# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--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 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 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 nan nan nan 0.92 nan nan nan 0.94 -3.886745551e+02 nan nan 0.96 -3.648628859e+02 nan nan 0.98 -3.417652897e+02 nan nan 1.00 -3.198224597e+02 nan nan 1.02 -2.991576589e+02 nan nan 1.04 -2.796245747e+02 -3.742354019e+02 nan 1.06 -2.614699154e+02 -3.533942499e+02 -3.874854754e+02 1.08 -2.454715691e+02 -3.336860219e+02 -3.653668015e+02 1.10 -2.306327691e+02 -3.149210891e+02 -3.428191572e+02 1.12 -2.169360919e+02 -2.960292972e+02 -3.209626101e+02 1.14 -2.038686262e+02 -2.768513948e+02 -3.007752606e+02 1.16 -1.926634638e+02 -2.586172910e+02 -2.827681259e+02 1.18 -1.824033782e+02 -2.416727081e+02 -2.666326623e+02 1.20 -1.726166618e+02 -2.274399513e+02 -2.524732939e+02 1.22 -1.624817143e+02 -2.161174680e+02 -2.406221375e+02 1.24 -1.524371354e+02 -2.060911321e+02 -2.297123914e+02 1.26 -1.425412877e+02 -1.959695047e+02 -2.191681314e+02 1.28 -1.332145921e+02 -1.867616040e+02 -2.082653668e+02 1.30 -1.246779658e+02 -1.776704397e+02 -1.970825341e+02 1.32 -1.164892614e+02 -1.685657881e+02 -1.862357987e+02 1.34 -1.081834043e+02 -1.590132785e+02 -1.754092629e+02 1.36 -1.002614913e+02 -1.497878597e+02 -1.652327658e+02 1.38 -9.238564499e+01 -1.411158859e+02 -1.559134434e+02 1.40 -8.437206916e+01 -1.337226891e+02 -1.471010433e+02 1.42 -7.637434490e+01 -1.267042327e+02 -1.388055973e+02 1.44 -6.888239098e+01 -1.195036162e+02 -1.309873179e+02 1.46 -6.213821762e+01 -1.123952748e+02 -1.242687443e+02 1.48 -5.551188997e+01 -1.049369175e+02 -1.183218727e+02 1.50 -4.858460081e+01 -9.758887668e+01 -1.126041396e+02 1.52 -4.122542109e+01 -9.060344707e+01 -1.063161998e+02 1.54 -3.420821304e+01 -8.394418781e+01 -9.903774006e+01 1.56 -2.746272522e+01 -7.730201675e+01 -9.146537852e+01 1.58 -2.120589776e+01 -7.032597821e+01 -8.365586194e+01 1.60 -1.525589737e+01 -6.258845699e+01 -7.601526783e+01 1.62 -9.763132101e+00 -5.395148740e+01 -6.857744346e+01 1.64 -5.846770735e+00 -4.497964420e+01 -6.125630718e+01 1.66 -3.102158891e+00 -3.649485110e+01 -5.396934358e+01 1.68 -1.171063845e+00 -2.851809727e+01 -4.746147623e+01 1.70 -5.910851927e-02 -2.125128489e+01 -4.093522497e+01 1.72 4.184583814e-01 -1.472892548e+01 -3.467152273e+01 1.74 5.112381913e-01 -9.224343188e+00 -2.881410910e+01 1.76 3.968142205e-01 -5.214541592e+00 -2.321477629e+01 1.78 1.641858491e-01 -2.701826305e+00 -1.794566107e+01 1.80 -1.140831481e-01 -1.156402106e+00 -1.293177549e+01 1.82 -3.951627515e-01 -1.858619440e-01 -8.401100739e+00 1.84 -6.746857899e-01 3.867098218e-01 -4.609582937e+00 1.86 -9.702628611e-01 6.764870046e-01 -2.018939331e+00 1.88 -1.284120091e+00 7.446779540e-01 -3.934230701e-01 1.90 -1.596777805e+00 