# 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 = CrCu2Ni # 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 -3.637788841e+02 -3.637788841e+02 1.06 -3.432487546e+02 -3.432487546e+02 1.08 -3.240070227e+02 -3.240070227e+02 1.10 -3.058529220e+02 -3.058529220e+02 1.12 -2.879891017e+02 -2.879891017e+02 1.14 -2.702326837e+02 -2.702326837e+02 1.16 -2.532772227e+02 -2.532772227e+02 1.18 -2.374237700e+02 -2.374237700e+02 1.20 -2.236645086e+02 -2.236645086e+02 1.22 -2.121471145e+02 -2.121471145e+02 1.24 -2.018245891e+02 -2.018245891e+02 1.26 -1.917226085e+02 -1.917226085e+02 1.28 -1.824235996e+02 -1.824235996e+02 1.30 -1.733555388e+02 -1.733555388e+02 1.32 -1.644084231e+02 -1.644084231e+02 1.34 -1.552936152e+02 -1.552936152e+02 1.36 -1.464886219e+02 -1.464886219e+02 1.38 -1.381561389e+02 -1.381561389e+02 1.40 -1.307441488e+02 -1.307441488e+02 1.42 -1.236361266e+02 -1.236361266e+02 1.44 -1.164371567e+02 -1.164371567e+02 1.46 -1.093012085e+02 -1.093012085e+02 1.48 -1.019462434e+02 -1.019462434e+02 1.50 -9.466668973e+01 -9.466668973e+01 1.52 -8.762810825e+01 -8.762810825e+01 1.54 -8.081138855e+01 -8.081138855e+01 1.56 -7.402095183e+01 -7.402095183e+01 1.58 -6.703775169e+01 -6.703775169e+01 1.60 -5.958365206e+01 -5.958365206e+01 1.62 -5.160955749e+01 -5.160955749e+01 1.64 -4.351121991e+01 -4.351121991e+01 1.66 -3.585000808e+01 -3.585000808e+01 1.68 -2.865709899e+01 -2.865709899e+01 1.70 -2.206428785e+01 -2.206428785e+01 1.72 -1.609669417e+01 -1.609669417e+01 1.74 -1.092086946e+01 -1.092086946e+01 1.76 -6.787315541e+00 -6.787315541e+00 1.78 -4.042474897e+00 -4.042474897e+00 1.80 -2.334595056e+00 -2.334595056e+00 1.82 -1.256811535e+00 -1.256811535e+00 1.84 -5.862103048e-01 -5.862103048e-01 1.86 -1.984740524e-01 -1.984740524e-01 1.88 -3.375500826e-02 -3.375500826e-02 1.90 -3.366189760e-02 -3.366189760e-02 1.92 -1.431363997e-01 -1.431363997e-01 1.94 -3.220755719e-01 -3.220755719e-01 1.96 -5.457387462e-01 -5.457387462e-01 1.98 -7.979909832e-01 -7.979909832e-01 2.00 -1.073874309e+00 -1.073874360e+00 2.02 -1.366921631e+00 -1.366921631e+00 2.04 -1.663538841e+00 -1.663538841e+00 2.06 -1.962819084e+00 -1.962819084e+00 2.08 -2.258754396e+00 -2.258754396e+00 2.10 -2.543273614e+00 -2.543273614e+00 2.12 -2.806953911e+00 -2.806953911e+00 2.14 -3.042990901e+00 -3.042990901e+00 2.16 -3.241506938e+00 -3.241506938e+00 2.18 -3.400617611e+00 -3.400617611e+00 2.20 -3.521201773e+00 -3.521201773e+00 2.22 -3.606735946e+00 -3.606735946e+00 2.24 -3.661425567e+00 -3.661425567e+00 2.26 -3.689082763e+00 -3.689082763e+00 2.28 -3.700270600e+00 -3.700270600e+00 2.30 -3.707676806e+00 -3.707676806e+00 2.32 -3.720144617e+00 -3.720144617e+00 2.34 -3.737066822e+00 -3.737066822e+00 2.36 -3.756756867e+00 -3.756756867e+00 2.38 -3.776932461e+00 -3.776932461e+00 2.40 -3.792592741e+00 -3.792592741e+00 2.42 -3.803543577e+00 -3.803543577e+00 2.44 -3.807935723e+00 -3.807935723e+00 2.46 -3.806654783e+00 -3.806654783e+00 2.48 -3.800644170e+00 -3.800644170e+00 2.50 -3.790677617e+00 -3.790677617e+00 2.52 -3.776849020e+00 -3.776849020e+00 2.54 -3.759223150e+00 -3.759223150e+00 2.56 -3.737984232e+00 -3.737984232e+00 2.58 -3.713419241e+00 -3.713419241e+00 2.60 -3.685887904e+00 -3.685887904e+00 2.62 -3.656249446e+00 -3.656249446e+00 