# 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 = CoCuFe2 # 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 -6.070704359e+02 -6.070704359e+02 1.04 -5.722053239e+02 -5.722053239e+02 1.06 -5.398891476e+02 -5.398891476e+02 1.08 -5.098659125e+02 -5.098659125e+02 1.10 -4.815120762e+02 -4.815120762e+02 1.12 -4.543529169e+02 -4.543529169e+02 1.14 -4.283899452e+02 -4.283899452e+02 1.16 -4.036856637e+02 -4.036856637e+02 1.18 -3.803144409e+02 -3.803144409e+02 1.20 -3.584004183e+02 -3.584004183e+02 1.22 -3.379073908e+02 -3.379073908e+02 1.24 -3.187470737e+02 -3.187470737e+02 1.26 -3.010136275e+02 -3.010136275e+02 1.28 -2.848799436e+02 -2.848799436e+02 1.30 -2.701653669e+02 -2.701653669e+02 1.32 -2.564715467e+02 -2.564715467e+02 1.34 -2.434388307e+02 -2.434388307e+02 1.36 -2.309362721e+02 -2.309362721e+02 1.38 -2.189610836e+02 -2.189610836e+02 1.40 -2.074558688e+02 -2.074558688e+02 1.42 -1.962489608e+02 -1.962489608e+02 1.44 -1.851905458e+02 -1.851905458e+02 1.46 -1.741829755e+02 -1.741829755e+02 1.48 -1.632058221e+02 -1.632058221e+02 1.50 -1.523539074e+02 -1.523539074e+02 1.52 -1.417410990e+02 -1.417410990e+02 1.54 -1.314353154e+02 -1.314353154e+02 1.56 -1.214359459e+02 -1.214359459e+02 1.58 -1.117138857e+02 -1.117138857e+02 1.60 -1.022386735e+02 -1.022386735e+02 1.62 -9.302453806e+01 -9.302453806e+01 1.64 -8.416776954e+01 -8.416776954e+01 1.66 -7.580089028e+01 -7.580089028e+01 1.68 -6.799617091e+01 -6.799617091e+01 1.70 -6.072706028e+01 -6.072706028e+01 1.72 -5.394491759e+01 -5.394491759e+01 1.74 -4.761930937e+01 -4.761930937e+01 1.76 -4.172873437e+01 -4.172873437e+01 1.78 -3.622330848e+01 -3.622330848e+01 1.80 -3.103674787e+01 -3.103674787e+01 1.82 -2.611016035e+01 -2.611016035e+01 1.84 -2.141756895e+01 -2.141756895e+01 1.86 -1.696973650e+01 -1.696973650e+01 1.88 -1.286659236e+01 -1.286659236e+01 1.90 -9.497861186e+00 -9.497861186e+00 1.92 -6.962115304e+00 -6.962115304e+00 1.94 -5.127999122e+00 -5.127999122e+00 1.96 -3.842879237e+00 -3.842879237e+00 1.98 -2.983997453e+00 -2.983997453e+00 2.00 -2.451191369e+00 -2.451191369e+00 2.02 -2.162170952e+00 -2.162170952e+00 2.04 -2.052235058e+00 -2.052235058e+00 2.06 -2.069587317e+00 -2.069587317e+00 2.08 -2.171695243e+00 -2.171695243e+00 2.10 -2.324409832e+00 -2.324409832e+00 2.12 -2.502458032e+00 -2.502458032e+00 2.14 -2.688823578e+00 -2.688823578e+00 2.16 -2.871627100e+00 -2.871627100e+00 2.18 -3.041909513e+00 -3.041909513e+00 2.20 -3.194099664e+00 -3.194099664e+00 2.22 -3.326599456e+00 -3.326599456e+00 2.24 -3.443197824e+00 -3.443197824e+00 2.26 -3.548664199e+00 -3.548664199e+00 2.28 -3.647130267e+00 -3.647130267e+00 2.30 -3.739900409e+00 -3.739900409e+00 2.32 -3.824494724e+00 -3.824494724e+00 2.34 -3.898401830e+00 -3.898401830e+00 2.36 -3.959857841e+00 -3.959857841e+00 2.38 -4.007965828e+00 -4.007965828e+00 2.40 -4.042537634e+00 -4.042537634e+00 2.42 -4.064113444e+00 -4.064113444e+00 2.44 -4.073719105e+00 -4.073719105e+00 2.46 -4.073467168e+00 -4.073467168e+00 2.48 -4.065275104e+00 -4.065275104e+00 2.50 -4.050743498e+00 -4.050743498e+00 2.52 -4.030863590e+00 -4.030863590e+00 2.54 -4.005965658e+00 -4.005965658e+00 2.56 -3.976321622e+00 -3.976321622e+00 2.58 -3.942503581e+00 -3.942503581e+00 2.60 -3.905513072e+00 -3.905513072e+00 2.62 -3.866471321e+00 -3.866471321e+00 2.64 -3.826360672e+00 -3.826360672e+00 2.66 -3.785868809e+00 -3.785868809e+00 2.68 -3.745145990e+00 -3.745145990e+00 2.70 -3.703886135e+00 -3.703886135e+00 2.72 -3.661501890e+00 -3.661501890e+00 2.74 -3.617307816e+00 -3.617307816e+00 2.76 -3.570766104e+00 -3.570766104e+00 2.78 -3.521638322e+00 -3.521638322e+00 2.80 -3.469859654e+00 -3.469859654e+00 2.82 -3.415611956e+00 -3.415611956e+00 2.84 -3.359376628e+00 -3.359376628e+00 2.86 -3.301936502e+00 -3.301936502e+00 2.88 -3.244212856e+00 -3.244212856e+00 2.90 -3.187775603e+00 -3.187775603e+00 2.92 -3.134268012e+00 -3.134268012e+00 2.94 -3.085280920e+00 -3.085280920e+00 2.96 -3.042085359e+00 -3.042085359e+00 2.98 -3.005567983e+00 -3.005567983e+00 3.00 -2.975598656e+00 -2.975598656e+00 3.02 -2.944896840e+00 -2.944896840e+00 3.04 -2.902719301e+00 -2.902719301e+00 3.06 -2.838639801e+00 -2.838639801e+00 3.08 -2.742635106e+00 -2.742635106e+00 3.10 -2.605298490e+00 -2.605298490e+00 3.12 -2.418281323e+00 -2.418281323e+00 3.14 -2.174656600e+00 -2.174656600e+00 3.16 -1.869349998e+00 -1.869349998e+00 3.18 -1.502155991e+00 -1.502155991e+00 3.20 -1.093032002e+00 -1.093032002e+00 3.22 -6.684782713e-01 -6.684782713e-01 3.24 -2.520199073e-01 -2.520199073e-01 3.26 1.365481475e-01 1.365481475e-01 3.28 4.821684118e-01 4.821684118e-01 3.30 7.756002595e-01 7.756002595e-01 3.32 1.014014537e+00 1.014014537e+00 3.34 1.200566732e+00 1.200566732e+00 3.36 1.342811584e+00 1.342811584e+00 3.38 1.450363651e+00 1.450363651e+00 3.40 1.532704774e+00 1.532704774e+00 3.42 1.597812482e+00 1.597812482e+00 3.44 1.651581595e+00 1.651581595e+00 3.46 1.698001399e+00 1.698001399e+00 3.48 1.739665154e+00 1.739665154e+00 3.50 1.778297888e+00 1.778297888e+00 3.52 1.815153356e+00 1.815153356e+00 3.54 1.851246756e+00 1.851246756e+00 3.56 1.887444000e+00 1.887444000e+00 3.58 1.924352893e+00 1.924352893e+00 3.60 1.962206125e+00 1.962206125e+00 3.62 2.001025866e+00 2.001025866e+00 3.64 2.040684724e+00 2.040684724e+00 3.66 2.080947460e+00 2.080947460e+00 3.68 2.121509267e+00 2.121509267e+00 3.70 2.162030015e+00 2.162030015e+00 3.72 2.202162145e+00 2.202162145e+00 3.74 2.241572679e+00 2.241572679e+00 3.76 2.279959403e+00 2.279959403e+00 3.78 2.317061192e+00 2.317061192e+00 3.80 2.352662258e+00 2.352662258e+00 3.82 2.386591618e+00 2.386591618e+00 3.84 2.418716214e+00 2.418716214e+00 3.86 2.448940061e+00 2.448940061e+00 3.88 2.477261370e+00 2.477261370e+00 3.90 2.503706065e+00 2.503706065e+00 3.92 2.528276655e+00 2.528276655e+00 3.94 2.550951557e+00 2.550951557e+00 3.96 2.570715717e+00 2.570715717e+00 3.98 2.585371377e+00 2.585371377e+00 4.00 2.593566117e+00 2.593566117e+00 4.02 2.594790837e+00 2.594790837e+00 4.04 2.589187178e+00 2.589187178e+00 4.06 2.577375697e+00 2.577375697e+00 4.08 2.560303543e+00 2.560303543e+00 4.10 2.539109788e+00 2.539109788e+00 4.12 2.515007750e+00 2.515007750e+00 4.14 2.489173422e+00 2.489173422e+00 4.16 2.462651719e+00 2.462651719e+00 4.18 2.436299267e+00 