# 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 = Cu3Fe # 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 -4.917960012e+02 nan nan 0.96 -4.620897682e+02 nan nan 0.98 -4.335821748e+02 nan nan 1.00 -4.064954156e+02 nan nan 1.02 -3.807185099e+02 nan nan 1.04 -3.561251321e+02 -4.744721098e+02 nan 1.06 -3.331213692e+02 -4.481698520e+02 -4.910630200e+02 1.08 -3.125576550e+02 -4.233081172e+02 -4.629458528e+02 1.10 -2.934570319e+02 -3.996688896e+02 -4.347469368e+02 1.12 -2.758312671e+02 -3.761544527e+02 -4.074828932e+02 1.14 -2.591090469e+02 -3.526182259e+02 -3.820440889e+02 1.16 -2.443397798e+02 -3.301569978e+02 -3.590158804e+02 1.18 -2.305121468e+02 -3.089139854e+02 -3.381273254e+02 1.20 -2.172090278e+02 -2.903271064e+02 -3.195262199e+02 1.22 -2.037581519e+02 -2.746482494e+02 -3.035753384e+02 1.24 -1.907272075e+02 -2.603923075e+02 -2.888860748e+02 1.26 -1.782983078e+02 -2.464865419e+02 -2.748931444e+02 1.28 -1.667935140e+02 -2.340757786e+02 -2.608491337e+02 1.30 -1.562922829e+02 -2.222611377e+02 -2.468576652e+02 1.32 -1.462888678e+02 -2.107621754e+02 -2.334960480e+02 1.34 -1.363159918e+02 -1.990430706e+02 -2.203695717e+02 1.36 -1.268424615e+02 -1.878476975e+02 -2.080227351e+02 1.38 -1.175799050e+02 -1.773560181e+02 -1.967116708e+02 1.40 -1.083354407e+02 -1.681728097e+02 -1.860579034e+02 1.42 -9.923035688e+01 -1.594094008e+02 -1.760227616e+02 1.44 -9.071044078e+01 -1.504793114e+02 -1.665585461e+02 1.46 -8.299304585e+01 -1.416883545e+02 -1.582491028e+02 1.48 -7.541659790e+01 -1.326190238e+02 -1.507366033e+02 1.50 -6.755210835e+01 -1.237813959e+02 -1.434769479e+02 1.52 -5.925668330e+01 -1.154352808e+02 -1.356847907e+02 1.54 -5.128794858e+01 -1.075239968e+02 -1.269737600e+02 1.56 -4.355611326e+01 -9.969940201e+01 -1.180645526e+02 1.58 -3.628374454e+01 -9.160786714e+01 -1.090132356e+02 1.60 -2.931880786e+01 -8.283545277e+01 -1.002077123e+02 1.62 -2.250269407e+01 -7.324910839e+01 -9.162637663e+01 1.64 -1.610217247e+01 -6.341698521e+01 -8.312777108e+01 1.66 -1.047949946e+01 -5.411820561e+01 -7.460983688e+01 1.68 -6.450286664e+00 -4.541373663e+01 -6.685043353e+01 1.70 -3.640355022e+00 -3.746784369e+01 -5.907694185e+01 1.72 -1.963405355e+00 -3.027986805e+01 -5.162743416e+01 1.74 -1.044737244e+00 -2.405891641e+01 -4.465556392e+01 1.76 -5.656488414e-01 -1.882744418e+01 -3.804327556e+01 1.78 -3.823519338e-01 -1.426501894e+01 -3.183136444e+01 1.80 -3.693555845e-01 -1.032534970e+01 -2.592128916e+01 1.82 -4.674243596e-01 -6.958658676e+00 -2.057323781e+01 1.84 -6.646988371e-01 -4.486069655e+00 -1.579019465e+01 1.86 -9.358562206e-01 -2.730751036e+00 -1.164246744e+01 1.88 -1.262259248e+00 -1.577970400e+00 -8.103756325e+00 1.90 -1.612133512e+00 -8.763944765e-01 -5.273320769e+00 1.92 -1.944847137e+00 -4.748622774e-01 -3.253563648e+00 1.94 -2.227942452e+00 -2.674759988e-01 -1.947964097e+00 1.96 -2.480485895e+00 -2.044048895e-01 -1.153581561e+00 1.98 -2.658143352e+00 -2.621648268e-01 -7.282719957e-01 2.00 -2.791690617e+00 -4.406859706e-01 -5.877439976e-01 2.02 -2.897503987e+00 -7.201301942e-01 -6.433248601e-01 2.04 -2.986591486e+00 -1.051055769e+00 -7.566002533e-01 2.06 -3.068585070e+00 -1.421481202e+00 -8.865186502e-01 2.08 -3.145095595e+00 -1.803678246e+00 -1.007220154e+00 2.10 -3.213649658e+00 -2.164774910e+00 -1.131218820e+00 2.12 -3.270143259e+00 -2.471918282e+00 -1.282408349e+00 2.14 -3.326228596e+00 -2.728199722e+00 -1.480021389e+00 2.16 -3.370537702e+00 -2.900332099e+00 -1.705910257e+00 2.18 -3.411090381e+00 -3.014867649e+00 -1.948412750e+00 2.20 -3.452411854e+00 -3.093650496e+00 -2.189277039e+00 2.22 -3.486106954e+00 -3.155891048e+00 -2.413491206e+00 2.24 -3.524728524e+00 -3.213371150e+00 -2.612824075e+00 2.26 -3.554056946e+00 -3.269003375e+00 -2.784070809e+00 2.28 -3.577583458e+00 -3.320672541e+00 -2.969857010e+00 2.30 -3.594106220e+00 -3.369625097e+00 -3.121459604e+00 2.32 -3.603295111e+00 -3.418151779e+00 -3.259888214e+00 2.34 -3.604816156e+00 -3.478545781e+00 -3.384562845e+00 2.36 -3.598620087e+00 -3.522287045e+00 -3.494058380e+00 2.38 -3.584834848e+00 -3.554047791e+00 -3.586423302e+00 2.40 -3.563447924e+00 -3.585964859e+00 -3.659258815e+00 2.42 -3.534462992e+00 -3.599330191e+00 -3.710458228e+00 2.44 -3.498147369e+00 -3.604308609e+00 -3.739552160e+00 2.46 -3.455511443e+00 -3.602995473e+00 -3.752190851e+00 2.48 -3.408402648e+00 -3.596580040e+00 -3.750278557e+00 2.50 -3.358919831e+00 -3.585770598e+00 -3.742873518e+00 2.52 -3.308787303e+00 -3.571219596e+00 -3.736876848e+00 2.54 -3.259092363e+00 -3.553937516e+00 -3.735547232e+00 2.56 -3.213088956e+00 -3.534829263e+00 -3.737702501e+00 2.58 -3.167682121e+00 -3.514558893e+00 -3.740163109e+00 2.60 -3.123691455e+00 -3.495915986e+00 -3.738596022e+00 2.62 -3.087209047e+00 -3.476609552e+00 -3.727893165e+00 2.64 -3.052934417e+00 -3.457987367e+00 -3.705371502e+00 2.66 -3.024889707e+00 -3.440165278e+00 -3.671891621e+00 2.68 -3.004026534e+00 -3.422879929e+00 -3.628592167e+00 2.70 -2.993616166e+00 -3.405636244e+00 -3.594115050e+00 2.72 -2.970589210e+00 -3.387873645e+00 -3.547030536e+00 2.74 -2.923059656e+00 -3.369066487e+00 -3.498130093e+00 2.76 -2.843523830e+00 -3.348810018e+00 -3.448996717e+00 2.78 -2.731080159e+00 -3.326687751e+00 -3.401176177e+00 2.80 -2.589957184e+00 -3.302013775e+00 -3.356003691e+00 2.82 -2.427981779e+00 -3.273994786e+00 -3.314696539e+00 2.84 -2.256938425e+00 -3.241980639e+00 -3.278139270e+00 2.86 -2.092959363e+00 -3.205951422e+00 -3.246869613e+00 2.88 -1.945089060e+00 -3.166708864e+00 -3.221031938e+00 2.90 -1.815932489e+00 -3.125202557e+00 -3.200279667e+00 2.92 -1.703570870e+00 -3.081957666e+00 -3.181314970e+00 