# 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 = CuFeNi2 # 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 -4.396775256e+02 -4.396775256e+02 1.06 -4.147609745e+02 -4.147609745e+02 1.08 -3.916168585e+02 -3.916168585e+02 1.10 -3.699485558e+02 -3.699485558e+02 1.12 -3.492789033e+02 -3.492789033e+02 1.14 -3.293844783e+02 -3.293844783e+02 1.16 -3.102445600e+02 -3.102445600e+02 1.18 -2.918888006e+02 -2.918888006e+02 1.20 -2.747264295e+02 -2.747264295e+02 1.22 -2.589389560e+02 -2.589389560e+02 1.24 -2.444041895e+02 -2.444041895e+02 1.26 -2.309606769e+02 -2.309606769e+02 1.28 -2.187794605e+02 -2.187794605e+02 1.30 -2.074119586e+02 -2.074119586e+02 1.32 -1.966573810e+02 -1.966573810e+02 1.34 -1.863128524e+02 -1.863128524e+02 1.36 -1.764271290e+02 -1.764271290e+02 1.38 -1.669615791e+02 -1.669615791e+02 1.40 -1.579338212e+02 -1.579338212e+02 1.42 -1.490987418e+02 -1.490987418e+02 1.44 -1.402895541e+02 -1.402895541e+02 1.46 -1.315676769e+02 -1.315676769e+02 1.48 -1.228279991e+02 -1.228279991e+02 1.50 -1.141891036e+02 -1.141891036e+02 1.52 -1.057166071e+02 -1.057166071e+02 1.54 -9.741112927e+01 -9.741112927e+01 1.56 -8.922006783e+01 -8.922006783e+01 1.58 -8.113748901e+01 -8.113748901e+01 1.60 -7.312111806e+01 -7.312111806e+01 1.62 -6.521769565e+01 -6.521769565e+01 1.64 -5.757747115e+01 -5.757747115e+01 1.66 -5.037529345e+01 -5.037529345e+01 1.68 -4.363757266e+01 -4.363757266e+01 1.70 -3.736812195e+01 -3.736812195e+01 1.72 -3.154070603e+01 -3.154070603e+01 1.74 -2.619635570e+01 -2.619635570e+01 1.76 -2.130971370e+01 -2.130971370e+01 1.78 -1.682967367e+01 -1.682967367e+01 1.80 -1.283026078e+01 -1.283026078e+01 1.82 -9.470104256e+00 -9.470104256e+00 1.84 -6.757753716e+00 -6.757753716e+00 1.86 -4.732950393e+00 -4.732950393e+00 1.88 -3.338752925e+00 -3.338752925e+00 1.90 -2.420465272e+00 -2.420465272e+00 1.92 -1.846159125e+00 -1.846159125e+00 1.94 -1.518813815e+00 -1.518813815e+00 1.96 -1.375215168e+00 -1.375215168e+00 1.98 -1.370869187e+00 -1.370869187e+00 2.00 -1.473972675e+00 -1.473973105e+00 2.02 -1.654045319e+00 -1.654045319e+00 2.04 -1.881796342e+00 -1.881796342e+00 2.06 -2.136799450e+00 -2.136799450e+00 2.08 -2.399363798e+00 -2.399363798e+00 2.10 -2.653953264e+00 -2.653953264e+00 2.12 -2.890387620e+00 -2.890387620e+00 2.14 -3.098278082e+00 -3.098278082e+00 2.16 -3.282194769e+00 -3.282194769e+00 2.18 -3.439932245e+00 -3.439932245e+00 2.20 -3.570329917e+00 -3.570329917e+00 2.22 -3.673077354e+00 -3.673077354e+00 2.24 -3.752175691e+00 -3.752175691e+00 2.26 -3.815037240e+00 -3.815037240e+00 2.28 -3.868273352e+00 -3.868273352e+00 2.30 -3.916472852e+00 -3.916472852e+00 2.32 -3.961793862e+00 -3.961793862e+00 2.34 -4.000149615e+00 -4.000149615e+00 2.36 -4.033792057e+00 -4.033792057e+00 2.38 -4.060642302e+00 -4.060642302e+00 2.40 -4.078670908e+00 -4.078670908e+00 2.42 -4.089081414e+00 -4.089081414e+00 2.44 -4.091359041e+00 -4.091359041e+00 2.46 -4.085760759e+00 -4.085760759e+00 2.48 -4.073226459e+00 -4.073226459e+00 2.50 -4.055478802e+00 -4.055478802e+00 2.52 -4.033498595e+00 -4.033498595e+00 2.54 -4.007591003e+00 -4.007591003e+00 2.56 -3.977936916e+00 -3.977936916e+00 2.58 -3.944882110e+00 -3.944882110e+00 2.60 -3.908563563e+00 -3.908563563e+00 2.62 -3.869960722e+00 -3.869960722e+00 2.64 -3.829297700e+00 -3.829297700e+00 2.66 -3.786895989e+00 -3.786895989e+00 2.68 -3.742825502e+00 -3.742825502e+00 2.70 -3.697053425e+00 -3.697053425e+00 2.72 -3.649605651e+00 -3.649605651e+00 2.74 -3.600607280e+00 -3.600607280e+00 2.76 -3.550282285e+00 -3.550282285e+00 2.78 -3.498949003e+00 -3.498949003e+00 2.80 -3.446907631e+00 -3.446907631e+00 2.82 -3.394341958e+00 -3.394341958e+00 2.84 -3.341318335e+00 -3.341318335e+00 2.86 -3.287910862e+00 -3.287910862e+00 2.88 -3.234002548e+00 -3.234002548e+00 2.90 -3.179381167e+00 -3.179381167e+00 2.92 -3.124118842e+00 -3.124118842e+00 2.94 -3.068265164e+00 -3.068265164e+00 2.96 -3.011650395e+00 -3.011650395e+00 2.98 -2.953958353e+00 -2.953958353e+00 3.00 -2.892805746e+00 -2.892805744e+00 3.02 -2.825909008e+00 -2.825909008e+00 3.04 -2.752760442e+00 -2.752760442e+00 3.06 -2.671359258e+00 -2.671359258e+00 3.08 -2.580320567e+00 -2.580320567e+00 3.10 -2.478184062e+00 -2.478184062e+00 3.12 -2.363539022e+00 -2.363539022e+00 3.14 -2.237259872e+00 -2.237259872e+00 3.16 -2.096112359e+00 -2.096112359e+00 3.18 -1.940728085e+00 -1.940728085e+00 3.20 -1.770467638e+00 -1.770467638e+00 3.22 -1.584836997e+00 -1.584836997e+00 3.24 -1.387166362e+00 -1.387166362e+00 3.26 -1.183883367e+00 -1.183883367e+00 3.28 -9.813303105e-01 -9.813303105e-01 3.30 -7.852022822e-01 -7.852022822e-01 3.32 -5.999756724e-01 -5.999756724e-01 3.34 -4.284698070e-01 -4.284698070e-01 3.36 -2.719690113e-01 -2.719690113e-01 3.38 -1.304401842e-01 -1.304401842e-01 3.40 -2.817192506e-03 -2.817192506e-03 3.42 1.123798449e-01 1.123798449e-01 3.44 2.165654352e-01 2.165654352e-01 3.46 3.108177566e-01 3.108177566e-01 3.48 3.958102363e-01 3.958102363e-01 3.50 4.718774180e-01 4.718774180e-01 3.52 5.391426869e-01 5.391426869e-01 3.54 5.976521266e-01 5.976521266e-01 3.56 6.474819888e-01 6.474819888e-01 3.58 6.887971767e-01 6.887971767e-01 3.60 7.218666911e-01 7.218666911e-01 3.62 7.470646396e-01 7.470646396e-01 3.64 7.648644210e-01 7.648644210e-01 3.66 7.758156951e-01 7.758156951e-01 3.68 7.737469408e-01 7.737469408e-01 3.70 7.677984192e-01 7.677984192e-01 3.72 7.546626805e-01 7.546626805e-01 3.74 7.345439727e-01 7.345439727e-01 3.76 7.076474721e-01 7.076474721e-01 3.78 6.741775846e-01 6.741775846e-01 3.80 6.343368870e-01 6.343368870e-01 3.82 5.883246414e-01 5.883246414e-01 3.84 5.363360698e-01 5.363360698e-01 3.86 4.785747920e-01 4.785747920e-01 3.88 4.153693976e-01 4.153693976e-01 3.90 3.471683344e-01 3.471683344e-01 3.92 2.744944940e-01 2.744944940e-01 3.94 1.978920866e-01 1.978920866e-01 3.96 1.178653503e-01 1.178653503e-01 3.98 3.494583816e-02 3.494583816e-02 4.00 -5.030047130e-02 -5.030047130e-02 4.02 -1.372739591e-01 -1.372739591e-01 4.04 -2.243176426e-01 -2.243176426e-01 4.06 -2.875429774e-01 -2.875429774e-01 4.08 -2.893424567e-01 -2.893424567e-01 4.10 -2.027638755e-01 -2.027638755e-01 4.12 -1.169524174e-02 -1.169524174e-02 4.14 2.899323836e-01 2.899323836e-01 4.16 6.990548426e-01 6.990548426e-01 4.18 1.204494036e+00 1.204494036e+00 4.20 1.788093733e+00 1.788093733e+00 4.22 2.425960416e+00 2.425960416e+00 4.24 3.089833094e+00 3.089833094e+00 4.26 3.748569873e+00 3.748569873e+00 4.28 4.369740272e+00 4.369740272e+00 4.30 