# 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 = CoFe2Ni # 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 -5.877593847e+02 -5.877593847e+02 1.04 -5.531721661e+02 -5.531721661e+02 1.06 -5.216025588e+02 -5.216025588e+02 1.08 -4.924397173e+02 -4.924397173e+02 1.10 -4.651102133e+02 -4.651102133e+02 1.12 -4.394067970e+02 -4.394067970e+02 1.14 -4.152226180e+02 -4.152226180e+02 1.16 -3.924059912e+02 -3.924059912e+02 1.18 -3.706185145e+02 -3.706185145e+02 1.20 -3.494770954e+02 -3.494770954e+02 1.22 -3.290481736e+02 -3.290481736e+02 1.24 -3.098650320e+02 -3.098650320e+02 1.26 -2.923339534e+02 -2.923339534e+02 1.28 -2.764701927e+02 -2.764701927e+02 1.30 -2.619944844e+02 -2.619944844e+02 1.32 -2.486827174e+02 -2.486827174e+02 1.34 -2.363100679e+02 -2.363100679e+02 1.36 -2.245409644e+02 -2.245409644e+02 1.38 -2.130391922e+02 -2.130391922e+02 1.40 -2.016428894e+02 -2.016428894e+02 1.42 -1.903686072e+02 -1.903686072e+02 1.44 -1.792936254e+02 -1.792936254e+02 1.46 -1.684014817e+02 -1.684014817e+02 1.48 -1.575920232e+02 -1.575920232e+02 1.50 -1.468278199e+02 -1.468278199e+02 1.52 -1.361322929e+02 -1.361322929e+02 1.54 -1.255826861e+02 -1.255826861e+02 1.56 -1.153273280e+02 -1.153273280e+02 1.58 -1.055890295e+02 -1.055890295e+02 1.60 -9.654682814e+01 -9.654682814e+01 1.62 -8.821346983e+01 -8.821346983e+01 1.64 -8.048779265e+01 -8.048779265e+01 1.66 -7.327484201e+01 -7.327484201e+01 1.68 -6.651258591e+01 -6.651258591e+01 1.70 -6.012580264e+01 -6.012580264e+01 1.72 -5.403360565e+01 -5.403360565e+01 1.74 -4.816911237e+01 -4.816911237e+01 1.76 -4.250842061e+01 -4.250842061e+01 1.78 -3.705907310e+01 -3.705907310e+01 1.80 -3.184969942e+01 -3.184969942e+01 1.82 -2.691009287e+01 -2.691009287e+01 1.84 -2.225206089e+01 -2.225206089e+01 1.86 -1.785982711e+01 -1.785982711e+01 1.88 -1.385577592e+01 -1.385577592e+01 1.90 -1.052197380e+01 -1.052197380e+01 1.92 -7.847666660e+00 -7.847666660e+00 1.94 -5.900221882e+00 -5.900221882e+00 1.96 -4.531242515e+00 -4.531242515e+00 1.98 -3.591499527e+00 -3.591499527e+00 2.00 -2.968250468e+00 -2.968250468e+00 2.02 -2.582088750e+00 -2.582088750e+00 2.04 -2.377747122e+00 -2.377747122e+00 2.06 -2.313498001e+00 -2.313498001e+00 2.08 -2.353799614e+00 -2.353799614e+00 2.10 -2.467167349e+00 -2.467167349e+00 2.12 -2.626136347e+00 -2.626136347e+00 2.14 -2.808169985e+00 -2.808169985e+00 2.16 -2.997304350e+00 -2.997304350e+00 2.18 -3.182816548e+00 -3.182816548e+00 2.20 -3.357102537e+00 -3.357102537e+00 2.22 -3.517159889e+00 -3.517159889e+00 2.24 -3.663000236e+00 -3.663000236e+00 2.26 -3.793820968e+00 -3.793820968e+00 2.28 -3.908884245e+00 -3.908884245e+00 2.30 -4.008208597e+00 -4.008208597e+00 2.32 -4.092182974e+00 -4.092182974e+00 2.34 -4.161073947e+00 -4.161073947e+00 2.36 -4.215381282e+00 -4.215381282e+00 2.38 -4.256105073e+00 -4.256105073e+00 2.40 -4.284677381e+00 -4.284677381e+00 2.42 -4.302733179e+00 -4.302733179e+00 2.44 -4.311711254e+00 -4.311711254e+00 2.46 -4.312608152e+00 -4.312608152e+00 2.48 -4.306523647e+00 -4.306523647e+00 2.50 -4.294450495e+00 -4.294450495e+00 2.52 -4.276674456e+00 -4.276674456e+00 2.54 -4.252822690e+00 -4.252822690e+00 2.56 -4.222787815e+00 -4.222787815e+00 2.58 -4.186511049e+00 -4.186511049e+00 2.60 -4.144383078e+00 -4.144383078e+00 2.62 -4.097121892e+00 -4.097121892e+00 2.64 -4.045518311e+00 -4.045518311e+00 2.66 -3.990368074e+00 -3.990368074e+00 2.68 -3.932254204e+00 -3.932254204e+00 2.70 -3.871575416e+00 -3.871575416e+00 2.72 -3.808595917e+00 -3.808595917e+00 2.74 -3.743461211e+00 -3.743461211e+00 2.76 -3.676321413e+00 -3.676321413e+00 2.78 -3.607547863e+00 -3.607547863e+00 2.80 -3.537769956e+00 -3.537769956e+00 2.82 -3.467898718e+00 -3.467898718e+00 2.84 -3.399038458e+00 -3.399038458e+00 2.86 -3.332419797e+00 -3.332419797e+00 2.88 -3.269258689e+00 -3.269258689e+00 2.90 -3.210576921e+00 -3.210576921e+00 2.92 -3.156982061e+00 -3.156982061e+00 2.94 -3.108930260e+00 -3.108930260e+00 2.96 -3.066848062e+00 -3.066848062e+00 2.98 -3.030457435e+00 -3.030457435e+00 3.00 -2.993908709e+00 -2.993908709e+00 3.02 -2.948631804e+00 -2.948631804e+00 3.04 -2.886095283e+00 -2.886095283e+00 3.06 -2.797820175e+00 -2.797820175e+00 3.08 -2.675434122e+00 -2.675434122e+00 3.10 -2.510828920e+00 -2.510828920e+00 3.12 -2.296502752e+00 -2.296502752e+00 3.14 -2.025796121e+00 -2.025796121e+00 3.16 -1.693314799e+00 -1.693314799e+00 3.18 -1.302972612e+00 -1.302972612e+00 3.20 -8.768792254e-01 -8.768792254e-01 3.22 -4.384133991e-01 -4.384133991e-01 3.24 -9.442784217e-03 -9.442784217e-03 3.26 3.907104697e-01 3.907104697e-01 3.28 7.466190928e-01 7.466190928e-01 3.30 1.048205346e+00 1.048205346e+00 3.32 1.291707450e+00 1.291707450e+00 3.34 1.479555611e+00 1.479555611e+00 3.36 1.618956522e+00 1.618956522e+00 3.38 1.719573348e+00 1.719573348e+00 3.40 1.791213239e+00 1.791213239e+00 3.42 1.842259693e+00 1.842259693e+00 3.44 1.879034034e+00 1.879034034e+00 3.46 1.905918012e+00 1.905918012e+00 3.48 1.925852024e+00 1.925852024e+00 3.50 1.940890022e+00 1.940890022e+00 3.52 1.952636307e+00 1.952636307e+00 3.54 1.962511115e+00 1.962511115e+00 3.56 1.971850225e+00 1.971850225e+00 3.58 1.981770267e+00 1.981770267e+00 3.60 1.992994518e+00 1.992994518e+00 3.62 2.005986396e+00 2.005986396e+00 3.64 2.020994937e+00 2.020994937e+00 3.66 2.038085718e+00 2.038085718e+00 3.68 2.057169608e+00 2.057169608e+00 3.70 2.078033778e+00 2.078033778e+00 3.72 2.100369802e+00 2.100369802e+00 3.74 2.123799232e+00 2.123799232e+00 3.76 2.147896551e+00 2.147896551e+00 3.78 2.172208396e+00 2.172208396e+00 3.80 2.196270235e+00 2.196270235e+00 3.82 2.219619109e+00 2.219619109e+00 3.84 2.241802485e+00 2.241802485e+00 3.86 2.262406210e+00 2.262406210e+00 3.88 2.281226842e+00 2.281226842e+00 3.90 2.298169731e+00 2.298169731e+00 3.92 2.313147405e+00 2.313147405e+00 3.94 2.326113176e+00 2.326113176e+00 3.96 2.337086497e+00 2.337086497e+00 3.98 2.346093777e+00 2.346093777e+00 4.00 2.353159235e+00 2.353159235e+00 4.02 2.358305421e+00 2.358305421e+00 4.04 2.361550681e+00 2.361550681e+00 4.06 2.362908922e+00 2.362908922e+00 4.08 2.362387828e+00 2.362387828e+00 4.10 2.359987405e+00 2.359987405e+00 4.12 2.355698370e+00 2.355698370e+00 4.14 2.349492512e+00 2.349492512e+00 4.16 2.341315455e+00 2.341315455e+00 4.18 2.331096854e+00 2.331096854e+00 