# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlCo2Cr # 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 -3.923815362e+02 -3.923815362e+02 1.04 -3.713213554e+02 -3.713213554e+02 1.06 -3.514766102e+02 -3.514766102e+02 1.08 -3.328209489e+02 -3.328209489e+02 1.10 -3.150485035e+02 -3.150485035e+02 1.12 -2.977884445e+02 -2.977884445e+02 1.14 -2.809720320e+02 -2.809720320e+02 1.16 -2.646919913e+02 -2.646919913e+02 1.18 -2.492949098e+02 -2.492949098e+02 1.20 -2.352317673e+02 -2.352317673e+02 1.22 -2.226284154e+02 -2.226284154e+02 1.24 -2.112408612e+02 -2.112408612e+02 1.26 -2.008354366e+02 -2.008354366e+02 1.28 -1.912774676e+02 -1.912774676e+02 1.30 -1.823974982e+02 -1.823974982e+02 1.32 -1.739684505e+02 -1.739684505e+02 1.34 -1.657893424e+02 -1.657893424e+02 1.36 -1.578268541e+02 -1.578268541e+02 1.38 -1.501420297e+02 -1.501420297e+02 1.40 -1.427102102e+02 -1.427102102e+02 1.42 -1.353828625e+02 -1.353828625e+02 1.44 -1.280312912e+02 -1.280312912e+02 1.46 -1.205720882e+02 -1.205720882e+02 1.48 -1.130119232e+02 -1.130119232e+02 1.50 -1.054592160e+02 -1.054592160e+02 1.52 -9.804642209e+01 -9.804642209e+01 1.54 -9.085558229e+01 -9.085558229e+01 1.56 -8.388626935e+01 -8.388626935e+01 1.58 -7.708362677e+01 -7.708362677e+01 1.60 -7.040222375e+01 -7.040222375e+01 1.62 -6.385786049e+01 -6.385786049e+01 1.64 -5.755087097e+01 -5.755087097e+01 1.66 -5.159027617e+01 -5.159027617e+01 1.68 -4.601899122e+01 -4.601899122e+01 1.70 -4.083315271e+01 -4.083315271e+01 1.72 -3.603076349e+01 -3.603076349e+01 1.74 -3.160933468e+01 -3.160933468e+01 1.76 -2.756056557e+01 -2.756056557e+01 1.78 -2.384715854e+01 -2.384715854e+01 1.80 -2.041472874e+01 -2.041472874e+01 1.82 -1.721375189e+01 -1.721375189e+01 1.84 -1.421823393e+01 -1.421823393e+01 1.86 -1.143397402e+01 -1.143397402e+01 1.88 -8.898220660e+00 -8.898220660e+00 1.90 -6.738466089e+00 -6.738466089e+00 1.92 -5.130846275e+00 -5.130846275e+00 1.94 -3.977259075e+00 -3.977259075e+00 1.96 -3.185112044e+00 -3.185112044e+00 1.98 -2.680438068e+00 -2.680438068e+00 2.00 -2.399387507e+00 -2.399387507e+00 2.02 -2.285295130e+00 -2.285295130e+00 2.04 -2.289303610e+00 -2.289303610e+00 2.06 -2.370960278e+00 -2.370960278e+00 2.08 -2.499724077e+00 -2.499724077e+00 2.10 -2.653336978e+00 -2.653336978e+00 2.12 -2.816513225e+00 -2.816513225e+00 2.14 -2.979367072e+00 -2.979367072e+00 2.16 -3.135339043e+00 -3.135339043e+00 2.18 -3.279693407e+00 -3.279693407e+00 2.20 -3.407617982e+00 -3.407617982e+00 2.22 -3.516162301e+00 -3.516162301e+00 2.24 -3.606549322e+00 -3.606549322e+00 2.26 -3.682104823e+00 -3.682104823e+00 2.28 -3.745188318e+00 -3.745188318e+00 2.30 -3.797372714e+00 -3.797372714e+00 2.32 -3.840018862e+00 -3.840018862e+00 2.34 -3.874356679e+00 -3.874356679e+00 2.36 -3.902169372e+00 -3.902169372e+00 2.38 -3.925802471e+00 -3.925802471e+00 2.40 -3.947911156e+00 -3.947911156e+00 2.42 -3.970943196e+00 -3.970943196e+00 2.44 -3.995761443e+00 -3.995761443e+00 2.46 -4.021813099e+00 -4.021813099e+00 2.48 -4.048193502e+00 -4.048193502e+00 2.50 -4.073822022e+00 -4.073822022e+00 2.52 -4.097124636e+00 -4.097124636e+00 2.54 -4.116002863e+00 -4.116002863e+00 2.56 -4.128286306e+00 -4.128286306e+00 