# 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 = Co3Cu # 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 -4.302567747e+02 nan nan 0.96 -4.030433471e+02 nan nan 0.98 -3.780527926e+02 nan nan 1.00 -3.549112995e+02 nan nan 1.02 -3.332728427e+02 nan nan 1.04 -3.130665666e+02 -4.151781577e+02 nan 1.06 -2.942240208e+02 -3.927129154e+02 -4.292444197e+02 1.08 -2.766206764e+02 -3.715438625e+02 -4.050309232e+02 1.10 -2.593044181e+02 -3.512666294e+02 -3.808538380e+02 1.12 -2.427437725e+02 -3.309182262e+02 -3.574934017e+02 1.14 -2.270467382e+02 -3.103443705e+02 -3.356644010e+02 1.16 -2.133265885e+02 -2.905861586e+02 -3.158006565e+02 1.18 -2.011269607e+02 -2.718059049e+02 -2.976815414e+02 1.20 -1.903922523e+02 -2.551340237e+02 -2.815210228e+02 1.22 -1.800987691e+02 -2.409051598e+02 -2.677149205e+02 1.24 -1.699481099e+02 -2.281252327e+02 -2.550433050e+02 1.26 -1.595866865e+02 -2.159021680e+02 -2.429939888e+02 1.28 -1.492042776e+02 -2.051604246e+02 -2.308746654e+02 1.30 -1.391801831e+02 -1.950313401e+02 -2.186958115e+02 1.32 -1.295380995e+02 -1.853048881e+02 -2.069361284e+02 1.34 -1.199661308e+02 -1.755033757e+02 -1.952814262e+02 1.36 -1.109409641e+02 -1.661569184e+02 -1.842355718e+02 1.38 -1.024333579e+02 -1.572843704e+02 -1.739444359e+02 1.40 -9.414406365e+01 -1.494136667e+02 -1.641338916e+02 1.42 -8.609398341e+01 -1.417828331e+02 -1.548891537e+02 1.44 -7.848354535e+01 -1.339858682e+02 -1.461988710e+02 1.46 -7.163897066e+01 -1.262924640e+02 -1.385669567e+02 1.48 -6.500832274e+01 -1.182593715e+02 -1.316718050e+02 1.50 -5.837015459e+01 -1.102793263e+02 -1.251094976e+02 1.52 -5.157082246e+01 -1.025837440e+02 -1.182895614e+02 1.54 -4.509345130e+01 -9.517571131e+01 -1.108668203e+02 1.56 -3.889811454e+01 -8.784623143e+01 -1.033752428e+02 1.58 -3.313004210e+01 -8.039734706e+01 -9.575140731e+01 1.60 -2.761553489e+01 -7.254464906e+01 -8.826746921e+01 1.62 -2.208075468e+01 -6.415098924e+01 -8.088471733e+01 1.64 -1.646711444e+01 -5.561899170e+01 -7.349526208e+01 1.66 -1.092946836e+01 -4.756430903e+01 -6.603548137e+01 1.68 -6.458933428e+00 -3.994342172e+01 -5.917730021e+01 1.70 -3.319805972e+00 -3.287966592e+01 -5.221606396e+01 1.72 -1.446308211e+00 -2.635908440e+01 -4.542409436e+01 1.74 -4.641058558e-01 -2.056472664e+01 -3.896678132e+01 1.76 -3.309172095e-02 -1.553014788e+01 -3.275399392e+01 1.78 5.189752917e-02 -1.099984933e+01 -2.686572539e+01 1.80 -7.690862213e-02 -7.153243608e+00 -2.126103932e+01 1.82 -3.128468605e-01 -4.342327078e+00 -1.605413000e+01 1.84 -5.981962441e-01 -2.381763130e+00 -1.106342704e+01 1.86 -9.025397734e-01 -1.074170429e+00 -6.916626407e+00 1.88 -1.210137611e+00 -2.914542422e-01 -3.854767629e+00 1.90 -1.515925275e+00 1.071719172e-01 -1.870839583e+00 1.92 -1.814258801e+00 2.455019303e-01 -6.451114810e-01 1.94 -2.099328727e+00 