2.94 -1.603446085e+00 -3.037181375e+00 -3.158994823e+00 2.96 -1.509881941e+00 -2.990960125e+00 -3.131066447e+00 2.98 -1.416947285e+00 -2.943289408e+00 -3.097915331e+00 3.00 -1.319913877e+00 -2.895875032e+00 -3.064078208e+00 3.02 -1.215293378e+00 -2.849261371e+00 -3.031282342e+00 3.04 -1.102405382e+00 -2.798707082e+00 -2.997977840e+00 3.06 -9.836848791e-01 -2.742798419e+00 -2.966139424e+00 3.08 -8.635085293e-01 -2.678988104e+00 -2.934267853e+00 3.10 -7.468172756e-01 -2.604466708e+00 -2.899145386e+00 3.12 -6.376737443e-01 -2.516011447e+00 -2.856446746e+00 3.14 -5.382689823e-01 -2.437214177e+00 -2.801260693e+00 3.16 -4.487190392e-01 -2.334428691e+00 -2.728720799e+00 3.18 -3.675969843e-01 -2.220067168e+00 -2.634866681e+00 3.20 -2.925122176e-01 -2.093770882e+00 -2.517207255e+00 3.22 -2.389328929e-01 -1.954999156e+00 -2.375333610e+00 3.24 -1.792457169e-01 -1.804078320e+00 -2.211964453e+00 3.26 -1.219012563e-01 -1.645905941e+00 -2.033710592e+00 3.28 -6.544913117e-02 -1.486571834e+00 -1.850066014e+00 3.30 -8.685499890e-03 -1.330967838e+00 -1.669018407e+00 3.32 4.938106804e-02 -1.182559980e+00 -1.495727971e+00 3.34 9.442628405e-02 -1.043278626e+00 -1.332561363e+00 3.36 1.488305560e-01 -9.138941649e-01 -1.179797124e+00 3.38 2.040613687e-01 -7.943411597e-01 -1.036559604e+00 3.40 2.604292714e-01 -6.838689583e-01 -9.014679089e-01 3.42 3.182132225e-01 -5.813878919e-01 -7.728695571e-01 3.44 3.776309424e-01 -4.858873945e-01 -6.489736523e-01 3.46 4.387099279e-01 -3.965798684e-01 -5.279472640e-01 3.48 5.035569562e-01 -3.128846101e-01 -4.791335449e-01 3.50 5.677484202e-01 -2.343497726e-01 -3.957291173e-01 3.52 6.322825737e-01 -1.605661317e-01 -3.205352290e-01 3.54 6.964943914e-01 -9.110479051e-02 -2.529771488e-01 3.56 7.596592528e-01 -2.548660771e-02 -1.924709070e-01 3.58 8.209960141e-01 3.681223750e-02 -1.384254177e-01 3.60 8.796710998e-01 9.634201867e-02 -9.024137250e-02 3.62 9.348033662e-01 1.536711629e-01 -4.730921170e-02 3.64 9.854690517e-01 2.093763704e-01 -9.015612832e-03 3.66 1.030704791e+00 2.640185183e-01 2.523767060e-02 3.68 1.069521028e+00 3.068042920e-01 5.606001496e-02 3.70 1.100914171e+00 3.539700861e-01 8.408296444e-02 3.72 1.123905451e+00 3.990942567e-01 1.099687701e-01 3.74 1.137557951e+00 4.421870986e-01 1.344052791e-01 3.76 1.140962884e+00 4.832034862e-01 1.581018607e-01 3.78 1.133254787e+00 5.220358628e-01 1.817826943e-01 3.80 1.113573608e+00 5.585057606e-01 2.061726123e-01 3.82 1.080229656e+00 5.923540667e-01 2.319731691e-01 3.84 1.031238394e+00 6.232292111e-01 2.598272716e-01 3.86 9.652071828e-01 6.506711171e-01 2.902353987e-01 3.88 8.812846960e-01 6.741092572e-01 3.232239622e-01 3.90 7.791652278e-01 6.929588684e-01 3.585272011e-01 3.92 6.590831833e-01 7.066646920e-01 3.957658887e-01 3.94 5.217603895e-01 7.147051897e-01 