# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Onat-B-Durukanoglu-S--Cu-Ni # implementation = 2013--Onat-B--Cu-Ni--LAMMPS--ipr2 # 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 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 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 4.425121255e+01 nan nan 1.02 4.176154303e+01 nan nan 1.04 3.960856062e+01 nan nan 1.06 3.774941132e+01 nan nan 1.08 3.616082944e+01 nan nan 1.10 3.481842667e+01 4.268787562e+01 nan 1.12 3.368308371e+01 4.051558669e+01 4.387613385e+01 1.14 3.273718547e+01 3.863382272e+01 4.162041354e+01 1.16 3.197007973e+01 3.700429439e+01 3.964180391e+01 1.18 3.136129182e+01 3.559486828e+01 3.792219754e+01 1.20 3.089516579e+01 3.437574262e+01 3.641981737e+01 1.22 3.053235638e+01 3.332166734e+01 3.510241680e+01 1.24 2.997837462e+01 3.243833325e+01 3.395614698e+01 1.26 2.879451638e+01 3.170711540e+01 3.298014668e+01 1.28 2.737249524e+01 3.110534152e+01 3.215395040e+01 1.30 2.584957353e+01 3.063053027e+01 3.147576165e+01 1.32 2.427093554e+01 3.027227676e+01 3.093196974e+01 1.34 2.267933671e+01 2.991381095e+01 3.050358895e+01 1.36 2.109983221e+01 2.922143018e+01 3.018353853e+01 1.38 1.954242840e+01 2.804568586e+01 2.984178190e+01 1.40 1.802241592e+01 2.674083471e+01 2.917792631e+01 1.42 1.655366109e+01 2.534990141e+01 2.803585881e+01 1.44 1.513896985e+01 2.390225805e+01 2.676276246e+01 1.46 1.378498767e+01 2.243260886e+01 2.540168188e+01 1.48 1.250044959e+01 2.096740885e+01 2.399093589e+01 1.50 1.128239876e+01 1.952301379e+01 2.256507634e+01 1.52 1.012625639e+01 1.811199408e+01 2.114100658e+01 1.54 9.028406234e+00 1.673719956e+01 1.973398177e+01 1.56 7.993033138e+00 1.540903553e+01 1.835466001e+01 1.58 7.019304213e+00 1.413862621e+01 1.701666514e+01 1.60 6.102828985e+00 1.292592382e+01 1.572316187e+01 1.62 5.239252850e+00 1.177016874e+01 1.447616413e+01 1.64 4.427639525e+00 1.066955219e+01 1.327564333e+01 1.66 3.672310753e+00 9.620488921e+00 1.212371308e+01 1.68 2.968998571e+00 8.621333237e+00 1.102689759e+01 1.70 2.313492408e+00 7.674783630e+00 9.983344710e+00 1.72 1.701561877e+00 6.781178696e+00 8.990001005e+00 1.74 1.128699408e+00 5.937234175e+00 8.043309943e+00 1.76 5.951356173e-01 5.140252412e+00 7.138760959e+00 1.78 1.037338143e-01 4.390526919e+00 6.276459156e+00 1.80 -3.479836150e-01 3.684852595e+00 5.464267597e+00 1.82 -7.630264613e-01 3.019308315e+00 4.700528226e+00 1.84 -1.144428709e+00 2.389825171e+00 3.982321035e+00 1.86 -1.494911973e+00 1.795258134e+00 3.307730658e+00 1.88 -1.816492243e+00 1.238631157e+00 2.677057188e+00 1.90 -2.111628011e+00 7.232997601e-01 2.087101947e+00 1.92 -2.377558769e+00 2.470408300e-01 1.534666605e+00 1.94 -2.615761483e+00 -1.928679655e-01 1.018867020e+00 1.96 -2.828638743e+00 -5.987226746e-01 5.396731140e-01 1.98 -3.018351892e+00 -9.717974574e-01 9.423742920e-02 