# 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--ipr2 # composition = CrFeNi2 # 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 2024-11-27 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 -4.550647387e+02 -4.550647387e+02 1.04 -4.281152929e+02 -4.281152929e+02 1.06 -4.033186039e+02 -4.033186039e+02 1.08 -3.804407139e+02 -3.804407139e+02 1.10 -3.591923825e+02 -3.591923825e+02 1.12 -3.393844177e+02 -3.393844177e+02 1.14 -3.208101374e+02 -3.208101374e+02 1.16 -3.032248103e+02 -3.032248103e+02 1.18 -2.864051030e+02 -2.864051030e+02 1.20 -2.702016533e+02 -2.702016533e+02 1.22 -2.547058019e+02 -2.547058019e+02 1.24 -2.402286343e+02 -2.402286343e+02 1.26 -2.269465297e+02 -2.269465297e+02 1.28 -2.147794794e+02 -2.147794794e+02 1.30 -2.034892087e+02 -2.034892087e+02 1.32 -1.929174960e+02 -1.929174960e+02 1.34 -1.829502763e+02 -1.829502763e+02 1.36 -1.734077101e+02 -1.734077101e+02 1.38 -1.640952585e+02 -1.640952585e+02 1.40 -1.549087997e+02 -1.549087997e+02 1.42 -1.458311719e+02 -1.458311719e+02 1.44 -1.368755639e+02 -1.368755639e+02 1.46 -1.280326743e+02 -1.280326743e+02 1.48 -1.192652871e+02 -1.192652871e+02 1.50 -1.105513983e+02 -1.105513983e+02 1.52 -1.018919320e+02 -1.018919320e+02 1.54 -9.331286452e+01 -9.331286452e+01 1.56 -8.489162948e+01 -8.489162948e+01 1.58 -7.676200696e+01 -7.676200696e+01 1.60 -6.905368795e+01 -6.905368795e+01 1.62 -6.181693632e+01 -6.181693632e+01 1.64 -5.503694956e+01 -5.503694956e+01 1.66 -4.869534474e+01 -4.869534474e+01 1.68 -4.277699607e+01 -4.277699607e+01 1.70 -3.724702514e+01 -3.724702514e+01 1.72 -3.206407223e+01 -3.206407223e+01 1.74 -2.718771984e+01 -2.718771984e+01 1.76 -2.260201676e+01 -2.260201676e+01 1.78 -1.830960334e+01 -1.830960334e+01 1.80 -1.441005598e+01 -1.441005598e+01 1.82 -1.099714321e+01 -1.099714321e+01 1.84 -8.077307170e+00 -8.077307170e+00 1.86 -5.880939247e+00 -5.880939247e+00 1.88 -4.330250218e+00 -4.330250218e+00 1.90 -3.269633882e+00 -3.269633882e+00 1.92 -2.580875782e+00 -2.580875782e+00 1.94 -2.173132506e+00 -2.173132506e+00 1.96 -1.972801596e+00 -1.972801596e+00 1.98 -1.918135573e+00 -1.918135573e+00 2.00 -1.962703072e+00 -1.962703072e+00 2.02 -2.072728130e+00 -2.072728130e+00 2.04 -2.224185736e+00 -2.224185736e+00 2.06 -2.399430483e+00 -2.399430483e+00 2.08 -2.584660106e+00 -2.584660106e+00 2.10 -2.769961180e+00 -2.769961180e+00 2.12 -2.952183233e+00 -2.952183233e+00 2.14 -3.128954993e+00 -3.128954993e+00 2.16 -3.295920288e+00 -3.295920288e+00 2.18 -3.451261413e+00 -3.451261413e+00 2.20 -3.593103979e+00 -3.593103979e+00 2.22 -3.719401185e+00 -3.719401185e+00 2.24 -3.831126613e+00 -3.831126613e+00 2.26 -3.929706609e+00 -3.929706609e+00 2.28 -4.015166166e+00 -4.015166166e+00 2.30 -4.087621576e+00 -4.087621576e+00 2.32 -4.147611978e+00 -4.147611978e+00 2.34 -4.195649364e+00 -4.195649364e+00 2.36 -4.232334427e+00 -4.232334427e+00 2.38 -4.258473967e+00 -4.258473967e+00 2.40 -4.274896467e+00 -4.274896467e+00 2.42 -4.282460574e+00 -4.282460574e+00 2.44 -4.282031786e+00 -4.282031786e+00 2.46 -4.274502827e+00 -4.274502827e+00 2.48 -4.260648306e+00 -4.260648306e+00 2.50 -4.241527444e+00 -4.241527444e+00 2.52 -4.217834375e+00 -4.217834375e+00 2.54 -4.189648527e+00 -4.189648527e+00 2.56 -4.156980148e+00 -4.156980148e+00 2.58 -4.119875679e+00 -4.119875679e+00 2.60 -4.078559651e+00 -4.078559651e+00 2.62 -4.033319675e+00 -4.033319675e+00 2.64 -3.984457865e+00 -3.984457865e+00 2.66 -3.932301612e+00 -3.932301612e+00 2.68 -3.877049861e+00 -3.877049861e+00 2.70 -3.818878712e+00 -3.818878712e+00 2.72 -3.758035971e+00 -3.758035971e+00 2.74 -3.694810322e+00 -3.694810322e+00 2.76 -3.629512151e+00 -3.629512151e+00 2.78 -3.562609412e+00 -3.562609412e+00 2.80 -3.494758852e+00 -3.494758852e+00 2.82 -3.426671536e+00 -3.426671536e+00 2.84 -3.359014063e+00 -3.359014063e+00 2.86 -3.292349826e+00 -3.292349826e+00 2.88 -3.227059016e+00 -3.227059016e+00 2.90 -3.163258530e+00 -3.163258530e+00 2.92 -3.101089988e+00 -3.101089988e+00 2.94 -3.040345975e+00 -3.040345975e+00 2.96 -2.980692437e+00 -2.980692437e+00 2.98 -2.921577883e+00 -2.921577883e+00 3.00 -2.860219858e+00 -2.860219858e+00 3.02 -2.793102711e+00 -2.793102711e+00 3.04 -2.716929673e+00 -2.716929673e+00 3.06 -2.628495420e+00 -2.628495420e+00 3.08 -2.524565541e+00 -2.524565541e+00 3.10 -2.402058700e+00 -2.402058700e+00 3.12 -2.258143077e+00 -2.258143077e+00 3.14 -2.090194429e+00 -2.090194429e+00 3.16 -1.896086838e+00 -1.896086838e+00 3.18 -1.674696763e+00 -1.674696763e+00 3.20 -1.430846839e+00 -1.430846839e+00 3.22 -1.174704996e+00 -1.174704996e+00 3.24 -9.165082138e-01 -9.165082138e-01 3.26 -6.659565728e-01 -6.659565728e-01 3.28 -4.316023187e-01 -4.316023187e-01 3.30 -2.200755280e-01 -2.200755280e-01 3.32 -3.540524587e-02 -3.540524587e-02 3.34 1.212404714e-01 1.212404714e-01 3.36 2.511652571e-01 2.511652571e-01 3.38 3.573545111e-01 3.573545111e-01 3.40 4.435012197e-01 4.435012197e-01 3.42 5.130887567e-01 5.130887567e-01 3.44 5.689612084e-01 5.689612084e-01 3.46 6.132094027e-01 6.132094027e-01 3.48 6.472854656e-01 6.472854656e-01 3.50 6.722207373e-01 6.722207373e-01 3.52 6.888444960e-01 6.888444960e-01 3.54 6.979494529e-01 6.979494529e-01 3.56 7.003819648e-01 7.003819648e-01 3.58 6.970205957e-01 6.970205957e-01 3.60 6.886836325e-01 6.886836325e-01 3.62 6.761262056e-01 6.761262056e-01 3.64 6.600358528e-01 6.600358528e-01 3.66 6.410125204e-01 6.410125204e-01 3.68 6.195819388e-01 6.195819388e-01 3.70 5.962038441e-01 5.962038441e-01 3.72 5.712732694e-01 5.712732694e-01 3.74 5.451226794e-01 5.451226794e-01 3.76 5.180246641e-01 5.180246641e-01 3.78 4.901941812e-01 4.901941812e-01 3.80 4.617923301e-01 4.617923301e-01 3.82 4.329292309e-01 4.329292309e-01 3.84 4.036673407e-01 4.036673407e-01 3.86 3.740442756e-01 3.740442756e-01 3.88 3.442374413e-01 3.442374413e-01 3.90 3.145033565e-01 3.145033565e-01 3.92 2.850949305e-01 2.850949305e-01 3.94 2.562291670e-01 2.562291670e-01 3.96 2.280571982e-01 2.280571982e-01 3.98 2.007114114e-01 2.007114114e-01 4.00 1.743115880e-01 1.743115880e-01 4.02 1.489649195e-01 1.489649195e-01 4.04 1.247673227e-01 1.247673227e-01 4.06 1.018032318e-01 1.018032318e-01 4.08 8.014746209e-02 8.014746209e-02 4.10 5.986419079e-02 5.986419079e-02 4.12 4.100910152e-02 4.100910152e-02 4.14 2.363333745e-02 2.363333745e-02 4.16 7.787515542e-03 7.787515542e-03 