2.64 -3.625086730e+00 -3.625086730e+00 2.66 -3.593019376e+00 -3.593019376e+00 2.68 -3.560372025e+00 -3.560372025e+00 2.70 -3.527247383e+00 -3.527247383e+00 2.72 -3.493608069e+00 -3.493608069e+00 2.74 -3.459274766e+00 -3.459274766e+00 2.76 -3.423955125e+00 -3.423955125e+00 2.78 -3.387315884e+00 -3.387315884e+00 2.80 -3.348958067e+00 -3.348958067e+00 2.82 -3.308420325e+00 -3.308420325e+00 2.84 -3.265250011e+00 -3.265250011e+00 2.86 -3.219170189e+00 -3.219170189e+00 2.88 -3.169946540e+00 -3.169946540e+00 2.90 -3.117060631e+00 -3.117060631e+00 2.92 -3.060386226e+00 -3.060386226e+00 2.94 -2.999965255e+00 -2.999965255e+00 2.96 -2.935924744e+00 -2.935924744e+00 2.98 -2.868279145e+00 -2.868279145e+00 3.00 -2.797333117e+00 -2.797333117e+00 3.02 -2.723739711e+00 -2.723739711e+00 3.04 -2.646761512e+00 -2.646761512e+00 3.06 -2.567422092e+00 -2.567422092e+00 3.08 -2.486354479e+00 -2.486354479e+00 3.10 -2.403992254e+00 -2.403992254e+00 3.12 -2.320786788e+00 -2.320786788e+00 3.14 -2.246534720e+00 -2.246534720e+00 3.16 -2.170680109e+00 -2.170680109e+00 3.18 -2.099113238e+00 -2.099113238e+00 3.20 -2.032562411e+00 -2.032562411e+00 3.22 -1.971136949e+00 -1.971136949e+00 3.24 -1.914475795e+00 -1.914475795e+00 3.26 -1.861837775e+00 -1.861837775e+00 3.28 -1.812203139e+00 -1.812203139e+00 3.30 -1.764411784e+00 -1.764411784e+00 3.32 -1.717326877e+00 -1.717326877e+00 3.34 -1.669996941e+00 -1.669996941e+00 3.36 -1.621829249e+00 -1.621829249e+00 3.38 -1.572648496e+00 -1.572648496e+00 3.40 -1.522629208e+00 -1.522629208e+00 3.42 -1.472207950e+00 -1.472207950e+00 3.44 -1.421945906e+00 -1.421945906e+00 3.46 -1.372395359e+00 -1.372395359e+00 3.48 -1.323997544e+00 -1.323997544e+00 3.50 -1.277024714e+00 -1.277024714e+00 3.52 -1.231566223e+00 -1.231566223e+00 3.54 -1.187549114e+00 -1.187549114e+00 3.56 -1.144781469e+00 -1.144781469e+00 3.58 -1.103009506e+00 -1.103009506e+00 3.60 -1.061957995e+00 -1.061957995e+00 3.62 -1.021338721e+00 -1.021338721e+00 3.64 -9.808590660e-01 -9.808590660e-01 3.66 -9.402555091e-01 -9.402555091e-01 3.68 -9.057307315e-01 -9.057307315e-01 3.70 -8.678879294e-01 -8.678879294e-01 3.72 -8.304274090e-01 -8.304274090e-01 3.74 -7.932836768e-01 -7.932836768e-01 3.76 -7.563911126e-01 -7.563911126e-01 3.78 -7.196840080e-01 -7.196840080e-01 3.80 -6.830968830e-01 -6.830968830e-01 3.82 -6.465645211e-01 -6.465645211e-01 3.84 -6.100224911e-01 -6.100224911e-01 3.86 -5.734174332e-01 -5.734174332e-01 3.88 -5.367846305e-01 -5.367846305e-01 3.90 -5.002074445e-01 -5.002074445e-01 3.92 -4.637731938e-01 -4.637731938e-01 3.94 -4.275630035e-01 -4.275630035e-01 3.96 -3.916431977e-01 -3.916431977e-01 3.98 -3.560802671e-01 -3.560802671e-01 4.00 -3.209424123e-01 -3.209424123e-01 4.02 -2.866353699e-01 -2.866353699e-01 4.04 -2.553689284e-01 -2.553689284e-01 4.06 -2.294802914e-01 -2.294802914e-01 4.08 -2.106850761e-01 -2.106850761e-01 4.10 -2.001010047e-01 -2.001010047e-01 4.12 -1.982778892e-01 -1.982778892e-01 4.14 -2.052234809e-01 -2.052234809e-01 4.16 -2.204397487e-01 -2.204397487e-01 4.18 -2.429876460e-01 -2.429876460e-01 4.20 -2.715500007e-01 -2.715500007e-01 4.22 -3.045187170e-01 -3.045187170e-01 4.24 -3.400437690e-01 -3.400437690e-01 4.26 -3.760992697e-01 -3.760992697e-01 4.28 -4.105669196e-01 -4.105669196e-01 