# 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 = Co2CrFe # 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 -4.801155159e+02 -4.801155159e+02 1.06 -4.531627376e+02 -4.531627376e+02 1.08 -4.281063037e+02 -4.281063037e+02 1.10 -4.045088961e+02 -4.045088961e+02 1.12 -3.818835746e+02 -3.818835746e+02 1.14 -3.600520015e+02 -3.600520015e+02 1.16 -3.391245130e+02 -3.391245130e+02 1.18 -3.190323823e+02 -3.190323823e+02 1.20 -3.000517585e+02 -3.000517585e+02 1.22 -2.823990298e+02 -2.823990298e+02 1.24 -2.660937490e+02 -2.660937490e+02 1.26 -2.511228232e+02 -2.511228232e+02 1.28 -2.376754500e+02 -2.376754500e+02 1.30 -2.253240958e+02 -2.253240958e+02 1.32 -2.138292871e+02 -2.138292871e+02 1.34 -2.029186281e+02 -2.029186281e+02 1.36 -1.925610044e+02 -1.925610044e+02 1.38 -1.826098117e+02 -1.826098117e+02 1.40 -1.730616505e+02 -1.730616505e+02 1.42 -1.636905268e+02 -1.636905268e+02 1.44 -1.543749056e+02 -1.543749056e+02 1.46 -1.451557435e+02 -1.451557435e+02 1.48 -1.358882796e+02 -1.358882796e+02 1.50 -1.266712797e+02 -1.266712797e+02 1.52 -1.175843913e+02 -1.175843913e+02 1.54 -1.086663026e+02 -1.086663026e+02 1.56 -9.991672111e+01 -9.991672111e+01 1.58 -9.137242995e+01 -9.137242995e+01 1.60 -8.305146613e+01 -8.305146613e+01 1.62 -7.495660783e+01 -7.495660783e+01 1.64 -6.718359317e+01 -6.718359317e+01 1.66 -5.986114521e+01 -5.986114521e+01 1.68 -5.297888220e+01 -5.297888220e+01 1.70 -4.652008465e+01 -4.652008465e+01 1.72 -4.043853674e+01 -4.043853674e+01 1.74 -3.474581946e+01 -3.474581946e+01 1.76 -2.944097169e+01 -2.944097169e+01 1.78 -2.446231711e+01 -2.446231711e+01 1.80 -1.979872793e+01 -1.979872793e+01 1.82 -1.544506735e+01 -1.544506735e+01 1.84 -1.154425985e+01 -1.154425985e+01 1.86 -8.219214163e+00 -8.219214163e+00 1.88 -5.778245049e+00 -5.778245049e+00 1.90 -4.069087503e+00 -4.069087503e+00 1.92 -2.915177123e+00 -2.915177123e+00 1.94 -2.179931862e+00 -2.179931862e+00 1.96 -1.759019645e+00 -1.759019645e+00 1.98 -1.567362091e+00 -1.567362091e+00 2.00 -1.539739762e+00 -1.539739653e+00 2.02 -1.622908322e+00 -1.622908322e+00 2.04 -1.776133014e+00 -1.776133014e+00 2.06 -1.970872035e+00 -1.970872035e+00 2.08 -2.185699422e+00 -2.185699422e+00 2.10 -2.405745699e+00 -2.405745699e+00 2.12 -2.621640428e+00 -2.621640428e+00 2.14 -2.825101111e+00 -2.825101111e+00 2.16 -3.017135693e+00 -3.017135693e+00 2.18 -3.195855078e+00 -3.195855078e+00 2.20 -3.358682063e+00 -3.358682063e+00 2.22 -3.502929288e+00 -3.502929288e+00 2.24 -3.629819085e+00 -3.629819085e+00 2.26 -3.741556677e+00 -3.741556677e+00 2.28 -3.840271444e+00 -3.840271444e+00 2.30 -3.927400196e+00 -3.927400196e+00 2.32 -4.003675145e+00 -4.003675145e+00 2.34 -4.065384300e+00 -4.065384300e+00 2.36 -4.119336529e+00 -4.119336529e+00 2.38 -4.164574333e+00 -4.164574333e+00 2.40 -4.194728331e+00 -4.194728331e+00 2.42 -4.219926144e+00 -4.219926144e+00 2.44 -4.236979016e+00 -4.236979016e+00 2.46 -4.246670433e+00 -4.246670433e+00 2.48 -4.249911613e+00 -4.249911613e+00 2.50 -4.247629364e+00 -4.247629364e+00 2.52 -4.239758624e+00 -4.239758624e+00 2.54 -4.225412389e+00 -4.225412389e+00 2.56 -4.204287076e+00 -4.204287076e+00 2.58 -4.176548339e+00 -4.176548339e+00 2.60 -4.141533629e+00 -4.141533629e+00 2.62 -4.100966238e+00 -4.100966238e+00 2.64 -4.054830387e+00 -4.054830387e+00 2.66 -4.003611454e+00 -4.003611454e+00 2.68 -3.947644825e+00 -3.947644825e+00 2.70 -3.887199512e+00 -3.887199512e+00 2.72 -3.822564451e+00 -3.822564451e+00 2.74 -3.754095463e+00 -3.754095463e+00 2.76 -3.682320810e+00 -3.682320810e+00 2.78 -3.608009732e+00 -3.608009732e+00 2.80 -3.532139093e+00 -3.532139093e+00 2.82 -3.455792993e+00 -3.455792993e+00 2.84 -3.380007760e+00 -3.380007760e+00 2.86 -3.305706737e+00 -3.305706737e+00 2.88 -3.233609467e+00 -3.233609467e+00 2.90 -3.164146495e+00 -3.164146495e+00 2.92 -3.097513864e+00 -3.097513864e+00 2.94 -3.033749393e+00 -3.033749393e+00 2.96 -2.972750349e+00 -2.972750349e+00 2.98 -2.914457856e+00 -2.914457856e+00 3.00 -2.856662015e+00 -2.856662016e+00 3.02 -2.795199235e+00 -2.795199235e+00 3.04 -2.726888413e+00 -2.726888413e+00 3.06 -2.647304143e+00 -2.647304143e+00 3.08 -2.552284218e+00 -2.552284218e+00 3.10 -2.437530203e+00 -2.437530203e+00 3.12 -2.298638321e+00 -2.298638321e+00 3.14 -2.140075197e+00 -2.140075197e+00 3.16 -1.950595613e+00 -1.950595613e+00 3.18 -1.732619752e+00 -1.732619752e+00 3.20 -1.493820441e+00 -1.493820441e+00 3.22 -1.245729481e+00 -1.245729481e+00 3.24 -9.992224616e-01 -9.992224616e-01 3.26 -7.640761595e-01 -7.640761595e-01 3.28 -5.483852775e-01 -5.483852775e-01 3.30 -3.578706480e-01 -3.578706480e-01 3.32 -1.953546646e-01 -1.953546646e-01 3.34 -6.070699415e-02 -6.070699415e-02 3.36 4.856941428e-02 4.856941428e-02 3.38 1.363907838e-01 1.363907838e-01 3.40 2.070592148e-01 2.070592148e-01 3.42 2.644135453e-01 2.644135453e-01 3.44 3.114502922e-01 3.114502922e-01 3.46 3.503010758e-01 3.503010758e-01 3.48 3.824227525e-01 3.824227525e-01 3.50 4.088524095e-01 4.088524095e-01 3.52 4.304313371e-01 4.304313371e-01 3.54 4.479552964e-01 4.479552964e-01 3.56 4.622417870e-01 4.622417870e-01 3.58 4.741224707e-01 4.741224707e-01 3.60 4.844075456e-01 4.844075456e-01 3.62 4.938697558e-01 4.938697558e-01 3.64 5.032386522e-01 5.032386522e-01 3.66 5.131867824e-01 5.131867824e-01 3.68 5.144784332e-01 5.144784332e-01 3.70 5.211943182e-01 5.211943182e-01 3.72 5.278798443e-01 5.278798443e-01 3.74 5.345914871e-01 5.345914871e-01 3.76 5.413366262e-01 5.413366262e-01 3.78 5.480805229e-01 5.480805229e-01 3.80 5.547520686e-01 5.547520686e-01 3.82 5.612499560e-01 5.612499560e-01 3.84 5.674467533e-01 5.674467533e-01 3.86 5.732112208e-01 5.732112208e-01 3.88 5.785552954e-01 5.785552954e-01 3.90 5.835707107e-01 5.835707107e-01 3.92 5.883503976e-01 5.883503976e-01 3.94 5.929591032e-01 5.929591032e-01 3.96 5.974076016e-01 5.974076016e-01 3.98 6.016971422e-01 6.016971422e-01 4.00 6.058252092e-01 6.058252092e-01 4.02 6.097852862e-01 6.097852862e-01 4.04 6.135678307e-01 6.135678307e-01 4.06 6.171603125e-01 6.171603125e-01 4.08 6.205475511e-01 6.205475511e-01 4.10 6.237119778e-01 6.237119778e-01 4.12 6.266340733e-01 6.266340733e-01 4.14 6.292936864e-01 6.292936864e-01 4.16 6.316710408e-01 6.316710408e-01 4.18 6.337449252e-01 6.337449252e-01 4.20 6.354880712e-01 6.354880712e-01 4.22 6.368424552e-01 6.368424552e-01 4.24 6.377392524e-01 6.377392524e-01 4.26 6.381093642e-01 6.381093642e-01 4.28 6.378827714e-01 6.378827714e-01 4.30 6.369896193e-01 6.369896193e-01 4.32 