6.621371415e-01 4.758910187e-01 1.92 -1.892185611e+00 4.914142465e-01 8.894114169e-01 1.94 -2.157278763e+00 2.718524991e-01 9.991050739e-01 1.96 -2.401850671e+00 2.081027071e-02 9.145862454e-01 1.98 -2.597641038e+00 -2.545594356e-01 7.053482597e-01 2.00 -2.757188785e+00 -5.576011301e-01 4.083456955e-01 2.02 -2.885911678e+00 -8.852820057e-01 5.909849284e-02 2.04 -2.989604377e+00 -1.221189126e+00 -2.851465418e-01 2.06 -3.076823662e+00 -1.563551516e+00 -6.067747995e-01 2.08 -3.152235699e+00 -1.902883382e+00 -8.961684213e-01 2.10 -3.217451922e+00 -2.225727185e+00 -1.162501463e+00 2.12 -3.274266223e+00 -2.515604046e+00 -1.419978560e+00 2.14 -3.329161393e+00 -2.775375063e+00 -1.679005481e+00 2.16 -3.377980089e+00 -2.978385166e+00 -1.932986989e+00 2.18 -3.423393275e+00 -3.135755993e+00 -2.177383855e+00 2.20 -3.469590983e+00 -3.255894124e+00 -2.404672088e+00 2.22 -3.509399502e+00 -3.347337750e+00 -2.609627150e+00 2.24 -3.542004235e+00 -3.416026328e+00 -2.791673131e+00 2.26 -3.569820978e+00 -3.463493076e+00 -2.951912999e+00 2.28 -3.590483845e+00 -3.490439635e+00 -3.114012516e+00 2.30 -3.603267477e+00 -3.504621916e+00 -3.250484425e+00 2.32 -3.608314836e+00 -3.515735279e+00 -3.372285846e+00 2.34 -3.605975817e+00 -3.536728590e+00 -3.479229558e+00 2.36 -3.597007165e+00 -3.554219417e+00 -3.570918681e+00 2.38 -3.582185572e+00 -3.572379659e+00 -3.646641185e+00 2.40 -3.561908483e+00 -3.593436137e+00 -3.705274793e+00 2.42 -3.536228177e+00 -3.609076546e+00 -3.745720140e+00 2.44 -3.505220502e+00 -3.620380802e+00 -3.768249522e+00 2.46 -3.469365118e+00 -3.626955938e+00 -3.776923809e+00 2.48 -3.429600448e+00 -3.628257878e+00 -3.776181675e+00 2.50 -3.387121083e+00 -3.624646147e+00 -3.772115920e+00 2.52 -3.342956180e+00 -3.616831597e+00 -3.767448182e+00 2.54 -3.297689303e+00 -3.605180305e+00 -3.762259972e+00 2.56 -3.253780605e+00 -3.590100305e+00 -3.755571480e+00 2.58 -3.206388916e+00 -3.572059307e+00 -3.745924119e+00 2.60 -3.155095154e+00 -3.552586541e+00 -3.731663367e+00 2.62 -3.099975584e+00 -3.531290615e+00 -3.711958250e+00 2.64 -3.041675835e+00 -3.509221514e+00 -3.687169378e+00 2.66 -2.981294060e+00 -3.486849637e+00 -3.657683132e+00 2.68 -2.919404816e+00 -3.464224295e+00 -3.623724138e+00 2.70 -2.861905599e+00 -3.441103554e+00 -3.591319716e+00 2.72 -2.800333710e+00 -3.417119484e+00 -3.553200107e+00 2.74 -2.738262653e+00 -3.391894538e+00 -3.512805695e+00 2.76 -2.676541918e+00 -3.365169199e+00 -3.470611303e+00 2.78 -2.616373607e+00 -3.336734857e+00 -3.427046636e+00 2.80 -2.559244515e+00 -3.306275730e+00 -3.382562293e+00 2.82 -2.506982921e+00 -3.273390976e+00 -3.337689675e+00 2.84 -2.460422148e+00 -3.237677911e+00 -3.292897309e+00 2.86 -2.418934671e+00 -3.198994188e+00 -3.248621365e+00 2.88 -2.380753363e+00 -3.157525968e+00 -3.205258591e+00 2.90 -2.343713429e+00 -3.113125366e+00 -3.163157552e+00 