4.20 2.318747296e+00 2.318747296e+00 4.22 2.304147547e+00 2.304147547e+00 4.24 2.287152639e+00 2.287152639e+00 4.26 2.267592859e+00 2.267592859e+00 4.28 2.245269941e+00 2.245269941e+00 4.30 2.219955579e+00 2.219955579e+00 4.32 2.191387430e+00 2.191387430e+00 4.34 2.159267546e+00 2.159267546e+00 4.36 2.123260413e+00 2.123260413e+00 4.38 2.082993022e+00 2.082993022e+00 4.40 2.038056964e+00 2.038056964e+00 4.42 1.988012812e+00 1.988012812e+00 4.44 1.932400000e+00 1.932400000e+00 4.46 1.870752044e+00 1.870752044e+00 4.48 1.802619222e+00 1.802619222e+00 4.50 1.727600537e+00 1.727600537e+00 4.52 1.645396934e+00 1.645396934e+00 4.54 1.555971107e+00 1.555971107e+00 4.56 1.459618983e+00 1.459618983e+00 4.58 1.356958952e+00 1.356958952e+00 4.60 1.248973561e+00 1.248973561e+00 4.62 1.137032906e+00 1.137032906e+00 4.64 1.022872222e+00 1.022872222e+00 4.66 9.085150405e-01 9.085150405e-01 4.68 7.961343260e-01 7.961343260e-01 4.70 6.878627751e-01 6.878627751e-01 4.72 5.855863940e-01 5.855863940e-01 4.74 4.907552061e-01 4.907552061e-01 4.76 4.042554855e-01 4.042554855e-01 4.78 3.263573256e-01 3.263573256e-01 4.80 2.567676478e-01 2.567676478e-01 4.82 1.947618108e-01 1.947618108e-01 4.84 1.393444248e-01 1.393444248e-01 4.86 8.941893500e-02 8.941893500e-02 4.88 4.393108987e-02 4.393108987e-02 4.90 1.978404002e-03 1.978404002e-03 4.92 -3.712606568e-02 -3.712606568e-02 4.94 -7.383464153e-02 -7.383464153e-02 4.96 -1.083687230e-01 -1.083687230e-01 4.98 -1.403447028e-01 -1.403447028e-01 5.00 -1.692538227e-01 -1.692538227e-01 5.02 -1.946388101e-01 -1.946388101e-01 5.04 -2.161588509e-01 -2.161588509e-01 5.06 -2.337132716e-01 -2.337132716e-01 5.08 -2.473791228e-01 -2.473791228e-01 5.10 -2.573122587e-01 -2.573122587e-01 5.12 -2.637109130e-01 -2.637109130e-01 5.14 -2.667799321e-01 -2.667799321e-01 5.16 -2.666999678e-01 -2.666999678e-01 5.18 -2.636048061e-01 -2.636048061e-01 5.20 -2.575686972e-01 -2.575686972e-01 5.22 -2.486276046e-01 -2.486276046e-01 5.24 -2.368911217e-01 -2.368911217e-01 5.26 -2.225116319e-01 -2.225116319e-01 5.28 -2.056959713e-01 -2.056959713e-01 5.30 -1.867457725e-01 -1.867457725e-01 5.32 -1.660842750e-01 -1.660842750e-01 5.34 -1.442619118e-01 -1.442619118e-01 5.36 -1.219361614e-01 -1.219361614e-01 5.38 -9.982823120e-02 -9.982823120e-02 5.40 -7.866367282e-02 -7.866367282e-02 5.42 -5.910712641e-02 -5.910712641e-02 5.44 -4.170309619e-02 -4.170309619e-02 5.46 -2.683344867e-02 -2.683344867e-02 5.48 -1.469704963e-02 -1.469704963e-02 5.50 -5.312172159e-03 -5.312172159e-03 5.52 1.464846640e-03 1.464846640e-03 5.54 5.904820732e-03 5.904820732e-03 5.56 8.369282874e-03 8.369282874e-03 5.58 9.264891421e-03 9.264891421e-03 5.60 9.006798665e-03 9.006798665e-03 5.62 7.986728148e-03 7.986728148e-03 5.64 6.549310927e-03 6.549310927e-03 5.66 4.976689806e-03 4.976689806e-03 5.68 3.481223708e-03 3.481223708e-03 5.70 2.206222120e-03 2.206222120e-03 5.72 1.227826563e-03 1.227826563e-03 5.74 5.649073577e-04 5.649073577e-04 5.76 1.882013957e-04 1.882013957e-04 5.78 3.071291355e-05 3.071291355e-05 5.80 1.875006493e-07 1.875006493e-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