# 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 = 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 nan nan 1.04 -5.531841024e+02 -5.531841024e+02 1.06 -5.216246847e+02 -5.216246847e+02 1.08 -4.924442069e+02 -4.924442069e+02 1.10 -4.651215191e+02 -4.651215191e+02 1.12 -4.394213381e+02 -4.394213381e+02 1.14 -4.152393343e+02 -4.152393343e+02 1.16 -3.924261914e+02 -3.924261914e+02 1.18 -3.706288011e+02 -3.706288011e+02 1.20 -3.494865184e+02 -3.494865184e+02 1.22 -3.290722020e+02 -3.290722020e+02 1.24 -3.098722295e+02 -3.098722295e+02 1.26 -2.923891158e+02 -2.923891158e+02 1.28 -2.764711796e+02 -2.764711796e+02 1.30 -2.619944845e+02 -2.619944845e+02 1.32 -2.486829796e+02 -2.486829796e+02 1.34 -2.363156558e+02 -2.363156558e+02 1.36 -2.245432833e+02 -2.245432833e+02 1.38 -2.130638387e+02 -2.130638387e+02 1.40 -2.016429436e+02 -2.016429436e+02 1.42 -1.903732930e+02 -1.903732930e+02 1.44 -1.793218937e+02 -1.793218937e+02 1.46 -1.684015315e+02 -1.684015315e+02 1.48 -1.575936416e+02 -1.575936416e+02 1.50 -1.468317156e+02 -1.468317156e+02 1.52 -1.361323111e+02 -1.361323111e+02 1.54 -1.255856513e+02 -1.255856513e+02 1.56 -1.153457257e+02 -1.153457257e+02 1.58 -1.055929633e+02 -1.055929633e+02 1.60 -9.654700710e+01 -9.654700710e+01 1.62 -8.821777541e+01 -8.821777541e+01 1.64 -8.050727577e+01 -8.050727577e+01 1.66 -7.327484003e+01 -7.327484003e+01 1.68 -6.651260508e+01 -6.651260508e+01 1.70 -6.012855360e+01 -6.012855360e+01 1.72 -5.405049902e+01 -5.405049902e+01 1.74 -4.817289716e+01 -4.817289716e+01 1.76 -4.250842001e+01 -4.250842001e+01 1.78 -3.705907364e+01 -3.705907364e+01 1.80 -3.185035267e+01 -3.185035267e+01 1.82 -2.691436977e+01 -2.691436977e+01 1.84 -2.225205950e+01 -2.225205950e+01 1.86 -1.785982752e+01 -1.785982752e+01 1.88 -1.385577708e+01 -1.385577708e+01 1.90 -1.052197331e+01 -1.052197331e+01 1.92 -7.847666704e+00 -7.847666704e+00 1.94 -5.900230833e+00 -5.900230833e+00 1.96 -4.531979118e+00 -4.531979118e+00 1.98 -3.594828833e+00 -3.594828833e+00 2.00 -2.971191980e+00 -2.971192186e+00 2.02 -2.582088591e+00 -2.582088591e+00 2.04 -2.377747318e+00 -2.377747318e+00 2.06 -2.313497396e+00 -2.313497396e+00 2.08 -2.353766568e+00 -2.353766568e+00 2.10 -2.466979427e+00 -2.466979427e+00 2.12 -2.625601707e+00 -2.625601707e+00 2.14 -2.808169983e+00 -2.808169983e+00 2.16 -2.997304271e+00 -2.997304271e+00 2.18 -3.182816620e+00 -3.182816620e+00 2.20 -3.357102468e+00 -3.357102468e+00 2.22 -3.517159881e+00 -3.517159881e+00 2.24 -3.663000288e+00 -3.663000288e+00 2.26 -3.793810750e+00 -3.793810750e+00 2.28 -3.908686911e+00 -3.908686911e+00 2.30 -4.007367757e+00 -4.007367757e+00 2.32 -4.090046008e+00 -4.090046008e+00 2.34 -4.161195324e+00 -4.161195324e+00 2.36 -4.215762060e+00 -4.215762060e+00 2.38 -4.256787052e+00 -4.256787052e+00 2.40 -4.284677379e+00 -4.284677379e+00 2.42 -4.302733177e+00 -4.302733177e+00 2.44 -4.311711252e+00 -4.311711252e+00 2.46 -4.312608154e+00 -4.312608154e+00 2.48 -4.306523643e+00 -4.306523643e+00 2.50 -4.294450492e+00 -4.294450492e+00 2.52 -4.276674474e+00 -4.276674474e+00 2.54 -4.252825326e+00 -4.252825326e+00 2.56 -4.222805651e+00 -4.222805651e+00 2.58 -4.186565413e+00 -4.186565413e+00 2.60 -4.144383075e+00 -4.144383075e+00 2.62 -4.097121891e+00 -4.097121891e+00 2.64 -4.045518309e+00 -4.045518309e+00 2.66 -3.990368082e+00 -3.990368082e+00 2.68 -3.932254202e+00 -3.932254202e+00 2.70 -3.871575419e+00 -3.871575419e+00 2.72 -3.808595926e+00 -3.808595926e+00 2.74 -3.743461211e+00 -3.743461211e+00 2.76 -3.676321403e+00 -3.676321403e+00 2.78 -3.607547839e+00 -3.607547839e+00 2.80 -3.537769939e+00 -3.537769939e+00 2.82 -3.467898699e+00 -3.467898699e+00 2.84 -3.399038440e+00 -3.399038440e+00 2.86 -3.332419793e+00 -3.332419793e+00 2.88 -3.269258689e+00 -3.269258689e+00 2.90 -3.210576919e+00 -3.210576919e+00 2.92 -3.156977128e+00 -3.156977128e+00 2.94 -3.108875779e+00 -3.108875779e+00 2.96 -3.066621720e+00 -3.066621720e+00 2.98 -3.029850001e+00 -3.029850001e+00 3.00 -2.993324439e+00 -2.993324438e+00 3.02 -2.948631797e+00 -2.948631797e+00 3.04 -2.886095803e+00 -2.886095803e+00 3.06 -2.797809503e+00 -2.797809503e+00 3.08 -2.675206840e+00 -2.675206840e+00 3.10 -2.509590728e+00 -2.509590728e+00 3.12 -2.292308799e+00 -2.292308799e+00 3.14 -2.025796003e+00 -2.025796003e+00 3.16 -1.693314738e+00 -1.693314738e+00 3.18 -1.302972531e+00 -1.302972531e+00 3.20 -8.768789315e-01 -8.768789315e-01 3.22 -4.384133864e-01 -4.384133864e-01 3.24 -9.442913737e-03 -9.442913737e-03 3.26 3.907106412e-01 3.907106412e-01 3.28 7.466192380e-01 7.466192380e-01 3.30 1.048205340e+00 1.048205340e+00 3.32 1.291707409e+00 1.291707409e+00 3.34 1.479555578e+00 1.479555578e+00 3.36 1.618956526e+00 1.618956526e+00 3.38 1.719573320e+00 1.719573320e+00 3.40 1.791213268e+00 1.791213268e+00 3.42 1.842259702e+00 1.842259702e+00 3.44 1.879034053e+00 1.879034053e+00 3.46 1.905917979e+00 1.905917979e+00 3.48 1.925852045e+00 1.925852045e+00 3.50 1.940890022e+00 1.940890022e+00 3.52 1.952636207e+00 1.952636207e+00 3.54 1.962511088e+00 1.962511088e+00 3.56 1.971851541e+00 1.971851541e+00 3.58 1.981882681e+00 1.981882681e+00 3.60 1.993654740e+00 1.993654740e+00 3.62 2.008026435e+00 2.008026435e+00 3.64 2.025666495e+00 2.025666495e+00 3.66 2.047057423e+00 2.047057423e+00 3.68 2.057169568e+00 2.057169568e+00 3.70 2.078033735e+00 2.078033735e+00 3.72 2.100369752e+00 2.100369752e+00 3.74 2.123799239e+00 2.123799239e+00 3.76 2.147896492e+00 2.147896492e+00 3.78 2.172208397e+00 2.172208397e+00 3.80 2.196270322e+00 2.196270322e+00 3.82 2.219619143e+00 2.219619143e+00 3.84 2.241802447e+00 2.241802447e+00 3.86 2.262406241e+00 2.262406241e+00 3.88 2.281226853e+00 2.281226853e+00 3.90 2.298169694e+00 2.298169694e+00 3.92 2.313147334e+00 2.313147334e+00 3.94 2.326113152e+00 2.326113152e+00 3.96 2.337086571e+00 2.337086571e+00 3.98 2.346093758e+00 2.346093758e+00 4.00 2.353159317e+00 2.353159317e+00 4.02 2.358305436e+00 2.358305436e+00 4.04 2.361550652e+00 2.361550652e+00 4.06 2.362908940e+00 2.362908940e+00 4.08 2.362387822e+00 2.362387822e+00 4.10 2.359987405e+00 2.359987405e+00 4.12 2.355698439e+00 2.355698439e+00 4.14 2.349492523e+00 2.349492523e+00 4.16 2.341315495e+00 2.341315495e+00 4.18 2.331096889e+00 2.331096889e+00 4.20 2.318747286e+00 2.318747286e+00 4.22 2.304147533e+00 2.304147533e+00 4.24 2.287152658e+00 2.287152658e+00 4.26 2.267592785e+00 2.267592785e+00 4.28 2.245269922e+00 2.245269922e+00 4.30 2.219955570e+00 2.219955570e+00 4.32 