# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Fe # implementation = 2025--Sharifi-H--Cu-Ni-Fe--LAMMPS--ipr1 # composition = Cu3Ni # 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 1.022684048e+03 nan nan 0.92 9.476022025e+02 nan nan 0.94 8.745015346e+02 nan nan 0.96 8.039931940e+02 nan nan 0.98 7.365672565e+02 1.026019987e+03 nan 1.00 6.725936183e+02 9.568565397e+02 nan 1.02 6.123291643e+02 8.905284300e+02 9.744155450e+02 1.04 5.559287359e+02 8.270433393e+02 9.154035874e+02 1.06 5.034079270e+02 7.663218417e+02 8.580731612e+02 1.08 4.542195087e+02 7.069983115e+02 8.002647015e+02 1.10 4.083732869e+02 6.493500310e+02 7.423705151e+02 1.12 3.659731856e+02 5.940162389e+02 6.853917214e+02 1.14 3.270232691e+02 5.414434369e+02 6.300884134e+02 1.16 2.914526229e+02 4.919220476e+02 5.770201669e+02 1.18 2.591356886e+02 4.456174386e+02 5.265809580e+02 1.20 2.299087670e+02 4.025961490e+02 4.790293160e+02 1.22 2.035832634e+02 3.628479197e+02 4.345142274e+02 1.24 1.799561741e+02 3.263040353e+02 3.930972116e+02 1.26 1.588182658e+02 2.928525011e+02 3.547710542e+02 1.28 1.399603361e+02 2.623504834e+02 3.194755797e+02 1.30 1.231778874e+02 2.346344017e+02 2.871108246e+02 1.32 1.082745103e+02 2.095280379e+02 2.575479675e+02 1.34 9.506421893e+01 1.868489606e+02 2.306383011e+02 1.36 8.337295261e+01 1.664135366e+02 2.062205268e+02 1.38 7.303941750e+01 1.480407687e+02 1.841266160e+02 1.40 6.391541864e+01 1.315551583e+02 1.641864492e+02 1.42 5.586580381e+01 1.167887720e+02 1.462314272e+02 1.44 4.876812008e+01 1.035826594e+02 1.300972195e+02 1.46 4.251206560e+01 9.178775151e+01 1.156257961e+02 1.48 3.699880159e+01 8.126534502e+01 1.026668663e+02 1.50 3.214018124e+01 7.188726335e+01 9.107882169e+01 1.52 2.785793377e+01 6.353577070e+01 8.072930499e+01 1.54 2.408281771e+01 5.610329871e+01 7.149547939e+01 1.56 2.075379262e+01 4.949203774e+01 6.326405416e+01 1.58 1.781721962e+01 4.361342664e+01 5.593112496e+01 1.60 1.522609955e+01 3.838750421e+01 4.940187141e+01 1.62 1.293935703e+01 3.374224238e+01 4.359015485e+01 1.64 1.092111539e+01 2.961295600e+01 3.841804650e+01 1.66 9.139897893e+00 2.594172500e+01 3.381530989e+01 1.68 7.568042943e+00 2.267683036e+01 2.971886153e+01 1.70 6.181243973e+00 1.977220939e+01 2.607222309e+01 1.72 4.958047340e+00 1.718693596e+01 2.282497805e+01 1.74 3.879427715e+00 1.488473054e+01 1.993224402e+01 1.76 2.928516580e+00 1.283350045e+01 1.735416488e+01 1.78 2.090368669e+00 1.100491257e+01 1.505542926e+01 1.80 1.351752499e+00 9.373996570e+00 1.300481882e+01 1.82 7.009626167e-01 7.918743804e+00 1.117477876e+01 1.84 1.276525208e-01 6.619686269e+00 9.540938081e+00 1.86 -3.773160385e-01 5.459548416e+00 8.081663897e+00 1.88 -8.220086872e-01 4.422998674e+00 6.777751269e+00 1.90 -1.213538453e+00 3.496437368e+00 5.612158837e+00 1.92 -1.558172904e+00 2.667807041e+00 4.569772272e+00 1.94 -1.861429734e+00 1.926422911e+00 3.637192840e+00 1.96 -2.128161983e+00 1.262821687e+00 2.802548948e+00 1.98 -2.362634014e+00 6.686301753e-01 2.055327574e+00 2.00 -2.568589196e+00 1.365702913e-01 1.386223967e+00 2.02 -2.749310166e+00 -3.396533474e-01 7.870076842e-01 2.04 -2.907671932e+00 -7.656257161e-01 2.504028205e-01 2.06 -3.046037232e+00 -1.146309354e+00 -2.300186502e-01 2.08 -3.166144829e+00 -1.486117363e+00 -6.599393616e-01 2.10 -3.269527751e+00 -1.789009689e+00 -1.044434576e+00 2.12 -3.357613563e+00 -2.058565703e+00 -1.388075209e+00 2.14 -3.431730166e+00 -2.298021561e+00 -1.694978514e+00 2.16 -3.493095126e+00 -2.510302346e+00 -1.968851407e+00 2.18 -3.542824454e+00 -2.698051229e+00 -2.213029723e+00 2.20 -3.581941419e+00 -2.863656009e+00 -2.430513923e+00 2.22 -3.611384569e+00 -3.009273215e+00 -2.624001480e+00 2.24 -3.632015026e+00 -3.136853742e+00 -2.795916224e+00 2.26 -3.644623130e+00 -3.248167087e+00 -2.948435025e+00 2.28 -3.649934485e+00 -3.344809756e+00 -3.083511662e+00 2.30 -3.648615470e+00 -3.428150204e+00 -3.202793401e+00 2.32 -3.641278253e+00 -3.499261215e+00 -3.307516587e+00 2.34 -3.628485367e+00 -3.559107719e+00 -3.398785660e+00 2.36 -3.610753873e+00 -3.608582802e+00 -3.477624691e+00 2.38 -3.588559162e+00 -3.648513268e+00 -3.544983471e+00 2.40 -3.562338419e+00 -3.679664755e+00 -3.601743104e+00 2.42 -3.532493785e+00 -3.702746434e+00 -3.648721185e+00 2.44 -3.499395239e+00 -3.718415329e+00 -3.686676550e+00 2.46 -3.463383235e+00 -3.727280291e+00 -3.716313653e+00 2.48 -3.424771102e+00 -3.729905649e+00 -3.738286615e+00 2.50 -3.383847246e+00 -3.726814572e+00 -3.753202937e+00 2.52 -3.340877152e+00 -3.718492161e+00 -3.761626939e+00 2.54 -3.296105222e+00 -3.705388299e+00 -3.764082925e+00 2.56 -3.249756454e+00 -3.687920266e+00 -3.761058095e+00 2.58 -3.202038938e+00 -3.666477726e+00 -3.753009107e+00 2.60 -3.153147618e+00 -3.641431237e+00 -3.740373979e+00 2.62 -3.103262263e+00 -3.613125450e+00 -3.723561124e+00 2.64 -3.052547787e+00 -3.581878711e+00 -3.702948027e+00 2.66 -3.001155429e+00 -3.547985081e+00 -3.678883628e+00 2.68 -2.949223849e+00 -3.511716203e+00 -3.651690520e+00 2.70 -2.896880114e+00 -3.473323013e+00 -3.621666956e+00 2.72 -2.844240611e+00 -3.433037315e+00 -3.589088715e+00 2.74 -2.791411888e+00 -3.391073230e+00 -3.554210804e+00 2.76 -2.738491414e+00 -3.347628537e+00 -3.517269037e+00 2.78 -2.685568288e+00 -3.302885897e+00 -3.478481483e+00 2.80 -2.632723878e+00 -3.257013988e+00 -3.438049803e+00 2.82 -2.580032423e+00 -3.210168553e+00 -3.396160478e+00 2.84 -2.527561572e+00 -3.162493353e+00 -3.352985948e+00 2.86 -2.475372885e+00 -3.114121065e+00 -3.308685655e+00 2.88 -2.423522301e+00 -3.065174091e+00 -3.263407010e+00 2.90 -2.372060553e+00 -3.015765319e+00 -3.217286279e+00 2.92 -2.321033569e+00 -2.965998816e+00 -3.170449407e+00 2.94 -2.270482824e+00 -2.915970474e+00 -3.123012773e+00 2.96 -2.220445678e+00 -2.865768599e+00 -3.075083890e+00 2.98 -2.170955681e+00 -2.815474467e+00 -3.026762049e+00 3.00 -2.122042855e+00 -2.765162822e+00 -2.978138919e+00 3.02 -2.073733956e+00 -2.714902354e+00 -2.929299091e+00 3.04 -2.026052717e+00 -2.664756124e+00 -2.880320592e+00 3.06 -1.979020070e+00 -2.614781971e+00 -2.831275353e+00 3.08 -1.932654357e+00 -2.565032880e+00 -2.782229644e+00 3.10 -1.886971513e+00 -2.515557329e+00 -2.733244476e+00 3.12 -1.841985255e+00 -2.466399601e+00 -2.684375972e+00 3.14 -1.797707236e+00 -2.417600087e+00 -2.635675717e+00 3.16 -1.754147206e+00 -2.369195554e+00 -2.587191067e+00 3.18 -1.711313149e+00 -2.321219400e+00 -2.538965454e+00 3.20 -1.669211417e+00 -2.273701892e+00 -2.491038654e+00 3.22 -1.627846852e+00 -2.226670379e+00 -2.443447043e+00 3.24 -1.587222898e+00 -2.180149502e+00 -2.396223831e+00 3.26 -1.547341711e+00 -2.134161377e+00 -2.349399283e+00 3.28 -1.508204254e+00 -2.088725774e+00 -2.303000917e+00 3.30 -1.469810393e+00 -2.043860278e+00 -2.257053698e+00 3.32 -1.432158977e+00 -1.999580440e+00 -2.211580209e+00 3.34 -1.395247924e+00 -1.955899923e+00 -2.166600813e+00 3.36 -1.359074290e+00 -1.912830628e+00 -2.122133806e+00 3.38 -1.323634342e+00 -1.870382821e+00 -2.078195560e+00 3.40 -1.288923625e+00 -1.828565243e+00 -2.034800647e+00 3.42 -1.254937015e+00 -1.787385222e+00 -1.991961968e+00 3.44 -1.221668786e+00 -1.746848767e+00 -1.949690862e+00 3.46 -1.189112652e+00 -1.706960666e+00 -1.907997214e+00 3.48 -1.157261828e+00 -1.667724570e+00 -1.866898504e+00 3.50 -1.126109064e+00 -1.629143073e+00 -1.826620003e+00 3.52 -1.095646701e+00 -1.591217790e+00 -1.787674325e+00 3.54 -1.065866700e+00 -1.553949428e+00 -1.749110356e+00 3.56 -1.036760688e+00 -1.517337852e+00 -1.710364435e+00 3.58 -1.008319990e+00 -1.481382145e+00 -1.672230866e+00 3.60 -9.805356628e-01 -1.446080667e+00 -1.634711725e+00 3.62 -9.533985250e-01 -1.411431114e+00 -1.597808268e+00 3.64 -9.268991876e-01 -1.377430561e+00 -1.561520989e+00 3.66 -9.010280803e-01 -1.344075516e+00 -1.525849672e+00 3.68 -8.757754767e-01 -1.311361962e+00 -1.490793440e+00 3.70 -8.511315185e-01 -1.279285400e+00 -1.456350807e+00 3.72 -8.270862373e-01 -1.247840888e+00 -1.422519717e+00 3.74 -8.036295752e-01 -1.217023078e+00 -1.389297586e+00 3.76 -7.807514042e-01 -1.186826250e+00 -1.356681346e+00 3.78 -7.584415445e-01 -1.157244347e+00 -1.324667475e+00 3.80 -7.366897808e-01 -1.128271000e+00 -1.293252033e+00 3.82 -7.154858781e-01 -1.099899565e+00 -1.262430700e+00 3.84 -6.948195963e-01 -1.072123142e+00 -1.232198795e+00 3.86 -6.746807039e-01 -1.044934604e+00 -1.202551318e+00 3.88 -6.550589902e-01 -1.018326620e+00 -1.173482965e+00 3.90 -6.359442772e-01 -9.922916794e-01 -1.144988160e+00 3.92 -6.173264304e-01 -9.668221078e-01 -1.117061077e+00 3.94 -5.991953689e-01 -9.419100913e-01 -1.089695663e+00 3.96 -5.815410743e-01 -9.175476927e-01 -1.062885656e+00 3.98 -5.643535996e-01 -8.937268693e-01 -1.036624610e+00 4.00 -5.476230770e-01 -8.704394886e-01 -1.010905910e+00 4.02 -5.310603769e-01 -8.476773441e-01 -9.857227879e-01 4.04 -5.108646935e-01 -8.254321687e-01 -9.610683451e-01 4.06 -4.787604045e-01 -8.036956487e-01 -9.369355626e-01 4.08 -4.420991436e-01 -7.824594357e-01 -9.133173179e-01 4.10 -4.286812901e-01 -7.617151585e-01 -8.902063983e-01 4.12 -4.161565279e-01 -7.414544340e-01 -8.675955144e-01 4.14 -4.039645436e-01 -7.216688772e-01 -8.454773115e-01 4.16 -3.920980008e-01 -7.023501106e-01 -8.238443818e-01 4.18 -3.805496534e-01 -6.834897735e-01 -8.026892750e-01 4.20 -3.693123490e-01 -6.650795296e-01 -7.820045083e-01 4.22 -3.583790307e-01 -6.471110753e-01 -7.617825761e-01 4.24 -3.477427397e-01 -6.295761463e-01 -7.420159588e-01 4.26 -3.373966171e-01 -6.123225135e-01 -7.226971315e-01 4.28 -3.273339059e-01 -5.924655477e-01 -7.038185718e-01 4.30 -3.175479520e-01 -5.621204854e-01 -6.853727669e-01 4.32 -3.080322058e-01 -5.184200929e-01 -6.673522209e-01 4.34 -2.987802234e-01 -4.958708499e-01 -6.497494611e-01 4.36 -2.897856669e-01 -4.826075394e-01 -6.325570443e-01 4.38 -2.810423058e-01 -4.696668246e-01 -6.157675620e-01 4.40 -2.722015370e-01 -4.570421535e-01 -5.993736461e-01 4.42 -2.571631678e-01 -4.447270539e-01 -5.833679737e-01 4.44 -2.191461465e-01 -4.327151358e-01 -5.677432717e-01 4.46 -1.444762756e-01 -4.210000920e-01 -5.524923210e-01 4.48 -1.043078710e-01 -4.095756995e-01 -5.376079603e-01 4.50 -1.012738386e-01 -3.984358208e-01 -5.230830901e-01 4.52 -9.832647143e-02 -3.875744045e-01 -5.089106758e-01 4.54 -9.546334921e-02 -3.769854860e-01 -4.950837510e-01 4.56 -9.268211679e-02 -3.666631886e-01 -4.815954202e-01 4.58 -8.998048245e-02 -3.566017233e-01 -4.684388614e-01 4.60 -8.735621632e-02 -3.467953898e-01 -4.556073286e-01 4.62 -8.480714895e-02 -3.372385767e-01 -4.430941540e-01 4.64 -8.233116973e-02 -3.279257613e-01 -4.308927498e-01 4.66 -7.992622551e-02 -3.188515100e-01 -4.189966101e-01 4.68 -7.759031907e-02 -3.100104784e-01 -4.073993124e-01 4.70 -7.532150777e-02 -3.013974109e-01 -3.960945192e-01 4.72 -7.311790211e-02 -2.930071410e-01 -3.850759792e-01 4.74 -7.097766440e-02 -2.848345905e-01 -3.743375280e-01 4.76 -6.889900742e-02 -2.768747696e-01 -3.638730895e-01 4.78 -6.688019306e-02 -2.691227764e-01 -3.536766769e-01 4.80 -6.491953112e-02 -2.615737965e-01 -3.437423924e-01 4.82 -6.301537799e-02 -2.542231025e-01 -3.340644289e-01 4.84 -6.116613544e-02 -2.470660534e-01 -3.246370696e-01 4.86 -5.937024946e-02 -2.400980942e-01 -3.154546888e-01 4.88 -5.762620900e-02 -2.333147550e-01 -3.065117517e-01 4.90 -5.593254493e-02 -2.267116505e-01 -2.978028147e-01 4.92 -5.415511098e-02 -2.197863320e-01 -2.887038624e-01 4.94 -5.063918246e-02 -2.062985802e-01 -2.714466037e-01 4.96 -4.127865421e-02 -1.703350016e-01 -2.258566525e-01 4.98 -2.159887848e-02 -9.211982375e-02 -1.246709789e-01 5.00 -1.909694538e-23 -7.040110870e-23 -6.564758038e-23 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 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00