2.436299267e+00 4.20 2.410724241e+00 2.410724241e+00 4.22 2.386236005e+00 2.386236005e+00 4.24 2.362812760e+00 2.362812760e+00 4.26 2.340079852e+00 2.340079852e+00 4.28 2.317299386e+00 2.317299386e+00 4.30 2.293372700e+00 2.293372700e+00 4.32 2.266856957e+00 2.266856957e+00 4.34 2.235998746e+00 2.235998746e+00 4.36 2.198785137e+00 2.198785137e+00 4.38 2.153018770e+00 2.153018770e+00 4.40 2.096415872e+00 2.096415872e+00 4.42 2.026734437e+00 2.026734437e+00 4.44 1.941930349e+00 1.941930349e+00 4.46 1.840343995e+00 1.840343995e+00 4.48 1.720906653e+00 1.720906653e+00 4.50 1.583353489e+00 1.583353489e+00 4.52 1.428433943e+00 1.428433943e+00 4.54 1.258162293e+00 1.258162293e+00 4.56 1.074591318e+00 1.074591318e+00 4.58 8.788627006e-01 8.788627006e-01 4.60 6.725917993e-01 6.725917993e-01 4.62 4.580169884e-01 4.580169884e-01 4.64 2.379713738e-01 2.379713738e-01 4.66 1.577550171e-02 1.577550171e-02 4.68 -1.986569016e-01 -1.986569016e-01 4.70 -3.362273810e-01 -3.362273810e-01 4.72 -3.231511176e-01 -3.231511176e-01 4.74 -1.248026002e-01 -1.248026002e-01 4.76 2.608377558e-01 2.608377558e-01 4.78 8.133570483e-01 8.133570483e-01 4.80 1.500415891e+00 1.500415891e+00 4.82 2.286277348e+00 2.286277348e+00 4.84 3.137220574e+00 3.137220574e+00 4.86 4.023823930e+00 4.023823930e+00 4.88 4.920986756e+00 4.920986756e+00 4.90 5.806564607e+00 5.806564607e+00 4.92 6.659628620e+00 6.659628620e+00 4.94 7.458939070e+00 7.458939070e+00 4.96 8.182041009e+00 8.182041009e+00 4.98 8.805098011e+00 8.805098011e+00 5.00 9.303586753e+00 9.303586753e+00 5.02 9.653667308e+00 9.653667308e+00 5.04 9.834415012e+00 9.834415012e+00 5.06 9.831944796e+00 9.831944796e+00 5.08 9.640349203e+00 9.640349203e+00 5.10 9.261512164e+00 9.261512164e+00 5.12 8.705747257e+00 8.705747257e+00 5.14 7.992044934e+00 7.992044934e+00 5.16 7.147797352e+00 7.147797352e+00 5.18 6.207891429e+00 6.207891429e+00 5.20 5.213038453e+00 5.213038453e+00 5.22 4.208085547e+00 4.208085547e+00 5.24 3.241099065e+00 3.241099065e+00 5.26 2.355445558e+00 2.355445558e+00 5.28 1.584827030e+00 1.584827030e+00 5.30 9.508158022e-01 9.508158022e-01 5.32 4.617118757e-01 4.617118757e-01 5.34 1.130138097e-01 1.130138097e-01 5.36 -1.104958491e-01 -1.104958491e-01 5.38 -2.313814547e-01 -2.313814547e-01 5.40 -2.755529492e-01 -2.755529492e-01 5.42 -2.684234747e-01 -2.684234747e-01 5.44 -2.319483897e-01 -2.319483897e-01 5.46 -1.829669504e-01 -1.829669504e-01 5.48 -1.328686952e-01 -1.328686952e-01 5.50 -8.825993207e-02 -8.825993207e-02 5.52 -5.214294654e-02 -5.214294654e-02 5.54 -2.515235087e-02 -2.515235087e-02 5.56 -6.568124965e-03 -6.568124965e-03 5.58 4.960012937e-03 4.960012937e-03 5.60 1.098611911e-02 1.098611911e-02 5.62 1.302995788e-02 1.302995788e-02 5.64 1.245213072e-02 1.245213072e-02 5.66 1.038991824e-02 1.038991824e-02 5.68 7.731354906e-03 7.731354906e-03 5.70 5.112331478e-03 5.112331478e-03 5.72 2.931252788e-03 2.931252788e-03 5.74 1.376953210e-03 1.376953210e-03 5.76 4.649932730e-04 4.649932730e-04 5.78 7.632944738e-05 7.632944738e-05 5.80 3.626221250e-07 3.626221250e-07 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