4.30 -4.413235884e-01 -4.413235884e-01 4.32 -4.663365103e-01 -4.663365103e-01 4.34 -4.837611748e-01 -4.837611748e-01 4.36 -4.920415639e-01 -4.920415639e-01 4.38 -4.900076859e-01 -4.900076859e-01 4.40 -4.769684945e-01 -4.769684945e-01 4.42 -4.526997274e-01 -4.526997274e-01 4.44 -4.167786605e-01 -4.167786605e-01 4.46 -3.691069082e-01 -3.691069082e-01 4.48 -3.102323928e-01 -3.102323928e-01 4.50 -2.408683948e-01 -2.408683948e-01 4.52 -1.622700210e-01 -1.622700210e-01 4.54 -7.635993740e-02 -7.635993740e-02 4.56 1.473837665e-02 1.473837665e-02 4.58 1.091517171e-01 1.091517171e-01 4.60 2.055150626e-01 2.055150626e-01 4.62 3.031285375e-01 3.031285375e-01 4.64 4.019848590e-01 4.019848590e-01 4.66 5.026546385e-01 5.026546385e-01 4.68 6.060507503e-01 6.060507503e-01 4.70 7.131297100e-01 7.131297100e-01 4.72 8.245943754e-01 8.245943754e-01 4.74 9.406601597e-01 9.406601597e-01 4.76 1.060919304e+00 1.060919304e+00 4.78 1.184313144e+00 1.184313144e+00 4.80 1.309178796e+00 1.309178796e+00 4.82 1.433334248e+00 1.433334248e+00 4.84 1.554207903e+00 1.554207903e+00 4.86 1.668981115e+00 1.668981115e+00 4.88 1.774723224e+00 1.774723224e+00 4.90 1.868522081e+00 1.868522081e+00 4.92 1.947597952e+00 1.947597952e+00 4.94 2.009407853e+00 2.009407853e+00 4.96 2.051737495e+00 2.051737495e+00 4.98 2.072784261e+00 2.072784261e+00 5.00 2.071234288e+00 2.071234288e+00 5.02 2.046326827e+00 2.046326827e+00 5.04 1.997916135e+00 1.997916135e+00 5.06 1.926518887e+00 1.926518887e+00 5.08 1.833356396e+00 1.833356396e+00 5.10 1.720387502e+00 1.720387502e+00 5.12 1.590307026e+00 1.590307026e+00 5.14 1.446509593e+00 1.446509593e+00 5.16 1.293003883e+00 1.293003883e+00 5.18 1.134276737e+00 1.134276737e+00 5.20 9.723387033e-01 9.723387033e-01 5.22 8.163378981e-01 8.163378981e-01 5.24 6.692466611e-01 6.692466611e-01 5.26 5.351722216e-01 5.351722216e-01 5.28 4.171267281e-01 4.171267281e-01 5.30 3.168495957e-01 3.168495957e-01 5.32 2.347569475e-01 2.347569475e-01 5.34 1.700357943e-01 1.700357943e-01 5.36 1.208795664e-01 1.208795664e-01 5.38 8.483084051e-02 8.483084051e-02 5.40 5.916918165e-02 5.916918165e-02 5.42 4.127023269e-02 4.127023269e-02 5.44 2.887257477e-02 2.887257477e-02 5.46 2.021569333e-02 2.021569333e-02 5.48 1.405288396e-02 1.405288396e-02 5.50 9.573477719e-03 9.573477719e-03 5.52 6.282390461e-03 6.282390461e-03 5.54 3.880996920e-03 3.880996920e-03 5.56 2.175215920e-03 2.175215920e-03 5.58 1.020561681e-03 1.020561681e-03 5.60 2.949322888e-04 2.949322888e-04 5.62 -1.101774307e-04 -1.101774307e-04 5.64 -2.902158365e-04 -2.902158365e-04 5.66 -3.256034553e-04 -3.256034553e-04 5.68 -2.803320312e-04 -2.803320312e-04 5.70 -2.018747580e-04 -2.018747580e-04 5.72 -1.221525844e-04 -1.221525844e-04 5.74 -5.943452477e-05 -5.943452477e-05 5.76 -2.053836123e-05 -2.053836123e-05 5.78 -3.432465836e-06 -3.432465836e-06 5.80 -1.395981793e-08 -1.395981793e-08 5.82 1.096363785e-06 1.096363785e-06 5.84 1.230178330e-05 1.230178330e-05 5.86 4.596467890e-05 4.596467890e-05 5.88 1.145367482e-04 1.145367482e-04 5.90 2.304319853e-04 2.304319853e-04 5.92 4.062612283e-04 4.062612283e-04 5.94 6.546851835e-04 6.546851835e-04 5.96 9.887618466e-04 9.887618466e-04 5.98 1.422294789e-03 1.422294789e-03 6.00 9.366558814e-04 9.483061523e-04