4.344839920e-01 3.96 3.683540947e-01 7.165845019e-01 4.741311458e-01 3.98 2.003985927e-01 7.118405942e-01 5.140779370e-01 4.00 2.540623343e-02 7.000545359e-01 5.536487027e-01 4.02 -1.882867089e-02 6.808596560e-01 5.921505593e-01 4.04 3.145203227e-01 6.539508269e-01 6.288978402e-01 4.06 1.238703955e+00 6.190937738e-01 6.632294515e-01 4.08 2.924738452e+00 5.761347337e-01 6.945199198e-01 4.10 5.501239794e+00 5.250096164e-01 7.221835515e-01 4.12 9.053960213e+00 4.657531616e-01 7.456704327e-01 4.14 1.362585854e+01 3.985024007e-01 7.644570597e-01 4.16 1.921774625e+01 3.230762747e-01 7.780483909e-01 4.18 2.578941966e+01 2.388339464e-01 7.859892913e-01 4.20 3.326153950e+01 1.455596045e-01 7.878747974e-01 4.22 4.151792744e+01 4.352460187e-02 7.833540099e-01 4.24 5.040878473e+01 -6.653597721e-02 7.721506794e-01 4.26 5.975439995e+01 -1.687001073e-01 7.391722064e-01 4.28 6.934946343e+01 -1.820120582e-01 7.065185930e-01 4.30 7.896815462e+01 -2.543022746e-02 6.643672099e-01 4.32 8.836954629e+01 3.576273316e-01 6.123423784e-01 4.34 9.730327954e+01 9.983793227e-01 5.501488227e-01 4.36 1.055153012e+02 1.902809754e+00 4.775815443e-01 4.38 1.127536526e+02 3.052933048e+00 3.945347510e-01 4.40 1.187773040e+02 4.409251439e+00 3.010116126e-01 4.42 1.233652677e+02 5.914474607e+00 1.971308453e-01 4.44 1.263254664e+02 7.498357670e+00 8.313606106e-02 4.46 1.275041554e+02 9.083623883e+00 -4.059993459e-02 4.48 1.267954525e+02 1.059254217e+01 -1.452676379e-01 4.50 1.241505553e+02 1.195381888e+01 -7.587883926e-02 4.52 1.195863676e+02 1.310988296e+01 3.396732851e-01 4.54 1.131922636e+02 1.402978732e+01 1.247442205e+00 4.56 1.051348652e+02 1.471351797e+01 2.766500040e+00 4.58 9.565888154e+01 1.518484868e+01 4.988160388e+00 4.60 8.508298577e+01 1.548650433e+01 7.976209949e+00 4.62 7.378989265e+01 1.567681876e+01 1.176751045e+01 4.64 6.220872359e+01 1.582390952e+01 1.637235173e+01 4.66 5.079045287e+01 1.599933047e+01 2.177499098e+01 4.68 3.999180215e+01 1.627234782e+01 2.793446423e+01 4.70 3.023119167e+01 1.670516208e+01 3.478573456e+01 4.72 2.181975251e+01 1.734899886e+01 4.224101431e+01 4.74 1.493415036e+01 1.824088059e+01 5.019152907e+01 4.76 9.607347921e+00 1.940052425e+01 5.850947395e+01 4.78 5.739307367e+00 2.082741406e+01 6.705021534e+01 4.80 3.126562112e+00 2.249870455e+01 7.565505952e+01 4.82 1.505472034e+00 2.436849870e+01 8.415410998e+01 4.84 5.996454325e-01 2.636943557e+01 9.236950285e+01 4.86 1.603937829e-01 2.841696557e+01 1.001191642e+02 4.88 -7.916532901e-03 3.041569911e+01 1.072206385e+02 4.90 -4.414839528e-02 3.226732744e+01 1.134955158e+02 4.92 -2.226247901e-02 3.387836339e+01 1.187739528e+02 4.94 1.289198571e-02 3.516704841e+01 1.228996904e+02 4.96 4.391287026e-02 3.606832110e+01 1.257352045e+02 4.98 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