2.92 -2.305781744e+00 -3.065169144e+00 -3.122545707e+00 2.94 -2.265472595e+00 -3.013016329e+00 -3.083366504e+00 2.96 -2.222008841e+00 -2.956212046e+00 -3.045655689e+00 2.98 -2.175117253e+00 -2.894403391e+00 -3.009288702e+00 3.00 -2.127082345e+00 -2.828751381e+00 -2.974909082e+00 3.02 -2.077203882e+00 -2.760247733e+00 -2.942771901e+00 3.04 -2.025134945e+00 -2.686790789e+00 -2.910697537e+00 3.06 -1.972426618e+00 -2.610669750e+00 -2.879454468e+00 3.08 -1.919655396e+00 -2.533019895e+00 -2.848126493e+00 3.10 -1.867185659e+00 -2.454673749e+00 -2.814999294e+00 3.12 -1.815152216e+00 -2.376290891e+00 -2.777915609e+00 3.14 -1.763460123e+00 -2.315551307e+00 -2.734553589e+00 3.16 -1.711785218e+00 -2.251033246e+00 -2.682809801e+00 3.18 -1.659657627e+00 -2.192623998e+00 -2.621250757e+00 3.20 -1.606372378e+00 -2.140878276e+00 -2.549454974e+00 3.22 -1.569291867e+00 -2.095613748e+00 -2.468314407e+00 3.24 -1.522548914e+00 -2.055982132e+00 -2.379977050e+00 3.26 -1.476104437e+00 -2.020599930e+00 -2.287271390e+00 3.28 -1.429728348e+00 -1.987701652e+00 -2.193031317e+00 3.30 -1.383206549e+00 -1.955365463e+00 -2.099622425e+00 3.32 -1.336338242e+00 -1.921788093e+00 -2.008701161e+00 3.34 -1.292071457e+00 -1.885557764e+00 -1.921199162e+00 3.36 -1.245778060e+00 -1.845923403e+00 -1.837468596e+00 3.38 -1.199183470e+00 -1.802870372e+00 -1.757504627e+00 3.40 -1.152191237e+00 -1.756962383e+00 -1.681090894e+00 3.42 -1.104705042e+00 -1.709114676e+00 -1.607869646e+00 3.44 -1.056641006e+00 -1.660401623e+00 -1.537373001e+00 3.46 -1.007967653e+00 -1.611840412e+00 -1.469042873e+00 3.48 -9.573774948e-01 -1.564227017e+00 -1.431765062e+00 3.50 -9.069931182e-01 -1.518053638e+00 -1.382214553e+00 3.52 -8.560582836e-01 -1.473499814e+00 -1.338004027e+00 3.54 -8.046583608e-01 -1.430478105e+00 -1.299083882e+00 3.56 -7.528850656e-01 -1.388711556e+00 -1.265358908e+00 3.58 -7.008367520e-01 -1.347827746e+00 -1.236687873e+00 3.60 -6.486186330e-01 -1.307423261e+00 -1.212880399e+00 3.62 -5.963426362e-01 -1.267077662e+00 -1.193691218e+00 3.64 -5.441287151e-01 -1.226365406e+00 -1.178820791e+00 3.66 -4.921087999e-01 -1.184892828e+00 -1.167926320e+00 3.68 -4.404220756e-01 -1.153652776e+00 -1.160583933e+00 3.70 -3.892126384e-01 -1.115971207e+00 -1.156250787e+00 3.72 -3.386020435e-01 -1.078466364e+00 -1.154218295e+00 3.74 -2.886841436e-01 -1.041044249e+00 -1.153659560e+00 3.76 -2.395591234e-01 -1.003608974e+00 -1.153654419e+00 3.78 -1.913574346e-01 -9.660629442e-01 -1.153221114e+00 3.80 -1.442380261e-01 -9.283073390e-01 -1.151368869e+00 3.82 -9.982875999e-02 -8.902419700e-01 -1.147166719e+00 3.84 -6.161143613e-02 -8.517656717e-01 -1.139818626e+00 3.86 -3.242369035e-02 -8.127899376e-01 -1.128747379e+00 3.88 -1.428621165e-02 -7.733452620e-01 -1.113779829e+00 3.90 -8.354396927e-03 -7.335262211e-01 -1.095064368e+00 3.92 -1.490047238e-02 -6.934315492e-01 -1.072944790e+00 3.94 -3.335609195e-02 -6.531535385e-01 -1.047880092e+00 3.96 -6.237139216e-02 -6.127695977e-01 -1.020381985e+00 3.98 -9.989658365e-02 -5.723578640e-01 -9.909493881e-01 4.00 -1.430940402e-01 -5.319986674e-01 -9.600144958e-01 4.02 -1.841458394e-01 -4.917746922e-01 -9.279122129e-01 4.04 -2.111554600e-01 -4.517706282e-01 -8.948697964e-01 4.06 -2.132987221e-01 -4.120729529e-01 -8.610131898e-01 4.08 -1.813334365e-01 -3.727698530e-01 -8.263836721e-01 4.10 -1.078394192e-01 -3.339508757e-01 -7.909610742e-01 4.12 1.252741668e-02 -2.957066175e-01 -7.546901599e-01 4.14 1.828068132e-01 -2.581202078e-01 -7.175049581e-01 4.16 4.035490112e-01 -2.212615243e-01 -6.793380737e-01 4.18 6.726984278e-01 -1.855416827e-01 -6.401207694e-01 4.20 9.855853924e-01 -1.526505846e-01 -5.997889705e-01 4.22 1.335047865e+00 -1.242040887e-01 -5.583106407e-01 4.24 1.711740291e+00 -1.013203209e-01 -5.156625818e-01 4.26 2.104604765e+00 -8.409631613e-02 -4.800787864e-01 4.28 2.501376606e+00 -6.988438898e-02 -4.387415532e-01 4.30 2.889676337e+00 -5.557946906e-02 -3.971684434e-01 4.32 3.258036214e+00 -3.851679438e-02 -3.554640501e-01 4.34 3.596488404e+00 -1.656397270e-02 -3.137338685e-01 4.36 3.896829893e+00 1.180570587e-02 -2.720843471e-01 4.38 4.152539277e+00 4.746317532e-02 -2.306220592e-01 4.40 4.358408457e+00 9.060109843e-02 -1.894539550e-01 4.42 4.510093120e+00 1.407449182e-01 -1.486861403e-01 4.44 4.603782351e+00 1.967996185e-01 -1.084244416e-01 4.46 4.636159986e+00 2.571383987e-01 -6.877336625e-02 4.48 4.604670192e+00 3.195667035e-01 -2.885047656e-02 4.50 4.507981544e+00 3.809359488e-01 1.595483278e-02 4.52 4.346514525e+00 4.379896195e-01 6.845957255e-02 4.54 4.122909348e+00 4.879582887e-01 1.304787206e-01 4.56 3.842342948e+00 5.288834058e-01 2.034683837e-01 4.58 3.512665412e+00 5.596730221e-01 2.885005704e-01 4.60 3.144350843e+00 5.801534470e-01 3.862444555e-01 4.62 2.750221797e+00 5.910574171e-01 4.969599175e-01 4.64 2.344874633e+00 5.939230242e-01 6.204977106e-01 4.66 1.943833476e+00 5.909064011e-01 7.563021903e-01 4.68 1.562982223e+00 5.845380568e-01 9.034191213e-01 4.70 1.217006188e+00 5.774524475e-01 1.060510416e+00 4.72 9.169445035e-01 5.721235753e-01 1.225871165e+00 4.74 6.692160832e-01 5.706356038e-01 1.397455396e+00 4.76 4.752739957e-01 5.745002840e-01 1.572906102e+00 4.78 3.319506577e-01 5.845416134e-01 1.749602738e+00 4.80 2.324717384e-01 6.008458903e-01 1.924705977e+00 4.82 1.679445190e-01 6.227769449e-01 2.095190303e+00 4.84 1.289905250e-01 6.490638212e-01 2.257897088e+00 4.86 1.071352077e-01 6.779631705e-01 2.409596786e+00 4.88 9.567465341e-02 7.074639649e-01 2.547055999e+00 4.90 8.742198146e-02 7.355103383e-01 2.667112049e+00 4.92 8.404221297e-02 7.601976432e-01 2.766753534e+00 4.94 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