2.58 -4.132412012e+00 -4.132412012e+00 2.60 -4.127867235e+00 -4.127867235e+00 2.62 -4.114819986e+00 -4.114819986e+00 2.64 -4.093689352e+00 -4.093689352e+00 2.66 -4.065037402e+00 -4.065037402e+00 2.68 -4.029387111e+00 -4.029387111e+00 2.70 -3.987260640e+00 -3.987260640e+00 2.72 -3.939208611e+00 -3.939208611e+00 2.74 -3.885823865e+00 -3.885823865e+00 2.76 -3.827831497e+00 -3.827831497e+00 2.78 -3.766150355e+00 -3.766150355e+00 2.80 -3.701858642e+00 -3.701858642e+00 2.82 -3.635970048e+00 -3.635970048e+00 2.84 -3.569197799e+00 -3.569197799e+00 2.86 -3.501921315e+00 -3.501921315e+00 2.88 -3.434146117e+00 -3.434146117e+00 2.90 -3.365667749e+00 -3.365667749e+00 2.92 -3.296416687e+00 -3.296416687e+00 2.94 -3.226312121e+00 -3.226312121e+00 2.96 -3.155369193e+00 -3.155369193e+00 2.98 -3.083814959e+00 -3.083814959e+00 3.00 -3.012061358e+00 -3.012061358e+00 3.02 -2.940642437e+00 -2.940642437e+00 3.04 -2.870122587e+00 -2.870122587e+00 3.06 -2.800757370e+00 -2.800757370e+00 3.08 -2.732374826e+00 -2.732374826e+00 3.10 -2.664624705e+00 -2.664624705e+00 3.12 -2.597211650e+00 -2.597211650e+00 3.14 -2.529952568e+00 -2.529952568e+00 3.16 -2.462762314e+00 -2.462762314e+00 3.18 -2.395640353e+00 -2.395640353e+00 3.20 -2.328688822e+00 -2.328688822e+00 3.22 -2.262020928e+00 -2.262020928e+00 3.24 -2.195728751e+00 -2.195728751e+00 3.26 -2.129927876e+00 -2.129927876e+00 3.28 -2.064847038e+00 -2.064847038e+00 3.30 -2.000684299e+00 -2.000684299e+00 3.32 -1.937567309e+00 -1.937567309e+00 3.34 -1.875564966e+00 -1.875564966e+00 3.36 -1.814706992e+00 -1.814706992e+00 3.38 -1.755001879e+00 -1.755001879e+00 3.40 -1.696454922e+00 -1.696454922e+00 3.42 -1.639135170e+00 -1.639135170e+00 3.44 -1.583127870e+00 -1.583127870e+00 3.46 -1.528516926e+00 -1.528516926e+00 3.48 -1.475377042e+00 -1.475377042e+00 3.50 -1.423765623e+00 -1.423765623e+00 3.52 -1.373721106e+00 -1.373721106e+00 3.54 -1.325278486e+00 -1.325278486e+00 3.56 -1.278453806e+00 -1.278453806e+00 3.58 -1.233230321e+00 -1.233230321e+00 3.60 -1.189557113e+00 -1.189557113e+00 3.62 -1.147370495e+00 -1.147370495e+00 3.64 -1.106596959e+00 -1.106596959e+00 3.66 -1.067170471e+00 -1.067170471e+00 3.68 -1.029027071e+00 -1.029027071e+00 3.70 -9.920965146e-01 -9.920965146e-01 3.72 -9.562852321e-01 -9.562852321e-01 3.74 -9.214780316e-01 -9.214780316e-01 3.76 -8.875570890e-01 -8.875570890e-01 3.78 -8.544036466e-01 -8.544036466e-01 3.80 -8.218984418e-01 -8.218984418e-01 3.82 -7.899217836e-01 -7.899217836e-01 3.84 -7.583537409e-01 -7.583537409e-01 3.86 -7.270782261e-01 -7.270782261e-01 3.88 -6.960152877e-01 -6.960152877e-01 3.90 -6.651070368e-01 -6.651070368e-01 3.92 -6.343005597e-01 -6.343005597e-01 3.94 -6.035511880e-01 -6.035511880e-01 3.96 -5.728272628e-01 -5.728272628e-01 3.98 -5.421067483e-01 -5.421067483e-01 4.00 -5.113773670e-01 -5.113773670e-01 4.02 -4.806368803e-01 -4.806368803e-01 4.04 -4.498937892e-01 -4.498937892e-01 4.06 -4.191670689e-01 -4.191670689e-01 4.08 -3.884882335e-01 -3.884882335e-01 4.10 -3.579025605e-01 -3.579025605e-01 4.12 -3.274661209e-01 -3.274661209e-01 4.14 -2.972344146e-01 -2.972344146e-01 4.16 -2.672560182e-01 -2.672560182e-01 4.18 -2.375874198e-01 -2.375874198e-01 4.20 -2.083015560e-01 -2.083015560e-01 4.22 -1.795219934e-01 -1.795219934e-01 4.24 -1.513936700e-01 -1.513936700e-01 4.26 -1.260090283e-01 -1.260090283e-01 4.28 -1.094099793e-01 -1.094099793e-01 4.30 -1.059437059e-01 -1.059437059e-01 4.32 -1.177188868e-01 -1.177188868e-01 4.34 -1.449806622e-01 -1.449806622e-01 4.36 -1.864711992e-01 -1.864711992e-01 4.38 -2.397712447e-01 -2.397712447e-01 4.40 -3.016220038e-01 -3.016220038e-01 4.42 -3.682414646e-01 -3.682414646e-01 4.44 -4.356236192e-01 -4.356236192e-01 4.46 -4.998201499e-01 -4.998201499e-01 4.48 -5.571943456e-01 -5.571943456e-01 4.50 -6.046422003e-01 -6.046422003e-01 4.52 -6.398109446e-01 -6.398109446e-01 4.54 -6.615563400e-01 -6.615563400e-01 4.56 -6.699058317e-01 -6.699058317e-01 4.58 -6.657524670e-01 -6.657524670e-01 4.60 -6.506661236e-01 -6.506661236e-01 4.62 -6.266815463e-01 -6.266815463e-01 4.64 -5.960580009e-01 -5.960580009e-01 4.66 -5.610445448e-01 -5.610445448e-01 4.68 -5.236733159e-01 -5.236733159e-01 4.70 -4.856106396e-01 -4.856106396e-01 4.72 -4.480758047e-01 -4.480758047e-01 4.74 -4.118298705e-01 -4.118298705e-01 4.76 -3.772230340e-01 -3.772230340e-01 4.78 -3.442735454e-01 -3.442735454e-01 4.80 -3.127875864e-01 -3.127875864e-01 4.82 -2.824879136e-01 -2.824879136e-01 4.84 -2.530978893e-01 -2.530978893e-01 4.86 -2.244085341e-01 -2.244085341e-01 4.88 -1.963193145e-01 -1.963193145e-01 4.90 -1.688513049e-01 -1.688513049e-01 4.92 -1.421369139e-01 -1.421369139e-01 4.94 -1.163920813e-01 -1.163920813e-01 4.96 -9.188915921e-02 -9.188915921e-02 4.98 -6.894729358e-02 -6.894729358e-02 5.00 -4.785352986e-02 -4.785352986e-02 5.02 -2.881277310e-02 -2.881277310e-02 5.04 -1.190072960e-02 -1.190072960e-02 5.06 2.910725989e-03 2.910725989e-03 5.08 1.569745935e-02 1.569745935e-02 5.10 2.654696376e-02 2.654696376e-02 5.12 3.555396905e-02 3.555396905e-02 5.14 4.281679619e-02 4.281679619e-02 5.16 4.843416796e-02 4.843416796e-02 5.18 5.250314548e-02 5.250314548e-02 5.20 5.511841721e-02 5.511841721e-02 5.22 5.637557951e-02 5.637557951e-02 5.24 5.638330670e-02 5.638330670e-02 5.26 5.525793101e-02 5.525793101e-02 5.28 5.312578356e-02 5.312578356e-02 5.30 5.012824747e-02 5.012824747e-02 5.32 4.642416027e-02 4.642416027e-02 5.34 4.218830984e-02 4.218830984e-02 5.36 3.760604181e-02 3.760604181e-02 5.38 3.286441022e-02 3.286441022e-02 5.40 2.814148343e-02 2.814148343e-02 5.42 2.359567461e-02 2.359567461e-02 5.44 1.935698858e-02 1.935698858e-02 5.46 1.552195236e-02 1.552195236e-02 5.48 1.215225466e-02 1.215225466e-02 5.50 9.277384140e-03 9.277384140e-03 5.52 6.899305559e-03 6.899305559e-03 5.54 4.993803638e-03 4.993803638e-03 5.56 3.510511607e-03 3.510511607e-03 5.58 2.389717222e-03 2.389717222e-03 5.60 1.569355005e-03 1.569355005e-03 5.62 9.894831339e-04 9.894831339e-04 5.64 5.951694233e-04 5.951694233e-04 5.66 3.386124046e-04 3.386124046e-04 5.68 1.801092901e-04 1.801092901e-04 5.70 8.799853000e-05 8.799853000e-05 5.72 3.837896525e-05 3.837896525e-05 5.74 1.417582028e-05 1.417582028e-05 5.76 3.942594784e-06 3.942594784e-06 5.78 5.686729919e-07 5.686729919e-07 5.80 -1.598373275e-08 -1.598373275e-08 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