4.921257143e+00 4.921257143e+00 4.32 5.373133479e+00 5.373133479e+00 4.34 5.699226972e+00 5.699226972e+00 4.36 5.878954376e+00 5.878954376e+00 4.38 5.898923261e+00 5.898923261e+00 4.40 5.754322135e+00 5.754322135e+00 4.42 5.449971790e+00 5.449971790e+00 4.44 5.000824952e+00 5.000824952e+00 4.46 4.431762763e+00 4.431762763e+00 4.48 3.776481521e+00 3.776481521e+00 4.50 3.075337177e+00 3.075337177e+00 4.52 2.372364322e+00 2.372364322e+00 4.54 1.712634699e+00 1.712634699e+00 4.56 1.134859807e+00 1.134859807e+00 4.58 6.655869672e-01 6.655869672e-01 4.60 3.166564454e-01 3.166564454e-01 4.62 8.503179402e-02 8.503179402e-02 4.64 -4.483068062e-02 -4.483068062e-02 4.66 -9.650412047e-02 -9.650412047e-02 4.68 -9.612799017e-02 -9.612799017e-02 4.70 -6.743453605e-02 -6.743453605e-02 4.72 -2.846219697e-02 -2.846219697e-02 4.74 9.432286989e-03 9.432286989e-03 4.76 4.068326205e-02 4.068326205e-02 4.78 6.370391199e-02 6.370391199e-02 4.80 7.909293711e-02 7.909293711e-02 4.82 8.823016974e-02 8.823016974e-02 4.84 9.253221899e-02 9.253221899e-02 4.86 9.335508194e-02 9.335508194e-02 4.88 9.190828884e-02 9.190828884e-02 4.90 8.919119668e-02 8.919119668e-02 4.92 8.596451191e-02 8.596451191e-02 4.94 8.274280551e-02 8.274280551e-02 4.96 7.981195384e-02 7.981195384e-02 4.98 7.725784450e-02 7.725784450e-02 5.00 7.501725424e-02 7.501725424e-02 5.02 7.291641485e-02 7.291641485e-02 5.04 7.072306497e-02 7.072306497e-02 5.06 6.818984228e-02 6.818984228e-02 5.08 6.507784447e-02 6.507784447e-02 5.10 6.115927182e-02 6.115927182e-02 5.12 5.621812463e-02 5.621812463e-02 5.14 5.005402860e-02 5.005402860e-02 5.16 4.248334673e-02 4.248334673e-02 5.18 3.334420287e-02 3.334420287e-02 5.20 4.540220251e-02 4.540220251e-02 5.22 4.145488383e-02 4.145488383e-02 5.24 3.749225761e-02 3.749225761e-02 5.26 3.358662394e-02 3.358662394e-02 5.28 2.980330511e-02 2.980330511e-02 5.30 2.619690968e-02 2.619690968e-02 5.32 2.280841687e-02 2.280841687e-02 5.34 1.966535357e-02 1.966535357e-02 5.36 1.678337785e-02 1.678337785e-02 5.38 1.416733269e-02 1.416733269e-02 5.40 1.181560358e-02 1.181560358e-02 5.42 9.722635580e-03 9.722635580e-03 5.44 7.880125907e-03 7.880125907e-03 5.46 6.279503664e-03 6.279503664e-03 5.48 4.910615435e-03 4.910615435e-03 5.50 3.761273183e-03 3.761273183e-03 5.52 2.817231330e-03 2.817231330e-03 5.54 2.060063135e-03 2.060063135e-03 5.56 1.467865346e-03 1.467865346e-03 5.58 1.016252660e-03 1.016252660e-03 5.60 6.816774790e-04 6.816774790e-04 5.62 4.410807172e-04 4.410807172e-04 5.64 2.738600977e-04 2.738600977e-04 5.66 1.619452943e-04 1.619452943e-04 5.68 9.019301299e-05 9.019301299e-05 5.70 4.650450431e-05 4.650450431e-05 5.72 2.151410672e-05 2.151410672e-05 5.74 8.515940518e-06 8.515940518e-06 5.76 2.586763917e-06 2.586763917e-06 5.78 4.117303987e-07 4.117303987e-07 5.80 -4.582455154e-09 -4.582455154e-09 5.82 -8.326739244e-08 -8.326739244e-08 5.84 -1.238496720e-06 -1.238496720e-06 5.86 -4.871399079e-06 -4.871399079e-06 5.88 -1.219165139e-05 -1.219165139e-05 5.90 -2.459683795e-05 -2.459683795e-05 5.92 -4.346596735e-05 -4.346596735e-05 5.94 -6.999771090e-05 -6.999771090e-05 5.96 -1.053661046e-04 -1.053661046e-04 5.98 -1.508949684e-04 -1.508949684e-04 6.00 -1.094686640e-04 -9.066610726e-05