# 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 = CoNi3 # 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 -3.646400641e+02 nan nan 0.96 -3.409130719e+02 nan nan 0.98 -3.194473528e+02 nan nan 1.00 -2.998327760e+02 nan nan 1.02 -2.818113983e+02 nan nan 1.04 -2.652198884e+02 -3.507261642e+02 nan 1.06 -2.497983940e+02 -3.307440811e+02 -3.611875724e+02 1.08 -2.352524358e+02 -3.122692449e+02 -3.407229734e+02 1.10 -2.213915419e+02 -2.950070660e+02 -3.213653736e+02 1.12 -2.082379407e+02 -2.785991310e+02 -3.030792381e+02 1.14 -1.958473757e+02 -2.628831290e+02 -2.859148189e+02 1.16 -1.843238616e+02 -2.479140622e+02 -2.699046231e+02 1.18 -1.736767058e+02 -2.337283594e+02 -2.550359596e+02 1.20 -1.638818121e+02 -2.204896756e+02 -2.413983685e+02 1.22 -1.546323509e+02 -2.082946304e+02 -2.290351926e+02 1.24 -1.456598716e+02 -1.970891289e+02 -2.176227784e+02 1.26 -1.367857456e+02 -1.867243636e+02 -2.069057011e+02 1.28 -1.279700419e+02 -1.772040299e+02 -1.966306471e+02 1.30 -1.192645302e+02 -1.682679701e+02 -1.866991976e+02 1.32 -1.107327624e+02 -1.597719973e+02 -1.771429094e+02 1.34 -1.023326290e+02 -1.515660749e+02 -1.679083754e+02 1.36 -9.413850469e+01 -1.436185558e+02 -1.590358874e+02 1.38 -8.622535184e+01 -1.358747346e+02 -1.505113189e+02 1.40 -7.855351883e+01 -1.283715889e+02 -1.422905202e+02 1.42 -7.113434948e+01 -1.209759510e+02 -1.343782161e+02 1.44 -6.398236896e+01 -1.136135429e+02 -1.267528265e+02 1.46 -5.718981564e+01 -1.062754746e+02 -1.194053429e+02 1.48 -5.068445916e+01 -9.888017407e+01 -1.122571659e+02 1.50 -4.446567656e+01 -9.146474236e+01 -1.052595081e+02 1.52 -3.852012171e+01 -8.408047707e+01 -9.834574171e+01 1.54 -3.288044742e+01 -7.676870791e+01 -9.146944669e+01 1.56 -2.758309690e+01 -6.955818185e+01 -8.468566719e+01 1.58 -2.264753708e+01 -6.248611226e+01 -7.799291697e+01 1.60 -1.805038665e+01 -5.557599408e+01 -7.143404978e+01 1.62 -1.372711199e+01 -4.884941154e+01 -6.500582642e+01 1.64 -9.616925037e+00 -4.238228998e+01 -5.869837278e+01 1.66 -6.297388836e+00 -3.628817835e+01 -5.252039198e+01 1.68 -3.971829619e+00 -3.057416660e+01 -4.655721624e+01 1.70 -2.458036255e+00 -2.524634194e+01 -4.074435371e+01 1.72 -1.560176997e+00 -2.029288122e+01 -3.512294853e+01 1.74 -1.103876446e+00 -1.572795648e+01 -2.973568104e+01 1.76 -9.549730685e-01 -1.155490602e+01 -2.460596625e+01 1.78 -1.001932613e+00 -7.887926523e+00 -1.977778662e+01 1.80 -1.168194364e+00 -5.215263162e+00 -1.526954814e+01 1.82 -1.398851693e+00 -3.371698774e+00 -1.111404769e+01 1.84 -1.653794182e+00 -2.152080887e+00 -7.483834942e+00 1.86 -1.909739818e+00 -1.396677041e+00 -4.852479329e+00 1.88 -2.156142873e+00 -9.809388563e-01 -3.060760629e+00 1.90 -2.389063775e+00 -8.059362925e-01 -1.890485113e+00 1.92 -2.610072153e+00 -7.955472149e-01 -1.166026224e+00 1.94 -2.821766573e+00 -8.962691219e-01 -7.599688021e-01 1.96 -3.009030663e+00 -1.070785928e+00 -5.798200712e-01 1.98 -3.183960309e+00 -1.291769438e+00 -5.592508014e-01 2.00 -3.341248112e+00 -1.533334406e+00 -6.444225931e-01 2.02 -3.482810307e+00 -1.778689863e+00 -7.977514678e-01 2.04 -3.612594186e+00 -2.028171977e+00 -1.007590538e+00 2.06 -3.731049719e+00 -2.272535740e+00 -1.253476955e+00 2.08 -3.838801270e+00 -2.509630024e+00 -1.521890410e+00 2.10 -3.936368145e+00 -2.738873920e+00 -1.799053531e+00 2.12 -4.024431623e+00 -2.960837583e+00 -2.073402080e+00 2.14 -4.092953064e+00 -3.157520205e+00 -2.333384002e+00 2.16 -4.156859225e+00 -3.349324342e+00 -2.583224496e+00 2.18 -4.211781089e+00 -3.525294827e+00 -2.820714017e+00 2.20 -4.250301406e+00 -3.681287467e+00 -3.045369116e+00 2.22 -4.282050372e+00 -3.814480794e+00 -3.256909640e+00 2.24 -4.291450784e+00 -3.926132645e+00 -3.456698378e+00 2.26 -4.293966665e+00 -4.018106760e+00 -3.646015423e+00 2.28 -4.284387406e+00 -4.092818232e+00 -3.792723457e+00 2.30 -4.263679192e+00 -4.153698254e+00 -3.934859233e+00 2.32 -4.233268089e+00 -4.204992264e+00 -4.056549136e+00 2.34 -4.194714895e+00 -4.231710430e+00 -4.157624723e+00 2.36 -4.149608336e+00 -4.261730506e+00 -4.239013267e+00 2.38 -4.099328643e+00 -4.288669023e+00 -4.302712898e+00 2.40 -4.044827331e+00 -4.294944097e+00 -4.351392691e+00 2.42 -3.986387493e+00 -4.305622144e+00 -4.387810743e+00 2.44 -3.924192409e+00 -4.311021197e+00 -4.414659366e+00 2.46 -3.858523059e+00 -4.310827731e+00 -4.428715852e+00 2.48 -3.789725829e+00 -4.305569434e+00 -4.437533627e+00 2.50 -3.718515184e+00 -4.295971332e+00 -4.438902359e+00 2.52 -3.645709836e+00 -4.281948321e+00 -4.432600550e+00 2.54 -3.571956920e+00 -4.263030560e+00 -4.418202629e+00 2.56 -3.494973778e+00 -4.238797943e+00 -4.395852187e+00 2.58 -3.418868086e+00 -4.208957141e+00 -4.366241030e+00 2.60 -3.342866099e+00 -4.170697326e+00 -4.330461351e+00 2.62 -3.262897642e+00 -4.127600356e+00 -4.289861533e+00 2.64 -3.185420664e+00 -4.078590274e+00 -4.245939318e+00 2.66 -3.108462487e+00 -4.024064997e+00 -4.200299859e+00 2.68 -3.031380200e+00 -3.964378553e+00 -4.154639338e+00 2.70 -2.948743463e+00 -3.899916064e+00 -4.092259907e+00 2.72 -2.866341307e+00 -3.831143368e+00 -4.038891009e+00 2.74 -2.781010942e+00 -3.758574860e+00 -3.985277216e+00 2.76 -2.692155220e+00 -3.682802935e+00 -3.931457735e+00 2.78 -2.599237549e+00 -3.604616565e+00 -3.876925907e+00 2.80 -2.502119636e+00 -3.525084336e+00 -3.821183368e+00 2.82 -2.401060770e+00 -3.445311916e+00 -3.763766930e+00 2.84 -2.296829756e+00 -3.366219899e+00 -3.704251352e+00 2.86 -2.191181047e+00 -3.288373365e+00 -3.642379595e+00 2.88 -2.085892132e+00 -3.211854442e+00 -3.578077796e+00 2.90 -1.982395695e+00 -3.136351763e+00 -3.511416744e+00 2.92 -1.881751502e+00 -3.061282956e+00 -3.442566650e+00 