2.00 -3.187002565e+00 -1.313606937e+00 -3.200701537e-01 2.02 -3.336644434e+00 -1.626546183e+00 -7.052828860e-01 2.04 -3.469295189e+00 -1.912853497e+00 -1.062518264e+00 2.06 -3.586950392e+00 -2.174734101e+00 -1.391605632e+00 2.08 -3.691516836e+00 -2.414371608e+00 -1.695160026e+00 2.10 -3.782012120e+00 -2.633961533e+00 -1.975495831e+00 2.12 -3.858380769e+00 -2.835889310e+00 -2.235135867e+00 2.14 -3.922057173e+00 -3.020236824e+00 -2.474015881e+00 2.16 -3.973229637e+00 -3.185570284e+00 -2.690372845e+00 2.18 -4.012954386e+00 -3.333340646e+00 -2.885667112e+00 2.20 -4.042395455e+00 -3.465240772e+00 -3.061628248e+00 2.22 -4.062639078e+00 -3.582816253e+00 -3.219811055e+00 2.24 -4.074656895e+00 -3.687397294e+00 -3.361677959e+00 2.26 -4.079234082e+00 -3.779959528e+00 -3.488569714e+00 2.28 -4.076657605e+00 -3.860503173e+00 -3.601555986e+00 2.30 -4.067242106e+00 -3.928281792e+00 -3.701498361e+00 2.32 -4.052772562e+00 -3.984668770e+00 -3.789772609e+00 2.34 -4.034004831e+00 -4.030668665e+00 -3.867655272e+00 2.36 -4.010620936e+00 -4.067246249e+00 -3.936413081e+00 2.38 -3.981165720e+00 -4.095332336e+00 -3.997334147e+00 2.40 -3.945439098e+00 -4.115831433e+00 -4.052049222e+00 2.42 -3.903854282e+00 -4.129636279e+00 -4.099925701e+00 2.44 -3.856819490e+00 -4.137656498e+00 -4.138460798e+00 2.46 -3.804703747e+00 -4.140952314e+00 -4.166948908e+00 2.48 -3.747811113e+00 -4.139451617e+00 -4.186498910e+00 2.50 -3.686380499e+00 -4.132428774e+00 -4.197733438e+00 2.52 -3.622468985e+00 -4.120720007e+00 -4.201243012e+00 2.54 -3.557134855e+00 -4.104697348e+00 -4.197585458e+00 2.56 -3.490505599e+00 -4.083489037e+00 -4.187285456e+00 2.58 -3.422849869e+00 -4.056421543e+00 -4.171093257e+00 2.60 -3.354416968e+00 -4.024162878e+00 -4.150028549e+00 2.62 -3.285437482e+00 -3.987058311e+00 -4.124404789e+00 2.64 -3.216124401e+00 -3.945414354e+00 -4.094030667e+00 2.66 -3.146674153e+00 -3.899500108e+00 -4.059228188e+00 2.68 -3.077265032e+00 -3.849590168e+00 -4.020392435e+00 2.70 -3.008293594e+00 -3.795974861e+00 -3.977855575e+00 2.72 -2.940226712e+00 -3.738848912e+00 -3.931924093e+00 2.74 -2.873130474e+00 -3.679068093e+00 -3.882895164e+00 2.76 -2.806683403e+00 -3.618391850e+00 -3.831127128e+00 2.78 -2.740932225e+00 -3.556731513e+00 -3.776885440e+00 2.80 -2.675171163e+00 -3.493861848e+00 -3.720421964e+00 2.82 -2.610083856e+00 -3.429936613e+00 -3.662634289e+00 2.84 -2.545991434e+00 -3.365128596e+00 -3.605505157e+00 2.86 -2.482954888e+00 -3.299572493e+00 -3.548400249e+00 2.88 -2.420754595e+00 -3.233384730e+00 -3.490579921e+00 2.90 -2.359051956e+00 -3.166663428e+00 -3.431389894e+00 2.92 -2.297949446e+00 -3.099488707e+00 -3.371217910e+00 2.94 -2.237469398e+00 -3.031992610e+00 -3.310202333e+00 2.96 -2.177623766e+00 -2.964559487e+00 -3.248463449e+00 2.98 -2.118416870e+00 -2.897305090e+00 -3.186106708e+00 3.00 -2.060003762e+00 -2.830302488e+00 -3.123221198e+00 3.02 -2.002493464e+00 -2.763614184e+00 -3.059998952e+00 3.04 -1.945898097e+00 -2.697292615e+00 -2.996784342e+00 3.06 -1.890225217e+00 -2.631619057e+00 -2.933683913e+00 3.08 -1.835477916e+00 -2.567127724e+00 -2.870785892e+00 3.10 -1.781655050e+00 -2.504010701e+00 -2.808170501e+00 3.12 -1.728751457e+00 -2.442321253e+00 -2.745910385e+00 3.14 -1.676757571e+00 -2.382137820e+00 -2.684076847e+00 3.16 -1.625636784e+00 -2.323564142e+00 -2.623139308e+00 3.18 -1.575302319e+00 -2.266674798e+00 -2.563440360e+00 3.20 -1.525714094e+00 -2.211319616e+00 -2.504953612e+00 3.22 -1.476607407e+00 -2.157318561e+00 -2.447303337e+00 3.24 -1.427734354e+00 -2.104541675e+00 -2.390140866e+00 3.26 -1.379261262e+00 -2.053163838e+00 -2.333584589e+00 3.28 -1.332217180e+00 -2.003402568e+00 -2.277654436e+00 3.30 -1.286680052e+00 -1.955398172e+00 -2.222363186e+00 3.32 -1.242571796e+00 -1.909218941e+00 -2.167717879e+00 3.34 -1.199879307e+00 -1.864315984e+00 -2.113719761e+00 3.36 -1.158587589e+00 -1.820134298e+00 -2.060481620e+00 3.38 -1.118855962e+00 -1.776033505e+00 -2.008102524e+00 3.40 -1.081041712e+00 -1.732156458e+00 -1.956593989e+00 3.42 -1.045178974e+00 -1.688483223e+00 -1.905965011e+00 3.44 -1.010825725e+00 -1.644979589e+00 -1.856222290e+00 3.46 -9.774940737e-01 -1.601605134e+00 -1.807370417e+00 3.48 -9.452896778e-01 -1.558312830e+00 -1.759412069e+00 3.50 -9.142341832e-01 -1.515048546e+00 -1.712348183e+00 3.52 -8.843561708e-01 -1.471751799e+00 -1.666178129e+00 3.54 -8.554507664e-01 -1.428401835e+00 -1.620899860e+00 3.56 -8.273573085e-01 -1.385518836e+00 -1.576510075e+00 3.58 -8.000556690e-01 -1.343258075e+00 -1.533004362e+00 3.60 -7.735393406e-01 -1.301790970e+00 -1.490377336e+00 3.62 -7.478043816e-01 -1.261183300e+00 -1.448622847e+00 3.64 -7.228310952e-01 -1.221365632e+00 -1.407752080e+00 3.66 -6.985346188e-01 -1.182305142e+00 -1.367934736e+00 3.68 -6.748828466e-01 -1.144260945e+00 -1.329757890e+00 3.70 -6.518584400e-01 -1.107373411e+00 -1.292911858e+00 3.72 -6.294437135e-01 -1.071642343e+00 -1.256739433e+00 3.74 -6.076206256e-01 -1.037068521e+00 -1.220983427e+00 3.76 -5.863707626e-01 -1.003654010e+00 -1.185707987e+00 3.78 -5.656753217e-01 -9.714023564e-01 -1.150940227e+00 3.80 -5.455150837e-01 -9.403188043e-01 -1.116961904e+00 3.82 -5.258703864e-01 -9.104105106e-01 -1.083797105e+00 3.84 -5.067210862e-01 -8.816867495e-01 -1.051435195e+00 3.86 -4.880465182e-01 -8.541482365e-01 -1.019865165e+00 3.88 -4.698254452e-01 -8.277106030e-01 -9.890756438e-01 3.90 -4.520360002e-01 -8.023614497e-01 -9.590549428e-01 3.92 -4.346556188e-01 -7.780906603e-01 -9.297910967e-01 3.94 -4.176609598e-01 -7.545957559e-01 -9.012719020e-01 3.96 -4.010277724e-01 -7.316117997e-01 -8.734849510e-01 3.98 -3.847380955e-01 -7.091955115e-01 -8.464176672e-01 4.00 -3.688316151e-01 -6.873371652e-01 -8.200573327e-01 4.02 -3.533036392e-01 -6.660224542e-01 -7.943911207e-01 4.04 -3.381326869e-01 -6.452368165e-01 -7.694061177e-01 4.06 -3.232985664e-01 -6.249654308e-01 -7.450893510e-01 4.08 -3.088961940e-01 -6.051932044e-01 -7.214278083e-01 4.10 -2.950143089e-01 -5.859047634e-01 -6.984084611e-01 4.12 -2.816163338e-01 -5.670844340e-01 -6.760182799e-01 4.14 -2.686806787e-01 -5.487162256e-01 -6.542442546e-01 4.16 -2.561942789e-01 -5.307838063e-01 -6.330734071e-01 4.18 -2.441443724e-01 -5.132704772e-01 -6.124928077e-01 4.20 -2.325185057e-01 -4.961591411e-01 -5.924895848e-01 4.22 -2.213045098e-01 -4.794322655e-01 -5.730509386e-01 4.24 -2.104905120e-01 -4.630718422e-01 -5.541641492e-01 4.26 -2.000649443e-01 -4.470593395e-01 -5.358165853e-01 4.28 -1.900165256e-01 -4.313756476e-01 -5.179957109e-01 4.30 -1.803342693e-01 -4.160010574e-01 -5.006890920e-01 4.32 -1.710074827e-01 -4.009151851e-01 -4.838844006e-01 4.34 -1.620257668e-01 -3.861368888e-01 -4.675694170e-01 4.36 -1.533790140e-01 -3.716799310e-01 -4.517320322e-01 4.38 -1.450574070e-01 -3.575261744e-01 -4.363602472e-01 4.40 -1.370514180e-01 -3.436578595e-01 -4.214421728e-01 4.42 -1.293518083e-01 -3.301225726e-01 -4.069660588e-01 4.44 -1.219496294e-01 -3.170159592e-01 -3.929193726e-01 4.46 -1.148362184e-01 -3.043440221e-01 -3.793156948e-01 4.48 -1.080031989e-01 -2.920786371e-01 -3.661457635e-01 4.50 -1.014424451e-01 -2.802076588e-01 -3.533974399e-01 4.52 -9.514616649e-02 -2.687206359e-01 -3.410560825e-01 4.54 -8.910690035e-02 -2.576073608e-01 -3.290772503e-01 4.56 -8.331729758e-02 -2.468578612e-01 -3.174351315e-01 4.58 -7.777045315e-02 -2.364623968e-01 -3.061654584e-01 4.60 -7.245978398e-02 -2.264114629e-01 -2.952480433e-01 4.62 -6.737865526e-02 -2.166957858e-01 -2.846724385e-01 4.64 -6.252135408e-02 -2.073063242e-01 -2.744293865e-01 4.66 -5.788153392e-02 -1.982342701e-01 -2.645098022e-01 4.68 -5.345432294e-02 -1.894710487e-01 -2.549047981e-01 4.70 -4.923371077e-02 -1.810083154e-01 -2.456056675e-01 4.72 -4.521554385e-02 -1.728379552e-01 -2.366038948e-01 4.74 -4.139456275e-02 -1.649520817e-01 -2.278911576e-01 4.76 -3.776654257e-02 -1.573430375e-01 -2.194593192e-01 4.78 -3.432816871e-02 -1.500033949e-01 -2.113004267e-01 4.80 -3.107390399e-02 -1.429259534e-01 -2.034067120e-01 4.82 -2.800185805e-02 -1.361037364e-01 -1.957705898e-01 4.84 -2.510770506e-02 -1.295299694e-01 -1.883846567e-01 4.86 -2.238771760e-02 -1.231981330e-01 -1.812416887e-01 4.88 -1.984422874e-02 -1.171019354e-01 -1.743346410e-01 4.90 -1.747483723e-02 -1.112352245e-01 -1.676566468e-01 4.92 -1.527249664e-02 -1.055921871e-01 -1.612010125e-01 4.94 -1.323581110e-02 -1.001671803e-01 -1.549611972e-01 4.96 -1.137057123e-02 -9.495464550e-02 -1.489308353e-01 4.98 -9.670995844e-03 -8.994958933e-02 -1.431037644e-01 5.00 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