4.18 -6.485163531e-03 -6.485163531e-03 4.20 -1.915173449e-02 -1.915173449e-02 4.22 -3.021435129e-02 -3.021435129e-02 4.24 -3.969900297e-02 -3.969900297e-02 4.26 -4.756318971e-02 -4.756318971e-02 4.28 -5.380229703e-02 -5.380229703e-02 4.30 -5.845373443e-02 -5.845373443e-02 4.32 -6.157858771e-02 -6.157858771e-02 4.34 -6.324801994e-02 -6.324801994e-02 4.36 -6.353439923e-02 -6.353439923e-02 4.38 -6.250662436e-02 -6.250662436e-02 4.40 -6.022848632e-02 -6.022848632e-02 4.42 -5.676185524e-02 -5.676185524e-02 4.44 -5.216917412e-02 -5.216917412e-02 4.46 -4.652031909e-02 -4.652031909e-02 4.48 -3.990101779e-02 -3.990101779e-02 4.50 -3.242053177e-02 -3.242053177e-02 4.52 -2.421539904e-02 -2.421539904e-02 4.54 -1.542033070e-02 -1.542033070e-02 4.56 -6.195292646e-03 -6.195292646e-03 4.58 3.253511351e-03 3.253511351e-03 4.60 1.267953084e-02 1.267953084e-02 4.62 2.180643056e-02 2.180643056e-02 4.64 3.034675393e-02 3.034675393e-02 4.66 3.803615571e-02 3.803615571e-02 4.68 4.463149518e-02 4.463149518e-02 4.70 4.993384643e-02 4.993384643e-02 4.72 5.381204817e-02 5.381204817e-02 4.74 5.621488943e-02 5.621488943e-02 4.76 5.717617153e-02 5.717617153e-02 4.78 5.681292404e-02 5.681292404e-02 4.80 5.530576347e-02 5.530576347e-02 4.82 5.286303001e-02 5.286303001e-02 4.84 4.971212081e-02 4.971212081e-02 4.86 4.607848494e-02 4.607848494e-02 4.88 4.217017739e-02 4.217017739e-02 4.90 3.816518893e-02 3.816518893e-02 4.92 3.420653634e-02 3.420653634e-02 4.94 3.039979098e-02 3.039979098e-02 4.96 2.681495113e-02 2.681495113e-02 4.98 2.349241585e-02 2.349241585e-02 5.00 2.045116342e-02 2.045116342e-02 5.02 1.769261670e-02 1.769261670e-02 5.04 1.520798631e-02 1.520798631e-02 5.06 1.299089186e-02 1.299089186e-02 5.08 1.103683129e-02 1.103683129e-02 5.10 9.340723727e-03 9.340723727e-03 5.12 7.895413251e-03 7.895413251e-03 5.14 6.691928879e-03 6.691928879e-03 5.16 5.719183711e-03 5.719183711e-03 5.18 4.963224370e-03 4.963224370e-03 5.20 4.406867841e-03 4.406867841e-03 5.22 4.030225764e-03 4.030225764e-03 5.24 3.816335996e-03 3.816335996e-03 5.26 3.746547842e-03 3.746547842e-03 5.28 3.797570433e-03 3.797570433e-03 5.30 3.941921188e-03 3.941921188e-03 5.32 4.149378917e-03 4.149378917e-03 5.34 4.386968845e-03 4.386968845e-03 5.36 4.621367740e-03 4.621367740e-03 5.38 4.820531106e-03 4.820531106e-03 5.40 4.956198219e-03 4.956198219e-03 5.42 5.005711394e-03 5.005711394e-03 5.44 4.954442233e-03 4.954442233e-03 5.46 4.797220306e-03 4.797220306e-03 5.48 4.538483136e-03 4.538483136e-03 5.50 4.191807527e-03 4.191807527e-03 5.52 3.781764480e-03 3.781764480e-03 5.54 3.333088339e-03 3.333088339e-03 5.56 2.863204368e-03 2.863204368e-03 5.58 2.389597495e-03 2.389597495e-03 5.60 1.930493965e-03 1.930493965e-03 5.62 1.502657457e-03 1.502657457e-03 5.64 1.119813771e-03 1.119813771e-03 5.66 7.918987445e-04 7.918987445e-04 5.68 5.244128380e-04 5.244128380e-04 5.70 3.188350427e-04 3.188350427e-04 5.72 1.719011166e-04 1.719011166e-04 5.74 7.725220573e-05 7.725220573e-05 5.76 2.539544942e-05 2.539544942e-05 5.78 4.127436917e-06 4.127436917e-06 5.80 9.653553203e-09 9.653553203e-09 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00