# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1985--Foiles-S-M--Ni-Cu # implementation = 1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1 # composition = CuNi3 # 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 2022-05-24 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 4.452519702e+02 nan nan 0.82 4.168312486e+02 nan nan 0.84 3.902854980e+02 nan nan 0.86 3.653220593e+02 nan nan 0.88 3.417391371e+02 nan nan 0.90 3.193896919e+02 4.121737569e+02 nan 0.92 2.981718118e+02 3.882379664e+02 4.188740295e+02 0.94 2.780060156e+02 3.655361114e+02 3.953441676e+02 0.96 2.588516645e+02 3.439345534e+02 3.730323800e+02 0.98 2.406626387e+02 3.233208070e+02 3.517763106e+02 1.00 2.234028490e+02 3.036282065e+02 3.314913742e+02 1.02 2.070594875e+02 2.848071367e+02 3.120870901e+02 1.04 1.916128453e+02 2.668221230e+02 2.935148443e+02 1.06 1.770308534e+02 2.496507202e+02 2.757305972e+02 1.08 1.633012715e+02 2.332781629e+02 2.587097741e+02 1.10 1.503944455e+02 2.176708165e+02 2.424323762e+02 1.12 1.382907695e+02 2.028228576e+02 2.268716313e+02 1.14 1.269637131e+02 1.887188220e+02 2.120283386e+02 1.16 1.163806372e+02 1.753525868e+02 1.978881879e+02 1.18 1.065094816e+02 1.626978869e+02 1.844379801e+02 1.20 9.732374883e+01 1.507484245e+02 1.716727631e+02 1.22 8.878907193e+01 1.394828391e+02 1.595753636e+02 1.24 8.086673303e+01 1.288854363e+02 1.481355428e+02 1.26 7.353282281e+01 1.189315211e+02 1.373254180e+02 1.28 6.675331659e+01 1.095926489e+02 1.271385114e+02 1.30 6.049604695e+01 1.008490740e+02 1.175519718e+02 1.32 5.472390147e+01 9.267436757e+01 1.085475661e+02 1.34 4.940693131e+01 8.504165472e+01 1.000959153e+02 1.36 4.451930818e+01 7.792964177e+01 9.217354032e+01 1.38 4.003077096e+01 7.131127255e+01 8.476470758e+01 1.40 3.591440458e+01 6.515648777e+01 7.784043142e+01 1.42 3.214363559e+01 5.943549105e+01 7.138293697e+01 1.44 2.869095258e+01 5.412946346e+01 6.536934316e+01 1.46 2.553561709e+01 4.921508767e+01 5.977296079e+01 1.48 2.265568717e+01 4.466813170e+01 5.457270095e+01 1.50 2.002853990e+01 4.046694091e+01 4.974703626e+01 1.52 1.763594802e+01 3.659034827e+01 4.527303170e+01 1.54 1.545985141e+01 3.301664142e+01 4.112598587e+01 1.56 1.348217714e+01 2.972570596e+01 3.729057631e+01 1.58 1.168303695e+01 2.669809549e+01 3.374623418e+01 1.60 1.005198491e+01 2.391533763e+01 3.047434781e+01 1.62 8.573513792e+00 2.135449430e+01 2.745076591e+01 1.64 7.236526028e+00 1.900541246e+01 2.466526683e+01 1.66 6.029278590e+00 1.685183727e+01 2.210057072e+01 1.68 4.940944223e+00 1.487943377e+01 1.974138659e+01 1.70 3.960955936e+00 1.307477648e+01 1.757390784e+01 1.72 3.078267469e+00 1.142185186e+01 1.558353787e+01 1.74 2.286475938e+00 9.913280731e+00 1.375846900e+01 1.76 1.525493732e+00 8.537520053e+00 1.208646174e+01 1.78 8.760930201e-01 7.284271111e+00 1.055617371e+01 1.80 2.855778643e-01 6.144289404e+00 