+00 -4.270532245e+00 -4.341477844e+00 2.52 -3.874210183e+00 -4.251693929e+00 -4.347565672e+00 2.54 -3.812730281e+00 -4.227837760e+00 -4.346973884e+00 2.56 -3.749948789e+00 -4.199446302e+00 -4.340264738e+00 2.58 -3.686086330e+00 -4.166964180e+00 -4.327959043e+00 2.60 -3.621343431e+00 -4.130801049e+00 -4.310539256e+00 2.62 -3.555902203e+00 -4.091334237e+00 -4.288452325e+00 2.64 -3.489927863e+00 -4.048911318e+00 -4.262112325e+00 2.66 -3.423570138e+00 -4.003852409e+00 -4.231902888e+00 2.68 -3.356964542e+00 -3.956452246e+00 -4.198179442e+00 2.70 -3.290233546e+00 -3.906982152e+00 -4.161271281e+00 2.72 -3.223487646e+00 -3.855691827e+00 -4.121483479e+00 2.74 -3.156853431e+00 -3.802811000e+00 -4.079098655e+00 2.76 -3.090642732e+00 -3.748550955e+00 -4.034378607e+00 2.78 -3.024656433e+00 -3.693105928e+00 -3.987565819e+00 2.80 -2.958745079e+00 -3.636654400e+00 -3.938884853e+00 2.82 -2.893222889e+00 -3.579360290e+00 -3.888543647e+00 2.84 -2.828146417e+00 -3.521374047e+00 -3.836734725e+00 2.86 -2.763565586e+00 -3.462833671e+00 -3.783637841e+00 2.88 -2.699524216e+00 -3.403865635e+00 -3.729421754e+00 2.90 -2.636060515e+00 -3.344585753e+00 -3.674227777e+00 2.92 -2.573207527e+00 -3.285099972e+00 -3.618200938e+00 2.94 -2.510993548e+00 -3.225505103e+00 -3.561473150e+00 2.96 -2.449442503e+00 -3.165889500e+00 -3.504164785e+00 2.98 -2.388574307e+00 -3.106333680e+00 -3.446386981e+00 3.00 -2.328405186e+00 -3.046910901e+00 -3.388242280e+00 3.02 -2.268947987e+00 -2.987687697e+00 -3.329825227e+00 3.04 -2.210212458e+00 -2.928724364e+00 -3.271222926e+00 3.06 -2.152205519e+00 -2.870075420e+00 -3.212515549e+00 3.08 -2.094931510e+00 -2.811790019e+00 -3.153776818e+00 3.10 -2.038392432e+00 -2.753912347e+00 -3.095074443e+00 3.12 -1.982588170e+00 -2.696481973e+00 -3.036470535e+00 3.14 -1.927516713e+00 -2.639534188e+00 -2.978021990e+00 3.16 -1.873174366e+00 -2.583100312e+00 -2.919780841e+00 3.18 -1.819555949e+00 -2.527207975e+00 -2.861794587e+00 3.20 -1.766655004e+00 -2.471881390e+00 -2.804106508e+00 3.22 -1.714463990e+00 -2.417141590e+00 -2.746755940e+00 3.24 -1.662974480e+00 -2.363006666e+00 -2.689778553e+00 3.26 -1.612177366e+00 -2.309491971e+00 -2.633206591e+00 3.28 -1.562063053e+00 -2.256610326e+00 -2.577069110e+00 3.30 -1.512621663e+00 -2.204372201e+00 -2.521392192e+00 3.32 -1.463843249e+00 -2.152785891e+00 -2.466199150e+00 3.34 -1.415717996e+00 -2.101857679e+00 -2.411510718e+00 3.36 -1.368236445e+00 -2.051591989e+00 -2.357345228e+00 3.38 -1.321389708e+00 -2.001991533e+00 -2.303718779e+00 3.40 -1.275169692e+00 -1.953057448e+00 -2.250645394e+00 3.42 -1.229569326e+00 -1.904789428e+00 -2.198137169e+00 3.44 -1.184582783e+00 -1.857185852e+00 -2.146204414e+00 3.46 -1.140205705e+00 -1.810243908e+00 -2.094855783e+00 3.48 -1.096435424e+00 -1.763959707e+00 -2.044098279e+00 3.50 -1.053271164e+00 -1.718328406e+00 -1.993934544e+00 3.52 -1.010714244e+00 -1.673344317e+00 -1.944361925e+00 3.54 -9.687682504e-01 -1.629001026e+00 -1.895397229e+00 3.56 -9.274391914e-01 -1.585291506e+00 -1.847050533e+00 3.58 -8.867356156e-01 -1.542208229e+00 -1.799311827e+00 3.60 -8.466686968e-01 -1.499743285e+00 -1.752181416e+00 3.62 -8.072522718e-01 -1.457888500e+00 -1.705658822e+00 3.64 -7.685028279e-01 -1.416635555e+00 -1.659742873e+00 3.66 -7.304394317e-01 -1.375976109e+00 -1.614431794e+00 3.68 -6.930835959e-01 -1.335901926e+00 -1.569723294e+00 3.70 -6.564590788e-01 -1.296405003e+00 -1.525614656e+00 3.72 -6.205916139e-01 -1.257477699e+00 -1.482102815e+00 3.74 -5.855085696e-01 -1.219112871e+00 -1.439184445e+00 3.76 -5.512385422e-01 -1.181304010e+00 -1.396856043e+00 3.78 -5.178108842e-01 -1.144045368e+00 -1.355114006e+00 3.80 -4.852551786e-01 -1.107332097e+00 -1.313954710e+00 3.82 -4.536006674e-01 -1.071160379e+00 -1.273374593e+00 3.84 -4.228756480e-01 -1.035527547e+00 -1.233370227e+00 3.86 -3.931068543e-01 -1.000432199e+00 -1.193938397e+00 3.88 -3.643188366e-01 -9.658743100e-01 -1.155076169e+00 3.90 -3.365333627e-01 -9.318553122e-01 -1.116780965e+00 3.92 -3.097688555e-01 -8.983781726e-01 -1.079050629e+00 3.94 -2.840398876e-01 -8.654474391e-01 -1.041883491e+00 3.96 -2.593567491e-01 -8.330692637e-01 -1.005278426e+00 3.98 -2.357251028e-01 -8.012513947e-01 -9.692349092e-01 4.00 -2.131457402e-01 -7.700031367e-01 -9.337530658e-01 4.02 -1.930167169e-01 -7.393352720e-01 -8.988337107e-01 4.04 -1.941352329e-01 -7.092599454e-01 -8.644783839e-01 4.06 -2.167504765e-01 -6.797905075e-01 -8.306893754e-01 4.08 -2.291717039e-01 -6.509413184e-01 -7.974697406e-01 4.10 -2.205985513e-01 -6.227275115e-01 -7.648233046e-01 4.12 -2.104302020e-01 -5.951647220e-01 -7.327546544e-01 4.14 -2.005639983e-01 -5.682687824e-01 -7.012691194e-01 4.16 -1.909934247e-01 -5.420553914e-01 -6.703727370e-01 4.18 -1.817120256e-01 -5.165397643e-01 -6.400722045e-01 4.20 -1.727134086e-01 -4.917362726e-01 -6.103748171e-01 4.22 -1.639912474e-01 -4.676580822e-01 -5.812883904e-01 4.24 -1.555392843e-01 -4.443168012e-01 -5.528211682e-01 4.26 -1.473513336e-01 -4.216156535e-01 -5.249817167e-01 4.28 -1.394212831e-01 -3.979103734e-01 -4.977788051e-01 4.30 -1.317430968e-01 -3.752772138e-01 -4.712212735e-01 4.32 -1.243108167e-01 -3.845999590e-01 -4.453178907e-01 4.34 -1.171185648e-01 -3.839257216e-01 -4.200772028e-01 4.36 -1.101605446e-01 -3.711036448e-01 -3.955073753e-01 4.38 -1.034310423e-01 -3.586277950e-01 -3.716160313e-01 4.40 -9.706315496e-02 -3.464878060e-01 -3.484100883e-01 4.42 -9.344478641e-02 -3.346741885e-01 -3.258955967e-01 4.44 -9.305372273e-02 -3.231781845e-01 -3.040775844e-01 4.46 -5.107746993e-02 -3.119916399e-01 -2.829599083e-01 4.48 1.606042155e-02 -3.011068951e-01 -2.625451182e-01 4.50 1.735400036e-02 -2.905166939e-01 -2.428343348e-01 4.52 1.859467547e-02 -2.802141085e-01 -2.238271457e-01 4.54 1.978389603e-02 -2.701924796e-01 -2.055215205e-01 4.56 2.092308326e-02 -2.604453687e-01 -1.879137483e-01 4.58 2.201363053e-02 -2.509665222e-01 -1.709983986e-01 4.60 2.305690333e-02 -2.417498437e-01 -1.547683070e-01 4.62 2.405423940e-02 -2.327893738e-01 -1.392145860e-01 4.64 2.500694882e-02 -2.240792753e-01 -1.243266600e-01 4.66 2.591631416e-02 -2.156138227e-01 -1.100923262e-01 4.68 2.678359064e-02 -2.073873952e-01 -9.649783673e-02 4.70 2.761000636e-02 -1.993944716e-01 -8.352800319e-02 4.72 2.839676249e-02 -1.916296270e-01 -7.116631974e-02 4.74 2.914503354e-02 -1.840875303e-01 -5.939510246e-02 4.76 2.985596762e-02 -1.767629432e-01 -4.819564211e-02 4.78 3.053068670e-02 -1.696507186e-01 -3.754836706e-02 4.80 3.117028695e-02 -1.627458001e-01 -2.743301300e-02 4.82 3.177583901e-02 -1.560432215e-01 -1.782879618e-02 4.84 3.234838835e-02 -1.495381058e-01 -8.714586909e-03 4.86 3.288895559e-02 -1.432256651e-01 -6.908002909e-05 4.88 3.339853688e-02 -1.371011997e-01 8.129040362e-03 4.90 3.387810421e-02 -1.311600976e-01 1.590094477e-02 4.92 3.421884216e-02 -1.254806324e-01 2.269178212e-02 4.94 3.299449144e-02 -1.211023714e-01 2.111225566e-02 4.96 2.662654145e-02 -1.175645316e-01 -4.038598704e-03 4.98 1.237948796e-02 -9.119411460e-02 -3.991064089e-02 5.00 -6.288820678e-23 -3.240297617e-22 -3.297095013e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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