2.94 -1.784581687e+00 -2.985618268e+00 -3.371762807e+00 2.96 -1.691115262e+00 -2.908412147e+00 -3.299304489e+00 2.98 -1.601485599e+00 -2.829084139e+00 -3.225604715e+00 3.00 -1.514265285e+00 -2.745736886e+00 -3.148266514e+00 3.02 -1.430468749e+00 -2.658070508e+00 -3.067205241e+00 3.04 -1.350826369e+00 -2.569266376e+00 -2.985786117e+00 3.06 -1.274746060e+00 -2.478228073e+00 -2.901788429e+00 3.08 -1.202283385e+00 -2.385405015e+00 -2.815263414e+00 3.10 -1.133548395e+00 -2.291174141e+00 -2.726243006e+00 3.12 -1.068646919e+00 -2.196179138e+00 -2.634854285e+00 3.14 -1.007650229e+00 -2.091830848e+00 -2.541209347e+00 3.16 -9.506254746e-01 -1.993242062e+00 -2.445313206e+00 3.18 -8.976946732e-01 -1.895908177e+00 -2.347053750e+00 3.20 -8.489825799e-01 -1.800649097e+00 -2.246388607e+00 3.22 -7.966977523e-01 -1.708079510e+00 -2.144311944e+00 3.24 -7.521014940e-01 -1.618701725e+00 -2.041914373e+00 3.26 -7.105825116e-01 -1.532921624e+00 -1.940066938e+00 3.28 -6.720379975e-01 -1.451052366e+00 -1.839555486e+00 3.30 -6.363470395e-01 -1.373303368e+00 -1.741098835e+00 3.32 -6.033709814e-01 -1.299760706e+00 -1.645351291e+00 3.34 -5.711840359e-01 -1.230366582e+00 -1.552900595e+00 3.36 -5.420930016e-01 -1.164945554e+00 -1.464265500e+00 3.38 -5.148502548e-01 -1.103217758e+00 -1.379879615e+00 3.40 -4.892195896e-01 -1.044854529e+00 -1.300066908e+00 3.42 -4.649623532e-01 -9.896267660e-01 -1.225092701e+00 3.44 -4.418638345e-01 -9.373241980e-01 -1.155186057e+00 3.46 -4.197717630e-01 -8.877600699e-01 -1.090551472e+00 3.48 -3.994731562e-01 -8.407862043e-01 -1.019641873e+00 3.50 -3.796377410e-01 -7.962935289e-01 -9.596844376e-01 3.52 -3.607281986e-01 -7.542044590e-01 -9.035038726e-01 3.54 -3.426918501e-01 -7.144622851e-01 -8.509724068e-01 3.56 -3.254766906e-01 -6.770199030e-01 -8.019571780e-01 3.58 -3.090315404e-01 -6.418310960e-01 -7.563223744e-01 3.60 -2.933058615e-01 -6.088454761e-01 -7.139310102e-01 3.62 -2.782499449e-01 -5.780086610e-01 -6.746460490e-01 3.64 -2.638145163e-01 -5.492686208e-01 -6.383264231e-01 3.66 -2.499509597e-01 -5.226070167e-01 -6.048164654e-01 3.68 -2.366109352e-01 -4.940421253e-01 -5.739591187e-01 3.70 -2.237469446e-01 -4.693579640e-01 -5.455956056e-01 3.72 -2.113113531e-01 -4.460759394e-01 -5.195545346e-01 3.74 -1.992565989e-01 -4.241058782e-01 -4.956636680e-01 3.76 -1.875462248e-01 -4.033583201e-01 -4.737533948e-01 3.78 -1.761895159e-01 -3.837445788e-01 -4.536558360e-01 3.80 -1.652086199e-01 -3.651767923e-01 -4.352028128e-01 3.82 -1.546259126e-01 -3.475678298e-01 -4.182221544e-01 3.84 -1.444641017e-01 -3.308313490e-01 -4.025332588e-01 3.86 -1.347465916e-01 -3.148860712e-01 -3.879498069e-01 3.88 -1.255002225e-01 -2.996877383e-01 -3.743260789e-01 3.90 -1.167427707e-01 -2.852108298e-01 -3.615300205e-01 3.92 -1.084594486e-01 -2.714300692e-01 -3.494303106e-01 3.94 -1.006287074e-01 -2.583209045e-01 -3.379401194e-01 3.96 -9.322872087e-02 -2.458598267e-01 -3.269849251e-01 3.98 -8.623739542e-02 -2.340230546e-01 -3.164938729e-01 4.00 -7.963215849e-02 -2.227861238e-01 -3.064019378e-01 4.02 -7.339032626e-02 -2.121238988e-01 -2.966508270e-01 4.04 -6.748882685e-02 -2.020105431e-01 -2.871886479e-01 4.06 -6.190468328e-02 -1.924196112e-01 -2.779688398e-01 4.08 -5.661578781e-02 -1.833237599e-01 -2.689482342e-01 4.10 -5.160010314e-02 -1.746949755e-01 -2.600860964e-01 4.12 -4.683557500e-02 -1.665041512e-01 -2.513422970e-01 4.14 -4.230036931e-02 -1.587079810e-01 -2.426764556e-01 4.16 -3.797380799e-02 -1.512407869e-01 -2.340476613e-01 4.18 -3.383686046e-02 -1.440341196e-01 -2.254143821e-01 4.20 -2.987468460e-02 -1.370261500e-01 -2.167457800e-01 4.22 -2.608377049e-02 -1.301950081e-01 -2.080716412e-01 4.24 -2.246848983e-02 -1.235317363e-01 -1.994418501e-01 4.26 -1.903952521e-02 -1.170266397e-01 -1.887657574e-01 4.28 -1.580094733e-02 -1.106691029e-01 -1.794552279e-01 4.30 -1.275406360e-02 -1.044481938e-01 -1.701093010e-01 4.32 -9.910376792e-03 -9.835235205e-02 -1.607525045e-01 4.34 -7.291362391e-03 -9.236969519e-02 -1.514092141e-01 4.36 -4.926534579e-03 -8.648847166e-02 -1.421040123e-01 4.38 -2.849423436e-03 -8.069712768e-02 -1.328612371e-01 4.40 -1.091750085e-03 -7.498496817e-02 -1.237053062e-01 4.42 3.236984234e-04 -6.934257551e-02 -1.146604586e-01 4.44 1.390210388e-03 -6.376249774e-02 -1.057509444e-01 4.46 2.123261050e-03 -5.824023594e-02 -9.700099262e-02 4.48 2.561512978e-03 -5.277505462e-02 -8.843475497e-02 4.50 2.784060583e-03 -4.737104351e-02 -8.007625573e-02 4.52 2.893087410e-03 -4.203835018e-02 -7.194947962e-02 4.54 2.954501621e-03 -3.679490795e-02 -6.407849764e-02 4.56 3.013819377e-03 -3.166694812e-02 -5.648765519e-02 4.58 3.108339541e-03 -2.668844188e-02 -4.920092110e-02 4.60 3.264753990e-03 -2.190061198e-02 -4.224192757e-02 4.62 3.498518574e-03 -1.735030702e-02 -3.563374048e-02 4.64 3.814682024e-03 -1.308761940e-02 -2.939892850e-02 4.66 4.209238028e-03 -9.162156116e-03 -2.355956504e-02 4.68 4.670846166e-03 -5.618884294e-03 -1.813713951e-02 4.70 5.181314399e-03 -2.493393674e-03 -1.315266894e-02 4.72 5.714237205e-03 1.919898555e-04 -8.626646123e-03 4.74 6.233970299e-03 2.431153729e-03 -4.578930166e-03 4.76 6.695894754e-03 4.235761058e-03 -1.027858772e-03 4.78 7.050589876e-03 5.648828033e-03 2.031838064e-03 4.80 7.246002491e-03 6.731497809e-03 4.629169160e-03 4.82 7.227773045e-03 7.527730291e-03 6.794599442e-03 4.84 6.943645076e-03 8.081662382e-03 8.559120918e-03 4.86 6.348583258e-03 8.437914896e-03 9.954472089e-03 4.88 5.408226611e-03 8.637769420e-03 1.101273257e-02 4.90 7.001016305e-03 8.717083403e-03 1.176661254e-02 4.92 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