2.104072450e-01 3.608111290e-02 1.96 -2.363318282e+00 5.546950728e-02 3.428311670e-01 1.98 -2.605888150e+00 -1.821060282e-01 3.940792516e-01 2.00 -2.819340538e+00 -4.789028943e-01 2.652683632e-01 2.02 -3.002363199e+00 -8.124852169e-01 2.485805651e-02 2.04 -3.156039684e+00 -1.161170224e+00 -2.544064632e-01 2.06 -3.284735236e+00 -1.515875244e+00 -5.485823017e-01 2.08 -3.395035539e+00 -1.865845595e+00 -8.434770751e-01 2.10 -3.493671216e+00 -2.199924391e+00 -1.139761304e+00 2.12 -3.584536785e+00 -2.507527302e+00 -1.441070188e+00 2.14 -3.665195905e+00 -2.786366163e+00 -1.746941982e+00 2.16 -3.740051394e+00 -3.025482012e+00 -2.047140067e+00 2.18 -3.807620171e+00 -3.226578269e+00 -2.333849764e+00 2.20 -3.861108824e+00 -3.389541156e+00 -2.598572972e+00 2.22 -3.907699430e+00 -3.516111978e+00 -2.837563044e+00 2.24 -3.942896497e+00 -3.612573013e+00 -3.053473583e+00 2.26 -3.969100645e+00 -3.686121811e+00 -3.250512222e+00 2.28 -3.986080505e+00 -3.742742053e+00 -3.430390091e+00 2.30 -3.994865611e+00 -3.788039941e+00 -3.591460934e+00 2.32 -3.996158546e+00 -3.828088042e+00 -3.732016389e+00 2.34 -3.989864603e+00 -3.862065596e+00 -3.850083566e+00 2.36 -3.976145116e+00 -3.896893380e+00 -3.945342957e+00 2.38 -3.954922234e+00 -3.934102313e+00 -4.019137784e+00 2.40 -3.925781207e+00 -3.964958726e+00 -4.073975934e+00 2.42 -3.888323084e+00 -4.000261936e+00 -4.113129989e+00 2.44 -3.842506977e+00 -4.033343851e+00 -4.140596077e+00 2.46 -3.788783120e+00 -4.060681460e+00 -4.157848173e+00 2.48 -3.728110375e+00 -4.079255637e+00 -4.171118956e+00 2.50 -3.661865547e+00 -4.089218925e+00 -4.180570070e+00 2.52 -3.591412685e+00 -4.090750833e+00 -4.185452440e+00 2.54 -3.517810011e+00 -4.083936523e+00 -4.183779206e+00 2.56 -3.440529457e+00 -4.069052184e+00 -4.173945599e+00 2.58 -3.362392069e+00 -4.046537388e+00 -4.155627917e+00 2.60 -3.283514843e+00 -4.016199473e+00 -4.129822437e+00 2.62 -3.206336615e+00 -3.980158822e+00 -4.097757980e+00 2.64 -3.129648926e+00 -3.938890761e+00 -4.060769118e+00 2.66 -3.054237360e+00 -3.893287934e+00 -4.020117277e+00 2.68 -2.979708696e+00 -3.843975051e+00 -3.976957692e+00 2.70 -2.903104411e+00 -3.791383146e+00 -3.925929302e+00 2.72 -2.826901798e+00 -3.735837130e+00 -3.876839568e+00 2.74 -2.749292636e+00 -3.677625139e+00 -3.826532134e+00 2.76 -2.669765837e+00 -3.617103477e+00 -3.775132428e+00 2.78 -2.587999057e+00 -3.554664970e+00 -3.722470248e+00 2.80 -2.504228455e+00 -3.490671049e+00 -3.668386840e+00 2.82 -2.419399572e+00 -3.425383551e+00 -3.612826174e+00 2.84 -2.334950758e+00 -3.358925325e+00 -3.555751413e+00 2.86 -2.252495089e+00 -3.291284638e+00 -3.497289179e+00 2.88 -2.173447491e+00 -3.222228318e+00 -3.437717547e+00 2.90 -2.098876906e+00 -3.151617473e+00 -3.377402127e+00 2.92 -2.029371564e+00 -3.079555719e+00 -3.316743091e+00 2.94 -1.965026967e+00 -3.006261916e+00 -3.256135379e+00 2.96 -1.905511964e+00 -2.931793403e+00 -3.195941815e+00 2.98 -1.850216963e+00 -2.856164947e+00 -3.136503902e+00 3.00 -1.799274907e+00 -2.779510711e+00 -3.077622851e+00 3.02 -1.751495249e+00 -2.702211964e+00 -3.018992109e+00 3.04 -1.705624826e+00 -2.624899787e+00 -2.961294131e+00 3.06 -1.661581363e+00 -2.548145391e+00 -2.903774105e+00 3.08 -1.619050168e+00 -2.472485044e+00 -2.846082672e+00 3.10 -1.577801742e+00 -2.398308612e+00 -2.787632428e+00 3.12 -1.537662496e+00 -2.325926790e+00 -2.727782062e+00 3.14 -1.498496004e+00 -2.257734494e+00 -2.665884340e+00 3.16 -1.460231014e+00 -2.191031814e+00 -2.601367077e+00 3.18 -1.422920571e+00 -2.127196925e+00 -2.533865343e+00 3.20 -1.386688383e+00 -2.066489832e+00 -2.463451191e+00 3.22 -1.351511644e+00 -2.008989652e+00 -2.390576008e+00 3.24 -1.317930669e+00 -1.954563403e+00 -2.315616664e+00 3.26 -1.285877585e+00 -1.902861453e+00 -2.238893133e+00 3.28 -1.255338101e+00 -1.853336523e+00 -2.160899235e+00 3.30 -1.226160333e+00 -1.805309626e+00 -2.082236600e+00 3.32 -1.198060361e+00 -1.758073865e+00 -2.003521506e+00 3.34 -1.175768274e+00 -1.711014803e+00 -1.925307946e+00 3.36 -1.151653876e+00 -1.663746910e+00 -1.848049198e+00 3.38 -1.128324474e+00 -1.616178135e+00 -1.772095353e+00 3.40 -1.105433931e+00 -1.568483009e+00 -1.697688884e+00 3.42 -1.082627102e+00 -1.521051905e+00 -1.624981874e+00 3.44 -1.059571494e+00 -1.474372926e+00 -1.554038407e+00 3.46 -1.036012793e+00 -1.428924551e+00 -1.484833175e+00 3.48 -1.015713853e+00 -1.385094107e+00 -1.429014342e+00 3.50 -9.928367242e-01 -1.343131293e+00 -1.370237877e+00 3.52 -9.696973247e-01 -1.303135764e+00 -1.315433013e+00 3.54 -9.462498360e-01 -1.265072786e+00 -1.264799509e+00 3.56 -9.224465072e-01 -1.228806338e+00 -1.218486926e+00 3.58 -8.982380386e-01 -1.194142034e+00 -1.176593188e+00 3.60 -8.735730518e-01 -1.160858122e+00 -1.139163573e+00 3.62 -8.483983106e-01 -1.128713514e+00 -1.106188238e+00 3.64 -8.226564036e-01 -1.097451174e+00 -1.077588921e+00 3.66 -7.962801449e-01 -1.066819224e+00 -1.053189511e+00 3.68 -7.691986276e-01 -1.042012602e+00 -1.032739856e+00 3.70 -7.413396623e-01 -1.015030907e+00 -1.015901558e+00 3.72 -7.126480987e-01 -9.889540652e-01 -1.002207172e+00 3.74 -6.830904933e-01 -9.636672841e-01 -9.911108813e-01 3.76 -6.526467289e-01 -9.390509604e-01 -9.820111600e-01 3.78 -6.213356752e-01 -9.149805743e-01 -9.742711701e-01 3.80 -5.891908769e-01 -8.913263486e-01 -9.672477720e-01 3.82 -5.562520894e-01 -8.679531506e-01 -9.603291389e-01 3.84 -5.225659323e-01 -8.447194693e-01 -9.529729129e-01 3.86 -4.881884112e-01 -8.214861838e-01 -9.447511496e-01 3.88 -4.532012084e-01 -7.981906956e-01 -9.354672263e-01 3.90 -4.177003232e-01 -7.748121384e-01 -9.250998280e-01 3.92 -3.817756764e-01 -7.513306406e-01 -9.137277296e-01 3.94 -3.455270010e-01 -7.277299000e-01 -9.015019473e-01 3.96 -3.090680868e-01 -7.039991664e-01 -8.886013019e-01 3.98 -2.725268034e-01 -6.801299597e-01 -8.751954742e-01 4.00 -2.360457073e-01 -6.561157705e-01 -8.614185431e-01 4.02 -1.997812462e-01 -6.319524085e-01 -8.473537478e-01 4.04 -1.639036350e-01 -6.076385583e-01 -8.330293285e-01 4.06 -1.285944148e-01 -5.831762474e-01 -8.184218717e-01 4.08 -9.403524827e-02 -5.585709011e-01 -8.034642530e-01 4.10 -6.054342559e-02 -5.338321355e-01 -7.880577635e-01 4.12 -3.063482095e-02 -5.089737055e-01 -7.720841876e-01 4.14 -7.550394488e-03 -4.840061113e-01 -7.554180184e-01 4.16 7.008827111e-03 -4.589316655e-01 -7.379305279e-01 4.18 1.276246616e-02 -4.337568658e-01 -7.194894997e-01 4.20 1.060900037e-02 -4.085012855e-01 -6.999705413e-01 4.22 2.325580764e-03 -3.832298336e-01 -6.793046257e-01 4.24 -9.757363374e-03 -3.580267000e-01 -6.574383199e-01 4.26 -2.311079343e-02 -3.329821786e-01 -6.387127211e-01 4.28 -3.551395314e-02 -3.081921310e-01 -6.162988797e-01 4.30 -4.537297205e-02 -2.837582068e-01 -5.930802375e-01 4.32 -5.176370923e-02 -2.597899006e-01 -5.690762229e-01 4.34 -5.442559107e-02 -2.364313578e-01 -5.443076915e-01 4.36 -5.366258404e-02 -2.137983424e-01 -5.187970868e-01 4.38 -5.017339114e-02 -1.919758757e-01 -4.925683780e-01 4.40 -4.484924477e-02 -1.710382880e-01 -4.656473560e-01 4.42 -3.857407230e-02 -1.510646035e-01 -4.380619034e-01 4.44 -3.207792326e-02 -1.321461091e-01 -4.098419158e-01 4.46 -2.589888952e-02 -1.143844664e-01 -3.810196946e-01 4.48 -2.023482815e-02 -9.787854129e-02 -3.516298653e-01 4.50 -1.492214486e-02 -8.270102840e-02 -3.217101019e-01 4.52 -9.517723748e-03 -6.886024699e-02 -2.913004151e-01 4.54 -3.428986928e-03 -5.623063980e-02 -2.604482602e-01 4.56 3.953578642e-03 -4.464152774e-02 -2.292207552e-01 4.58 1.307533255e-02 -3.391415289e-02 -1.976943557e-01 4.60 2.406221930e-02 -2.422020813e-02 -1.659507811e-01 4.62 3.662352375e-02 -1.588050153e-02 -1.340777034e-01 4.64 5.003324868e-02 -9.086122767e-03 -1.021683969e-01 4.66 6.319972289e-02 -3.986910671e-03 -7.032214590e-02 4.68 7.479433687e-02 -7.712227581e-04 -3.864472104e-02 4.70 8.350156215e-02 2.789672637e-04 -7.332754511e-03 4.72 8.832226833e-02 -1.234916159e-03 2.150518443e-02 4.74 8.875788644e-02 -5.810258328e-03 4.436568513e-02 4.76 8.489441268e-02 -1.398486106e-02 5.830088521e-02 4.78 7.737045623e-02 -2.623734106e-02 6.104956923e-02 4.80 6.723829324e-02 -4.288230007e-02 5.107968038e-02 4.82 5.575687574e-02 -6.398285222e-02 2.760032596e-02 4.84 4.417341001e-02 -8.927621414e-02 -9.430879945e-03 4.86 3.354368059e-02 -1.181465760e-01 -5.931899678e-02 4.88 2.462787129e-02 -1.496441649e-01 -1.206643608e-01 4.90 1.495792064e-02 -1.825460894e-01 -1.914149439e-01 4.92 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