6.353589885e-01 6.353589885e-01 4.34 6.329195493e-01 6.329195493e-01 4.36 6.296002154e-01 6.296002154e-01 4.38 6.253266651e-01 6.253266651e-01 4.40 6.200133625e-01 6.200133625e-01 4.42 6.135877126e-01 6.135877126e-01 4.44 6.059792491e-01 6.059792491e-01 4.46 5.971093491e-01 5.971093491e-01 4.48 5.868833372e-01 5.868833372e-01 4.50 5.751891164e-01 5.751891164e-01 4.52 5.619059682e-01 5.619059682e-01 4.54 5.469805414e-01 5.469805414e-01 4.56 5.304509239e-01 5.304509239e-01 4.58 5.123451619e-01 5.123451619e-01 4.60 4.926749275e-01 4.926749275e-01 4.62 4.714367862e-01 4.714367862e-01 4.64 4.486149424e-01 4.486149424e-01 4.66 4.241870717e-01 4.241870717e-01 4.68 3.981342932e-01 3.981342932e-01 4.70 3.704522524e-01 3.704522524e-01 4.72 3.411632909e-01 3.411632909e-01 4.74 3.103288459e-01 3.103288459e-01 4.76 2.780568016e-01 2.780568016e-01 4.78 2.445074835e-01 2.445074835e-01 4.80 2.098892977e-01 2.098892977e-01 4.82 1.744502650e-01 1.744502650e-01 4.84 1.384718070e-01 1.384718070e-01 4.86 1.022616239e-01 1.022616239e-01 4.88 6.614211447e-02 6.614211447e-02 4.90 3.044374360e-02 3.044374360e-02 4.92 -4.502867636e-03 -4.502867636e-03 4.94 -3.837932170e-02 -3.837932170e-02 4.96 -7.065134638e-02 -7.065134638e-02 4.98 -9.971918327e-02 -9.971918327e-02 5.00 -1.242978921e-01 -1.242978921e-01 5.02 -1.437201653e-01 -1.437201653e-01 5.04 -1.578724656e-01 -1.578724656e-01 5.06 -1.671036656e-01 -1.671036656e-01 5.08 -1.721138448e-01 -1.721138448e-01 5.10 -1.738256360e-01 -1.738256360e-01 5.12 -1.732453079e-01 -1.732453079e-01 5.14 -1.713229009e-01 -1.713229009e-01 5.16 -1.688222861e-01 -1.688222861e-01 5.18 -1.662152022e-01 -1.662152022e-01 5.20 -1.647299638e-01 -1.647299638e-01 5.22 -1.623691696e-01 -1.623691696e-01 5.24 -1.593502299e-01 -1.593502299e-01 5.26 -1.549857903e-01 -1.549857903e-01 5.28 -1.486152272e-01 -1.486152272e-01 5.30 -1.397647222e-01 -1.397647222e-01 5.32 -1.282661600e-01 -1.282661600e-01 5.34 -1.143132264e-01 -1.143132264e-01 5.36 -9.844329599e-02 -9.844329599e-02 5.38 -8.145349817e-02 -8.145349817e-02 5.40 -6.427032755e-02 -6.427032755e-02 5.42 -4.780768817e-02 -4.780768817e-02 5.44 -3.284342556e-02 -3.284342556e-02 5.46 -1.994063347e-02 -1.994063347e-02 5.48 -9.416826104e-03 -9.416826104e-03 5.50 -1.355950410e-03 -1.355950410e-03 5.52 4.347711841e-03 4.347711841e-03 5.54 7.940445738e-03 7.940445738e-03 5.56 9.755740133e-03 9.755740133e-03 5.58 1.017111909e-02 1.017111909e-02 5.60 9.571291017e-03 9.571291017e-03 5.62 8.318477813e-03 8.318477813e-03 5.64 6.730422142e-03 6.730422142e-03 5.66 5.066205229e-03 5.066205229e-03 5.68 3.519985357e-03 3.519985357e-03 5.70 2.219560706e-03 2.219560706e-03 5.72 1.230618438e-03 1.230618438e-03 5.74 5.647687737e-04 5.647687737e-04 5.76 1.877819806e-04 1.877819806e-04 5.78 3.058334419e-05 3.058334419e-05 5.80 1.942870417e-07 1.942870417e-07 5.82 -9.794251460e-06 -9.794251460e-06 5.84 -1.092238485e-04 -1.092238485e-04 5.86 -4.083318575e-04 -4.083318575e-04 5.88 -1.016806494e-03 -1.016806494e-03 5.90 -2.044776505e-03 -2.044776505e-03 5.92 -3.601477107e-03 -3.601477107e-03 5.94 -5.795312441e-03 -5.795312441e-03 5.96 -8.733039091e-03 -8.733039091e-03 5.98 -1.251875211e-02 -1.251875211e-02 6.00 -8.415600502e-03 -8.192153783e-03