# 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 = CrCuFe2 # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 -5.504255451e+02 -5.504255451e+02 1.06 -5.188413099e+02 -5.188413099e+02 1.08 -4.894979945e+02 -4.894979945e+02 1.10 -4.620049862e+02 -4.620049862e+02 1.12 -4.359677034e+02 -4.359677034e+02 1.14 -4.113625283e+02 -4.113625283e+02 1.16 -3.883631088e+02 -3.883631088e+02 1.18 -3.666653566e+02 -3.666653566e+02 1.20 -3.462196846e+02 -3.462196846e+02 1.22 -3.269845275e+02 -3.269845275e+02 1.24 -3.088014455e+02 -3.088014455e+02 1.26 -2.918100731e+02 -2.918100731e+02 1.28 -2.761595942e+02 -2.761595942e+02 1.30 -2.617206902e+02 -2.617206902e+02 1.32 -2.481896869e+02 -2.481896869e+02 1.34 -2.352636127e+02 -2.352636127e+02 1.36 -2.228655284e+02 -2.228655284e+02 1.38 -2.108789587e+02 -2.108789587e+02 1.40 -1.992837079e+02 -1.992837079e+02 1.42 -1.879922146e+02 -1.879922146e+02 1.44 -1.768971325e+02 -1.768971325e+02 1.46 -1.659502349e+02 -1.659502349e+02 1.48 -1.550964899e+02 -1.550964899e+02 1.50 -1.444011192e+02 -1.444011192e+02 1.52 -1.339404053e+02 -1.339404053e+02 1.54 -1.237681210e+02 -1.237681210e+02 1.56 -1.139092113e+02 -1.139092113e+02 1.58 -1.043664988e+02 -1.043664988e+02 1.60 -9.519454497e+01 -9.519454497e+01 1.62 -8.635031522e+01 -8.635031522e+01 1.64 -7.790930310e+01 -7.790930310e+01 1.66 -6.996282047e+01 -6.996282047e+01 1.68 -6.257525175e+01 -6.257525175e+01 1.70 -5.572533405e+01 -5.572533405e+01 1.72 -4.936500761e+01 -4.936500761e+01 1.74 -4.343445804e+01 -4.343445804e+01 1.76 -3.795638518e+01 -3.795638518e+01 1.78 -3.283795073e+01 -3.283795073e+01 1.80 -2.803945035e+01 -2.803945035e+01 1.82 -2.350802417e+01 -2.350802417e+01 1.84 -1.921093461e+01 -1.921093461e+01 1.86 -1.514768653e+01 -1.514768653e+01 1.88 -1.156275567e+01 -1.156275567e+01 1.90 -8.683892307e+00 -8.683892307e+00 1.92 -6.531899542e+00 -6.531899542e+00 1.94 -4.966418561e+00 -4.966418561e+00 1.96 -3.853211603e+00 -3.853211603e+00 1.98 -3.087970252e+00 -3.087970252e+00 2.00 -2.595781058e+00 -2.595780344e+00 2.02 -2.315809101e+00 -2.315809101e+00 2.04 -2.191508143e+00 -2.191508143e+00 2.06 -2.186025532e+00 -2.186025532e+00 2.08 -2.264111685e+00 -2.264111685e+00 2.10 -2.395707309e+00 -2.395707309e+00 2.12 -2.556918991e+00 -2.556918991e+00 2.14 -2.738132349e+00 -2.738132349e+00 2.16 -2.914724040e+00 -2.914724040e+00 2.18 -3.080022465e+00 -3.080022465e+00 2.20 -3.227086449e+00 -3.227086449e+00 2.22 -3.355096526e+00 -3.355096526e+00 2.24 -3.468408900e+00 -3.468408900e+00 2.26 -3.571862431e+00 -3.571862431e+00 2.28 -3.668080956e+00 -3.668080956e+00 2.30 -3.755018285e+00 -3.755018285e+00 2.32 -3.829991447e+00 -3.829991447e+00 2.34 -3.905752689e+00 -3.905752689e+00 2.36 -3.959729096e+00 -3.959729096e+00 2.38 -3.997882989e+00 -3.997882989e+00 2.40 -4.029033736e+00 -4.029033736e+00 2.42 -4.042951285e+00 -4.042951285e+00 2.44 -4.045640203e+00 -4.045640203e+00 2.46 -4.039072835e+00 -4.039072835e+00 2.48 -4.024707296e+00 -4.024707296e+00 2.50 -4.003817278e+00 -4.003817278e+00 2.52 -3.977623057e+00 -3.977623057e+00 2.54 -3.946939929e+00 -3.946939929e+00 2.56 -3.912503944e+00 -3.912503944e+00 2.58 -3.874963519e+00 -3.874963519e+00 2.60 -3.836221269e+00 -3.836221269e+00 2.62 -3.795652207e+00 -3.795652207e+00 2.64 -3.754724369e+00 -3.754724369e+00 2.66 -3.714112716e+00 -3.714112716e+00 2.68 -3.674053977e+00 -3.674053977e+00 2.70 -3.634403393e+00 -3.634403393e+00 2.72 -3.594749392e+00 -3.594749392e+00 2.74 -3.554474764e+00 -3.554474764e+00 2.76 -3.512858111e+00 -3.512858111e+00 2.78 -3.469248836e+00 -3.469248836e+00 2.80 -3.423042701e+00 -3.423042701e+00 2.82 -3.373856182e+00 -3.373856182e+00 2.84 -3.321711078e+00 -3.321711078e+00 2.86 -3.267294859e+00 -3.267294859e+00 2.88 -3.211697885e+00 -3.211697885e+00 2.90 -3.156165692e+00 -3.156165692e+00 2.92 -3.102207199e+00 -3.102207199e+00 2.94 -3.051342330e+00 -3.051342330e+00 2.96 -3.004782094e+00 -3.004782094e+00 2.98 -2.963280049e+00 -2.963280049e+00 3.00 -2.929019925e+00 -2.929019926e+00 3.02 -2.901066579e+00 -2.901066579e+00 3.04 -2.867231168e+00 -2.867231168e+00 3.06 -2.818989340e+00 -2.818989340e+00 3.08 -2.746342677e+00 -2.746342677e+00 3.10 -2.639188011e+00 -2.639188011e+00 3.12 -2.487326357e+00 -2.487326357e+00 3.14 -2.299709321e+00 -2.299709321e+00 3.16 -2.049475070e+00 -2.049475070e+00 3.18 -1.740225302e+00 -1.740225302e+00 3.20 -1.372928162e+00 -1.372928162e+00 3.22 -9.684126082e-01 -9.684126082e-01 3.24 -5.520084573e-01 -5.520084573e-01 3.26 -1.461647118e-01 -1.461647118e-01 3.28 2.306261374e-01 2.306261374e-01 3.30 5.651104236e-01 5.651104236e-01 3.32 8.502282611e-01 8.502282611e-01 3.34 1.085155639e+00 1.085155639e+00 3.36 1.274170069e+00 1.274170069e+00 3.38 1.424598124e+00 1.424598124e+00 3.40 1.544654252e+00 1.544654252e+00 3.42 1.641870148e+00 1.641870148e+00 3.44 1.722233990e+00 1.722233990e+00 3.46 1.790091558e+00 1.790091558e+00 3.48 1.848463775e+00 1.848463775e+00 3.50 1.899479247e+00 1.899479247e+00 3.52 1.944750212e+00 1.944750212e+00 3.54 1.985624578e+00 1.985624578e+00 3.56 2.023308080e+00 2.023308080e+00 3.58 2.058879391e+00 2.058879391e+00 3.60 2.093264462e+00 2.093264462e+00 3.62 2.127233372e+00 2.127233372e+00 3.64 2.161407413e+00 2.161407413e+00 3.66 2.196265718e+00 2.196265718e+00 3.68 2.219920235e+00 2.219920235e+00 3.70 2.249984320e+00 2.249984320e+00 3.72 2.279192631e+00 2.279192631e+00 3.74 2.307358858e+00 2.307358858e+00 3.76 2.334264083e+00 2.334264083e+00 3.78 2.359667278e+00 2.359667278e+00 3.80 2.383311413e+00 2.383311413e+00 3.82 2.404924551e+00 2.404924551e+00 3.84 2.424216745e+00 2.424216745e+00 3.86 2.440891048e+00 2.440891048e+00 3.88 2.454789509e+00 2.454789509e+00 3.90 2.465812867e+00 2.465812867e+00 3.92 2.473772406e+00 2.473772406e+00 3.94 2.478508895e+00 2.478508895e+00 3.96 2.480253879e+00 2.480253879e+00 3.98 2.479610298e+00 2.479610298e+00 4.00 2.476913632e+00 2.476913632e+00 4.02 2.472217172e+00 2.472217172e+00 4.04 2.465339685e+00 2.465339685e+00 4.06 2.455912163e+00 2.455912163e+00 4.08 2.443421858e+00 2.443421858e+00 4.10 2.427254449e+00 2.427254449e+00 4.12 2.406732006e+00 2.406732006e+00 4.14 2.381139119e+00 2.381139119e+00 4.16 2.349748834e+00 2.349748834e+00 4.18 2.311861627e+00 2.311861627e+00 4.20 2.266828187e+00 2.266828187e+00 4.22 2.214063312e+00 2.214063312e+00 4.24 2.153061887e+00 2.153061887e+00 4.26 2.083408899e+00 2.083408899e+00 4.28 2.004781530e+00 2.004781530e+00 4.30 1.916904942e+00 1.916904942e+00 