2.191387501e+00 2.191387501e+00 4.34 2.159267476e+00 2.159267476e+00 4.36 2.123260330e+00 2.123260330e+00 4.38 2.082993014e+00 2.082993014e+00 4.40 2.038056920e+00 2.038056920e+00 4.42 1.988012846e+00 1.988012846e+00 4.44 1.932399976e+00 1.932399976e+00 4.46 1.870752166e+00 1.870752166e+00 4.48 1.802619233e+00 1.802619233e+00 4.50 1.727600595e+00 1.727600595e+00 4.52 1.645396810e+00 1.645396810e+00 4.54 1.555971126e+00 1.555971126e+00 4.56 1.459618889e+00 1.459618889e+00 4.58 1.356959026e+00 1.356959026e+00 4.60 1.248973606e+00 1.248973606e+00 4.62 1.137032852e+00 1.137032852e+00 4.64 1.022872251e+00 1.022872251e+00 4.66 9.085152103e-01 9.085152103e-01 4.68 7.961341934e-01 7.961341934e-01 4.70 6.878628058e-01 6.878628058e-01 4.72 5.855864026e-01 5.855864026e-01 4.74 4.907551792e-01 4.907551792e-01 4.76 4.042552614e-01 4.042552614e-01 4.78 3.263574613e-01 3.263574613e-01 4.80 2.567677322e-01 2.567677322e-01 4.82 1.947616627e-01 1.947616627e-01 4.84 1.393445825e-01 1.393445825e-01 4.86 8.941901244e-02 8.941901244e-02 4.88 4.393094554e-02 4.393094554e-02 4.90 1.978314162e-03 1.978314162e-03 4.92 -3.712600967e-02 -3.712600967e-02 4.94 -7.383466353e-02 -7.383466353e-02 4.96 -1.083688195e-01 -1.083688195e-01 4.98 -1.403450617e-01 -1.403450617e-01 5.00 -1.692536477e-01 -1.692536477e-01 5.02 -1.946389554e-01 -1.946389554e-01 5.04 -2.161494925e-01 -2.161494925e-01 5.06 -2.335813602e-01 -2.335813602e-01 5.08 -2.468702689e-01 -2.468702689e-01 5.10 -2.560527405e-01 -2.560527405e-01 5.12 -2.612156917e-01 -2.612156917e-01 5.14 -2.624389962e-01 -2.624389962e-01 5.16 -2.597401133e-01 -2.597401133e-01 5.18 -2.530271731e-01 -2.530271731e-01 5.20 -2.575687822e-01 -2.575687822e-01 5.22 -2.486277239e-01 -2.486277239e-01 5.24 -2.368909944e-01 -2.368909944e-01 5.26 -2.225116815e-01 -2.225116815e-01 5.28 -2.056961134e-01 -2.056961134e-01 5.30 -1.867457711e-01 -1.867457711e-01 5.32 -1.660842053e-01 -1.660842053e-01 5.34 -1.442621505e-01 -1.442621505e-01 5.36 -1.219362159e-01 -1.219362159e-01 5.38 -9.982828786e-02 -9.982828786e-02 5.40 -7.866376177e-02 -7.866376177e-02 5.42 -5.910705641e-02 -5.910705641e-02 5.44 -4.170290170e-02 -4.170290170e-02 5.46 -2.683326298e-02 -2.683326298e-02 5.48 -1.469709030e-02 -1.469709030e-02 5.50 -5.312150367e-03 -5.312150367e-03 5.52 1.464822221e-03 1.464822221e-03 5.54 5.904731960e-03 5.904731960e-03 5.56 8.369454992e-03 8.369454992e-03 5.58 9.265016917e-03 9.265016917e-03 5.60 9.006936814e-03 9.006936814e-03 5.62 7.986811487e-03 7.986811487e-03 5.64 6.549325422e-03 6.549325422e-03 5.66 4.976515711e-03 4.976515711e-03 5.68 3.481303079e-03 3.481303079e-03 5.70 2.206164501e-03 2.206164501e-03 5.72 1.227603944e-03 1.227603944e-03 5.74 5.649108006e-04 5.649108006e-04 5.76 1.882530695e-04 1.882530695e-04 5.78 3.072829017e-05 3.072829017e-05 5.80 1.938901970e-07 1.938901970e-07 5.82 -9.781917131e-06 -9.781917131e-06 5.84 -1.095231083e-04 -1.095231083e-04 5.86 -4.097061303e-04 -4.097061303e-04 5.88 -1.020358123e-03 -1.020358123e-03 5.90 -2.052211819e-03 -2.052211819e-03 5.92 -3.615413769e-03 -3.615413769e-03 5.94 -5.819511704e-03 -5.819511704e-03 5.96 -8.773442265e-03 -8.773442265e-03 5.98 -1.258565090e-02 -1.258565090e-02 6.00 -8.235538676e-03 -8.459849657e-03