# 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 = AlFeNi2 # 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 -4.356840610e+02 -4.356840610e+02 1.04 -4.110813181e+02 -4.110813181e+02 1.06 -3.880699446e+02 -3.880699446e+02 1.08 -3.664743598e+02 -3.664743598e+02 1.10 -3.461229774e+02 -3.461229774e+02 1.12 -3.269483842e+02 -3.269483842e+02 1.14 -3.087879747e+02 -3.087879747e+02 1.16 -2.913883963e+02 -2.913883963e+02 1.18 -2.746996692e+02 -2.746996692e+02 1.20 -2.588203214e+02 -2.588203214e+02 1.22 -2.439357658e+02 -2.439357658e+02 1.24 -2.303401615e+02 -2.303401615e+02 1.26 -2.182178325e+02 -2.182178325e+02 1.28 -2.074464680e+02 -2.074464680e+02 1.30 -1.976827284e+02 -1.976827284e+02 1.32 -1.886250722e+02 -1.886250722e+02 1.34 -1.800748794e+02 -1.800748794e+02 1.36 -1.718562132e+02 -1.718562132e+02 1.38 -1.637790023e+02 -1.637790023e+02 1.40 -1.556968431e+02 -1.556968431e+02 1.42 -1.475318638e+02 -1.475318638e+02 1.44 -1.392756908e+02 -1.392756908e+02 1.46 -1.309367485e+02 -1.309367485e+02 1.48 -1.225511202e+02 -1.225511202e+02 1.50 -1.142080929e+02 -1.142080929e+02 1.52 -1.059882353e+02 -1.059882353e+02 1.54 -9.793009852e+01 -9.793009852e+01 1.56 -9.007228243e+01 -9.007228243e+01 1.58 -8.250419356e+01 -8.250419356e+01 1.60 -7.533961461e+01 -7.533961461e+01 1.62 -6.863785145e+01 -6.863785145e+01 1.64 -6.240953040e+01 -6.240953040e+01 1.66 -5.664771721e+01 -5.664771721e+01 1.68 -5.132829152e+01 -5.132829152e+01 1.70 -4.640924249e+01 -4.640924249e+01 1.72 -4.184073631e+01 -4.184073631e+01 1.74 -3.756522603e+01 -3.756522603e+01 1.76 -3.354831933e+01 -3.354831933e+01 1.78 -2.977629098e+01 -2.977629098e+01 1.80 -2.624641864e+01 -2.624641864e+01 1.82 -2.295565697e+01 -2.295565697e+01 1.84 -1.988925939e+01 -1.988925939e+01 1.86 -1.702487961e+01 -1.702487961e+01 1.88 -1.440792274e+01 -1.440792274e+01 1.90 -1.212923153e+01 -1.212923153e+01 1.92 -1.014060658e+01 -1.014060658e+01 1.94 -8.394652711e+00 -8.394652711e+00 1.96 -6.876001170e+00 -6.876001170e+00 1.98 -5.711378124e+00 -5.711378124e+00 2.00 -4.851979679e+00 -4.851979679e+00 2.02 -4.231164880e+00 -4.231164880e+00 2.04 -3.800458209e+00 -3.800458209e+00 2.06 -3.522316586e+00 -3.522316586e+00 2.08 -3.365193924e+00 -3.365193924e+00 2.10 -3.301602092e+00 -3.301602092e+00 2.12 -3.307615972e+00 -3.307615972e+00 2.14 -3.362248890e+00 -3.362248890e+00 2.16 -3.447171920e+00 -3.447171920e+00 2.18 -3.546588598e+00 -3.546588598e+00 2.20 -3.646759737e+00 -3.646759737e+00 2.22 -3.737812719e+00 -3.737812719e+00 2.24 -3.815319507e+00 -3.815319507e+00 2.26 -3.877342843e+00 -3.877342843e+00 2.28 -3.925781345e+00 -3.925781345e+00 2.30 -3.964232188e+00 -3.964232188e+00 2.32 -3.996073486e+00 -3.996073486e+00 2.34 -4.023792641e+00 -4.023792641e+00 2.36 -4.048657127e+00 -4.048657127e+00 2.38 -4.070459413e+00 -4.070459413e+00 2.40 -4.089045015e+00 -4.089045015e+00 2.42 -4.104325766e+00 -4.104325766e+00 2.44 -4.116517881e+00 -4.116517881e+00 2.46 -4.125943729e+00 -4.125943729e+00 2.48 -4.132972790e+00 -4.132972790e+00 2.50 -4.137922294e+00 -4.137922294e+00 2.52 -4.140324128e+00 -4.140324128e+00 2.54 -4.139244165e+00 -4.139244165e+00 2.56 -4.133913868e+00 -4.133913868e+00 2.58 -4.123558056e+00 -4.123558056e+00 2.60 -4.107808319e+00 -4.107808319e+00 2.62 -4.086560599e+00 -4.086560599e+00 2.64 -4.059978667e+00 -4.059978667e+00 2.66 -4.028425007e+00 -4.028425007e+00 2.68 -3.992049701e+00 -3.992049701e+00 2.70 -3.950907966e+00 -3.950907966e+00 2.72 -3.905102124e+00 -3.905102124e+00 2.74 -3.854788542e+00 -3.854788542e+00 2.76 -3.800174244e+00 -3.800174244e+00 2.78 -3.741680532e+00 -3.741680532e+00 2.80 -3.679875702e+00 -3.679875702e+00 2.82 -3.615361499e+00 -3.615361499e+00 2.84 -3.548663328e+00 -3.548663328e+00 2.86 -3.480218035e+00 -3.480218035e+00 2.88 -3.410338748e+00 -3.410338748e+00 2.90 -3.339305663e+00 -3.339305663e+00 2.92 -3.267583665e+00 -3.267583665e+00 2.94 -3.195668409e+00 -3.195668409e+00 2.96 -3.124087098e+00 -3.124087098e+00 2.98 -3.053446271e+00 -3.053446271e+00 3.00 -2.984449041e+00 -2.984449041e+00 3.02 -2.917892932e+00 -2.917892932e+00 3.04 -2.854608435e+00 -2.854608435e+00 3.06 -2.795129445e+00 -2.795129445e+00 3.08 -2.739698309e+00 -2.739698309e+00 3.10 -2.688423373e+00 -2.688423373e+00 3.12 -2.641427896e+00 -2.641427896e+00 3.14 -2.596250237e+00 -2.596250237e+00 3.16 -2.546725248e+00 -2.546725248e+00 3.18 -2.486344435e+00 -2.486344435e+00 3.20 -2.408720712e+00 -2.408720712e+00 3.22 -2.307750882e+00 -2.307750882e+00 3.24 -2.178070929e+00 -2.178070929e+00 3.26 -2.015696745e+00 -2.015696745e+00 3.28 -1.818664702e+00 -1.818664702e+00 3.30 -1.589575738e+00 -1.589575738e+00 3.32 -1.343475012e+00 -1.343475012e+00 3.34 -1.096282221e+00 -1.096282221e+00 3.36 -8.595071443e-01 -8.595071443e-01 3.38 -6.401784681e-01 -6.401784681e-01 3.40 -4.416628254e-01 -4.416628254e-01 3.42 -2.649581992e-01 -2.649581992e-01 3.44 -1.098502719e-01 -1.098502719e-01 3.46 2.425803474e-02 2.425803474e-02 3.48 1.379306473e-01 1.379306473e-01 3.50 2.316172625e-01 2.316172625e-01 3.52 3.057512089e-01 3.057512089e-01 3.54 3.608843500e-01 3.608843500e-01 3.56 3.978742312e-01 3.978742312e-01 3.58 4.179490051e-01 4.179490051e-01 3.60 4.226132146e-01 4.226132146e-01 3.62 4.135648332e-01 4.135648332e-01 3.64 3.926467746e-01 3.926467746e-01 3.66 3.617956141e-01 3.617956141e-01 3.68 3.230083785e-01 3.230083785e-01 3.70 2.782990892e-01 2.782990892e-01 3.72 2.294624089e-01 2.294624089e-01 3.74 1.779726660e-01 1.779726660e-01 3.76 1.250972625e-01 1.250972625e-01 3.78 7.190135545e-02 7.190135545e-02 3.80 1.925304352e-02 1.925304352e-02 3.82 -3.216866816e-02 -3.216866816e-02 3.84 -8.186299452e-02 -8.186299452e-02 3.86 -1.294699741e-01 -1.294699741e-01 3.88 -1.745568330e-01 -1.745568330e-01 3.90 -2.166795817e-01 -2.166795817e-01 3.92 -2.554781725e-01 -2.554781725e-01 3.94 -2.903948069e-01 -2.903948069e-01 3.96 -3.175530327e-01 -3.175530327e-01 3.98 -3.338524373e-01 -3.338524373e-01 4.00 -3.391369465e-01 -3.391369465e-01 4.02 -3.349931608e-01 -3.349931608e-01 4.04 -3.238537410e-01 -3.238537410e-01 4.06 -3.083705416e-01 -3.083705416e-01 4.08 -2.910067532e-01 -2.910067532e-01 4.10 -2.737964869e-01 -2.737964869e-01 4.12 -2.582290870e-01 -2.582290870e-01 4.14 -2.452313741e-01 -2.452313741e-01 4.16 -2.352139742e-01 -2.352139742e-01 4.18 -2.281484913e-01 -2.281484913e-01 4.20 -2.236768085e-01 -2.236768085e-01 4.22 -2.212352038e-01 -2.212352038e-01 4.24 -2.201491371e-01 -2.201491371e-01 4.26 -2.197189021e-01 -2.197189021e-01 4.28 -2.192918023e-01 -2.192918023e-01 4.30 -2.183129734e-01 -2.183129734e-01 4.32 -2.163684551e-01 -2.163684551e-01 4.34 -2.131971866e-01 -2.131971866e-01 4.36 -2.086354800e-01 -2.086354800e-01 4.38 -2.026241492e-01 -2.026241492e-01 4.40 -1.951521524e-01 -1.951521524e-01 4.42 -1.862325904e-01 -1.862325904e-01 4.44 -1.758911850e-01 -1.758911850e-01 4.46 -1.641640007e-01 -1.641640007e-01 4.48 -1.511020986e-01 -1.511020986e-01 4.50 -1.367814040e-01 -1.367814040e-01 4.52 -1.213165014e-01 -1.213165014e-01 4.54 -1.048785205e-01 -1.048785205e-01 4.56 -8.771053123e-02 -8.771053123e-02 4.58 -7.012709077e-02 -7.012709077e-02 4.60 -5.250646108e-02 -5.250646108e-02 4.62 -3.527403793e-02 -3.527403793e-02 4.64 -1.887516518e-02 -1.887516518e-02 4.66 -3.739980591e-03 -3.739980591e-03 4.68 9.755306446e-03 9.755306446e-03 4.70 2.131894162e-02 2.131894162e-02 4.72 3.077098177e-02 3.077098177e-02 4.74 3.804958845e-02 3.804958845e-02 4.76 4.318239705e-02 4.318239705e-02 4.78 4.629713113e-02 4.629713113e-02 4.80 4.762102250e-02 4.762102250e-02 4.82 4.743206782e-02 4.743206782e-02 4.84 4.603466059e-02 4.603466059e-02 4.86 4.373317636e-02 4.373317636e-02 4.88 4.081066331e-02 4.081066331e-02 4.90 3.751445800e-02 3.751445800e-02 4.92 3.404806512e-02 3.404806512e-02 4.94 3.057004672e-02 3.057004672e-02 4.96 2.719495733e-02 2.719495733e-02 4.98 2.400152831e-02 2.400152831e-02 5.00 2.104093154e-02 2.104093154e-02 5.02 1.834193566e-02 1.834193566e-02 5.04 1.591452242e-02 1.591452242e-02 5.06 1.375638289e-02 1.375638289e-02 5.08 1.185949261e-02 1.185949261e-02 5.10 1.021508715e-02 1.021508715e-02 5.12 8.812445373e-03 8.812445373e-03 5.14 7.639150341e-03 7.639150341e-03 5.16 6.680824283e-03 6.680824283e-03 5.18 5.920510368e-03 5.920510368e-03 5.20 5.338343198e-03 5.338343198e-03 5.22 4.912945792e-03 4.912945792e-03 5.24 4.629349705e-03 4.629349705e-03 5.26 4.472078274e-03 4.472078274e-03 5.28 4.421478406e-03 4.421478406e-03 5.30 4.454132395e-03 4.454132395e-03 5.32 4.544167528e-03 4.544167528e-03 5.34 4.663209439e-03 4.663209439e-03 5.36 4.782538783e-03 4.782538783e-03 5.38 4.874507168e-03 4.874507168e-03 5.40 4.914746011e-03 4.914746011e-03 5.42 4.883797810e-03 4.883797810e-03 5.44 4.769197368e-03 4.769197368e-03 5.46 4.566758233e-03 4.566758233e-03 5.48 4.279993982e-03 4.279993982e-03 5.50 3.923121152e-03 3.923121152e-03 5.52 3.517563605e-03 3.517563605e-03 5.54 3.084438959e-03 3.084438959e-03 5.56 2.638377524e-03 2.638377524e-03 5.58 2.194154154e-03 2.194154154e-03 5.60 1.767352583e-03 1.767352583e-03 5.62 1.372283928e-03 1.372283928e-03 5.64 1.020566369e-03 1.020566369e-03 5.66 7.205014171e-04 7.205014171e-04 5.68 4.764785800e-04 4.764785800e-04 5.70 2.893736814e-04 2.893736814e-04 5.72 1.558799914e-04 1.558799914e-04 5.74 7.001179396e-05 7.001179396e-05 5.76 2.300350149e-05 2.300350149e-05 5.78 3.738694549e-06 3.738694549e-06 5.80 7.812459359e-09 7.812459359e-09 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