4.32 1.819547647e+00 1.819547647e+00 4.34 1.712533779e+00 1.712533779e+00 4.36 1.595732636e+00 1.595732636e+00 4.38 1.469045066e+00 1.469045066e+00 4.40 1.332388476e+00 1.332388476e+00 4.42 1.185680426e+00 1.185680426e+00 4.44 1.028825629e+00 1.028825629e+00 4.46 8.617075402e-01 8.617075402e-01 4.48 6.841884688e-01 6.841884688e-01 4.50 4.961306524e-01 4.961306524e-01 4.52 2.974568341e-01 2.974568341e-01 4.54 8.835618990e-02 8.835618990e-02 4.56 -1.210229460e-01 -1.210229460e-01 4.58 -2.468956137e-01 -2.468956137e-01 4.60 -1.810069241e-01 -1.810069241e-01 4.62 1.652886868e-01 1.652886868e-01 4.64 8.505091980e-01 8.505091980e-01 4.66 1.894997529e+00 1.894997529e+00 4.68 3.277596323e+00 3.277596323e+00 4.70 4.938715519e+00 4.938715519e+00 4.72 6.789907570e+00 6.789907570e+00 4.74 8.728021311e+00 8.728021311e+00 4.76 1.065068562e+01 1.065068562e+01 4.78 1.246942692e+01 1.246942692e+01 4.80 1.411782755e+01 1.411782755e+01 4.82 1.555387617e+01 1.555387617e+01 4.84 1.675739547e+01 1.675739547e+01 4.86 1.772459163e+01 1.772459163e+01 4.88 1.846162326e+01 1.846162326e+01 4.90 1.897889771e+01 1.897889771e+01 4.92 1.928693733e+01 1.928693733e+01 4.94 1.939394727e+01 1.939394727e+01 4.96 1.930510354e+01 1.930510354e+01 4.98 1.902297636e+01 1.902297636e+01 5.00 1.854898612e+01 1.854898612e+01 5.02 1.788532647e+01 1.788532647e+01 5.04 1.703707827e+01 1.703707827e+01 5.06 1.601425509e+01 1.601425509e+01 5.08 1.483277101e+01 1.483277101e+01 5.10 1.351473887e+01 1.351473887e+01 5.12 1.208841835e+01 1.208841835e+01 5.14 1.058779585e+01 1.058779585e+01 5.16 9.051716866e+00 9.051716866e+00 5.18 7.522536535e+00 7.522536535e+00 5.20 6.330788202e+00 6.330788202e+00 5.22 5.001545862e+00 5.001545862e+00 5.24 3.795426598e+00 3.795426598e+00 5.26 2.739607297e+00 2.739607297e+00 5.28 1.851559282e+00 1.851559282e+00 5.30 1.137971867e+00 1.137971867e+00 5.32 5.946848521e-01 5.946848521e-01 5.34 2.077410723e-01 2.077410723e-01 5.36 -4.445718296e-02 -4.445718296e-02 5.38 -1.881786722e-01 -1.881786722e-01 5.40 -2.510681598e-01 -2.510681598e-01 5.42 -2.591109994e-01 -2.591109994e-01 5.44 -2.343686172e-01 -2.343686172e-01 5.46 -1.937822811e-01 -1.937822811e-01 5.48 -1.490343741e-01 -1.490343741e-01 5.50 -1.072125331e-01 -1.072125331e-01 5.52 -7.188796356e-02 -7.188796356e-02 5.54 -4.424769744e-02 -4.424769744e-02 5.56 -2.404735343e-02 -2.404735343e-02 5.58 -1.031433504e-02 -1.031433504e-02 5.60 -1.790524226e-03 -1.790524226e-03 5.62 2.811645374e-03 2.811645374e-03 5.64 4.671811553e-03 4.671811553e-03 5.66 4.793292876e-03 4.793292876e-03 5.68 3.974353218e-03 3.974353218e-03 5.70 2.804509402e-03 2.804509402e-03 5.72 1.676400003e-03 1.676400003e-03 5.74 8.093288155e-04 8.093288155e-04 5.76 2.781844629e-04 2.781844629e-04 5.78 4.631574932e-05 4.631574932e-05 5.80 1.746181983e-07 1.746181983e-07 5.82 -1.486798146e-05 -1.486798146e-05 5.84 -1.661815259e-04 -1.661815259e-04 5.86 -6.206176417e-04 -6.206176417e-04 5.88 -1.545911532e-03 -1.545911532e-03 5.90 -3.108476075e-03 -3.108476075e-03 5.92 -5.475315531e-03 -5.475315531e-03 5.94 -8.810922993e-03 -8.810922993e-03 5.96 -1.327793460e-02 -1.327793460e-02 5.98 -1.903530951e-02 -1.903530951e-02 6.00 -1.282270897e-02 -1.243691182e-02