# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Cr-Co # implementation = 2025--Sharifi-H--Cu-Cr-Co--LAMMPS--ipr1 # composition = CoCrCu2 # 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 2025-07-01 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 5.407184566e+02 5.407184566e+02 1.00 4.949134589e+02 4.949134589e+02 1.02 4.523038154e+02 4.523038154e+02 1.04 4.128290464e+02 4.128290464e+02 1.06 3.763848543e+02 3.763848543e+02 1.08 3.428376302e+02 3.428376302e+02 1.10 3.120188005e+02 3.120188005e+02 1.12 2.837107174e+02 2.837107174e+02 1.14 2.577844976e+02 2.577844976e+02 1.16 2.341048722e+02 2.341048722e+02 1.18 2.125256838e+02 2.125256838e+02 1.20 1.928963499e+02 1.928963499e+02 1.22 1.750665497e+02 1.750665497e+02 1.24 1.588895431e+02 1.588895431e+02 1.26 1.442244513e+02 1.442244513e+02 1.28 1.309377453e+02 1.309377453e+02 1.30 1.189041403e+02 1.189041403e+02 1.32 1.080070430e+02 1.080070430e+02 1.34 9.813868976e+01 9.813868976e+01 1.36 8.920005808e+01 8.920005808e+01 1.38 8.110058172e+01 8.110058172e+01 1.40 7.375775693e+01 7.375775693e+01 1.42 6.709666475e+01 6.709666475e+01 1.44 6.104944814e+01 6.104944814e+01 1.46 5.555480408e+01 5.555480408e+01 1.48 5.055747803e+01 5.055747803e+01 1.50 4.600776706e+01 4.600776706e+01 1.52 4.186104094e+01 4.186104094e+01 1.54 3.807728396e+01 3.807728396e+01 1.56 3.462064488e+01 3.462064488e+01 1.58 3.145904748e+01 3.145904748e+01 1.60 2.856384017e+01 2.856384017e+01 1.62 2.590945062e+01 2.590945062e+01 1.64 2.347306777e+01 2.347306777e+01 1.66 2.123435405e+01 2.123435405e+01 1.68 1.917518426e+01 1.917518426e+01 1.70 1.727940888e+01 1.727940888e+01 1.72 1.553264025e+01 1.553264025e+01 1.74 1.392205973e+01 1.392205973e+01 1.76 1.243621446e+01 1.243621446e+01 1.78 1.106486428e+01 1.106486428e+01 1.80 9.798909445e+00 9.798909445e+00 1.82 8.630209627e+00 8.630209627e+00 1.84 7.551441364e+00 7.551441364e+00 1.86 6.556006097e+00 6.556006097e+00 1.88 5.637910952e+00 5.637910952e+00 1.90 4.791623659e+00 4.791623659e+00 1.92 4.012006054e+00 4.012006054e+00 1.94 3.294286809e+00 3.294286809e+00 1.96 2.634037027e+00 2.634037027e+00 1.98 2.027147681e+00 2.027147681e+00 2.00 1.469808719e+00 1.469808719e+00 2.02 9.584896589e-01 9.584896589e-01 2.04 4.899210879e-01 4.899210879e-01 2.06 6.107185387e-02 6.107185387e-02 2.08 -3.308753469e-01 -3.308753469e-01 2.10 -6.885406277e-01 -6.885406277e-01 2.12 -1.014361254e+00 -1.014361254e+00 2.14 -1.310604900e+00 -1.310604900e+00 2.16 -1.579381899e+00 -1.579381899e+00 2.18 -1.822656534e+00 -1.822656534e+00 2.20 -2.042257500e+00 -2.042257500e+00 2.22 -2.239887581e+00 -2.239887581e+00 2.24 -2.417136868e+00 -2.417136868e+00 2.26 -2.575495988e+00 -2.575495988e+00 2.28 -2.716353007e+00 -2.716353007e+00 2.30 -2.840999132e+00 -2.840999132e+00 2.32 -2.950635207e+00 -2.950635207e+00 2.34 -3.046347448e+00 -3.046347448e+00 2.36 -3.129102613e+00 -3.129102613e+00 2.38 -3.199806565e+00 -3.199806565e+00 2.40 -3.259312434e+00 -3.259312434e+00 2.42 -3.308423443e+00 -3.308423443e+00 2.44 -3.347895590e+00 -3.347895590e+00 2.46 -3.378440184e+00 -3.378440184e+00 2.48 -3.400726259e+00 -3.400726259e+00 2.50 -3.415383338e+00 -3.415383338e+00 2.52 -3.423013689e+00 -3.423013689e+00 2.54 -3.424191902e+00 -3.424191902e+00 2.56 -3.419455233e+00 -3.419455233e+00 2.58 -3.409305441e+00 -3.409305441e+00 2.60 -3.394211007e+00 -3.394211007e+00 2.62 -3.374609205e+00 -3.374609205e+00 2.64 -3.350908051e+00 -3.350908051e+00 2.66 -3.323488125e+00 -3.323488125e+00 2.68 -3.292704281e+00 -3.292704281e+00 2.70 -3.258887247e+00 -3.258887247e+00 2.72 -3.222345134e+00 -3.222345134e+00 2.74 -3.183364839e+00 -3.183364839e+00 2.76 -3.142213374e+00 -3.142213374e+00 2.78 -3.099139100e+00 -3.099139100e+00 2.80 -3.054372900e+00 -3.054372900e+00 2.82 -3.008129265e+00 -3.008129265e+00 2.84 -2.960607323e+00 -2.960607323e+00 2.86 -2.911991803e+00 -2.911991803e+00 2.88 -2.862453938e+00 -2.862453938e+00 2.90 -2.812152315e+00 -2.812152315e+00 2.92 -2.761233670e+00 -2.761233670e+00 2.94 -2.709833642e+00 -2.709833642e+00 2.96 -2.658077473e+00 -2.658077473e+00 2.98 -2.606080667e+00 -2.606080667e+00 3.00 -2.553949617e+00 -2.553949617e+00 3.02 -2.501782180e+00 -2.501782180e+00 3.04 -2.449668234e+00 -2.449668234e+00 3.06 -2.397690184e+00 -2.397690184e+00 3.08 -2.345923451e+00 -2.345923451e+00 3.10 -2.294436925e+00 -2.294436925e+00 3.12 -2.243293391e+00 -2.243293391e+00 3.14 -2.192549932e+00 -2.192549932e+00 3.16 -2.142258302e+00 -2.142258302e+00 3.18 -2.092465285e+00 -2.092465285e+00 3.20 -2.043213025e+00 -2.043213025e+00 3.22 -1.994539336e+00 -1.994539336e+00 3.24 -1.946477999e+00 -1.946477999e+00 3.26 -1.899059039e+00 -1.899059039e+00 3.28 -1.852308979e+00 -1.852308979e+00 3.30 -1.806251085e+00 -1.806251085e+00 3.32 -1.760905596e+00 -1.760905596e+00 3.34 -1.716289939e+00 -1.716289939e+00 3.36 -1.672418924e+00 -1.672418924e+00 3.38 -1.629304941e+00 -1.629304941e+00 3.40 -1.586958133e+00 -1.586958133e+00 3.42 -1.545386562e+00 -1.545386562e+00 3.44 -1.504596365e+00 -1.504596365e+00 3.46 -1.464591904e+00 -1.464591904e+00 3.48 -1.425375898e+00 -1.425375898e+00 3.50 -1.386949555e+00 -1.386949555e+00 3.52 -1.349312693e+00 -1.349312693e+00 3.54 -1.312463848e+00 -1.312463848e+00 3.56 -1.276400388e+00 -1.276400388e+00 3.58 -1.241118604e+00 -1.241118604e+00 3.60 -1.206613809e+00 -1.206613809e+00 3.62 -1.172880420e+00 -1.172880420e+00 3.64 -1.139912043e+00 -1.139912043e+00 3.66 -1.107701546e+00 -1.107701546e+00 3.68 -1.076241131e+00 -1.076241131e+00 3.70 -1.045522403e+00 -1.045522403e+00 3.72 -1.015536425e+00 -1.015536425e+00 3.74 -9.862737845e-01 -9.862737845e-01 3.76 -9.577246395e-01 -9.577246395e-01 3.78 -9.298787736e-01 -9.298787736e-01 3.80 -9.027256407e-01 -9.027256407e-01 3.82 -8.762544092e-01 -8.762544092e-01 3.84 -8.504540019e-01 -8.504540019e-01 3.86 -8.253131340e-01 -8.253131340e-01 3.88 -8.008203478e-01 -8.008203478e-01 3.90 -7.769640453e-01 -7.769640453e-01 3.92 -7.537325179e-01 -7.537325179e-01 3.94 -7.311139742e-01 -7.311139742e-01 3.96 -7.090965660e-01 -7.090965660e-01 3.98 -6.876684116e-01 -6.876684116e-01 4.00 -6.668176180e-01 -6.668176180e-01 4.02 -6.465323006e-01 -6.465323006e-01 4.04 -6.268006022e-01 -6.268006022e-01 4.06 -6.076107098e-01 -6.076107098e-01 4.08 -5.889508698e-01 -5.889508698e-01 4.10 -5.708094029e-01 -5.708094029e-01 4.12 -5.531747164e-01 -5.531747164e-01 4.14 -5.360353165e-01 -5.360353165e-01 4.16 -5.193798186e-01 -5.193798186e-01 4.18 -5.031969572e-01 -5.031969572e-01 4.20 -4.874755947e-01 -4.874755947e-01 4.22 -4.722047289e-01 -4.722047289e-01 4.24 -4.573735002e-01 -4.573735002e-01 4.26 -4.428820871e-01 -4.428820871e-01 4.28 -4.269428845e-01 -4.269428845e-01 4.30 -4.046161970e-01 -4.046161970e-01 4.32 -3.736884742e-01 -3.736884742e-01 4.34 -3.563182049e-01 -3.563182049e-01 4.36 -3.451566372e-01 -3.451566372e-01 4.38 -3.343212321e-01 -3.343212321e-01 4.40 -3.238036034e-01 -3.238036034e-01 4.42 -3.135955207e-01 -3.135955207e-01 4.44 -3.036889104e-01 -3.036889104e-01 4.46 -2.940758561e-01 -2.940758561e-01 4.48 -2.847485986e-01 -2.847485986e-01 4.50 -2.756995356e-01 -2.756995356e-01 4.52 -2.669212215e-01 -2.669212215e-01 4.54 -2.584063669e-01 -2.584063669e-01 4.56 -2.501478376e-01 -2.501478376e-01 4.58 -2.421386538e-01 -2.421386538e-01 4.60 -2.343719886e-01 -2.343719886e-01 4.62 -2.268411673e-01 -2.268411673e-01 4.64 -2.195396656e-01 -2.195396656e-01 4.66 -2.124611080e-01 -2.124611080e-01 4.68 -2.055992662e-01 -2.055992662e-01 4.70 -1.989480578e-01 -1.989480578e-01 4.72 -1.925015436e-01 -1.925015436e-01 4.74 -1.862539264e-01 -1.862539264e-01 4.76 -1.801995487e-01 -1.801995487e-01 4.78 -1.743328908e-01 -1.743328908e-01 4.80 -1.686485683e-01 -1.686485683e-01 4.82 -1.631413305e-01 -1.631413305e-01 4.84 -1.578060578e-01 -1.578060578e-01 4.86 -1.526377598e-01 -1.526377598e-01 4.88 -1.476315726e-01 -1.476315726e-01 4.90 -1.427827570e-01 -1.427827570e-01 4.92 -1.377937967e-01 -1.377937967e-01 4.94 -1.290160083e-01 -1.290160083e-01 4.96 -1.070688792e-01 -1.070688792e-01 4.98 -5.919728563e-02 -5.919728563e-02 5.00 -4.205038265e-23 -4.199816248e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 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