9.157087567e+00 1.82 -2.595313261e-01 5.108616132e+00 7.876981500e+00 1.84 -7.431519819e-01 4.168941159e+00 6.703840967e+00 1.86 -1.177012395e+00 3.317405274e+00 5.634904216e+00 1.88 -1.566712451e+00 2.543436296e+00 4.661086808e+00 1.90 -1.916067722e+00 1.812017391e+00 3.774883424e+00 1.92 -2.228220736e+00 1.174121276e+00 2.970589391e+00 1.94 -2.506094329e+00 5.743980626e-01 2.241704482e+00 1.96 -2.752405074e+00 4.144474113e-02 1.537069939e+00 1.98 -2.969676290e+00 -4.551889766e-01 9.323410629e-01 2.00 -3.160250435e+00 -8.976939848e-01 3.810368013e-01 2.02 -3.326301002e+00 -1.297438617e+00 -1.234350062e-01 2.04 -3.469843550e+00 -1.658907088e+00 -5.944851619e-01 2.06 -3.593572304e+00 -1.984978803e+00 -1.014774843e+00 2.08 -3.698119354e+00 -2.278831498e+00 -1.394733802e+00 2.10 -3.784405271e+00 -2.543618620e+00 -1.738572498e+00 2.12 -3.855459737e+00 -2.780571717e+00 -2.049976486e+00 2.14 -3.912878796e+00 -2.991771936e+00 -2.331223396e+00 2.16 -3.960714848e+00 -3.179246045e+00 -2.586567121e+00 2.18 -3.999505403e+00 -3.344695128e+00 -2.816689489e+00 2.20 -4.029068369e+00 -3.489759681e+00 -3.022390624e+00 2.22 -4.049791564e+00 -3.616001012e+00 -3.205728659e+00 2.24 -4.062238346e+00 -3.724874102e+00 -3.368626118e+00 2.26 -4.066928207e+00 -3.816881593e+00 -3.511996687e+00 2.28 -4.063766548e+00 -3.893992157e+00 -3.637299741e+00 2.30 -4.053972390e+00 -3.957223057e+00 -3.745896999e+00 2.32 -4.037996196e+00 -4.008024567e+00 -3.839058509e+00 2.34 -4.016278025e+00 -4.049320457e+00 -3.916735035e+00 2.36 -3.989241967e+00 -4.082310527e+00 -3.981049745e+00 2.38 -3.957296270e+00 -4.107452784e+00 -4.033356889e+00 2.40 -3.920847117e+00 -4.125199065e+00 -4.076078032e+00 2.42 -3.880829938e+00 -4.136836979e+00 -4.112230030e+00 2.44 -3.834103753e+00 -4.141829513e+00 -4.140629060e+00 2.46 -3.783989385e+00 -4.140546469e+00 -4.161681197e+00 2.48 -3.730641397e+00 -4.132859245e+00 -4.175859782e+00 2.50 -3.674736157e+00 -4.119929499e+00 -4.183663150e+00 2.52 -3.616458789e+00 -4.103662230e+00 -4.185279752e+00 2.54 -3.556081039e+00 -4.083363592e+00 -4.180714568e+00 2.56 -3.493861486e+00 -4.058443269e+00 -4.170519050e+00 2.58 -3.431731695e+00 -4.029236897e+00 -4.155271480e+00 2.60 -3.368797571e+00 -3.996643540e+00 -4.135290533e+00 2.62 -3.304591661e+00 -3.960011312e+00 -4.110884755e+00 2.64 -3.239327808e+00 -3.918497700e+00 -4.082352685e+00 2.66 -3.173204899e+00 -3.873963788e+00 -4.049982912e+00 2.68 -3.106734690e+00 -3.825759196e+00 -4.014054096e+00 2.70 -3.039806305e+00 -3.774684826e+00 -3.974834067e+00 2.72 -2.972536087e+00 -3.721403958e+00 -3.930694593e+00 2.74 -2.905090097e+00 -3.666141524e+00 -3.882839115e+00 2.76 -2.837229578e+00 -3.609112234e+00 -3.832434908e+00 2.78 -2.769456089e+00 -3.550520564e+00 -3.780895581e+00 2.80 -2.701895901e+00 -3.490560848e+00 -3.728798656e+00 2.82 -2.634656287e+00 -3.429417419e+00 -3.674832938e+00 2.84 -2.567835285e+00 -3.367264764e+00 -3.619189331e+00 2.86 -2.501548717e+00 -3.304267725e+00 -3.562143847e+00 2.88 -2.436070696e+00 -3.240581705e+00 -3.504489403e+00 2.90 -2.371248050e+00 -3.176352917e+00 -3.445645661e+00 2.92 -2.307147554e+00 -3.111718632e+00 -3.385779380e+00 2.94 -2.243829176e+00 -3.046865063e+00 -3.325048155e+00 2.96 -2.181346430e+00 -2.983477232e+00 -3.263600674e+00 2.98 -2.119747288e+00 -2.919994933e+00 -3.201576968e+00 3.00 -2.059073491e+00 -2.855961207e+00 -3.139108693e+00 3.02 -1.998922127e+00 -2.791799939e+00 -3.076319398e+00 3.04 -1.939269142e+00 -2.728007087e+00 -3.013324810e+00 3.06 -1.880615150e+00 -2.664694822e+00 -2.950236311e+00 3.08 -1.823055828e+00 -2.601759676e+00 -2.886831420e+00 3.10 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-1.820251907e+00 3.46 -9.359177438e-01 -1.534595169e+00 -1.768514479e+00 3.48 -8.997527403e-01 -1.487163076e+00 -1.717691575e+00 3.50 -8.645690667e-01 -1.440694643e+00 -1.667869093e+00 3.52 -8.303117220e-01 -1.395111952e+00 -1.619039129e+00 3.54 -7.969753640e-01 -1.350356038e+00 -1.571216891e+00 3.56 -7.645689326e-01 -1.306529620e+00 -1.524331593e+00 3.58 -7.330786246e-01 -1.263707552e+00 -1.478363457e+00 3.60 -7.023488018e-01 -1.221860766e+00 -1.433296535e+00 3.62 -6.723179949e-01 -1.180969603e+00 -1.389039952e+00 3.64 -6.431489720e-01 -1.141026029e+00 -1.345577822e+00 3.66 -6.149622894e-01 -1.102017479e+00 -1.303019280e+00 3.68 -5.878411044e-01 -1.063933944e+00 -1.261412322e+00 3.70 -5.618882405e-01 -1.026763880e+00 -1.220730589e+00 3.72 -5.371682814e-01 -9.904908266e-01 -1.180953515e+00 3.74 -5.135773910e-01 -9.551012810e-01 -1.142079910e+00 3.76 -4.906676166e-01 -9.205832467e-01 -1.104097890e+00 3.78 -4.681126444e-01 -8.869280951e-01 -1.066994230e+00 3.80 -4.456948424e-01 -8.541110095e-01 -1.030764087e+00 3.82 -4.232800098e-01 -8.221083333e-01 -9.953960384e-01 3.84 -4.007970637e-01 -7.909173998e-01 -9.608679025e-01 3.86 -3.782194336e-01 -7.605460757e-01 -9.271727637e-01 3.88 -3.555195369e-01 -7.309347760e-01 -8.943116816e-01 3.90 -3.327690770e-01 -7.019768701e-01 -8.622597782e-01 3.92 -3.101252137e-01 -6.736620438e-01 -8.309835568e-01 3.94 -2.911787669e-01 -6.461130140e-01 -8.004848197e-01 3.96 -2.726697404e-01 -6.194304946e-01 -7.707710754e-01 3.98 -2.546953200e-01 -5.936857402e-01 -7.418489292e-01 4.00 -2.373353552e-01 -5.689390418e-01 -7.135587500e-01 4.02 -2.206447504e-01 -5.453482308e-01 -6.858423237e-01 4.04 -2.046584048e-01 -5.228129744e-01 -6.588281036e-01 4.06 -1.893952905e-01 -5.009659015e-01 -6.326175490e-01 4.08 -1.748618087e-01 -4.794995794e-01 -6.072839531e-01 4.10 -1.610545452e-01 -4.582007871e-01 -5.828774689e-01 4.12 -1.479625260e-01 -4.369301125e-01 -5.594674429e-01 4.14 -1.355690556e-01 -4.156059295e-01 -5.372361803e-01 4.16 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